A0A060X9R1_ONCMY Loading...

Tumor susceptibility 101a

AlphaFold DB (A0A1S3KL34), UniProt , Accession A0A060X9R1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tsg101a, Length 390 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low70.9Confident228 Ų22897.4 Ų97.4100%1.12356%0.555SS**  0121.20-67.2178.4-162.500107.4V3M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 2.67Å
2A37.3Very low72.4Confident103 Ų10393.6 Ų93.685%0.85153%0.53SS*.  trans-73.889.4174.800000108.2V4A2-V4 PolarHBondContact O-N 3.01Å; A2-V4 VanDerWaalsContact O-N 3.16Å
3V50.7Low73.9Confident126 Ų12686.4 Ų86.476%0.76449%0.489SS*.  trans-71.6104.9172.9-175.60000105.9M1 N5M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 2.67Å; V3-N5 PolarHBondContact O-N 3.41Å; V3-N5 VanDerWaalsContact O-N 3.11Å
4V60.8Low75.1Confident62 Ų6292.6 Ų92.638%0.37651%0.508SS..  trans-62.4118171.1175.40000106.8A2 E6 L9 I30 P38A2-V4 PolarHBondContact O-N 3.01Å; A2-V4 VanDerWaalsContact O-N 3.16Å; V4-E6 PolarHBondContact O-N 2.98Å; V4-L9 HydrophobicContact CG1-CD1 3.67Å; V4-L9 HydrophobicContact CG1-CG 3.97Å; V4-I30 HydrophobicContact CB-CD1 3.63Å; V4-I30 HydrophobicContact CG1-CD1 3.74Å; V4-I30 HydrophobicContact CG2-CD1 3.72Å; V4-I30 HydrophobicContact CG2-CG1 4.44Å; V4-P38 HydrophobicContact CG1-CG 4.38Å
5N76.9Confident76.1Confident109 Ų10997.5 Ų97.558%0.58353%0.526SS*.  trans-68106.3-176.2-176-10.7000108.7V3 G7 A8 L9V3-N5 PolarHBondContact O-N 3.41Å; V3-N5 VanDerWaalsContact O-N 3.11Å; N5-G7 PolarHBondContact O-N 3.08Å; N5-G7 VanDerWaalsContact O-N 3.11Å; N5-G7 PolarHBondContact OD1-N 3.21Å; N5-A8 HydrophobicContact CB-CB 4.08Å; N5-A8 WeakPolarHBondContact O-CA 3.45Å; N5-A8 WeakPolarHBondContact O-CB 3.44Å; N5-A8 PolarHBondContact O-N 3Å; N5-L9 PolarHBondContact O-N 3.17Å
6E80.8Confident77.3Confident97 Ų9792.3 Ų92.345%0.45350%0.497SS..Hα-helixtrans-53.6-32.1178.6-162.8-169.6144.500111.8V4 A8 L9 K10 V23V4-E6 PolarHBondContact O-N 2.98Å; E6-A8 PolarHBondContact O-N 3.34Å; E6-L9 PolarHBondContact O-N 3.22Å; E6-K10 WeakPolarHBondContact O-CG 3.44Å; E6-K10 PolarHBondContact O-N 3.47Å; E6-K10 WeakPolarHBondContact OE1-CE 3.42Å; E6-K10 IonicContact OE1-NZ 2.72Å; E6-K10 PolarHBondContact OE1-NZ 3.21Å; E6-V23 HydrophobicContact CG-CG1 3.6Å
7G82Confident78.3Confident45 Ų4595.6 Ų95.646%0.46451%0.505SS..Hα-helixtrans-64.5-36173.800000113.5N5 K11N5-G7 PolarHBondContact O-N 3.08Å; N5-G7 VanDerWaalsContact O-N 3.11Å; N5-G7 PolarHBondContact OD1-N 3.21Å; G7-K11 PolarHBondContact O-N 3.38Å; G7-K11 VanDerWaalsContact O-N 3.13Å
8A86.2Confident79.3Confident46 Ų4694 Ų9438%0.3849%0.492SS..Hα-helixtrans-69.3-42174.800000111.3N5 E6 K11 M12N5-A8 HydrophobicContact CB-CB 4.08Å; N5-A8 WeakPolarHBondContact O-CA 3.45Å; N5-A8 WeakPolarHBondContact O-CB 3.44Å; N5-A8 PolarHBondContact O-N 3Å; E6-A8 PolarHBondContact O-N 3.34Å; A8-K11 WeakPolarHBondContact O-CB 3.17Å; A8-K11 PolarHBondContact O-N 2.85Å; A8-K11 VanDerWaalsContact O-N 3.17Å; A8-M12 WeakPolarHBondContact O-CG 3.37Å; A8-M12 PolarHBondContact O-N 3.4Å
9L89.2Confident80.1Confident2 Ų294.4 Ų94.41%0.0149%0.486CS..Hα-helixtrans-61-45174.4-81.7174000112.2V4 N5 E6 K11 M12 L13 V23 I26 I30 P38V4-L9 HydrophobicContact CG1-CD1 3.67Å; V4-L9 HydrophobicContact CG1-CG 3.97Å; N5-L9 PolarHBondContact O-N 3.17Å; E6-L9 PolarHBondContact O-N 3.22Å; L9-K11 PolarHBondContact O-N 3.06Å; L9-M12 HydrophobicContact CD2-SD 4.29Å; L9-M12 WeakPolarHBondContact O-CB 3.22Å; L9-M12 PolarHBondContact O-N 2.99Å; L9-M12 VanDerWaalsContact O-N 3.16Å; L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-V23 HydrophobicContact CB-CG2 4.42Å; L9-I26 HydrophobicContact CD1-CG2 3.87Å; L9-I26 HydrophobicContact CD2-CD1 4.44Å; L9-I26 HydrophobicContact CD2-CG2 3.97Å; L9-I30 HydrophobicContact CD1-CD1 4.36Å; L9-P38 HydrophobicContact CD2-CB 3.66Å; L9-P38 HydrophobicContact CD2-CG 3.71Å
10K88.5Confident80.7Confident79 Ų7994 Ų9434%0.34349%0.485SS..Hα-helixtrans-60.2-33.9175.3-77.5176.5-178166.50112.4E6 V23E6-K10 WeakPolarHBondContact O-CG 3.44Å; E6-K10 PolarHBondContact O-N 3.47Å; E6-K10 WeakPolarHBondContact OE1-CE 3.42Å; E6-K10 IonicContact OE1-NZ 2.72Å; E6-K10 PolarHBondContact OE1-NZ 3.21Å; K10-V23 HydrophobicContact CG-CG2 3.86Å
11K89.6Confident81.4Confident174 Ų17491.9 Ų91.976%0.75747%0.474SS*.Hα-helixtrans-70.1-41.5175-172.1179.4178-177.50112G7 A8 L9 L13 K14G7-K11 PolarHBondContact O-N 3.38Å; G7-K11 VanDerWaalsContact O-N 3.13Å; A8-K11 WeakPolarHBondContact O-CB 3.17Å; A8-K11 PolarHBondContact O-N 2.85Å; A8-K11 VanDerWaalsContact O-N 3.17Å; L9-K11 PolarHBondContact O-N 3.06Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 3.36Å; K11-K14 PolarHBondContact O-N 3.47Å
12M89.6Confident84.2Confident52 Ų5281 Ų8126%0.25642%0.421SS..Hα-helixtrans-61.9-41.3176.3-68.2167.478.400111.4A8 L9 K14 P38 M40 V54A8-M12 WeakPolarHBondContact O-CG 3.37Å; A8-M12 PolarHBondContact O-N 3.4Å; L9-M12 HydrophobicContact CD2-SD 4.29Å; L9-M12 WeakPolarHBondContact O-CB 3.22Å; L9-M12 PolarHBondContact O-N 2.99Å; L9-M12 VanDerWaalsContact O-N 3.16Å; M12-K14 VanDerWaalsContact C-N 3.28Å; M12-K14 PolarHBondContact O-N 3.24Å; M12-P38 HydrophobicContact CE-CB 4.33Å; M12-M40 HydrophobicContact CB-CG 3.77Å; M12-M40 HydrophobicContact CB-SD 3.92Å; M12-M40 HydrophobicContact CE-CB 4.14Å; M12-M40 HydrophobicContact CE-CG 3.56Å; M12-M40 HydrophobicContact CE-SD 4.39Å; M12-M40 HydrophobicContact CG-CG 3.77Å; M12-V54 HydrophobicContact CB-CG2 4.17Å; M12-V54 HydrophobicContact CE-CG2 4.44Å
13L91.9Very high86.9Confident0 Ų076.2 Ų76.20%038%0.381CS..THydrogen-bonded Turntrans-8922.8-175.2-64.5165.7000113.6L9 K11 Q15 Y16 R19 T22 V23 I26 V54L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.03Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 3.36Å; L13-Q15 PolarHBondContact O-N 3.23Å; L13-Y16 HydrophobicContact CB-CD2 4.24Å; L13-Y16 HydrophobicContact CB-CG 4.28Å; L13-Y16 HydrophobicContact CD2-CD1 3.61Å; L13-Y16 HydrophobicContact CD2-CD2 3.6Å; L13-Y16 HydrophobicContact CD2-CE1 3.65Å; L13-Y16 HydrophobicContact CD2-CE2 3.64Å; L13-Y16 HydrophobicContact CD2-CG 3.6Å; L13-Y16 WeakPolarHBondContact O-CB 3.48Å; L13-Y16 PolarHBondContact O-N 3.08Å; L13-Y16 VanDerWaalsContact O-N 3.11Å; L13-R19 HydrophobicContact CB-CG 3.84Å; L13-T22 HydrophobicContact CD1-CG2 3.83Å; L13-T22 HydrophobicContact CD2-CG2 3.8Å; L13-T22 HydrophobicContact CG-CG2 4.49Å; L13-V23 HydrophobicContact CD1-CB 4.49Å; L13-V23 HydrophobicContact CD1-CG2 3.48Å; L13-V23 VanDerWaalsContact CD1-CG2 3.48Å; L13-I26 HydrophobicContact CD1-CD1 4.03Å; L13-V54 HydrophobicContact CD2-CB 4.1Å; L13-V54 HydrophobicContact CD2-CG2 3.43Å; L13-V54 VanDerWaalsContact CD2-CG2 3.43Å; L13-V54 HydrophobicContact CG-CG2 4.02Å
14K90.7Very high89Confident173 Ų17378.4 Ų78.475%0.75238%0.375SS*.THydrogen-bonded Turntrans-58.9-32.9-175.5-174.5-179.5176.8-172.90113.2K11 M12K11-K14 PolarHBondContact O-N 3.47Å; M12-K14 VanDerWaalsContact C-N 3.28Å; M12-K14 PolarHBondContact O-N 3.24Å
15Q89.8Confident90.6Very high167 Ų16776.6 Ų76.678%0.7836%0.363SS*.THydrogen-bonded Turntrans-90.9-1.5-177.9-63-179.4-0.600113.4L13L13-Q15 PolarHBondContact O-N 3.23Å
16Y94.8Very high91.5Very high14 Ų1471.4 Ų71.46%0.05534%0.335CS..  trans-81.6137.3-177.4-80.1-122.3000110.8L13 Y18 T22 L53 V54 L77 L78L13-Y16 HydrophobicContact CB-CD2 4.24Å; L13-Y16 HydrophobicContact CB-CG 4.28Å; L13-Y16 HydrophobicContact CD2-CD1 3.61Å; L13-Y16 HydrophobicContact CD2-CD2 3.6Å; L13-Y16 HydrophobicContact CD2-CE1 3.65Å; L13-Y16 HydrophobicContact CD2-CE2 3.64Å; L13-Y16 HydrophobicContact CD2-CG 3.6Å; L13-Y16 WeakPolarHBondContact O-CB 3.48Å; L13-Y16 PolarHBondContact O-N 3.08Å; L13-Y16 VanDerWaalsContact O-N 3.11Å; Y16-Y18 VanDerWaalsContact C-N 3.35Å; Y16-Y18 PolarHBondContact O-N 3.37Å; Y16-T22 HydrophobicContact CD1-CG2 4.26Å; Y16-T22 HydrophobicContact CE1-CG2 4.46Å; Y16-L53 WeakPolarHBondContact OH-CA 3.2Å; Y16-V54 PolarHBondContact OH-N 2.87Å; Y16-L77 HydrophobicContact CE1-CB 4.2Å; Y16-L77 PolarHBondContact OH-O 3.15Å; Y16-L78 WeakPolarHBondContact CD1-O 3.49Å; Y16-L78 WeakPolarHBondContact CE1-O 3.32Å
17K95Very high92.1Very high148 Ų14869.4 Ų69.464%0.64333%0.329SS*.THydrogen-bonded Turntrans-65.4-37.6-178.5-169.5173.4179.7-176.70112.2D79K17-D79 PolarHBondContact N-O 3.45Å
18Y95.6Very high92.7Very high67 Ų6770.4 Ų70.426%0.26332%0.324SS..THydrogen-bonded Turntrans-120.159-178-44.9-80000111.5Y16 D20 L21 T22 T80 Y81 Y83Y16-Y18 VanDerWaalsContact C-N 3.35Å; Y16-Y18 PolarHBondContact O-N 3.37Å; Y18-D20 PolarHBondContact O-N 3.42Å; Y18-L21 PolarHBondContact O-N 2.97Å; Y18-T22 PolarHBondContact O-N 3.5Å; Y18-T22 VanDerWaalsContact O-N 3.1Å; Y18-T22 PolarHBondContact O-OG1 2.92Å; Y18-T80 WeakPolarHBondContact CD2-O 3.39Å; Y18-Y81 WeakPolarHBondContact CB-O 3.42Å; Y18-Y81 WeakPolarHBondContact CD2-O 3.27Å; Y18-Y83 HydrophobicContact CD1-CD2 4.24Å; Y18-Y83 AromaticContact CD1-CE2 3.69Å; Y18-Y83 HydrophobicContact CD1-CE2 3.69Å; Y18-Y83 AromaticContact CD2-CD2 3.55Å; Y18-Y83 HydrophobicContact CD2-CD2 3.55Å; Y18-Y83 AromaticContact CD2-CE2 3.87Å; Y18-Y83 HydrophobicContact CD2-CE2 3.87Å; Y18-Y83 AromaticContact CE1-CD2 4Å; Y18-Y83 HydrophobicContact CE1-CD2 4Å; Y18-Y83 AromaticContact CE1-CE2 3.52Å; Y18-Y83 HydrophobicContact CE1-CE2 3.52Å; Y18-Y83 AromaticContact CE2-CD2 3.29Å; Y18-Y83 HydrophobicContact CE2-CD2 3.29Å; Y18-Y83 AromaticContact CE2-CE2 3.73Å; Y18-Y83 HydrophobicContact CE2-CE2 3.73Å; Y18-Y83 HydrophobicContact CE2-CG 4.29Å; Y18-Y83 HydrophobicContact CG-CD2 4.02Å; Y18-Y83 AromaticContact CG-CE2 3.84Å; Y18-Y83 HydrophobicContact CG-CE2 3.84Å; Y18-Y83 AromaticContact CZ-CD2 3.52Å; Y18-Y83 AromaticContact CZ-CE2 3.54Å
19R94.3Very high93.1Very high102 Ų10268.3 Ų68.339%0.38531%0.307SS..Hα-helixtrans-53.5-51.8-173.7-174.4-172.768.6-158-5.6113.6L13 L21 T22 V23L13-R19 HydrophobicContact CB-CG 3.84Å; R19-L21 VanDerWaalsContact C-N 3.33Å; R19-L21 PolarHBondContact O-N 3.43Å; R19-T22 PolarHBondContact O-N 3.2Å; R19-V23 HydrophobicContact CG-CG2 4.28Å; R19-V23 VanDerWaalsContact O-CG2 3.3Å; R19-V23 WeakPolarHBondContact O-CG2 3.33Å; R19-V23 PolarHBondContact O-N 3.48Å
20D93Very high93.3Very high86 Ų8668.9 Ų68.946%0.4631%0.31SS..Hα-helixtrans-70.6-31.8-170-59.8-25.7000112.1Y18 R24Y18-D20 PolarHBondContact O-N 3.42Å; D20-R24 WeakPolarHBondContact O-CB 3.45Å; D20-R24 PolarHBondContact O-N 3.23Å; D20-R24 VanDerWaalsContact O-N 3.15Å
21L95.3Very high93.5Very high49 Ų4967.9 Ų67.926%0.25731%0.313SS..Hα-helixtrans-65.8-47.7170.8-65.4179.8000110.9Y18 R19 V23 R24 E25 P82Y18-L21 PolarHBondContact O-N 2.97Å; R19-L21 VanDerWaalsContact C-N 3.33Å; R19-L21 PolarHBondContact O-N 3.43Å; L21-V23 PolarHBondContact O-N 2.94Å; L21-R24 PolarHBondContact O-N 3.33Å; L21-E25 PolarHBondContact O-N 3.49Å; L21-P82 HydrophobicContact CB-CG 4.23Å; L21-P82 HydrophobicContact CD1-CG 4.03Å
22T95.8Very high93.8Very high0 Ų063.8 Ų63.80%030%0.296CS..Hα-helixtrans-60.5-44.5179.3-53.10000111.7L13 Y16 Y18 R19 R24 E25 I26 L77 Y81L13-T22 HydrophobicContact CD1-CG2 3.83Å; L13-T22 HydrophobicContact CD2-CG2 3.8Å; L13-T22 HydrophobicContact CG-CG2 4.49Å; Y16-T22 HydrophobicContact CD1-CG2 4.26Å; Y16-T22 HydrophobicContact CE1-CG2 4.46Å; Y18-T22 PolarHBondContact O-N 3.5Å; Y18-T22 VanDerWaalsContact O-N 3.1Å; Y18-T22 PolarHBondContact O-OG1 2.92Å; R19-T22 PolarHBondContact O-N 3.2Å; T22-R24 PolarHBondContact O-N 3.42Å; T22-E25 PolarHBondContact O-N 2.94Å; T22-I26 HydrophobicContact CG2-CD1 3.8Å; T22-I26 HydrophobicContact CG2-CG1 4.41Å; T22-I26 WeakPolarHBondContact O-CB 3.35Å; T22-I26 VanDerWaalsContact O-CG1 3.27Å; T22-I26 WeakPolarHBondContact O-CG1 3.31Å; T22-I26 PolarHBondContact O-N 2.85Å; T22-L77 HydrophobicContact CG2-CD1 3.97Å; T22-Y81 HydrophobicContact CG2-CD1 3.85Å; T22-Y81 PolarHBondContact OG1-O 2.79Å
23V95.2Very high94Very high3 Ų362.4 Ų62.42%0.01829%0.288CS..Hα-helixtrans-59.9-45.4176.3171.20000111.1E6 L9 K10 L13 R19 L21 T27E6-V23 HydrophobicContact CG-CG1 3.6Å; L9-V23 HydrophobicContact CB-CG2 4.42Å; K10-V23 HydrophobicContact CG-CG2 3.86Å; L13-V23 HydrophobicContact CD1-CB 4.49Å; L13-V23 HydrophobicContact CD1-CG2 3.48Å; L13-V23 VanDerWaalsContact CD1-CG2 3.48Å; R19-V23 HydrophobicContact CG-CG2 4.28Å; R19-V23 VanDerWaalsContact O-CG2 3.3Å; R19-V23 WeakPolarHBondContact O-CG2 3.33Å; R19-V23 PolarHBondContact O-N 3.48Å; L21-V23 PolarHBondContact O-N 2.94Å; V23-T27 VanDerWaalsContact O-CB 3.28Å; V23-T27 WeakPolarHBondContact O-CB 3.38Å; V23-T27 PolarHBondContact O-N 2.89Å; V23-T27 PolarHBondContact O-OG1 3.3Å
24R94.1Very high94.1Very high172 Ų17269.1 Ų69.165%0.64932%0.317SS*.Hα-helixtrans-61.4-46.5-179.7-176.8-176.5-63.6156.11.4111.4D20 L21 T22 T27 N28D20-R24 WeakPolarHBondContact O-CB 3.45Å; D20-R24 PolarHBondContact O-N 3.23Å; D20-R24 VanDerWaalsContact O-N 3.15Å; L21-R24 PolarHBondContact O-N 3.33Å; T22-R24 PolarHBondContact O-N 3.42Å; R24-T27 PolarHBondContact O-N 3.06Å; R24-N28 PolarHBondContact O-N 3.12Å
25E94.6Very high94.3Very high24 Ų2465 Ų6511%0.11230%0.304CS..Hα-helixtrans-67.7-44.4-179.9-73.8-161.5-138.200112.9L21 T22 T27 N28 V29 Y81 L125L21-E25 PolarHBondContact O-N 3.49Å; T22-E25 PolarHBondContact O-N 2.94Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.13Å; E25-N28 WeakPolarHBondContact O-CB 3.42Å; E25-N28 PolarHBondContact O-N 3.17Å; E25-V29 WeakPolarHBondContact O-CG2 3.39Å; E25-V29 PolarHBondContact O-N 2.89Å; E25-Y81 HydrophobicContact CB-CE1 4.27Å; E25-Y81 VanDerWaalsContact CD-OH 3.28Å; E25-Y81 PolarHBondContact OE2-OH 2.98Å; E25-L125 HydrophobicContact CB-CD1 4.37Å; E25-L125 PolarHBondContact OE2-N 3.5Å
26I95.3Very high94.5Very high0 Ų057.3 Ų57.30%027%0.268CS..Hα-helixtrans-56.8-46.3173.3-70.8169.4000110.2L9 L13 T22 N28 V29 I30 P38 V54 L56 L77L9-I26 HydrophobicContact CD1-CG2 3.87Å; L9-I26 HydrophobicContact CD2-CD1 4.44Å; L9-I26 HydrophobicContact CD2-CG2 3.97Å; L13-I26 HydrophobicContact CD1-CD1 4.03Å; T22-I26 HydrophobicContact CG2-CD1 3.8Å; T22-I26 HydrophobicContact CG2-CG1 4.41Å; T22-I26 WeakPolarHBondContact O-CB 3.35Å; T22-I26 VanDerWaalsContact O-CG1 3.27Å; T22-I26 WeakPolarHBondContact O-CG1 3.31Å; T22-I26 PolarHBondContact O-N 2.85Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.94Å; I26-V29 PolarHBondContact O-N 3.26Å; I26-I30 HydrophobicContact CG2-CD1 4.08Å; I26-I30 HydrophobicContact CG2-CG2 4.26Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.22Å; I26-I30 WeakPolarHBondContact O-CG2 3.16Å; I26-I30 PolarHBondContact O-N 3.23Å; I26-P38 HydrophobicContact CG2-CB 4.44Å; I26-V54 HydrophobicContact CD1-CG1 4.14Å; I26-L56 HydrophobicContact CG1-CD1 4.34Å; I26-L56 HydrophobicContact CG1-CD2 4.47Å; I26-L56 HydrophobicContact CG2-CD2 3.94Å; I26-L77 HydrophobicContact CD1-CD1 3.65Å; I26-L77 HydrophobicContact CG1-CD1 3.71Å
27T94.1Very high94.5Very high54 Ų5463.1 Ų63.133%0.33129%0.293SS..Hα-helixtrans-62.6-40.1-179.7-560000111.6V23 R24 E25 I30 S31V23-T27 VanDerWaalsContact O-CB 3.28Å; V23-T27 WeakPolarHBondContact O-CB 3.38Å; V23-T27 PolarHBondContact O-N 2.89Å; V23-T27 PolarHBondContact O-OG1 3.3Å; R24-T27 PolarHBondContact O-N 3.06Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.13Å; T27-I30 WeakPolarHBondContact O-CG1 3.44Å; T27-S31 VanDerWaalsContact O-CB 3.27Å; T27-S31 WeakPolarHBondContact O-CB 3.4Å; T27-S31 PolarHBondContact O-N 3Å; T27-S31 VanDerWaalsContact O-N 3.08Å
28N93.8Very high94.5Very high67 Ų6757.4 Ų57.436%0.35827%0.271SS..Hα-helixtrans-60.9-50.2174.1-175.619.3000111R24 E25 I26 S31 Q32R24-N28 PolarHBondContact O-N 3.12Å; E25-N28 WeakPolarHBondContact O-CB 3.42Å; E25-N28 PolarHBondContact O-N 3.17Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.94Å; N28-S31 WeakPolarHBondContact O-CB 3.44Å; N28-S31 PolarHBondContact O-N 3.44Å; N28-S31 PolarHBondContact O-OG 3.44Å; N28-Q32 PolarHBondContact O-N 3.04Å; N28-Q32 PolarHBondContact OD1-NE2 3.27Å
29V95.2Very high94.5Very high1 Ų157.1 Ų57.11%0.00628%0.276CS..Hα-helixtrans-61.6-51.2-178170.20000112.2E25 I26 S31 Q32 Y33 L36 L56 L125 I129E25-V29 WeakPolarHBondContact O-CG2 3.39Å; E25-V29 PolarHBondContact O-N 2.89Å; I26-V29 PolarHBondContact O-N 3.26Å; V29-S31 PolarHBondContact O-N 3.5Å; V29-Q32 PolarHBondContact O-N 2.7Å; V29-Y33 HydrophobicContact CG1-CD2 4.18Å; V29-Y33 PolarHBondContact O-N 3.32Å; V29-L36 HydrophobicContact CG1-CD1 3.84Å; V29-L56 HydrophobicContact CG1-CD1 4.2Å; V29-L125 HydrophobicContact CG2-CB 3.58Å; V29-I129 HydrophobicContact CB-CD1 4.49Å; V29-I129 HydrophobicContact CG1-CD1 3.41Å; V29-I129 VanDerWaalsContact CG1-CD1 3.41Å; V29-I129 HydrophobicContact CG2-CD1 4.26Å
30I94.1Very high94.5Very high15 Ų1555.4 Ų55.48%0.07727%0.273CS..Hα-helixtrans-69-19.6-179.270.3-164.2000112.4V4 L9 I26 T27 Q32 K34 L36 L56V4-I30 HydrophobicContact CB-CD1 3.63Å; V4-I30 HydrophobicContact CG1-CD1 3.74Å; V4-I30 HydrophobicContact CG2-CD1 3.72Å; V4-I30 HydrophobicContact CG2-CG1 4.44Å; L9-I30 HydrophobicContact CD1-CD1 4.36Å; I26-I30 HydrophobicContact CG2-CD1 4.08Å; I26-I30 HydrophobicContact CG2-CG2 4.26Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.22Å; I26-I30 WeakPolarHBondContact O-CG2 3.16Å; I26-I30 PolarHBondContact O-N 3.23Å; T27-I30 WeakPolarHBondContact O-CG1 3.44Å; I30-Q32 VanDerWaalsContact C-N 3.27Å; I30-K34 PolarHBondContact O-NZ 2.81Å; I30-L36 WeakPolarHBondContact CG2-O 3.36Å; I30-L56 HydrophobicContact CG2-CD2 4.07Å
31S92.6Very high94.5Very high58 Ų5855.1 Ų55.141%0.40627%0.272SS..Hα-helixtrans-68.9-30.1172.581.60000111.8T27 N28 V29 K34T27-S31 VanDerWaalsContact O-CB 3.27Å; T27-S31 WeakPolarHBondContact O-CB 3.4Å; T27-S31 PolarHBondContact O-N 3Å; T27-S31 VanDerWaalsContact O-N 3.08Å; N28-S31 WeakPolarHBondContact O-CB 3.44Å; N28-S31 PolarHBondContact O-N 3.44Å; N28-S31 PolarHBondContact O-OG 3.44Å; V29-S31 PolarHBondContact O-N 3.5Å; S31-K34 WeakPolarHBondContact O-CE 3.49Å; S31-K34 PolarHBondContact O-NZ 2.87Å
32Q94.2Very high94.5Very high87 Ų8755.7 Ų55.741%0.40728%0.28SS..Hα-helixtrans-97.5-42.6-178.9-57.7-168.649.800111.9N28 V29 I30 Y126N28-Q32 PolarHBondContact O-N 3.04Å; N28-Q32 PolarHBondContact OD1-NE2 3.27Å; V29-Q32 PolarHBondContact O-N 2.7Å; I30-Q32 VanDerWaalsContact C-N 3.27Å; Q32-Y126 VanDerWaalsContact OE1-CZ 3.28Å; Q32-Y126 PolarHBondContact OE1-OH 3.43Å
33Y95.1Very high94.5Very high23 Ų2356.8 Ų56.89%0.0928%0.284CS..  trans-10791.4-179.4-60.6-75.7000110.7V29 D35 L36 P61 Y126 I129 Q130 I133V29-Y33 HydrophobicContact CG1-CD2 4.18Å; V29-Y33 PolarHBondContact O-N 3.32Å; Y33-D35 VanDerWaalsContact C-N 3.27Å; Y33-D35 PolarHBondContact O-N 3.2Å; Y33-L36 HydrophobicContact CG-CD1 4.27Å; Y33-L36 PolarHBondContact O-N 3.14Å; Y33-P61 HydrophobicContact CE1-CG 4.47Å; Y33-Y126 AromaticContact CE2-CD2 3.95Å; Y33-Y126 HydrophobicContact CE2-CD2 3.95Å; Y33-Y126 AromaticContact CE2-CE2 3.92Å; Y33-Y126 HydrophobicContact CE2-CE2 3.92Å; Y33-I129 HydrophobicContact CD1-CG2 4.46Å; Y33-I129 HydrophobicContact CD2-CD1 4.08Å; Y33-I129 HydrophobicContact CD2-CG2 4.17Å; Y33-I129 HydrophobicContact CE1-CG2 3.92Å; Y33-I129 HydrophobicContact CE2-CB 4.12Å; Y33-I129 HydrophobicContact CE2-CD1 4.19Å; Y33-I129 HydrophobicContact CE2-CG2 3.56Å; Y33-I129 VanDerWaalsContact CZ-CG2 3.42Å; Y33-Q130 PolarHBondContact OH-NE2 2.98Å; Y33-I133 HydrophobicContact CE1-CD1 3.84Å; Y33-I133 WeakPolarHBondContact OH-CD1 3.31Å
34K93Very high94.4Very high141 Ų14160.9 Ų60.961%0.61331%0.309SS*.THydrogen-bonded Turntrans-67.5-23.5-172.1-60.2-58.3178-167.40115I30 S31I30-K34 PolarHBondContact O-NZ 2.81Å; S31-K34 WeakPolarHBondContact O-CE 3.49Å; S31-K34 PolarHBondContact O-NZ 2.87Å
35D94.4Very high94.3Very high88 Ų8854.8 Ų54.847%0.47129%0.287SS..THydrogen-bonded Turntrans-82.1-17.6179.9-66.2-20.2000112.7Y33 G58 T59Y33-D35 VanDerWaalsContact C-N 3.27Å; Y33-D35 PolarHBondContact O-N 3.2Å; D35-G58 WeakPolarHBondContact O-CA 3.49Å; D35-T59 VanDerWaalsContact CB-OG1 3.23Å; D35-T59 WeakPolarHBondContact CB-OG1 3.5Å; D35-T59 PolarHBondContact OD2-OG1 3.07Å; D35-T59 VanDerWaalsContact OD2-OG1 3.13Å
36L95.5Very high94Very high4 Ų461.1 Ų61.12%0.02132%0.322CS..  trans-78.4124.4174.3-67.2-179.9000110.2V29 I30 Y33 V60 V73 I129V29-L36 HydrophobicContact CG1-CD1 3.84Å; I30-L36 WeakPolarHBondContact CG2-O 3.36Å; Y33-L36 HydrophobicContact CG-CD1 4.27Å; Y33-L36 PolarHBondContact O-N 3.14Å; L36-V60 HydrophobicContact CD1-CG1 4.1Å; L36-V60 HydrophobicContact CD2-CG1 4.36Å; L36-V60 HydrophobicContact CG-CG1 4.46Å; L36-V73 HydrophobicContact CD2-CG2 3.81Å; L36-I129 HydrophobicContact CD1-CD1 3.72Å
37K94.6Very high93.8Very high137 Ų13767 Ų6760%0.59635%0.354SS*.EExtended strand (participates in β ladder)trans-122.8138.2-179.9-63.7-176.9-176.4176.10111.2L56 T57K37-L56 WeakPolarHBondContact O-CA 3.45Å; K37-T57 PolarHBondContact N-O 3.5Å; K37-T57 PolarHBondContact O-N 3.11Å
38P95.3Very high93.6Very high27 Ų2767 Ų6718%0.17536%0.364CS..EExtended strand (participates in β ladder)trans-72.9129.7172.131-33.6000110.1V4 L9 M12 I26 V54 S55 L56V4-P38 HydrophobicContact CG1-CG 4.38Å; L9-P38 HydrophobicContact CD2-CB 3.66Å; L9-P38 HydrophobicContact CD2-CG 3.71Å; M12-P38 HydrophobicContact CE-CB 4.33Å; I26-P38 HydrophobicContact CG2-CB 4.44Å; P38-V54 HydrophobicContact CB-CG1 4.26Å; P38-S55 CarbonylContact C-O 3.48Å; P38-S55 WeakPolarHBondContact CA-O 3.5Å; P38-L56 HydrophobicContact CB-CD2 4.04Å
39V94.3Very high93.5Very high61 Ų6165.8 Ų65.837%0.3736%0.361SS..EExtended strand (participates in β ladder)trans-132.4130.2178.7-1780000108.5D41 V54 S55V39-D41 HydrophobicContact CG1-CB 4.46Å; V39-V54 CarbonylContact O-C 3.59Å; V39-V54 WeakPolarHBondContact O-CA 3.42Å; V39-S55 PolarHBondContact N-O 3.04Å; V39-S55 PolarHBondContact O-N 3.04Å; V39-S55 PolarHBondContact O-OG 3.45Å
40M93.9Very high93.4Very high66 Ų6669.4 Ų69.433%0.32538%0.383SS..EExtended strand (participates in β ladder)trans-83.8125.8167.3-80.7-54.3-71.500108.4M12 T52 V54M12-M40 HydrophobicContact CB-CG 3.77Å; M12-M40 HydrophobicContact CB-SD 3.92Å; M12-M40 HydrophobicContact CE-CB 4.14Å; M12-M40 HydrophobicContact CE-CG 3.56Å; M12-M40 HydrophobicContact CE-SD 4.39Å; M12-M40 HydrophobicContact CG-CG 3.77Å; M40-T52 HydrophobicContact CE-CG2 3.49Å; M40-T52 VanDerWaalsContact CE-CG2 3.49Å; M40-V54 HydrophobicContact CG-CG2 4.39Å; M40-V54 HydrophobicContact SD-CB 4.15Å; M40-V54 HydrophobicContact SD-CG2 3.18Å; M40-V54 WeakPolarHBondContact SD-CG2 3.35Å
41D93.9Very high93.4Very high81 Ų8174.5 Ų74.543%0.43340%0.402SS..EExtended strand (participates in β ladder)trans-151.6167178.6-166.410.9000110.5V39 T52 L53 W76V39-D41 HydrophobicContact CG1-CB 4.46Å; D41-T52 WeakPolarHBondContact O-CA 3.44Å; D41-L53 PolarHBondContact N-O 3.11Å; D41-L53 PolarHBondContact O-N 3.11Å; D41-L53 VanDerWaalsContact O-O 3.14Å; D41-W76 HydrophobicContact CB-CH2 3.57Å; D41-W76 HydrophobicContact CB-CZ3 4.12Å; D41-W76 WeakPolarHBondContact O-CZ3 3.47Å
42S95.3Very high93.5Very high61 Ų6175.3 Ų75.343%0.42740%0.404SS..EExtended strand (participates in β ladder)trans-88.4116.3-176.8-148.30000110.4T50S42-T50 WeakPolarHBondContact OG-CG2 3.46Å
43Y95.1Very high93.7Very high22 Ų2271.3 Ų71.39%0.08639%0.386CS..EExtended strand (participates in β ladder)trans-99127.9176.4-172.5-93.8000110.4F45 T50 R51 L53 W76 I87 F89Y43-F45 HydrophobicContact CD1-CD1 4.14Å; Y43-F45 AromaticContact CD1-CD2 3.92Å; Y43-F45 HydrophobicContact CD1-CD2 3.92Å; Y43-F45 HydrophobicContact CD1-CE1 4.04Å; Y43-F45 AromaticContact CD1-CE2 3.79Å; Y43-F45 HydrophobicContact CD1-CE2 3.79Å; Y43-F45 HydrophobicContact CD1-CG 4.09Å; Y43-F45 AromaticContact CD1-CZ 3.87Å; Y43-F45 HydrophobicContact CD1-CZ 3.87Å; Y43-F45 AromaticContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD2 4.4Å; Y43-F45 HydrophobicContact CE1-CE1 4.03Å; Y43-F45 HydrophobicContact CE1-CE2 4.5Å; Y43-F45 HydrophobicContact CE1-CG 4.09Å; Y43-F45 HydrophobicContact CE1-CZ 4.33Å; Y43-T50 CarbonylContact O-C 3.57Å; Y43-T50 WeakPolarHBondContact O-CA 3.3Å; Y43-R51 PolarHBondContact N-O 2.72Å; Y43-R51 PolarHBondContact O-N 3.28Å; Y43-L53 HydrophobicContact CD1-CD1 4.44Å; Y43-L53 HydrophobicContact CG-CD1 4.29Å; Y43-W76 AromaticContact CD2-CD1 3.88Å; Y43-W76 AromaticContact CD2-CD2 3.62Å; Y43-W76 HydrophobicContact CD2-CD2 3.62Å; Y43-W76 AromaticContact CD2-CE2 3.57Å; Y43-W76 HydrophobicContact CD2-CE3 4.15Å; Y43-W76 AromaticContact CD2-CG 3.81Å; Y43-W76 HydrophobicContact CD2-CG 3.81Å; Y43-W76 HydrophobicContact CD2-CH2 4.4Å; Y43-W76 AromaticContact CD2-CZ2 3.99Å; Y43-W76 HydrophobicContact CD2-CZ2 3.99Å; Y43-W76 AromaticContact CD2-NE1 3.73Å; Y43-W76 AromaticContact CE2-CD1 3.87Å; Y43-W76 HydrophobicContact CE2-CD2 4.36Å; Y43-W76 HydrophobicContact CE2-CG 4.11Å; Y43-W76 AromaticContact CE2-NE1 3.95Å; Y43-W76 HydrophobicContact CG-CD2 4.34Å; Y43-W76 HydrophobicContact CG-CE3 4.45Å; Y43-I87 HydrophobicContact CE1-CD1 3.91Å; Y43-F89 AromaticContact CE2-CE2 3.99Å; Y43-F89 HydrophobicContact CE2-CE2 3.99Å; Y43-F89 HydrophobicContact CE2-CZ 4.34Å
44V94.4Very high93.7Very high89 Ų8970.2 Ų70.254%0.53938%0.381SS..EExtended strand (participates in β ladder)trans-97.2121.6175.9-173.80000108.8S49 T50V44-S49 WeakPolarHBondContact CA-O 3.32Å; V44-T50 HydrophobicContact CG2-CG2 4.34Å
45F92.2Very high93.9Very high44 Ų4463.6 Ų63.619%0.19335%0.352CS..PPolyproline II helixtrans-83.4165.6176.9-69.3-92.2000111.2Y43 D47 G48 S49 R51 L53 L78Y43-F45 HydrophobicContact CD1-CD1 4.14Å; Y43-F45 AromaticContact CD1-CD2 3.92Å; Y43-F45 HydrophobicContact CD1-CD2 3.92Å; Y43-F45 HydrophobicContact CD1-CE1 4.04Å; Y43-F45 AromaticContact CD1-CE2 3.79Å; Y43-F45 HydrophobicContact CD1-CE2 3.79Å; Y43-F45 HydrophobicContact CD1-CG 4.09Å; Y43-F45 AromaticContact CD1-CZ 3.87Å; Y43-F45 HydrophobicContact CD1-CZ 3.87Å; Y43-F45 AromaticContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD2 4.4Å; Y43-F45 HydrophobicContact CE1-CE1 4.03Å; Y43-F45 HydrophobicContact CE1-CE2 4.5Å; Y43-F45 HydrophobicContact CE1-CG 4.09Å; Y43-F45 HydrophobicContact CE1-CZ 4.33Å; F45-D47 WeakPolarHBondContact CB-OD1 3.45Å; F45-D47 PolarHBondContact O-N 3.18Å; F45-G48 PolarHBondContact O-N 3.5Å; F45-S49 PolarHBondContact N-O 3.2Å; F45-R51 HydrophobicContact CD2-CG 4.3Å; F45-R51 HydrophobicContact CE2-CB 3.82Å; F45-R51 HydrophobicContact CE2-CG 3.61Å; F45-R51 HydrophobicContact CZ-CG 4.48Å; F45-L53 HydrophobicContact CZ-CD1 4.09Å; F45-L78 HydrophobicContact CE1-CD2 3.92Å; F45-L78 HydrophobicContact CZ-CD2 3.95Å
46N88.5Confident94Very high157 Ų15759.4 Ų59.484%0.8433%0.33SS*.THydrogen-bonded Turntrans-64.5-20.5-178.6-65.7-0.2000113.4G48N46-G48 PolarHBondContact O-N 3.5Å
47D89.4Confident94.1Very high124 Ų12461.1 Ų61.166%0.66334%0.341SS*.THydrogen-bonded Turntrans-82.53.3174.263.8-2.5000112.7F45 S49F45-D47 WeakPolarHBondContact CB-OD1 3.45Å; F45-D47 PolarHBondContact O-N 3.18Å; D47-S49 VanDerWaalsContact CG-OG 3.31Å; D47-S49 PolarHBondContact O-N 2.62Å; D47-S49 WeakPolarHBondContact OD1-CB 3.44Å; D47-S49 PolarHBondContact OD1-N 3.36Å; D47-S49 PolarHBondContact OD1-OG 2.98Å; D47-S49 PolarHBondContact OD2-OG 2.99Å
48G90.1Very high94.2Very high54 Ų5455.5 Ų55.556%0.55732%0.322SS*.SBendtrans80-7.3-175.700000114F45 N46F45-G48 PolarHBondContact O-N 3.5Å; N46-G48 PolarHBondContact O-N 3.5Å
49S92.8Very high94.2Very high41 Ų4155.9 Ų55.929%0.28732%0.324SS..  trans-67.3148175.575.60000110.4V44 F45 D47V44-S49 WeakPolarHBondContact CA-O 3.32Å; F45-S49 PolarHBondContact N-O 3.2Å; D47-S49 VanDerWaalsContact CG-OG 3.31Å; D47-S49 PolarHBondContact O-N 2.62Å; D47-S49 WeakPolarHBondContact OD1-CB 3.44Å; D47-S49 PolarHBondContact OD1-N 3.36Å; D47-S49 PolarHBondContact OD1-OG 2.98Å; D47-S49 PolarHBondContact OD2-OG 2.99Å
50T93.3Very high94.3Very high77 Ų7753 Ų5347%0.47231%0.306SS..EExtended strand (participates in β ladder)trans-122134-178.3-60.10000109.4S42 Y43 V44S42-T50 WeakPolarHBondContact OG-CG2 3.46Å; Y43-T50 CarbonylContact O-C 3.57Å; Y43-T50 WeakPolarHBondContact O-CA 3.3Å; V44-T50 HydrophobicContact CG2-CG2 4.34Å
51R93.6Very high94.5Very high123 Ų12352.3 Ų52.346%0.46431%0.307SS..EExtended strand (participates in β ladder)trans-133.7144.4173.8-56.7-176.8-174.8-169.32.9111.3Y43 F45 L53 D79Y43-R51 PolarHBondContact N-O 2.72Å; Y43-R51 PolarHBondContact O-N 3.28Å; F45-R51 HydrophobicContact CD2-CG 4.3Å; F45-R51 HydrophobicContact CE2-CB 3.82Å; F45-R51 HydrophobicContact CE2-CG 3.61Å; F45-R51 HydrophobicContact CZ-CG 4.48Å; R51-L53 HydrophobicContact CB-CD2 4.48Å; R51-L53 HydrophobicContact CB-CG 4.33Å; R51-L53 PolarHBondContact O-N 3.2Å; R51-D79 IonicContact NH1-OD2 2.79Å; R51-D79 PolarHBondContact NH1-OD2 3.16Å
52T95.3Very high94.6Very high75 Ų7548.6 Ų48.646%0.4629%0.287SS..EExtended strand (participates in β ladder)trans-81.8115.2174-37.80000109.5M40 D41M40-T52 HydrophobicContact CE-CG2 3.49Å; M40-T52 VanDerWaalsContact CE-CG2 3.49Å; D41-T52 WeakPolarHBondContact O-CA 3.44Å
53L96.6Very high94.7Very high3 Ų349 Ų492%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-126.8157.5-175.8-63.4178.3000110.9Y16 D41 Y43 F45 R51 W76 L78Y16-L53 WeakPolarHBondContact OH-CA 3.2Å; D41-L53 PolarHBondContact N-O 3.11Å; D41-L53 PolarHBondContact O-N 3.11Å; D41-L53 VanDerWaalsContact O-O 3.14Å; Y43-L53 HydrophobicContact CD1-CD1 4.44Å; Y43-L53 HydrophobicContact CG-CD1 4.29Å; F45-L53 HydrophobicContact CZ-CD1 4.09Å; R51-L53 HydrophobicContact CB-CD2 4.48Å; R51-L53 HydrophobicContact CB-CG 4.33Å; R51-L53 PolarHBondContact O-N 3.2Å; L53-W76 HydrophobicContact CB-CE3 3.78Å; L53-W76 HydrophobicContact CB-CZ3 3.96Å; L53-L78 HydrophobicContact CD1-CD2 4.01Å
54V96.6Very high94.7Very high0 Ų050.2 Ų50.20%029%0.294CS..EExtended strand (participates in β ladder)trans-78.8132165.8176.40000109.1M12 L13 Y16 I26 P38 V39 M40 L77M12-V54 HydrophobicContact CB-CG2 4.17Å; M12-V54 HydrophobicContact CE-CG2 4.44Å; L13-V54 HydrophobicContact CD2-CB 4.1Å; L13-V54 HydrophobicContact CD2-CG2 3.43Å; L13-V54 VanDerWaalsContact CD2-CG2 3.43Å; L13-V54 HydrophobicContact CG-CG2 4.02Å; Y16-V54 PolarHBondContact OH-N 2.87Å; I26-V54 HydrophobicContact CD1-CG1 4.14Å; P38-V54 HydrophobicContact CB-CG1 4.26Å; V39-V54 CarbonylContact O-C 3.59Å; V39-V54 WeakPolarHBondContact O-CA 3.42Å; M40-V54 HydrophobicContact CG-CG2 4.39Å; M40-V54 HydrophobicContact SD-CB 4.15Å; M40-V54 HydrophobicContact SD-CG2 3.18Å; M40-V54 WeakPolarHBondContact SD-CG2 3.35Å; V54-L77 PolarHBondContact O-N 3.1Å
55S96.4Very high94.7Very high1 Ų155.9 Ų55.91%0.00731%0.306CS..EExtended strand (participates in β ladder)trans-114.5146.3163.566.50000111.2P38 V39 T57 L75P38-S55 CarbonylContact C-O 3.48Å; P38-S55 WeakPolarHBondContact CA-O 3.5Å; V39-S55 PolarHBondContact N-O 3.04Å; V39-S55 PolarHBondContact O-N 3.04Å; V39-S55 PolarHBondContact O-OG 3.45Å; S55-T57 PolarHBondContact OG-OG1 3.01Å; S55-L75 CarbonylContact C-O 3.47Å; S55-L75 VanDerWaalsContact CA-O 3.24Å; S55-L75 WeakPolarHBondContact CA-O 3.4Å
56L96.9Very high94.6Very high0 Ų057 Ų570%033%0.331CS..EExtended strand (participates in β ladder)trans-94.8105.7162.5-65.8171000108.1I26 V29 I30 K37 P38 C74 L75 L125I26-L56 HydrophobicContact CG1-CD1 4.34Å; I26-L56 HydrophobicContact CG1-CD2 4.47Å; I26-L56 HydrophobicContact CG2-CD2 3.94Å; V29-L56 HydrophobicContact CG1-CD1 4.2Å; I30-L56 HydrophobicContact CG2-CD2 4.07Å; K37-L56 WeakPolarHBondContact O-CA 3.45Å; P38-L56 HydrophobicContact CB-CD2 4.04Å; L56-C74 WeakPolarHBondContact O-CA 3.48Å; L56-L75 HydrophobicContact CB-CB 4.25Å; L56-L75 HydrophobicContact CB-CD1 4.42Å; L56-L75 PolarHBondContact N-O 3.46Å; L56-L75 PolarHBondContact O-N 3.21Å; L56-L125 HydrophobicContact CD1-CD1 4.07Å
57T96.7Very high94.9Very high41 Ų4154.1 Ų54.125%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-113.2134.3-178.3-61.40000109.9K37 S55 V73 C74 K91K37-T57 PolarHBondContact N-O 3.5Å; K37-T57 PolarHBondContact O-N 3.11Å; S55-T57 PolarHBondContact OG-OG1 3.01Å; T57-V73 WeakPolarHBondContact CA-O 3.47Å; T57-C74 PolarHBondContact OG1-SG 2.88Å; T57-C74 VanDerWaalsContact OG1-SG 3.37Å; T57-K91 HydrophobicContact CG2-CD 4.41Å
58G96.6Very high95.2Very high19 Ų1954.1 Ų54.120%0.19631%0.314CS..EExtended strand (participates in β ladder)trans162.4-150.917900000111.2D35 P72 V73D35-G58 WeakPolarHBondContact O-CA 3.49Å; G58-P72 CarbonylContact O-C 3.51Å; G58-P72 VanDerWaalsContact O-CA 3.31Å; G58-P72 WeakPolarHBondContact O-CA 3.28Å; G58-V73 PolarHBondContact N-O 2.93Å; G58-V73 VanDerWaalsContact N-O 3.12Å; G58-V73 PolarHBondContact O-N 3.04Å
59T96.8Very high95.5Very high35 Ų3556.5 Ų56.522%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-118.9146.6179.545.70000112.5D35 N70 I71 P72D35-T59 VanDerWaalsContact CB-OG1 3.23Å; D35-T59 WeakPolarHBondContact CB-OG1 3.5Å; D35-T59 PolarHBondContact OD2-OG1 3.07Å; D35-T59 VanDerWaalsContact OD2-OG1 3.13Å; T59-N70 HydrophobicContact CG2-CB 4.04Å; T59-I71 CarbonylContact C-O 3.54Å; T59-I71 VanDerWaalsContact CA-O 3.29Å; T59-I71 WeakPolarHBondContact CA-O 3.45Å; T59-P72 HydrophobicContact CG2-CB 4.18Å
60V96.8Very high95.6Very high0 Ų058.8 Ų58.80%032%0.316CS..EExtended strand (participates in β ladder)trans-113135.2169.3-66.30000110L36 V62 I71 V73 I129L36-V60 HydrophobicContact CD1-CG1 4.1Å; L36-V60 HydrophobicContact CD2-CG1 4.36Å; L36-V60 HydrophobicContact CG-CG1 4.46Å; V60-V62 HydrophobicContact CG2-CG2 4.17Å; V60-V62 PolarHBondContact O-N 3.28Å; V60-I71 HydrophobicContact CG2-CB 4.22Å; V60-I71 PolarHBondContact N-O 3.24Å; V60-I71 PolarHBondContact O-N 3.37Å; V60-V73 HydrophobicContact CG1-CG2 3.85Å; V60-V73 HydrophobicContact CG2-CG1 3.96Å; V60-V73 HydrophobicContact CG2-CG2 4.28Å; V60-I129 HydrophobicContact CB-CG2 4.5Å; V60-I129 HydrophobicContact CG1-CG2 3.83Å
61P96.8Very high95.8Very high52 Ų5255.6 Ų55.634%0.33830%0.296SS..EExtended strand (participates in β ladder)trans-77.9119.7179.430.3-32.9000110.5Y33 I68Y33-P61 HydrophobicContact CE1-CG 4.47Å; P61-I68 HydrophobicContact CB-CG2 3.78Å
62V97.3Very high95.9Very high2 Ų250.4 Ų50.41%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-120.9124.5-177.8177.90000109.7V60 I68 Y69 I71 I133 F136 G137V60-V62 HydrophobicContact CG2-CG2 4.17Å; V60-V62 PolarHBondContact O-N 3.28Å; V62-I68 CarbonylContact O-C 3.57Å; V62-I68 WeakPolarHBondContact O-CA 2.88Å; V62-Y69 PolarHBondContact N-O 3.12Å; V62-Y69 PolarHBondContact O-N 2.79Å; V62-I71 HydrophobicContact CB-CG1 3.83Å; V62-I71 HydrophobicContact CG2-CB 4.15Å; V62-I71 HydrophobicContact CG2-CG1 3.57Å; V62-I133 HydrophobicContact CG2-CG1 4.39Å; V62-F136 VanDerWaalsContact CG1-C 3.44Å; V62-F136 HydrophobicContact CG1-CB 3.74Å; V62-F136 HydrophobicContact CG2-CB 4.02Å; V62-F136 HydrophobicContact CG2-CD2 4.37Å; V62-G137 VanDerWaalsContact CG1-N 3.35Å
63S96.4Very high96.1Very high70 Ų7046.9 Ų46.949%0.4926%0.256SS..EExtended strand (participates in β ladder)trans-82.7119174.1-172.50000110.2N67 G137S63-N67 CarbonylContact C-O 3.52Å; S63-N67 WeakPolarHBondContact CA-O 3.38Å; S63-G137 VanDerWaalsContact O-CA 3.22Å; S63-G137 WeakPolarHBondContact O-CA 3.38Å
64Y95.1Very high96.1Very high47 Ų4746.7 Ų46.718%0.18426%0.255CS..EExtended strand (participates in β ladder)trans-131.8121.5175.1-179.7-108.6000109.8G66 N67 Y69 G137 P140Y64-G66 PolarHBondContact O-N 3.45Å; Y64-N67 PolarHBondContact N-O 3.17Å; Y64-N67 PolarHBondContact O-N 3.44Å; Y64-N67 VanDerWaalsContact O-N 3.1Å; Y64-Y69 HydrophobicContact CD1-CE2 4.16Å; Y64-G137 VanDerWaalsContact CD2-O 3.28Å; Y64-G137 WeakPolarHBondContact CD2-O 3.18Å; Y64-P140 HydrophobicContact CD1-CG 3.72Å; Y64-P140 HydrophobicContact CD2-CG 3.25Å; Y64-P140 HydrophobicContact CE1-CG 3.76Å; Y64-P140 HydrophobicContact CE2-CG 3.31Å; Y64-P140 HydrophobicContact CG-CG 3.47Å; Y64-P140 VanDerWaalsContact CG-CG 3.47Å
65R93.6Very high96.2Very high208 Ų20846.7 Ų46.779%0.78526%0.255SS*.THydrogen-bonded Turntrans50.840.1179.9-60.9-176.7174.3-172.5-2.1113.9N67R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 PolarHBondContact O-N 3.14Å
66G91.5Very high96.3Very high69 Ų6947.4 Ų47.471%0.71126%0.258SS*.THydrogen-bonded Turntrans85.1-5177.500000115.6Y64Y64-G66 PolarHBondContact O-N 3.45Å
67N94.6Very high96.3Very high95 Ų9547.4 Ų47.451%0.50826%0.258SS..EExtended strand (participates in β ladder)trans-110.1144.9175.9-68.4-35.8000110.9S63 Y64 R65 Y69S63-N67 CarbonylContact C-O 3.52Å; S63-N67 WeakPolarHBondContact CA-O 3.38Å; Y64-N67 PolarHBondContact N-O 3.17Å; Y64-N67 PolarHBondContact O-N 3.44Å; Y64-N67 VanDerWaalsContact O-N 3.1Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 PolarHBondContact O-N 3.14Å; N67-Y69 HydrophobicContact CB-CD2 4.4Å; N67-Y69 HydrophobicContact CB-CE2 3.63Å; N67-Y69 WeakPolarHBondContact O-CD2 3.34Å
68I95.6Very high96.3Very high124 Ų12447 Ų4764%0.63625%0.254SS*.EExtended strand (participates in β ladder)trans-94.3122.5175.5-58.2175.6000109P61 V62P61-I68 HydrophobicContact CB-CG2 3.78Å; V62-I68 CarbonylContact O-C 3.57Å; V62-I68 WeakPolarHBondContact O-CA 2.88Å
69Y95.3Very high96.2Very high105 Ų10548.2 Ų48.241%0.41226%0.256SS..EExtended strand (participates in β ladder)trans-110.5137.1176.5-61.4-90.4000110.3V62 Y64 N67 I71V62-Y69 PolarHBondContact N-O 3.12Å; V62-Y69 PolarHBondContact O-N 2.79Å; Y64-Y69 HydrophobicContact CD1-CE2 4.16Å; N67-Y69 HydrophobicContact CB-CD2 4.4Å; N67-Y69 HydrophobicContact CB-CE2 3.63Å; N67-Y69 WeakPolarHBondContact O-CD2 3.34Å; Y69-I71 PolarHBondContact O-N 3.34Å
70N96Very high96.2Very high89 Ų8948.2 Ų48.248%0.47626%0.256SS..EExtended strand (participates in β ladder)trans-88.895.9176.2-66.5-40.8000109.1T59 P72T59-N70 HydrophobicContact CG2-CB 4.04Å; N70-P72 WeakPolarHBondContact O-CD 3.04Å
71I96.6Very high96.2Very high9 Ų948.2 Ų48.25%0.04626%0.256CS..EExtended strand (participates in β ladder)trans-83.9120.4-175.6-56.9-57.4000109.3T59 V60 V62 Y69 V73 V90 F136 P141 V142T59-I71 CarbonylContact C-O 3.54Å; T59-I71 VanDerWaalsContact CA-O 3.29Å; T59-I71 WeakPolarHBondContact CA-O 3.45Å; V60-I71 HydrophobicContact CG2-CB 4.22Å; V60-I71 PolarHBondContact N-O 3.24Å; V60-I71 PolarHBondContact O-N 3.37Å; V62-I71 HydrophobicContact CB-CG1 3.83Å; V62-I71 HydrophobicContact CG2-CB 4.15Å; V62-I71 HydrophobicContact CG2-CG1 3.57Å; Y69-I71 PolarHBondContact O-N 3.34Å; I71-V73 HydrophobicContact CG2-CG1 4.32Å; I71-V73 PolarHBondContact O-N 3.1Å; I71-V90 HydrophobicContact CG2-CG1 4.48Å; I71-F136 HydrophobicContact CG2-CD2 4.21Å; I71-F136 HydrophobicContact CG2-CE2 4.4Å; I71-P141 HydrophobicContact CG2-CG 3.53Å; I71-V142 HydrophobicContact CD1-CG2 3.92Å; I71-V142 HydrophobicContact CG2-CG2 4.45Å
72P97.4Very high96.2Very high15 Ų1545.7 Ų45.710%0.09724%0.24CC..EExtended strand (participates in β ladder)trans-75.5124.3-178.930.1-34.6000111.3G58 T59 N70 V90 K91 M96G58-P72 CarbonylContact O-C 3.51Å; G58-P72 VanDerWaalsContact O-CA 3.31Å; G58-P72 WeakPolarHBondContact O-CA 3.28Å; T59-P72 HydrophobicContact CG2-CB 4.18Å; N70-P72 WeakPolarHBondContact O-CD 3.04Å; P72-V90 WeakPolarHBondContact O-CA 3.42Å; P72-K91 WeakPolarHBondContact CB-O 3.28Å; P72-K91 WeakPolarHBondContact CG-O 3.27Å; P72-K91 PolarHBondContact O-N 3.37Å; P72-M96 HydrophobicContact CG-SD 4.1Å
73V97.8Very high96.2Very high0 Ų051.1 Ų51.10%026%0.261CS..EExtended strand (participates in β ladder)trans-130.2157.7-177.5-61.50000111.6L36 T57 G58 V60 I71 F89 M132 F136L36-V73 HydrophobicContact CD2-CG2 3.81Å; T57-V73 WeakPolarHBondContact CA-O 3.47Å; G58-V73 PolarHBondContact N-O 2.93Å; G58-V73 VanDerWaalsContact N-O 3.12Å; G58-V73 PolarHBondContact O-N 3.04Å; V60-V73 HydrophobicContact CG1-CG2 3.85Å; V60-V73 HydrophobicContact CG2-CG1 3.96Å; V60-V73 HydrophobicContact CG2-CG2 4.28Å; I71-V73 HydrophobicContact CG2-CG1 4.32Å; I71-V73 PolarHBondContact O-N 3.1Å; V73-F89 CarbonylContact C-O 3.53Å; V73-F89 VanDerWaalsContact CA-O 3.3Å; V73-F89 WeakPolarHBondContact CA-O 3.44Å; V73-M132 HydrophobicContact CB-CE 4.42Å; V73-M132 HydrophobicContact CG1-CE 4.01Å; V73-F136 HydrophobicContact CG1-CE2 4.29Å
74C97.8Very high96.2Very high0 Ų051.2 Ų51.20%026%0.256CS..EExtended strand (participates in β ladder)trans-138.5115.8175-176.80000109.3L56 T57 W76 C88 F89 K91L56-C74 WeakPolarHBondContact O-CA 3.48Å; T57-C74 PolarHBondContact OG1-SG 2.88Å; T57-C74 VanDerWaalsContact OG1-SG 3.37Å; C74-W76 PolarHBondContact SG-NE1 3.4Å; C74-W76 VanDerWaalsContact SG-NE1 3.42Å; C74-C88 CarbonylContact O-C 3.58Å; C74-C88 WeakPolarHBondContact O-CA 3.3Å; C74-F89 HydrophobicContact CB-CB 4.47Å; C74-F89 PolarHBondContact N-O 3.16Å; C74-F89 PolarHBondContact O-N 3.43Å; C74-K91 HydrophobicContact CB-CD 3.67Å; C74-K91 VanDerWaalsContact CB-CE 3.42Å; C74-K91 HydrophobicContact CB-CG 3.89Å; C74-K91 WeakPolarHBondContact SG-CE 3.39Å; C74-K91 PolarHBondContact SG-NZ 3.21Å
75L98.1Very high96.3Very high0 Ų051 Ų510%026%0.26CS..EExtended strand (participates in β ladder)trans-110.4102.3-178.2-49.8169000108.8S55 L56 C88 L125 L128 I129 M132S55-L75 CarbonylContact C-O 3.47Å; S55-L75 VanDerWaalsContact CA-O 3.24Å; S55-L75 WeakPolarHBondContact CA-O 3.4Å; L56-L75 HydrophobicContact CB-CB 4.25Å; L56-L75 HydrophobicContact CB-CD1 4.42Å; L56-L75 PolarHBondContact N-O 3.46Å; L56-L75 PolarHBondContact O-N 3.21Å; L75-C88 HydrophobicContact CD2-CB 3.82Å; L75-C88 WeakPolarHBondContact CD2-SG 3.35Å; L75-L125 HydrophobicContact CD1-CD2 4.19Å; L75-L128 HydrophobicContact CD2-CD2 4.46Å; L75-I129 HydrophobicContact CD1-CD1 4.08Å; L75-I129 HydrophobicContact CD1-CG1 4.05Å; L75-M132 HydrophobicContact CD2-CE 3.91Å; L75-M132 HydrophobicContact CD2-SD 4.01Å
76W97.9Very high96.5Very high16 Ų1641.3 Ų41.36%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-81.3128.1176.9-70.597.8000111D41 Y43 L53 C74 P86 I87 F89D41-W76 HydrophobicContact CB-CH2 3.57Å; D41-W76 HydrophobicContact CB-CZ3 4.12Å; D41-W76 WeakPolarHBondContact O-CZ3 3.47Å; Y43-W76 AromaticContact CD2-CD1 3.88Å; Y43-W76 AromaticContact CD2-CD2 3.62Å; Y43-W76 HydrophobicContact CD2-CD2 3.62Å; Y43-W76 AromaticContact CD2-CE2 3.57Å; Y43-W76 HydrophobicContact CD2-CE3 4.15Å; Y43-W76 AromaticContact CD2-CG 3.81Å; Y43-W76 HydrophobicContact CD2-CG 3.81Å; Y43-W76 HydrophobicContact CD2-CH2 4.4Å; Y43-W76 AromaticContact CD2-CZ2 3.99Å; Y43-W76 HydrophobicContact CD2-CZ2 3.99Å; Y43-W76 AromaticContact CD2-NE1 3.73Å; Y43-W76 AromaticContact CE2-CD1 3.87Å; Y43-W76 HydrophobicContact CE2-CD2 4.36Å; Y43-W76 HydrophobicContact CE2-CG 4.11Å; Y43-W76 AromaticContact CE2-NE1 3.95Å; Y43-W76 HydrophobicContact CG-CD2 4.34Å; Y43-W76 HydrophobicContact CG-CE3 4.45Å; L53-W76 HydrophobicContact CB-CE3 3.78Å; L53-W76 HydrophobicContact CB-CZ3 3.96Å; C74-W76 PolarHBondContact SG-NE1 3.4Å; C74-W76 VanDerWaalsContact SG-NE1 3.42Å; W76-P86 CarbonylContact O-C 3.53Å; W76-P86 WeakPolarHBondContact O-CA 3.48Å; W76-P86 VanDerWaalsContact O-CB 3.3Å; W76-P86 WeakPolarHBondContact O-CB 3.48Å; W76-I87 HydrophobicContact CB-CB 4.2Å; W76-I87 WeakPolarHBondContact CB-O 3.37Å; W76-I87 PolarHBondContact N-O 3.41Å; W76-I87 PolarHBondContact O-N 2.89Å; W76-F89 AromaticContact CD1-CD2 3.87Å; W76-F89 AromaticContact CD1-CE2 3.89Å
77L97.5Very high96.8Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-101122.3179.1-49.4-175.5000109Y16 T22 I26 V54 Y81 P86 L125Y16-L77 HydrophobicContact CE1-CB 4.2Å; Y16-L77 PolarHBondContact OH-O 3.15Å; T22-L77 HydrophobicContact CG2-CD1 3.97Å; I26-L77 HydrophobicContact CD1-CD1 3.65Å; I26-L77 HydrophobicContact CG1-CD1 3.71Å; V54-L77 PolarHBondContact O-N 3.1Å; L77-Y81 HydrophobicContact CB-CG 4.35Å; L77-Y81 HydrophobicContact CD2-CD2 4.19Å; L77-Y81 HydrophobicContact CD2-CE2 4.27Å; L77-P86 HydrophobicContact CD2-CB 3.8Å; L77-L125 HydrophobicContact CD1-CD1 4.13Å; L77-L125 HydrophobicContact CD2-CD1 3.89Å; L77-L125 HydrophobicContact CD2-CD2 3.82Å; L77-L125 HydrophobicContact CD2-CG 4.34Å
78L96.5Very high96.9Very high31 Ų3134.9 Ų34.916%0.16217%0.173CC..PPolyproline II helixtrans-69.2156.8175-62.6177.7000111.2Y16 F45 L53 T80 Y81 N84 I87Y16-L78 WeakPolarHBondContact CD1-O 3.49Å; Y16-L78 WeakPolarHBondContact CE1-O 3.32Å; F45-L78 HydrophobicContact CE1-CD2 3.92Å; F45-L78 HydrophobicContact CZ-CD2 3.95Å; L53-L78 HydrophobicContact CD1-CD2 4.01Å; L78-T80 PolarHBondContact O-N 3.44Å; L78-Y81 WeakPolarHBondContact O-CB 3.44Å; L78-Y81 PolarHBondContact O-N 3.25Å; L78-N84 HydrophobicContact CD1-CB 4Å; L78-I87 HydrophobicContact CD2-CD1 4.1Å
79D94.4Very high97Very high45 Ų4530.6 Ų30.624%0.24115%0.15CC..THydrogen-bonded Turntrans-55.9-17.9175.353.715.1000114.4K17 R51K17-D79 PolarHBondContact N-O 3.45Å; R51-D79 IonicContact NH1-OD2 2.79Å; R51-D79 PolarHBondContact NH1-OD2 3.16Å
80T96.2Very high97.1Very high35 Ų3525.8 Ų25.822%0.21513%0.132CC..THydrogen-bonded Turntrans-101.72.2179.642.60000114Y18 L78 Y83 N84Y18-T80 WeakPolarHBondContact CD2-O 3.39Å; L78-T80 PolarHBondContact O-N 3.44Å; T80-Y83 PolarHBondContact O-N 2.78Å; T80-Y83 VanDerWaalsContact O-N 3.08Å; T80-N84 VanDerWaalsContact CB-ND2 3.33Å; T80-N84 WeakPolarHBondContact CB-ND2 3.39Å; T80-N84 PolarHBondContact OG1-ND2 2.68Å
81Y97.2Very high97.1Very high0 Ų025.5 Ų25.50%013%0.126CC..THydrogen-bonded Turntrans-53.3138.9170.7-170.3-91.3000111Y18 T22 E25 L77 L78 W118 L125Y18-Y81 WeakPolarHBondContact CB-O 3.42Å; Y18-Y81 WeakPolarHBondContact CD2-O 3.27Å; T22-Y81 HydrophobicContact CG2-CD1 3.85Å; T22-Y81 PolarHBondContact OG1-O 2.79Å; E25-Y81 HydrophobicContact CB-CE1 4.27Å; E25-Y81 VanDerWaalsContact CD-OH 3.28Å; E25-Y81 PolarHBondContact OE2-OH 2.98Å; L77-Y81 HydrophobicContact CB-CG 4.35Å; L77-Y81 HydrophobicContact CD2-CD2 4.19Å; L77-Y81 HydrophobicContact CD2-CE2 4.27Å; L78-Y81 WeakPolarHBondContact O-CB 3.44Å; L78-Y81 PolarHBondContact O-N 3.25Å; Y81-W118 AromaticContact CE2-CH2 4Å; Y81-W118 HydrophobicContact CE2-CH2 4Å; Y81-W118 AromaticContact CE2-CZ2 3.57Å; Y81-W118 HydrophobicContact CE2-CZ2 3.57Å; Y81-W118 AromaticContact CZ-CZ2 3.94Å; Y81-W118 WeakPolarHBondContact OH-CZ2 3.47Å; Y81-L125 HydrophobicContact CE1-CD1 4.12Å; Y81-L125 HydrophobicContact CE2-CD1 4.4Å; Y81-L125 HydrophobicContact CE2-CG 4.22Å; Y81-L125 VanDerWaalsContact OH-CG 3.27Å; Y81-L125 WeakPolarHBondContact OH-CG 3.4Å; Y81-L125 PolarHBondContact OH-N 2.73Å
82P96.8Very high96.9Very high0 Ų027.4 Ų27.40%014%0.139CC..THydrogen-bonded Turncis-90.87.48.236.3-37.3000115.8L21 N84 W118 H120L21-P82 HydrophobicContact CB-CG 4.23Å; L21-P82 HydrophobicContact CD1-CG 4.03Å; P82-N84 VanDerWaalsContact C-N 3.33Å; P82-N84 PolarHBondContact O-N 2.97Å; P82-W118 PolarHBondContact O-NE1 3.47Å; P82-H120 HydrophobicContact CB-CB 4.36Å; P82-H120 HydrophobicContact CG-CB 4.33Å; P82-H120 WeakPolarHBondContact CG-ND1 3.49Å
83Y97Very high96.7Very high116 Ų11630.2 Ų30.246%0.45516%0.156SC..SBendtrans-78.1-19.4-175.6-66.8-86.1000113.8Y18 T80 H120Y18-Y83 HydrophobicContact CD1-CD2 4.24Å; Y18-Y83 AromaticContact CD1-CE2 3.69Å; Y18-Y83 HydrophobicContact CD1-CE2 3.69Å; Y18-Y83 AromaticContact CD2-CD2 3.55Å; Y18-Y83 HydrophobicContact CD2-CD2 3.55Å; Y18-Y83 AromaticContact CD2-CE2 3.87Å; Y18-Y83 HydrophobicContact CD2-CE2 3.87Å; Y18-Y83 AromaticContact CE1-CD2 4Å; Y18-Y83 HydrophobicContact CE1-CD2 4Å; Y18-Y83 AromaticContact CE1-CE2 3.52Å; Y18-Y83 HydrophobicContact CE1-CE2 3.52Å; Y18-Y83 AromaticContact CE2-CD2 3.29Å; Y18-Y83 HydrophobicContact CE2-CD2 3.29Å; Y18-Y83 AromaticContact CE2-CE2 3.73Å; Y18-Y83 HydrophobicContact CE2-CE2 3.73Å; Y18-Y83 HydrophobicContact CE2-CG 4.29Å; Y18-Y83 HydrophobicContact CG-CD2 4.02Å; Y18-Y83 AromaticContact CG-CE2 3.84Å; Y18-Y83 HydrophobicContact CG-CE2 3.84Å; Y18-Y83 AromaticContact CZ-CD2 3.52Å; Y18-Y83 AromaticContact CZ-CE2 3.54Å; T80-Y83 PolarHBondContact O-N 2.78Å; T80-Y83 VanDerWaalsContact O-N 3.08Å; Y83-H120 HydrophobicContact CD1-CB 4.26Å; Y83-H120 HydrophobicContact CE1-CB 4.47Å
84N96.5Very high96.3Very high71 Ų7135.8 Ų35.838%0.3820%0.195SC..SBendtrans-112.1144.9168.4-72-60.3000110L78 T80 P82L78-N84 HydrophobicContact CD1-CB 4Å; T80-N84 VanDerWaalsContact CB-ND2 3.33Å; T80-N84 WeakPolarHBondContact CB-ND2 3.39Å; T80-N84 PolarHBondContact OG1-ND2 2.68Å; P82-N84 VanDerWaalsContact C-N 3.33Å; P82-N84 PolarHBondContact O-N 2.97Å
85P97.8Very high95.9Very high42 Ų4238.6 Ų38.627%0.27322%0.218SC..PPolyproline II helixtrans-64.8155.8178.925.5-33000111.9L115 W118P85-L115 HydrophobicContact CB-CD2 4.03Å; P85-W118 HydrophobicContact CB-CB 3.71Å; P85-W118 HydrophobicContact CB-CD2 3.84Å; P85-W118 HydrophobicContact CB-CE3 4.16Å; P85-W118 HydrophobicContact CB-CG 3.63Å; P85-W118 HydrophobicContact CG-CB 4.13Å; P85-W118 HydrophobicContact CG-CG 4.33Å
86P97.7Very high95.7Very high5 Ų541 Ų413%0.03223%0.23CC..PPolyproline II helixtrans-69.6153.7169.631.4-35000111.6W76 L77 L115 W118 L125 L128W76-P86 CarbonylContact O-C 3.53Å; W76-P86 WeakPolarHBondContact O-CA 3.48Å; W76-P86 VanDerWaalsContact O-CB 3.3Å; W76-P86 WeakPolarHBondContact O-CB 3.48Å; L77-P86 HydrophobicContact CD2-CB 3.8Å; P86-L115 HydrophobicContact CG-CD2 3.97Å; P86-W118 HydrophobicContact CG-CH2 4.44Å; P86-W118 HydrophobicContact CG-CZ3 4.31Å; P86-L125 HydrophobicContact CB-CD2 4.32Å; P86-L125 HydrophobicContact CG-CD2 4.02Å; P86-L128 HydrophobicContact CG-CD2 3.37Å
87I97.8Very high95.4Very high28 Ų2844.1 Ų44.114%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-94.9116.5170.8-48.4176.7000108.4Y43 W76 L78 F89Y43-I87 HydrophobicContact CE1-CD1 3.91Å; W76-I87 HydrophobicContact CB-CB 4.2Å; W76-I87 WeakPolarHBondContact CB-O 3.37Å; W76-I87 PolarHBondContact N-O 3.41Å; W76-I87 PolarHBondContact O-N 2.89Å; L78-I87 HydrophobicContact CD2-CD1 4.1Å; I87-F89 HydrophobicContact CB-CE2 4.36Å; I87-F89 HydrophobicContact CG2-CD2 4.37Å; I87-F89 HydrophobicContact CG2-CE2 3.47Å; I87-F89 VanDerWaalsContact CG2-CE2 3.47Å; I87-F89 HydrophobicContact CG2-CZ 3.88Å
88C98Very high95.3Very high1 Ų146.5 Ų46.51%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-110.7136.7-166.7-57.20000111.5C74 L75 K109 I110 L115C74-C88 CarbonylContact O-C 3.58Å; C74-C88 WeakPolarHBondContact O-CA 3.3Å; L75-C88 HydrophobicContact CD2-CB 3.82Å; L75-C88 WeakPolarHBondContact CD2-SG 3.35Å; C88-K109 WeakPolarHBondContact O-CA 3.5Å; C88-I110 HydrophobicContact CB-CB 3.9Å; C88-I110 HydrophobicContact CB-CD1 4Å; C88-I110 HydrophobicContact CB-CG1 4.43Å; C88-I110 PolarHBondContact O-N 2.93Å; C88-L115 HydrophobicContact CB-CD1 4.34Å
89F97.8Very high95.2Very high35 Ų3548.3 Ų48.315%0.15427%0.265CS..EExtended strand (participates in β ladder)trans-134.2149.4176-62.1-95.6000111.4Y43 V73 C74 W76 I87 G108 K109 I110Y43-F89 AromaticContact CE2-CE2 3.99Å; Y43-F89 HydrophobicContact CE2-CE2 3.99Å; Y43-F89 HydrophobicContact CE2-CZ 4.34Å; V73-F89 CarbonylContact C-O 3.53Å; V73-F89 VanDerWaalsContact CA-O 3.3Å; V73-F89 WeakPolarHBondContact CA-O 3.44Å; C74-F89 HydrophobicContact CB-CB 4.47Å; C74-F89 PolarHBondContact N-O 3.16Å; C74-F89 PolarHBondContact O-N 3.43Å; W76-F89 AromaticContact CD1-CD2 3.87Å; W76-F89 AromaticContact CD1-CE2 3.89Å; I87-F89 HydrophobicContact CB-CE2 4.36Å; I87-F89 HydrophobicContact CG2-CD2 4.37Å; I87-F89 HydrophobicContact CG2-CE2 3.47Å; I87-F89 VanDerWaalsContact CG2-CE2 3.47Å; I87-F89 HydrophobicContact CG2-CZ 3.88Å; F89-G108 CarbonylContact C-O 3.6Å; F89-G108 VanDerWaalsContact CA-O 3.22Å; F89-G108 WeakPolarHBondContact CA-O 3.1Å; F89-K109 HydrophobicContact CD1-CB 3.83Å; F89-K109 HydrophobicContact CD1-CG 4.3Å; F89-K109 HydrophobicContact CE1-CB 3.63Å; F89-K109 HydrophobicContact CE1-CD 4.16Å; F89-K109 HydrophobicContact CE1-CG 3.9Å; F89-K109 HydrophobicContact CZ-CB 4.44Å; F89-K109 HydrophobicContact CZ-CD 4.25Å; F89-K109 HydrophobicContact CZ-CG 4.23Å; F89-I110 VanDerWaalsContact C-CD1 3.47Å
90V97.2Very high95.1Very high4 Ų450.3 Ų50.32%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-85.4136.3157.5-66.10000109.6I71 P72 P92 I98 I104 G108 I110 F136 P141 V142I71-V90 HydrophobicContact CG2-CG1 4.48Å; P72-V90 WeakPolarHBondContact O-CA 3.42Å; V90-P92 WeakPolarHBondContact O-CD 3.44Å; V90-I98 HydrophobicContact CG2-CG1 4.08Å; V90-I104 HydrophobicContact CG1-CD1 4.09Å; V90-I104 HydrophobicContact CG2-CD1 4.4Å; V90-I104 HydrophobicContact CG2-CG2 4.32Å; V90-G108 WeakPolarHBondContact CG2-O 3.46Å; V90-G108 PolarHBondContact N-O 3.3Å; V90-I110 HydrophobicContact CG1-CD1 3.83Å; V90-I110 HydrophobicContact CG1-CG1 4.19Å; V90-F136 HydrophobicContact CG1-CE2 4.41Å; V90-F136 HydrophobicContact CG1-CZ 4.23Å; V90-P141 HydrophobicContact CG1-CB 3.83Å; V90-P141 HydrophobicContact CG1-CG 3.98Å; V90-V142 HydrophobicContact CB-CG1 4.32Å; V90-V142 HydrophobicContact CG2-CG1 4.25Å
91K94.8Very high94.9Very high83 Ų8350.4 Ų50.436%0.36129%0.287SS..  trans-113.983-179.9-76.8-165.3171.7171.90110.1T57 P72 C74T57-K91 HydrophobicContact CG2-CD 4.41Å; P72-K91 WeakPolarHBondContact CB-O 3.28Å; P72-K91 WeakPolarHBondContact CG-O 3.27Å; P72-K91 PolarHBondContact O-N 3.37Å; C74-K91 HydrophobicContact CB-CD 3.67Å; C74-K91 VanDerWaalsContact CB-CE 3.42Å; C74-K91 HydrophobicContact CB-CG 3.89Å; C74-K91 WeakPolarHBondContact SG-CE 3.39Å; C74-K91 PolarHBondContact SG-NZ 3.21Å
92P93.8Very high94.7Very high49 Ų4958.8 Ų58.832%0.31832%0.324SS..  trans-58.4142.7-178.629.2-38.8000111.1V90 M96 I98 V142V90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-M96 HydrophobicContact CB-CB 3.78Å; P92-I98 HydrophobicContact CB-CG1 4.44Å; P92-I98 HydrophobicContact CG-CD1 3.97Å; P92-I98 HydrophobicContact CG-CG1 3.84Å; P92-V142 HydrophobicContact CB-CG1 4.34Å
93T92.4Very high94.5Very high74 Ų7460.4 Ų60.445%0.45433%0.331SS..  trans-74.5170.8166.7650000110.4A95 M96T93-A95 PolarHBondContact O-N 2.91Å; T93-A95 VanDerWaalsContact O-N 3.12Å; T93-M96 HydrophobicContact CG2-SD 4.27Å; T93-M96 PolarHBondContact O-N 3.15Å; T93-M96 WeakPolarHBondContact OG1-CG 3.49Å
94S89.8Confident94.4Very high117 Ų11755.3 Ų55.382%0.81831%0.312SS*.THydrogen-bonded Turntrans-57.8-25.8175.952.40000113.4M96 R145S94-M96 VanDerWaalsContact C-N 3.33Å; S94-R145 WeakPolarHBondContact O-CD 3.48Å; S94-R145 PolarHBondContact O-NE 3.46Å
95A89.8Confident94.3Very high59 Ų5953.8 Ų53.849%0.48830%0.304SS..THydrogen-bonded Turntrans-87.53.5176.200000113.6T93 S144 R145T93-A95 PolarHBondContact O-N 2.91Å; T93-A95 VanDerWaalsContact O-N 3.12Å; A95-S144 CarbonylContact O-C 3.55Å; A95-S144 WeakPolarHBondContact O-CA 3.35Å; A95-R145 PolarHBondContact O-N 3.42Å
96M93.3Very high94.1Very high49 Ų4955.3 Ų55.324%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-117.6164-177.5-68.7171.9176.200111.9P72 P92 T93 S94 V142 F143 R145P72-M96 HydrophobicContact CG-SD 4.1Å; P92-M96 HydrophobicContact CB-CB 3.78Å; T93-M96 HydrophobicContact CG2-SD 4.27Å; T93-M96 PolarHBondContact O-N 3.15Å; T93-M96 WeakPolarHBondContact OG1-CG 3.49Å; S94-M96 VanDerWaalsContact C-N 3.33Å; M96-V142 HydrophobicContact SD-CG2 4.14Å; M96-F143 CarbonylContact C-O 3.47Å; M96-F143 WeakPolarHBondContact CA-O 3.45Å; M96-R145 PolarHBondContact O-NE 3.2Å; M96-R145 VanDerWaalsContact O-NE 3.13Å
97M91.9Very high93.8Very high83 Ų8361.2 Ų61.241%0.40935%0.351SS..EExtended strand (participates in β ladder)trans-134.5144.3169.2-64.2-172.5-61.100109.6V142 F143 R145M97-V142 CarbonylContact O-C 3.59Å; M97-V142 WeakPolarHBondContact O-CA 3.34Å; M97-F143 PolarHBondContact N-O 2.94Å; M97-F143 PolarHBondContact O-N 3.02Å; M97-R145 HydrophobicContact CE-CG 4.25Å; M97-R145 HydrophobicContact CG-CG 3.51Å; M97-R145 HydrophobicContact SD-CG 3.94Å
98I95.6Very high93.7Very high50 Ų5059.9 Ų59.926%0.25634%0.344SS..EExtended strand (participates in β ladder)trans-69.7133.4173.5-68.9157.8000108.6V90 P92 I104V90-I98 HydrophobicContact CG2-CG1 4.08Å; P92-I98 HydrophobicContact CB-CG1 4.44Å; P92-I98 HydrophobicContact CG-CD1 3.97Å; P92-I98 HydrophobicContact CG-CG1 3.84Å; I98-I104 HydrophobicContact CG2-CG2 3.82Å
99K93.6Very high93.6Very high68 Ų6862.4 Ų62.430%0.29636%0.355SS..  trans-95.8105.9165.7-171.4-158.2-163.7-154.90108E139 P140 P141 F143K99-E139 HydrophobicContact CD-CG 4.34Å; K99-E139 IonicContact NZ-OE1 2.89Å; K99-E139 PolarHBondContact NZ-OE1 2.89Å; K99-P140 VanDerWaalsContact CD-O 3.3Å; K99-P140 WeakPolarHBondContact CD-O 3.15Å; K99-P141 PolarHBondContact N-O 3.12Å; K99-F143 HydrophobicContact CB-CD2 3.83Å; K99-F143 HydrophobicContact CB-CE2 3.65Å; K99-F143 HydrophobicContact CD-CD2 4.27Å; K99-F143 HydrophobicContact CD-CE2 3.26Å; K99-F143 HydrophobicContact CD-CZ 3.65Å; K99-F143 HydrophobicContact CG-CD2 4.07Å; K99-F143 HydrophobicContact CG-CE2 3.44Å; K99-F143 VanDerWaalsContact CG-CE2 3.44Å; K99-F143 HydrophobicContact CG-CZ 4.33Å
100T92.8Very high93.6Very high87 Ų8761 Ų6153%0.53435%0.349SS..  trans-65.1142.5171.456.10000110I104 A106T100-I104 WeakPolarHBondContact CA-O 3.41Å; T100-A106 HydrophobicContact CG2-CB 4.11Å
101G90.8Very high93.7Very high38 Ų3866 Ų6639%0.39237%0.368SS..BIsolated β-bridgetrans-168.4-163.9-178.600000111.7H103 I104G101-H103 PolarHBondContact O-N 3Å; G101-I104 PolarHBondContact N-O 3.34Å; G101-I104 PolarHBondContact O-N 2.99Å; G101-I104 VanDerWaalsContact O-O 3.05Å
102K92.8Very high93.7Very high175 Ų17562.3 Ų62.376%0.76135%0.353SS*.THydrogen-bonded Turntrans-58.2-34.1-178.8-178179.8176.4-173.20113
103H93.8Very high93.9Very high34 Ų3463.8 Ų63.816%0.15736%0.362CS..THydrogen-bonded Turntrans-106.3-3-173.3-62.7-60.8000113.5G101 I110 Y111 L112 V135G101-H103 PolarHBondContact O-N 3Å; H103-I110 CarbonylContact O-C 3.45Å; H103-I110 WeakPolarHBondContact O-CA 3.46Å; H103-Y111 WeakPolarHBondContact CA-O 3.46Å; H103-Y111 WeakPolarHBondContact CB-O 3.44Å; H103-Y111 PolarHBondContact ND1-O 3.35Å; H103-Y111 PolarHBondContact O-N 3.35Å; H103-L112 HydrophobicContact CB-CD2 4.26Å; H103-V135 HydrophobicContact CB-CG1 4.36Å
104I95.2Very high94.1Very high10 Ų1062.8 Ų62.85%0.05135%0.35CS..BIsolated β-bridgetrans-144129.4-172-62.8-174000111.4V90 I98 T100 G101 K109 I110 F136 P141V90-I104 HydrophobicContact CG1-CD1 4.09Å; V90-I104 HydrophobicContact CG2-CD1 4.4Å; V90-I104 HydrophobicContact CG2-CG2 4.32Å; I98-I104 HydrophobicContact CG2-CG2 3.82Å; T100-I104 WeakPolarHBondContact CA-O 3.41Å; G101-I104 PolarHBondContact N-O 3.34Å; G101-I104 PolarHBondContact O-N 2.99Å; G101-I104 VanDerWaalsContact O-O 3.05Å; I104-K109 WeakPolarHBondContact CA-O 3.48Å; I104-I110 HydrophobicContact CD1-CG1 4.4Å; I104-I110 HydrophobicContact CG1-CG1 4.31Å; I104-F136 HydrophobicContact CD1-CE1 3.86Å; I104-F136 HydrophobicContact CD1-CZ 4.26Å; I104-P141 HydrophobicContact CD1-CB 2.98Å; I104-P141 HydrophobicContact CD1-CG 4.3Å; I104-P141 HydrophobicContact CG1-CB 4.44Å
105D93.4Very high94.5Very high39 Ų3958.3 Ų58.321%0.20932%0.317CS..  trans-87.6177.5175.175.77.5000113.3N107 G108 K109 Y111D105-N107 PolarHBondContact O-N 3.32Å; D105-N107 WeakPolarHBondContact OD1-CA 3.26Å; D105-N107 WeakPolarHBondContact OD1-CB 2.88Å; D105-N107 PolarHBondContact OD1-N 3.2Å; D105-G108 PolarHBondContact O-N 2.64Å; D105-G108 PolarHBondContact OD1-N 3.26Å; D105-K109 PolarHBondContact N-O 3.23Å; D105-K109 VanDerWaalsContact N-O 3.15Å; D105-K109 WeakPolarHBondContact OD1-CB 3.46Å; D105-K109 PolarHBondContact OD1-N 3.48Å; D105-K109 WeakPolarHBondContact OD2-CB 3.44Å; D105-Y111 HydrophobicContact CB-CE2 3.94Å; D105-Y111 PolarHBondContact OD2-OH 3.24Å
106A93.1Very high94.8Very high74 Ų7463.5 Ų63.561%0.61233%0.331SS*.THydrogen-bonded Turntrans-63-22.9179.100000114T100 G108T100-A106 HydrophobicContact CG2-CB 4.11Å; A106-G108 VanDerWaalsContact C-N 3.29Å
107N93.3Very high94.9Very high128 Ų12868.1 Ų68.168%0.68435%0.352SS*.THydrogen-bonded Turntrans-87.4-1.9177.2-59.6-44.7000112.1D105 K109D105-N107 PolarHBondContact O-N 3.32Å; D105-N107 WeakPolarHBondContact OD1-CA 3.26Å; D105-N107 WeakPolarHBondContact OD1-CB 2.88Å; D105-N107 PolarHBondContact OD1-N 3.2Å; N107-K109 VanDerWaalsContact C-N 3.31Å
108G94.7Very high95.2Very high0 Ų065.3 Ų65.30%034%0.337CS..  trans79.911.1-177.600000113.5F89 V90 D105 A106F89-G108 CarbonylContact C-O 3.6Å; F89-G108 VanDerWaalsContact CA-O 3.22Å; F89-G108 WeakPolarHBondContact CA-O 3.1Å; V90-G108 WeakPolarHBondContact CG2-O 3.46Å; V90-G108 PolarHBondContact N-O 3.3Å; D105-G108 PolarHBondContact O-N 2.64Å; D105-G108 PolarHBondContact OD1-N 3.26Å; A106-G108 VanDerWaalsContact C-N 3.29Å
109K96.9Very high95.3Very high54 Ų5469.3 Ų69.324%0.23535%0.352CS..BIsolated β-bridgetrans-70.4137.5175.3-171.8171.1171.1179.40109.9C88 F89 I104 D105 N107 Y111C88-K109 WeakPolarHBondContact O-CA 3.5Å; F89-K109 HydrophobicContact CD1-CB 3.83Å; F89-K109 HydrophobicContact CD1-CG 4.3Å; F89-K109 HydrophobicContact CE1-CB 3.63Å; F89-K109 HydrophobicContact CE1-CD 4.16Å; F89-K109 HydrophobicContact CE1-CG 3.9Å; F89-K109 HydrophobicContact CZ-CB 4.44Å; F89-K109 HydrophobicContact CZ-CD 4.25Å; F89-K109 HydrophobicContact CZ-CG 4.23Å; I104-K109 WeakPolarHBondContact CA-O 3.48Å; D105-K109 PolarHBondContact N-O 3.23Å; D105-K109 VanDerWaalsContact N-O 3.15Å; D105-K109 WeakPolarHBondContact OD1-CB 3.46Å; D105-K109 PolarHBondContact OD1-N 3.48Å; D105-K109 WeakPolarHBondContact OD2-CB 3.44Å; N107-K109 VanDerWaalsContact C-N 3.31Å; K109-Y111 HydrophobicContact CB-CE2 3.93Å; K109-Y111 HydrophobicContact CD-CE2 4.26Å; K109-Y111 WeakPolarHBondContact CD-OH 3.16Å; K109-Y111 HydrophobicContact CG-CE2 3.93Å; K109-Y111 WeakPolarHBondContact O-CD2 3.48Å; K109-Y111 WeakPolarHBondContact O-CE2 3.24Å
110I97.8Very high95.3Very high5 Ų568.3 Ų68.33%0.02635%0.349CS..BIsolated β-bridgetrans-101.1131.3-171.6-59163.5000110C88 F89 V90 H103 I104 L112 M132 F136C88-I110 HydrophobicContact CB-CB 3.9Å; C88-I110 HydrophobicContact CB-CD1 4Å; C88-I110 HydrophobicContact CB-CG1 4.43Å; C88-I110 PolarHBondContact O-N 2.93Å; F89-I110 VanDerWaalsContact C-CD1 3.47Å; V90-I110 HydrophobicContact CG1-CD1 3.83Å; V90-I110 HydrophobicContact CG1-CG1 4.19Å; H103-I110 CarbonylContact O-C 3.45Å; H103-I110 WeakPolarHBondContact O-CA 3.46Å; I104-I110 HydrophobicContact CD1-CG1 4.4Å; I104-I110 HydrophobicContact CG1-CG1 4.31Å; I110-L112 HydrophobicContact CG2-CD1 3.92Å; I110-L112 HydrophobicContact CG2-CG 3.84Å; I110-M132 HydrophobicContact CD1-CE 3.38Å; I110-F136 HydrophobicContact CD1-CE2 4.49Å; I110-F136 HydrophobicContact CD1-CZ 3.87Å; I110-F136 HydrophobicContact CG1-CZ 4.26Å; I110-F136 HydrophobicContact CG2-CZ 4.32Å
111Y97.4Very high95.5Very high110 Ų11068.6 Ų68.643%0.43135%0.352SS..  trans-123.3109.1-178.8-62.5-92.3000109.5H103 D105 K109H103-Y111 WeakPolarHBondContact CA-O 3.46Å; H103-Y111 WeakPolarHBondContact CB-O 3.44Å; H103-Y111 PolarHBondContact ND1-O 3.35Å; H103-Y111 PolarHBondContact O-N 3.35Å; D105-Y111 HydrophobicContact CB-CE2 3.94Å; D105-Y111 PolarHBondContact OD2-OH 3.24Å; K109-Y111 HydrophobicContact CB-CE2 3.93Å; K109-Y111 HydrophobicContact CD-CE2 4.26Å; K109-Y111 WeakPolarHBondContact CD-OH 3.16Å; K109-Y111 HydrophobicContact CG-CE2 3.93Å; K109-Y111 WeakPolarHBondContact O-CD2 3.48Å; K109-Y111 WeakPolarHBondContact O-CE2 3.24Å
112L96.6Very high95.8Very high6 Ų672.8 Ų72.83%0.03136%0.361CS..  trans-126.4145-179-66.6171.9000110H103 I110 Y114 L115 H116 L128 V131 M132 V135H103-L112 HydrophobicContact CB-CD2 4.26Å; I110-L112 HydrophobicContact CG2-CD1 3.92Å; I110-L112 HydrophobicContact CG2-CG 3.84Å; L112-Y114 PolarHBondContact O-N 2.94Å; L112-L115 HydrophobicContact CB-CD1 4.29Å; L112-L115 HydrophobicContact CB-CG 4.3Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.83Å; L112-H116 PolarHBondContact O-N 2.59Å; L112-L128 HydrophobicContact CD1-CD1 3.95Å; L112-V131 HydrophobicContact CD1-CG1 4.27Å; L112-M132 HydrophobicContact CD1-CG 3.68Å; L112-V135 HydrophobicContact CD2-CB 4.24Å; L112-V135 HydrophobicContact CD2-CG1 3.99Å; L112-V135 HydrophobicContact CD2-CG2 4.01Å
113P96.8Very high96Very high79 Ų7964.8 Ų64.851%0.51333%0.327SS..Hα-helixtrans-52.1-38.3170.8-26.935.3000112.2L115 H116 E117P113-L115 VanDerWaalsContact C-N 3.26Å; P113-L115 PolarHBondContact O-N 2.85Å; P113-H116 WeakPolarHBondContact O-CB 3.33Å; P113-H116 PolarHBondContact O-N 3.48Å; P113-E117 PolarHBondContact O-N 3.1Å
114Y97.3Very high96.2Very high54 Ų5465.7 Ų65.721%0.21233%0.333CS..Hα-helixtrans-59.4-32.1176.4-164.1-88.8000113.9L112 W118 S123 D124 L128 V131L112-Y114 PolarHBondContact O-N 2.94Å; Y114-W118 HydrophobicContact CD1-CE3 4.1Å; Y114-W118 HydrophobicContact CD1-CZ3 4.19Å; Y114-W118 AromaticContact CE1-CE3 3.94Å; Y114-W118 HydrophobicContact CE1-CE3 3.94Å; Y114-W118 AromaticContact CE1-CZ3 3.76Å; Y114-W118 HydrophobicContact CE1-CZ3 3.76Å; Y114-W118 PolarHBondContact O-N 3.26Å; Y114-S123 WeakPolarHBondContact OH-CA 3.26Å; Y114-D124 PolarHBondContact OH-N 3Å; Y114-D124 VanDerWaalsContact OH-N 3.15Å; Y114-L128 HydrophobicContact CD1-CB 3.94Å; Y114-L128 HydrophobicContact CD1-CD1 3.94Å; Y114-L128 HydrophobicContact CE1-CB 3.83Å; Y114-V131 HydrophobicContact CD2-CG2 3.89Å; Y114-V131 HydrophobicContact CE2-CG2 4.43Å; Y114-V131 HydrophobicContact CG-CG2 4.2Å
115L97.1Very high96.2Very high22 Ų2265.2 Ų65.212%0.11533%0.331CS..Hα-helixtrans-78.2-34174.7-69.2170.1000111.7P85 P86 C88 L112 P113 W118 L128P85-L115 HydrophobicContact CB-CD2 4.03Å; P86-L115 HydrophobicContact CG-CD2 3.97Å; C88-L115 HydrophobicContact CB-CD1 4.34Å; L112-L115 HydrophobicContact CB-CD1 4.29Å; L112-L115 HydrophobicContact CB-CG 4.3Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.83Å; P113-L115 VanDerWaalsContact C-N 3.26Å; P113-L115 PolarHBondContact O-N 2.85Å; L115-W118 HydrophobicContact CD2-CE3 4.42Å; L115-W118 WeakPolarHBondContact O-CB 3.23Å; L115-L128 HydrophobicContact CD1-CD1 4.38Å; L115-L128 HydrophobicContact CD2-CD1 3.69Å; L115-L128 HydrophobicContact CD2-CD2 3.81Å; L115-L128 HydrophobicContact CD2-CG 4.42Å; L115-L128 HydrophobicContact CG-CD1 3.8Å
116H96.4Very high96.4Very high169 Ų16966.8 Ų66.878%0.78234%0.335SS*.Hα-helixtrans-71.4-39.7179.6-173.865.6000112.2L112 P113 W118L112-H116 PolarHBondContact O-N 2.59Å; P113-H116 WeakPolarHBondContact O-CB 3.33Å; P113-H116 PolarHBondContact O-N 3.48Å; H116-W118 VanDerWaalsContact C-N 3.28Å; H116-W118 PolarHBondContact O-N 2.9Å
117E96.6Very high96.6Very high146 Ų14664 Ų6468%0.68231%0.313SS*.THydrogen-bonded Turntrans-93.717179.9-62.6174.5-167.100112.4P113 K119P113-E117 PolarHBondContact O-N 3.1Å; E117-K119 PolarHBondContact O-N 2.93Å
118W98.1Very high96.8Very high23 Ų2358 Ų589%0.08728%0.281CS..  trans-58.3123.5-174.6-177.5-80.1000111.8Y81 P82 P85 P86 Y114 L115 H116 S123 D124 L128Y81-W118 AromaticContact CE2-CH2 4Å; Y81-W118 HydrophobicContact CE2-CH2 4Å; Y81-W118 AromaticContact CE2-CZ2 3.57Å; Y81-W118 HydrophobicContact CE2-CZ2 3.57Å; Y81-W118 AromaticContact CZ-CZ2 3.94Å; Y81-W118 WeakPolarHBondContact OH-CZ2 3.47Å; P82-W118 PolarHBondContact O-NE1 3.47Å; P85-W118 HydrophobicContact CB-CB 3.71Å; P85-W118 HydrophobicContact CB-CD2 3.84Å; P85-W118 HydrophobicContact CB-CE3 4.16Å; P85-W118 HydrophobicContact CB-CG 3.63Å; P85-W118 HydrophobicContact CG-CB 4.13Å; P85-W118 HydrophobicContact CG-CG 4.33Å; P86-W118 HydrophobicContact CG-CH2 4.44Å; P86-W118 HydrophobicContact CG-CZ3 4.31Å; Y114-W118 HydrophobicContact CD1-CE3 4.1Å; Y114-W118 HydrophobicContact CD1-CZ3 4.19Å; Y114-W118 AromaticContact CE1-CE3 3.94Å; Y114-W118 HydrophobicContact CE1-CE3 3.94Å; Y114-W118 AromaticContact CE1-CZ3 3.76Å; Y114-W118 HydrophobicContact CE1-CZ3 3.76Å; Y114-W118 PolarHBondContact O-N 3.26Å; L115-W118 HydrophobicContact CD2-CE3 4.42Å; L115-W118 WeakPolarHBondContact O-CB 3.23Å; H116-W118 VanDerWaalsContact C-N 3.28Å; H116-W118 PolarHBondContact O-N 2.9Å; W118-S123 WeakPolarHBondContact CA-OG 3.44Å; W118-D124 VanDerWaalsContact CH2-C 3.41Å; W118-L128 HydrophobicContact CZ3-CB 4.19Å; W118-L128 HydrophobicContact CZ3-CD2 4.27Å
119K97.3Very high96.9Very high135 Ų13558 Ų5859%0.58728%0.281SS*.  trans-147.9116.3178.8-171.2-179.8-180175.70111E117 Q122 S123E117-K119 PolarHBondContact O-N 2.93Å; K119-Q122 CarbonylContact O-C 3.57Å; K119-Q122 WeakPolarHBondContact O-CA 3.17Å; K119-Q122 WeakPolarHBondContact O-CB 3.33Å; K119-Q122 PolarHBondContact O-N 3.38Å; K119-Q122 PolarHBondContact O-OE1 2.78Å; K119-Q122 VanDerWaalsContact O-OE1 3.1Å; K119-S123 PolarHBondContact N-OG 3.45Å; K119-S123 PolarHBondContact O-N 3.29Å
120H94.5Very high96.9Very high47 Ų4758.7 Ų58.722%0.21829%0.285CS..THydrogen-bonded Turntrans-72.4137.2172-175.176.5000110.8P82 Y83 Q122P82-H120 HydrophobicContact CB-CB 4.36Å; P82-H120 HydrophobicContact CG-CB 4.33Å; P82-H120 WeakPolarHBondContact CG-ND1 3.49Å; Y83-H120 HydrophobicContact CD1-CB 4.26Å; Y83-H120 HydrophobicContact CE1-CB 4.47Å; H120-Q122 PolarHBondContact O-OE1 3.1Å
121P96Very high96.9Very high93 Ų9360.6 Ų60.660%0.60430%0.297SS*.THydrogen-bonded Turncis-94.37.84.138.3-37000115.3S123P121-S123 VanDerWaalsContact C-N 3.32Å
122Q96.4Very high96.9Very high125 Ų12555.3 Ų55.358%0.58428%0.276SS*.THydrogen-bonded Turntrans-69.9-30.2-179.6-62.584.1300113K119 H120K119-Q122 CarbonylContact O-C 3.57Å; K119-Q122 WeakPolarHBondContact O-CA 3.17Å; K119-Q122 WeakPolarHBondContact O-CB 3.33Å; K119-Q122 PolarHBondContact O-N 3.38Å; K119-Q122 PolarHBondContact O-OE1 2.78Å; K119-Q122 VanDerWaalsContact O-OE1 3.1Å; H120-Q122 PolarHBondContact O-OE1 3.1Å
123S97.6Very high96.9Very high8 Ų856.5 Ų56.56%0.05628%0.282CS..  trans-106.1134.2178-520000111Y114 W118 K119 P121Y114-S123 WeakPolarHBondContact OH-CA 3.26Å; W118-S123 WeakPolarHBondContact CA-OG 3.44Å; K119-S123 PolarHBondContact N-OG 3.45Å; K119-S123 PolarHBondContact O-N 3.29Å; P121-S123 VanDerWaalsContact C-N 3.32Å
124D97Very high96.9Very high53 Ų5357 Ų5728%0.28328%0.284SS..  trans-143.5168.1176.168.934.5000111.6Y114 W118 Y126 G127 L128Y114-D124 PolarHBondContact OH-N 3Å; Y114-D124 VanDerWaalsContact OH-N 3.15Å; W118-D124 VanDerWaalsContact CH2-C 3.41Å; D124-Y126 VanDerWaalsContact C-N 3.27Å; D124-Y126 PolarHBondContact O-N 3.15Å; D124-Y126 PolarHBondContact OD1-N 3.39Å; D124-G127 PolarHBondContact OD1-N 2.94Å; D124-L128 PolarHBondContact O-N 3.09Å; D124-L128 VanDerWaalsContact O-N 3.07Å
125L96.8Very high96.8Very high0 Ų055.6 Ų55.60%028%0.281CS..Hα-helixtrans-64.5-31.4-178.7-82.2160.6000113.2E25 V29 L56 L75 L77 Y81 P86 L128 I129E25-L125 HydrophobicContact CB-CD1 4.37Å; E25-L125 PolarHBondContact OE2-N 3.5Å; V29-L125 HydrophobicContact CG2-CB 3.58Å; L56-L125 HydrophobicContact CD1-CD1 4.07Å; L75-L125 HydrophobicContact CD1-CD2 4.19Å; L77-L125 HydrophobicContact CD1-CD1 4.13Å; L77-L125 HydrophobicContact CD2-CD1 3.89Å; L77-L125 HydrophobicContact CD2-CD2 3.82Å; L77-L125 HydrophobicContact CD2-CG 4.34Å; Y81-L125 HydrophobicContact CE1-CD1 4.12Å; Y81-L125 HydrophobicContact CE2-CD1 4.4Å; Y81-L125 HydrophobicContact CE2-CG 4.22Å; Y81-L125 VanDerWaalsContact OH-CG 3.27Å; Y81-L125 WeakPolarHBondContact OH-CG 3.4Å; Y81-L125 PolarHBondContact OH-N 2.73Å; P86-L125 HydrophobicContact CB-CD2 4.32Å; P86-L125 HydrophobicContact CG-CD2 4.02Å; L125-L128 HydrophobicContact CD2-CD2 4.43Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 2.93Å
126Y96.3Very high96.8Very high72 Ų7254.7 Ų54.728%0.28228%0.276SS..Hα-helixtrans-69.5-47.9-178.1175.9-102.3000110.7Q32 Y33 D124 L128 I129 Q130Q32-Y126 VanDerWaalsContact OE1-CZ 3.28Å; Q32-Y126 PolarHBondContact OE1-OH 3.43Å; Y33-Y126 AromaticContact CE2-CD2 3.95Å; Y33-Y126 HydrophobicContact CE2-CD2 3.95Å; Y33-Y126 AromaticContact CE2-CE2 3.92Å; Y33-Y126 HydrophobicContact CE2-CE2 3.92Å; D124-Y126 VanDerWaalsContact C-N 3.27Å; D124-Y126 PolarHBondContact O-N 3.15Å; D124-Y126 PolarHBondContact OD1-N 3.39Å; Y126-L128 VanDerWaalsContact C-N 3.32Å; Y126-L128 PolarHBondContact O-N 3.14Å; Y126-I129 PolarHBondContact O-N 2.89Å; Y126-Q130 HydrophobicContact CD1-CG 4.39Å; Y126-Q130 HydrophobicContact CE1-CG 3.95Å; Y126-Q130 HydrophobicContact CE2-CG 4.39Å; Y126-Q130 VanDerWaalsContact CZ-NE2 3.29Å; Y126-Q130 WeakPolarHBondContact O-CG 3.27Å; Y126-Q130 PolarHBondContact O-N 3.08Å; Y126-Q130 PolarHBondContact OH-NE2 3.3Å
127G96.9Very high96.7Very high16 Ų1647.6 Ų47.617%0.16525%0.248CC..Hα-helixtrans-59.6-41.4173.900000111.9D124 I129 Q130 V131D124-G127 PolarHBondContact OD1-N 2.94Å; G127-I129 PolarHBondContact O-N 2.71Å; G127-Q130 PolarHBondContact O-N 2.96Å; G127-V131 WeakPolarHBondContact O-CG2 3.44Å; G127-V131 PolarHBondContact O-N 3.08Å
128L97.8Very high96.6Very high0 Ų048 Ų480%025%0.25CS..Hα-helixtrans-57.3-48.3173174.863.9000112.1L75 P86 L112 Y114 L115 W118 D124 L125 Y126 Q130 V131 M132L75-L128 HydrophobicContact CD2-CD2 4.46Å; P86-L128 HydrophobicContact CG-CD2 3.37Å; L112-L128 HydrophobicContact CD1-CD1 3.95Å; Y114-L128 HydrophobicContact CD1-CB 3.94Å; Y114-L128 HydrophobicContact CD1-CD1 3.94Å; Y114-L128 HydrophobicContact CE1-CB 3.83Å; L115-L128 HydrophobicContact CD1-CD1 4.38Å; L115-L128 HydrophobicContact CD2-CD1 3.69Å; L115-L128 HydrophobicContact CD2-CD2 3.81Å; L115-L128 HydrophobicContact CD2-CG 4.42Å; L115-L128 HydrophobicContact CG-CD1 3.8Å; W118-L128 HydrophobicContact CZ3-CB 4.19Å; W118-L128 HydrophobicContact CZ3-CD2 4.27Å; D124-L128 PolarHBondContact O-N 3.09Å; D124-L128 VanDerWaalsContact O-N 3.07Å; L125-L128 HydrophobicContact CD2-CD2 4.43Å; Y126-L128 VanDerWaalsContact C-N 3.32Å; Y126-L128 PolarHBondContact O-N 3.14Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.24Å; L128-V131 PolarHBondContact O-N 2.99Å; L128-M132 HydrophobicContact CD1-CG 4.39Å; L128-M132 HydrophobicContact CD1-SD 4.48Å; L128-M132 HydrophobicContact CG-SD 4.1Å; L128-M132 VanDerWaalsContact O-CG 3.27Å; L128-M132 WeakPolarHBondContact O-CG 3.29Å; L128-M132 PolarHBondContact O-N 3.45Å
129I97.5Very high96.3Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-64.2-38.2179.6-66.8163.2000111V29 Y33 L36 V60 L75 L125 Y126 G127 V131 M132 I133V29-I129 HydrophobicContact CB-CD1 4.49Å; V29-I129 HydrophobicContact CG1-CD1 3.41Å; V29-I129 VanDerWaalsContact CG1-CD1 3.41Å; V29-I129 HydrophobicContact CG2-CD1 4.26Å; Y33-I129 HydrophobicContact CD1-CG2 4.46Å; Y33-I129 HydrophobicContact CD2-CD1 4.08Å; Y33-I129 HydrophobicContact CD2-CG2 4.17Å; Y33-I129 HydrophobicContact CE1-CG2 3.92Å; Y33-I129 HydrophobicContact CE2-CB 4.12Å; Y33-I129 HydrophobicContact CE2-CD1 4.19Å; Y33-I129 HydrophobicContact CE2-CG2 3.56Å; Y33-I129 VanDerWaalsContact CZ-CG2 3.42Å; L36-I129 HydrophobicContact CD1-CD1 3.72Å; V60-I129 HydrophobicContact CB-CG2 4.5Å; V60-I129 HydrophobicContact CG1-CG2 3.83Å; L75-I129 HydrophobicContact CD1-CD1 4.08Å; L75-I129 HydrophobicContact CD1-CG1 4.05Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 2.93Å; Y126-I129 PolarHBondContact O-N 2.89Å; G127-I129 PolarHBondContact O-N 2.71Å; I129-V131 PolarHBondContact O-N 3.47Å; I129-M132 WeakPolarHBondContact O-CB 3.47Å; I129-M132 PolarHBondContact O-N 3.26Å; I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 HydrophobicContact CG2-CG1 4.39Å; I129-I133 VanDerWaalsContact O-CG1 3.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.34Å; I129-I133 PolarHBondContact O-N 3.23Å
130Q97.4Very high96.2Very high69 Ų6944.1 Ų44.132%0.32224%0.236SC..Hα-helixtrans-60.4-45.2174-69.1-62.7-22.800111.8Y33 Y126 G127 L128 M132 I133 V134Y33-Q130 PolarHBondContact OH-NE2 2.98Å; Y126-Q130 HydrophobicContact CD1-CG 4.39Å; Y126-Q130 HydrophobicContact CE1-CG 3.95Å; Y126-Q130 HydrophobicContact CE2-CG 4.39Å; Y126-Q130 VanDerWaalsContact CZ-NE2 3.29Å; Y126-Q130 WeakPolarHBondContact O-CG 3.27Å; Y126-Q130 PolarHBondContact O-N 3.08Å; Y126-Q130 PolarHBondContact OH-NE2 3.3Å; G127-Q130 PolarHBondContact O-N 2.96Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.24Å; Q130-M132 VanDerWaalsContact C-N 3.33Å; Q130-M132 PolarHBondContact O-N 3.43Å; Q130-I133 PolarHBondContact O-N 2.96Å; Q130-V134 WeakPolarHBondContact O-CG2 3.41Å; Q130-V134 PolarHBondContact O-N 3.41Å; Q130-V134 VanDerWaalsContact O-N 3.12Å
131V97.4Very high96.1Very high45 Ų4542 Ų4227%0.27323%0.226SC..Hα-helixtrans-61.7-42.2174.9174.20000110.9L112 Y114 G127 L128 I129 I133 V134 V135L112-V131 HydrophobicContact CD1-CG1 4.27Å; Y114-V131 HydrophobicContact CD2-CG2 3.89Å; Y114-V131 HydrophobicContact CE2-CG2 4.43Å; Y114-V131 HydrophobicContact CG-CG2 4.2Å; G127-V131 WeakPolarHBondContact O-CG2 3.44Å; G127-V131 PolarHBondContact O-N 3.08Å; L128-V131 PolarHBondContact O-N 2.99Å; I129-V131 PolarHBondContact O-N 3.47Å; V131-I133 VanDerWaalsContact C-N 3.35Å; V131-I133 PolarHBondContact O-N 2.46Å; V131-V134 PolarHBondContact O-N 3.43Å; V131-V135 HydrophobicContact CG1-CG2 4.18Å; V131-V135 WeakPolarHBondContact O-CB 3.23Å; V131-V135 WeakPolarHBondContact O-CG2 3.45Å; V131-V135 PolarHBondContact O-N 2.97Å
132M96.7Very high96Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-59.7-43.5175.5-67.6168.895.300111.9V73 L75 I110 L112 L128 I129 Q130 V134 V135 F136V73-M132 HydrophobicContact CB-CE 4.42Å; V73-M132 HydrophobicContact CG1-CE 4.01Å; L75-M132 HydrophobicContact CD2-CE 3.91Å; L75-M132 HydrophobicContact CD2-SD 4.01Å; I110-M132 HydrophobicContact CD1-CE 3.38Å; L112-M132 HydrophobicContact CD1-CG 3.68Å; L128-M132 HydrophobicContact CD1-CG 4.39Å; L128-M132 HydrophobicContact CD1-SD 4.48Å; L128-M132 HydrophobicContact CG-SD 4.1Å; L128-M132 VanDerWaalsContact O-CG 3.27Å; L128-M132 WeakPolarHBondContact O-CG 3.29Å; L128-M132 PolarHBondContact O-N 3.45Å; I129-M132 WeakPolarHBondContact O-CB 3.47Å; I129-M132 PolarHBondContact O-N 3.26Å; Q130-M132 VanDerWaalsContact C-N 3.33Å; Q130-M132 PolarHBondContact O-N 3.43Å; M132-V134 VanDerWaalsContact C-N 3.34Å; M132-V134 PolarHBondContact O-N 2.64Å; M132-V135 PolarHBondContact O-N 3.21Å; M132-F136 HydrophobicContact CB-CD2 4.21Å; M132-F136 HydrophobicContact CB-CE2 3.98Å; M132-F136 HydrophobicContact CB-CZ 4.42Å; M132-F136 HydrophobicContact CE-CE2 3.95Å; M132-F136 HydrophobicContact CE-CZ 4.1Å; M132-F136 HydrophobicContact CG-CE2 4.43Å; M132-F136 WeakPolarHBondContact O-CB 3.3Å; M132-F136 WeakPolarHBondContact O-CD2 3.32Å; M132-F136 WeakPolarHBondContact O-CG 3.41Å; M132-F136 PolarHBondContact O-N 3.37Å
133I96.6Very high95.8Very high31 Ų3136.4 Ų36.416%0.15919%0.191CC..Hα-helixtrans-61.5-43.1179.4-70.3166.3000111Y33 V62 I129 Q130 V131 G137Y33-I133 HydrophobicContact CE1-CD1 3.84Å; Y33-I133 WeakPolarHBondContact OH-CD1 3.31Å; V62-I133 HydrophobicContact CG2-CG1 4.39Å; I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 HydrophobicContact CG2-CG1 4.39Å; I129-I133 VanDerWaalsContact O-CG1 3.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.34Å; I129-I133 PolarHBondContact O-N 3.23Å; Q130-I133 PolarHBondContact O-N 2.96Å; V131-I133 VanDerWaalsContact C-N 3.35Å; V131-I133 PolarHBondContact O-N 2.46Å; I133-G137 PolarHBondContact O-N 3.28Å
134V96.5Very high95.3Very high90 Ų9040.4 Ų40.455%0.54522%0.22SC..Hα-helixtrans-65.2-52.4177.4175.20000110.6Q130 V131 M132 F136 G137 E138Q130-V134 WeakPolarHBondContact O-CG2 3.41Å; Q130-V134 PolarHBondContact O-N 3.41Å; Q130-V134 VanDerWaalsContact O-N 3.12Å; V131-V134 PolarHBondContact O-N 3.43Å; M132-V134 VanDerWaalsContact C-N 3.34Å; M132-V134 PolarHBondContact O-N 2.64Å; V134-F136 PolarHBondContact O-N 3.09Å; V134-G137 PolarHBondContact O-N 2.95Å; V134-G137 VanDerWaalsContact O-N 3.11Å; V134-E138 PolarHBondContact O-N 2.79Å
135V96.3Very high94.8Very high24 Ų2444.5 Ų44.515%0.14523%0.231CC..Hα-helixtrans-63-41.8-177.1172.90000111.5H103 L112 V131 M132 G137 E138 E139H103-V135 HydrophobicContact CB-CG1 4.36Å; L112-V135 HydrophobicContact CD2-CB 4.24Å; L112-V135 HydrophobicContact CD2-CG1 3.99Å; L112-V135 HydrophobicContact CD2-CG2 4.01Å; V131-V135 HydrophobicContact CG1-CG2 4.18Å; V131-V135 WeakPolarHBondContact O-CB 3.23Å; V131-V135 WeakPolarHBondContact O-CG2 3.45Å; V131-V135 PolarHBondContact O-N 2.97Å; M132-V135 PolarHBondContact O-N 3.21Å; V135-G137 VanDerWaalsContact C-N 3.3Å; V135-G137 PolarHBondContact O-N 3.43Å; V135-E138 PolarHBondContact O-N 3.49Å; V135-E139 PolarHBondContact O-N 3.03Å
136F96.1Very high93.8Very high3 Ų349.3 Ų49.31%0.01326%0.262CS..Hα-helixtrans-73-23.1177.4-63-15.6000113.1V62 I71 V73 V90 I104 I110 M132 V134 E138 E139 P140 P141V62-F136 VanDerWaalsContact CG1-C 3.44Å; V62-F136 HydrophobicContact CG1-CB 3.74Å; V62-F136 HydrophobicContact CG2-CB 4.02Å; V62-F136 HydrophobicContact CG2-CD2 4.37Å; I71-F136 HydrophobicContact CG2-CD2 4.21Å; I71-F136 HydrophobicContact CG2-CE2 4.4Å; V73-F136 HydrophobicContact CG1-CE2 4.29Å; V90-F136 HydrophobicContact CG1-CE2 4.41Å; V90-F136 HydrophobicContact CG1-CZ 4.23Å; I104-F136 HydrophobicContact CD1-CE1 3.86Å; I104-F136 HydrophobicContact CD1-CZ 4.26Å; I110-F136 HydrophobicContact CD1-CE2 4.49Å; I110-F136 HydrophobicContact CD1-CZ 3.87Å; I110-F136 HydrophobicContact CG1-CZ 4.26Å; I110-F136 HydrophobicContact CG2-CZ 4.32Å; M132-F136 HydrophobicContact CB-CD2 4.21Å; M132-F136 HydrophobicContact CB-CE2 3.98Å; M132-F136 HydrophobicContact CB-CZ 4.42Å; M132-F136 HydrophobicContact CE-CE2 3.95Å; M132-F136 HydrophobicContact CE-CZ 4.1Å; M132-F136 HydrophobicContact CG-CE2 4.43Å; M132-F136 WeakPolarHBondContact O-CB 3.3Å; M132-F136 WeakPolarHBondContact O-CD2 3.32Å; M132-F136 WeakPolarHBondContact O-CG 3.41Å; M132-F136 PolarHBondContact O-N 3.37Å; V134-F136 PolarHBondContact O-N 3.09Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E139 WeakPolarHBondContact CA-O 3.49Å; F136-E139 CarbonylContact O-C 3.41Å; F136-P140 WeakPolarHBondContact O-CA 3.19Å; F136-P141 HydrophobicContact CB-CG 4.34Å; F136-P141 HydrophobicContact CD1-CB 4.04Å; F136-P141 HydrophobicContact CD1-CG 3.89Å; F136-P141 HydrophobicContact CD2-CG 3.92Å; F136-P141 HydrophobicContact CE1-CB 4Å; F136-P141 HydrophobicContact CE1-CG 4.14Å; F136-P141 HydrophobicContact CE2-CG 4.13Å; F136-P141 HydrophobicContact CG-CB 4.44Å; F136-P141 HydrophobicContact CG-CG 3.79Å; F136-P141 HydrophobicContact CZ-CB 4.31Å; F136-P141 HydrophobicContact CZ-CG 4.23Å
137G94.8Very high92Very high20 Ų2052.4 Ų52.421%0.20629%0.289CS..Hα-helixtrans-73.5-23.1172.200000113.2V62 S63 Y64 I133 V134 V135V62-G137 VanDerWaalsContact CG1-N 3.35Å; S63-G137 VanDerWaalsContact O-CA 3.22Å; S63-G137 WeakPolarHBondContact O-CA 3.38Å; Y64-G137 VanDerWaalsContact CD2-O 3.28Å; Y64-G137 WeakPolarHBondContact CD2-O 3.18Å; I133-G137 PolarHBondContact O-N 3.28Å; V134-G137 PolarHBondContact O-N 2.95Å; V134-G137 VanDerWaalsContact O-N 3.11Å; V135-G137 VanDerWaalsContact C-N 3.3Å; V135-G137 PolarHBondContact O-N 3.43Å
138E94.2Very high89.8Confident154 Ų15458.1 Ų58.172%0.7232%0.321SS*.Hα-helixtrans-87.1-50170.5-65.7-176.8172.300111V134 V135 F136V134-E138 PolarHBondContact O-N 2.79Å; V135-E138 PolarHBondContact O-N 3.49Å; F136-E138 VanDerWaalsContact C-N 3.32Å
139E93.3Very high87.1Confident66 Ų6666.1 Ų66.131%0.30836%0.358SS..SBendtrans-126.196.4-179.5-177.5164.6-144.100111.4K99 V135 F136K99-E139 HydrophobicContact CD-CG 4.34Å; K99-E139 IonicContact NZ-OE1 2.89Å; K99-E139 PolarHBondContact NZ-OE1 2.89Å; V135-E139 PolarHBondContact O-N 3.03Å; F136-E139 WeakPolarHBondContact CA-O 3.49Å; F136-E139 CarbonylContact O-C 3.41Å
140P93.8Very high84.5Confident10 Ų1069.6 Ų69.67%0.06539%0.387CS..  trans-59.4131.8179.3-29.136000112.3Y64 K99 F136 V142 F143Y64-P140 HydrophobicContact CD1-CG 3.72Å; Y64-P140 HydrophobicContact CD2-CG 3.25Å; Y64-P140 HydrophobicContact CE1-CG 3.76Å; Y64-P140 HydrophobicContact CE2-CG 3.31Å; Y64-P140 HydrophobicContact CG-CG 3.47Å; Y64-P140 VanDerWaalsContact CG-CG 3.47Å; K99-P140 VanDerWaalsContact CD-O 3.3Å; K99-P140 WeakPolarHBondContact CD-O 3.15Å; F136-P140 WeakPolarHBondContact O-CA 3.19Å; P140-V142 VanDerWaalsContact C-N 3.34Å; P140-F143 HydrophobicContact CB-CE1 4.27Å
141P93.4Very high81.9Confident2 Ų272 Ų721%0.01341%0.409CS..SBendtrans-83.4-14.5-17334.9-39.8000113.8I71 V90 K99 I104 F136I71-P141 HydrophobicContact CG2-CG 3.53Å; V90-P141 HydrophobicContact CG1-CB 3.83Å; V90-P141 HydrophobicContact CG1-CG 3.98Å; K99-P141 PolarHBondContact N-O 3.12Å; I104-P141 HydrophobicContact CD1-CB 2.98Å; I104-P141 HydrophobicContact CD1-CG 4.3Å; I104-P141 HydrophobicContact CG1-CB 4.44Å; F136-P141 HydrophobicContact CB-CG 4.34Å; F136-P141 HydrophobicContact CD1-CB 4.04Å; F136-P141 HydrophobicContact CD1-CG 3.89Å; F136-P141 HydrophobicContact CD2-CG 3.92Å; F136-P141 HydrophobicContact CE1-CB 4Å; F136-P141 HydrophobicContact CE1-CG 4.14Å; F136-P141 HydrophobicContact CE2-CG 4.13Å; F136-P141 HydrophobicContact CG-CB 4.44Å; F136-P141 HydrophobicContact CG-CG 3.79Å; F136-P141 HydrophobicContact CZ-CB 4.31Å; F136-P141 HydrophobicContact CZ-CG 4.23Å
142V93.6Very high79.3Confident11 Ų1180.2 Ų80.27%0.06744%0.436CS..EExtended strand (participates in β ladder)trans-138.2149.5179.3-64.90000109.9I71 V90 P92 M96 M97 P140I71-V142 HydrophobicContact CD1-CG2 3.92Å; I71-V142 HydrophobicContact CG2-CG2 4.45Å; V90-V142 HydrophobicContact CB-CG1 4.32Å; V90-V142 HydrophobicContact CG2-CG1 4.25Å; P92-V142 HydrophobicContact CB-CG1 4.34Å; M96-V142 HydrophobicContact SD-CG2 4.14Å; M97-V142 CarbonylContact O-C 3.59Å; M97-V142 WeakPolarHBondContact O-CA 3.34Å; P140-V142 VanDerWaalsContact C-N 3.34Å
143F91.1Very high76.7Confident90 Ų9088.9 Ų88.940%0.39548%0.477SS..EExtended strand (participates in β ladder)trans-123.5152.3169.8-65.6-67000110.7M96 M97 K99 P140M96-F143 CarbonylContact C-O 3.47Å; M96-F143 WeakPolarHBondContact CA-O 3.45Å; M97-F143 PolarHBondContact N-O 2.94Å; M97-F143 PolarHBondContact O-N 3.02Å; K99-F143 HydrophobicContact CB-CD2 3.83Å; K99-F143 HydrophobicContact CB-CE2 3.65Å; K99-F143 HydrophobicContact CD-CD2 4.27Å; K99-F143 HydrophobicContact CD-CE2 3.26Å; K99-F143 HydrophobicContact CD-CZ 3.65Å; K99-F143 HydrophobicContact CG-CD2 4.07Å; K99-F143 HydrophobicContact CG-CE2 3.44Å; K99-F143 VanDerWaalsContact CG-CE2 3.44Å; K99-F143 HydrophobicContact CG-CZ 4.33Å; P140-F143 HydrophobicContact CB-CE1 4.27Å
144S87.9Confident74Confident93 Ų9391.8 Ų91.865%0.6551%0.505SS*.EExtended strand (participates in β ladder)trans-65.4136.7167.652.90000110.1A95A95-S144 CarbonylContact O-C 3.55Å; A95-S144 WeakPolarHBondContact O-CA 3.35Å
145R86.7Confident71.6Confident138 Ų13897.5 Ų97.552%0.52152%0.523SS..PPolyproline II helixtrans-60.6133.2167.4-72.6-178.9-177.9-129.90.3108.8S94 A95 M96 M97 T147S94-R145 WeakPolarHBondContact O-CD 3.48Å; S94-R145 PolarHBondContact O-NE 3.46Å; A95-R145 PolarHBondContact O-N 3.42Å; M96-R145 PolarHBondContact O-NE 3.2Å; M96-R145 VanDerWaalsContact O-NE 3.13Å; M97-R145 HydrophobicContact CE-CG 4.25Å; M97-R145 HydrophobicContact CG-CG 3.51Å; M97-R145 HydrophobicContact SD-CG 3.94Å; R145-T147 PolarHBondContact O-N 3.17Å; R145-T147 VanDerWaalsContact O-N 3.15Å
146P75.3Confident69.1Low101 Ų101105.1 Ų105.166%0.65656%0.557SS**PPolyproline II helixtrans-59.4120.2170.2-15.226.9000108.5T148P146-T148 VanDerWaalsContact C-N 3.3Å; P146-T148 PolarHBondContact O-N 2.89Å
147T59.5Low66.4Low137 Ų137109.7 Ų109.784%0.8460%0.595SS**  trans-70.691.3165.430.20000108.1R145 Q149R145-T147 PolarHBondContact O-N 3.17Å; R145-T147 VanDerWaalsContact O-N 3.15Å; T147-Q149 PolarHBondContact O-N 3Å
148T50Low64.1Low137 Ų137113.7 Ų113.784%0.8463%0.627SS**  trans-73.469.7163.742.20000109.3P146P146-T148 VanDerWaalsContact C-N 3.3Å; P146-T148 PolarHBondContact O-N 2.89Å
149Q41.9Very low61.7Low167 Ų167109.1 Ų109.178%0.7862%0.621SS**  trans-121.3101.5155.1-78.3-173.93.700106.7T147T147-Q149 PolarHBondContact O-N 3Å
150A42.2Very low59.4Low73 Ų73112 Ų11260%0.60365%0.645SS**  trans-57.6133.1155.300000106.8Y152A150-Y152 PolarHBondContact O-N 2.9Å
151P43.5Very low57Low120 Ų120117.6 Ų117.678%0.77968%0.682SS**  trans-64.1104.3172.125.2-29.2000107Q153P151-Q153 PolarHBondContact O-N 3.44Å
152Y40.8Very low54.4Low218 Ų218125.2 Ų125.286%0.85572%0.722SS**  trans-59.1108.4162.7-69.6-85.1000106A150 A154A150-Y152 PolarHBondContact O-N 2.9Å; Y152-A154 PolarHBondContact O-N 2.8Å; Y152-A154 VanDerWaalsContact O-N 3.1Å
153Q43.4Very low52.1Low181 Ų181129.5 Ų129.585%0.84675%0.75SS**  trans-59.6117.7166.7-68.6-153.7-19.100106.9P151 F155P151-Q153 PolarHBondContact O-N 3.44Å; Q153-F155 PolarHBondContact O-N 3.38Å
154A40.1Very low49.4Very low92 Ų92130.6 Ų130.676%0.7677%0.77SS**  trans-58.2113.3171.500000107.8Y152 Q156Y152-A154 PolarHBondContact O-N 2.8Å; Y152-A154 VanDerWaalsContact O-N 3.1Å; A154-Q156 PolarHBondContact O-N 2.93Å
155F46Very low47Very low211 Ų211135.5 Ų135.593%0.92578%0.775SS**  trans-57.4113.5164-100.3-96.6000107.3Q153 A157Q153-F155 PolarHBondContact O-N 3.38Å; F155-A157 PolarHBondContact O-N 3.01Å
156Q43.3Very low44.5Very low183 Ų183136.6 Ų136.686%0.85579%0.788SS**  trans-64.4119168.5-74.3-176.6-16.200107.8A154 A158A154-Q156 PolarHBondContact O-N 2.93Å; Q156-A158 PolarHBondContact O-N 2.89Å
157A39.9Very low43Very low99 Ų99136.5 Ų136.582%0.81879%0.787SS**  trans-62.6117.2170.200000108.6F155 G159F155-A157 PolarHBondContact O-N 3.01Å; A157-G159 PolarHBondContact O-N 2.95Å; A157-G159 VanDerWaalsContact O-N 3.11Å
158A45.3Very low41.7Very low104 Ų104133.5 Ų133.586%0.8678%0.784SS**  trans-62110.9172.200000109.2Q156Q156-A158 PolarHBondContact O-N 2.89Å
159G45.1Very low41.1Very low59 Ų59136.2 Ų136.261%0.60879%0.789SS**PPolyproline II helixtrans-70.7158.3168.500000111.7A157A157-G159 PolarHBondContact O-N 2.95Å; A157-G159 VanDerWaalsContact O-N 3.11Å
160P45Very low41.7Very low125 Ų125133.3 Ų133.381%0.81279%0.785SS**PPolyproline II helixtrans-68.6154.3-174.627.7-32.7000112.5
161P43.5Very low41.2Very low128 Ų128134 Ų13483%0.83179%0.791SS**PPolyproline II helixtrans-78.9137.3-174.132.8-31.3000109.8
162N37.8Very low40.7Very low162 Ų162136.4 Ų136.487%0.86680%0.796SS**  trans-127.4141.5165.4-133.814.9000110.7
163P45.9Very low40.6Very low101 Ų101131.4 Ų131.466%0.65679%0.793SS**  trans-99174.2-165.638.9-33.5000113.9
164S34.9Very low40.8Very low114 Ų114128.5 Ų128.580%0.79779%0.79SS**  trans76.8112.316259.40000117.6
165Y35.8Very low40.5Very low195 Ų195135.6 Ų135.677%0.76580%0.799SS**  85102.872.8-168.9-92.3000113.9
166M34.7Very low39.8Very low161 Ų161128.8 Ų128.879%0.79379%0.789SS**  -175.6153.8121.5-112.7-115164.200113.1
167P44.6Very low40.1Very low99 Ų99126.6 Ų126.664%0.64379%0.79SS**  trans-114.6155.9-172.435.9-20.4000114.8
168G33Very low40.1Very low75 Ų75127.9 Ų127.977%0.77378%0.783SS**  trans134.6123.1144.900000119.7
169M36.3Very low40.3Very low193 Ų193128.8 Ų128.895%0.95178%0.781SS**  trans92.6150.8141.2-76.8-100.2165.500121.6
170P53.8Low39.9Very low107 Ų107131.3 Ų131.370%0.69578%0.784SS**  trans-125.8168.3-135.543.3-29.6000114.8
171A33Very low39.9Very low88 Ų88131.7 Ų131.773%0.72779%0.787SS**  trans-163.1112.8158.400000109.4
172L32Very low39.3Very low169 Ų169129.6 Ų129.689%0.88579%0.789SS**  67.3107.892.6-90.6113.5000115.5
173S38.9Very low39Very low113 Ų113125.1 Ų125.179%0.7978%0.78SS**  trans-78.4163.9160.3-47.40000111.6
174P48Very low38.3Very low121 Ų121131 Ų13179%0.78679%0.791SS**  -140.8149.5124.724.6-4000116.5
175Y33.6Very low38.9Very low240 Ų240130.7 Ų130.794%0.94179%0.786SS**  trans-15.3153.5159-72.3-89000119.7
176G32.3Very low38.7Very low69 Ų69125.1 Ų125.171%0.71179%0.789SS**  cis173.1-158.91300000107.5
177P49.3Very low38.7Very low136 Ų136128.4 Ų128.488%0.88379%0.794SS**  cis-127.5176.8-22.139.3-20.2000115.2
178N39.6Very low37.9Very low126 Ų126132.3 Ų132.367%0.67480%0.803SS**  trans-75.2163.8-178.5-16022.2000113.8T180N178-T180 PolarHBondContact OD1-N 3.45Å
179P48.4Very low37.9Very low124 Ų124139 Ų13981%0.80581%0.807SS**  -148.8150.28034.8-13.2000117.5
180T38.4Very low38.4Very low111 Ų111135.1 Ų135.168%0.68180%0.796SS**  trans-81162.5165.449.20000112.1N178N178-T180 PolarHBondContact OD1-N 3.45Å
181P43.2Very low37.4Very low134 Ų134135.7 Ų135.787%0.8780%0.803SS**  -154.4150.583.133.9-11.8000118
182G32.5Very low37.3Very low84 Ų84135.9 Ų135.987%0.86680%0.804SS**  trans163.786159.800000116.6
183G30.8Very low37.3Very low67 Ų67134.9 Ų134.969%0.69180%0.799SS**  trans-101.4171.3158.400000109.5
184Y32.3Very low37.1Very low224 Ų224134.3 Ų134.388%0.87880%0.796SS**  cis-170.3-164.322.9-102.2-82.4000105.2
185P46.3Very low36.4Very low108 Ų108139.2 Ų139.270%0.70180%0.8SS**  cis-130.5167-2523.4-0.6000113.8
186G32.8Very low36.8Very low79 Ų79134 Ų13481%0.81480%0.796SS**  trans-91.4144.516500000112.4
187Y33.1Very low36.9Very low230 Ų230135.2 Ų135.290%0.90280%0.799SS**  trans-79.8153.4-177.7-86.2-91.6000114
188Q28.5Very low36Very low181 Ų181135.9 Ų135.985%0.84680%0.801SS**  trans-130140.4-180-160.9-179.222.800107.6
189Y32.6Very low35.6Very low215 Ų215134.7 Ų134.784%0.84381%0.809SS**  trans-173.1159.7166.2-107-69000110.6
190P46.2Very low34.7Very low111 Ų111132.3 Ų132.372%0.72181%0.806SS**  -128.1173.4-7542.8-29.8000114.5
191S34Very low34.3Very low120 Ų120133.3 Ų133.384%0.83981%0.812SS**  trans-85.6151.7164.244.10000113.3
192A31.5Very low33.6Very low91 Ų91131.6 Ų131.675%0.75280%0.799SS**  trans-143.712816500000113.8
193N31.9Very low33.6Very low148 Ų148135.6 Ų135.679%0.79180%0.796SS**  trans84.2100.2137.8-69.229.5000124.3
194S33.6Very low33.6Very low102 Ų102143.1 Ų143.171%0.71381%0.805SS**  19.8138.5119.959.60000124.5
195Y33.1Very low33.4Very low223 Ų223139.1 Ų139.188%0.87580%0.804SS**  trans-53174.2173.5-54.8-91.1000118.7
196P42.6Very low32.7Very low131 Ų131138.3 Ų138.385%0.85180%0.801SS**  -142.4168.488.233.5-14.1000116.2
197A35.3Very low32.6Very low95 Ų95144.1 Ų144.179%0.78581%0.807SS**  trans-92.7155.4-176.700000113.9
198T29.1Very low32.6Very low149 Ų149140.5 Ų140.591%0.91480%0.801SS**  trans-150.4140.4152.4-39.40000111.7
199A31.7Very low33.7Very low102 Ų102137.1 Ų137.184%0.84380%0.795SS**  trans-75161-176.800000115.1
200G30.1Very low33.6Very low73 Ų73132 Ų13275%0.75380%0.797SS**  trans-177.898.5166.300000113.5
201T28.3Very low33.1Very low132 Ų132131.7 Ų131.781%0.8180%0.797SS**  trans-36.6154.6150.217.90000113
202T28.5Very low33Very low98 Ų98132.9 Ų132.960%0.60180%0.8SS**  cis-178173.335.210.20000108.9
203H34Very low33.3Very low169 Ų169135.5 Ų135.578%0.78281%0.806SS**  trans10789.8148.4-55.2-57.6000119.2
204Y29.4Very low33.3Very low225 Ų225131.8 Ų131.888%0.88280%0.803SS**  trans-50.5140.9137.9-89.4-101.7000111.3
205T28.3Very low33.9Very low140 Ų140133 Ų13386%0.85981%0.809SS**  trans-131.1140.7147.7-150.90000110.3
206S31.7Very low34.2Very low91 Ų91127.4 Ų127.464%0.63680%0.802SS**  trans-103.2140.6-171.5-400000109
207Q32.5Very low34.1Very low201 Ų201132.5 Ų132.594%0.93980%0.804SS**  trans-137.6132150.9-76.9-171.1-17.700109.9
208I31.6Very low34.3Very low154 Ų154135 Ų13579%0.7980%0.804SS**  trans-125.8177.6176.8-20.9173.2000105.7
209P51.9Low35.3Very low110 Ų110131.3 Ų131.371%0.71480%0.796SS**  -118.7169.1-52.419.11.4000110.9
210A29.9Very low36.2Very low107 Ų107132 Ų13288%0.88479%0.79SS**  trans-137.1106.5148.500000109.5
211S35.8Very low37.4Very low104 Ų104134.4 Ų134.473%0.72778%0.784SS**  trans-84127.917126.90000109.7
212T33.5Very low39Very low146 Ų146129.9 Ų129.990%0.89676%0.764SS**  trans-137.4146.8152.550.80000109.3
213V35.9Very low40.9Very low145 Ų145133.1 Ų133.188%0.87977%0.772SS**  trans-107.7122.4-151.2-168.60000110.2
214G32.3Very low42.7Very low70 Ų70131.1 Ų131.172%0.72277%0.767SS**  trans76.6165.4148.900000119.6
215P45.7Very low44.9Very low129 Ų129124.8 Ų124.884%0.83875%0.752SS**  cis-122.6167.62.535.4-17.7000115.4
216S40Very low47.2Very low105 Ų105121.9 Ų121.973%0.73473%0.731SS**  trans-32.8154.3171.5-46.50000119
217R40.8Very low49.5Very low237 Ų237125.4 Ų125.489%0.89473%0.73SS**  trans81.5105.3157.5-53.4167.978173.84.9114.6
218D38.6Very low51.8Low147 Ų147118.7 Ų118.779%0.78671%0.709SS**  -173.4139.682.8-144.5-6.5000110T220D218-T220 PolarHBondContact O-N 3.25Å; D218-T220 VanDerWaalsContact O-N 3.16Å
219G50.4Low54.2Low73 Ų73115.1 Ų115.175%0.75370%0.698SS**  trans-84.880.4178.200000110.3
220T50.5Low55.9Low115 Ų115115 Ų11571%0.70669%0.69SS**SBendtrans-161.5120.1159.16.50000108.3D218 G222D218-T220 PolarHBondContact O-N 3.25Å; D218-T220 VanDerWaalsContact O-N 3.16Å; T220-G222 PolarHBondContact O-N 2.81Å
221I56.6Low58.7Low124 Ų124114.5 Ų114.564%0.63667%0.672SS**  trans-55.1111.6166.3-57.1171.2000105.7E223 T225 I226I221-E223 PolarHBondContact O-N 2.91Å; I221-T225 HydrophobicContact CG2-CG2 4.31Å; I221-I226 HydrophobicContact CB-CD1 4.15Å; I221-I226 HydrophobicContact CB-CG1 4.12Å; I221-I226 HydrophobicContact CG2-CD1 4.05Å; I221-I226 HydrophobicContact CG2-CG1 3.45Å; I221-I226 VanDerWaalsContact CG2-CG1 3.45Å
222G61.6Low61.2Low37 Ų37112.4 Ų112.438%0.38166%0.657SS.*  trans-54.6139.2-178.800000110.4T220 D224 T225 I226T220-G222 PolarHBondContact O-N 2.81Å; G222-D224 PolarHBondContact O-N 3.01Å; G222-T225 WeakPolarHBondContact O-CB 3.47Å; G222-T225 PolarHBondContact O-N 2.92Å; G222-I226 PolarHBondContact O-N 3.3Å
223E68.7Low63.8Low167 Ų167108.1 Ų108.178%0.7864%0.636SS**Hα-helixtrans-51.3-32.9-178.3-168174.2173.500112.1I221 I226 R227I221-E223 PolarHBondContact O-N 2.91Å; E223-I226 PolarHBondContact O-N 3.5Å; E223-R227 VanDerWaalsContact O-CB 3.24Å; E223-R227 WeakPolarHBondContact O-CB 3.48Å; E223-R227 PolarHBondContact O-N 3.41Å
224D72Confident66.4Low126 Ų126105.8 Ų105.867%0.67462%0.622SS**Hα-helixtrans-65.5-36.2175.4-67.7-35000113.9G222 A228G222-D224 PolarHBondContact O-N 3.01Å; D224-A228 VanDerWaalsContact O-CB 3.29Å; D224-A228 WeakPolarHBondContact O-CB 3.5Å; D224-A228 PolarHBondContact O-N 2.85Å
225T75.1Confident69.1Low93 Ų93105.1 Ų105.157%0.57161%0.606SS**Hα-helixtrans-72.6-37.6177-470000110.9I221 G222 S229I221-T225 HydrophobicContact CG2-CG2 4.31Å; G222-T225 WeakPolarHBondContact O-CB 3.47Å; G222-T225 PolarHBondContact O-N 2.92Å; T225-S229 WeakPolarHBondContact O-CB 3.38Å; T225-S229 PolarHBondContact O-N 3.45Å
226I75.8Confident71.3Confident79 Ų79102.2 Ų102.241%0.40558%0.584SS.*Hα-helixtrans-67.3-43.6174.3-56.1178.7000109.8I221 G222 E223 S229 L230I221-I226 HydrophobicContact CB-CD1 4.15Å; I221-I226 HydrophobicContact CB-CG1 4.12Å; I221-I226 HydrophobicContact CG2-CD1 4.05Å; I221-I226 HydrophobicContact CG2-CG1 3.45Å; I221-I226 VanDerWaalsContact CG2-CG1 3.45Å; G222-I226 PolarHBondContact O-N 3.3Å; E223-I226 PolarHBondContact O-N 3.5Å; I226-S229 PolarHBondContact O-N 2.95Å; I226-L230 HydrophobicContact CG2-CD1 4.01Å; I226-L230 HydrophobicContact CG2-CG 4.45Å; I226-L230 WeakPolarHBondContact O-CB 3.43Å; I226-L230 WeakPolarHBondContact O-CG 3.29Å; I226-L230 PolarHBondContact O-N 3.46Å
227R79.5Confident73.8Confident165 Ų165104 Ų10462%0.62358%0.579SS**Hα-helixtrans-62.8-44.3177.1-173.1176.9-178.1171.91.6111.9E223 S229 L230 I231E223-R227 VanDerWaalsContact O-CB 3.24Å; E223-R227 WeakPolarHBondContact O-CB 3.48Å; E223-R227 PolarHBondContact O-N 3.41Å; R227-S229 VanDerWaalsContact C-N 3.35Å; R227-L230 PolarHBondContact O-N 3.25Å; R227-I231 HydrophobicContact CG-CD1 3.92Å; R227-I231 WeakPolarHBondContact O-CB 3.31Å; R227-I231 VanDerWaalsContact O-CG1 3.23Å; R227-I231 WeakPolarHBondContact O-CG1 3.35Å; R227-I231 PolarHBondContact O-N 3.34Å
228A82.1Confident76.3Confident60 Ų6098.7 Ų98.750%0.49657%0.567SS.*Hα-helixtrans-62.3-41.3174.900000112.1D224 I231 S232D224-A228 VanDerWaalsContact O-CB 3.29Å; D224-A228 WeakPolarHBondContact O-CB 3.5Å; D224-A228 PolarHBondContact O-N 2.85Å; A228-I231 PolarHBondContact O-N 2.81Å; A228-S232 WeakPolarHBondContact O-CB 3.38Å; A228-S232 PolarHBondContact O-N 3.48Å
229S81.8Confident78.9Confident79 Ų7999.9 Ų99.955%0.55256%0.56SS**Hα-helixtrans-64.2-44.2176.1-175.90000112.3T225 I226 R227 S232 A233T225-S229 WeakPolarHBondContact O-CB 3.38Å; T225-S229 PolarHBondContact O-N 3.45Å; I226-S229 PolarHBondContact O-N 2.95Å; R227-S229 VanDerWaalsContact C-N 3.35Å; S229-S232 PolarHBondContact O-N 2.84Å; S229-A233 VanDerWaalsContact O-CB 3.31Å; S229-A233 WeakPolarHBondContact O-CB 3.45Å; S229-A233 PolarHBondContact O-N 3.31Å
230L86.7Confident80.8Confident107 Ų107105 Ų10556%0.5656%0.557SS**Hα-helixtrans-65.6-41.7176.5-74169.8000112.2I226 R227 A233 V234I226-L230 HydrophobicContact CG2-CD1 4.01Å; I226-L230 HydrophobicContact CG2-CG 4.45Å; I226-L230 WeakPolarHBondContact O-CB 3.43Å; I226-L230 WeakPolarHBondContact O-CG 3.29Å; I226-L230 PolarHBondContact O-N 3.46Å; R227-L230 PolarHBondContact O-N 3.25Å; L230-A233 PolarHBondContact O-N 3.49Å; L230-V234 WeakPolarHBondContact O-CB 3.44Å; L230-V234 VanDerWaalsContact O-CG2 3.27Å; L230-V234 WeakPolarHBondContact O-CG2 3.3Å; L230-V234 PolarHBondContact O-N 2.98Å
231I88.3Confident82.9Confident97 Ų97106.7 Ų106.750%0.49755%0.551SS.*Hα-helixtrans-63.1-43175.7-69.9168.5000110.4R227 A228 S235R227-I231 HydrophobicContact CG-CD1 3.92Å; R227-I231 WeakPolarHBondContact O-CB 3.31Å; R227-I231 VanDerWaalsContact O-CG1 3.23Å; R227-I231 WeakPolarHBondContact O-CG1 3.35Å; R227-I231 PolarHBondContact O-N 3.34Å; A228-I231 PolarHBondContact O-N 2.81Å; I231-S235 WeakPolarHBondContact O-CB 3.12Å; I231-S235 PolarHBondContact O-N 2.96Å; I231-S235 PolarHBondContact O-OG 3.49Å
232S88.6Confident84.7Confident60 Ų60107.5 Ų107.542%0.4255%0.554SS.*Hα-helixtrans-62.6-47.8175-164.20000111.1A228 S229 V234 S235 D236A228-S232 WeakPolarHBondContact O-CB 3.38Å; A228-S232 PolarHBondContact O-N 3.48Å; S229-S232 PolarHBondContact O-N 2.84Å; S232-V234 PolarHBondContact O-N 3.29Å; S232-S235 PolarHBondContact O-N 3.05Å; S232-D236 WeakPolarHBondContact O-CB 3.3Å; S232-D236 PolarHBondContact O-N 2.79Å; S232-D236 PolarHBondContact OG-OD2 3.45Å
233A88.6Confident86.2Confident55 Ų55110.9 Ų110.946%0.45556%0.558SS.*Hα-helixtrans-62.4-40.2-179.100000112.7S229 L230 K237S229-A233 VanDerWaalsContact O-CB 3.31Å; S229-A233 WeakPolarHBondContact O-CB 3.45Å; S229-A233 PolarHBondContact O-N 3.31Å; L230-A233 PolarHBondContact O-N 3.49Å; A233-K237 VanDerWaalsContact O-CB 3.23Å; A233-K237 WeakPolarHBondContact O-CB 3.43Å; A233-K237 PolarHBondContact O-N 3.49Å
234V90.1Very high87.4Confident97 Ų97108.6 Ų108.659%0.58855%0.547SS*.Hα-helixtrans-69.2-42.6174.8172.70000110.9L230 S232 D236 K237 L238L230-V234 WeakPolarHBondContact O-CB 3.44Å; L230-V234 VanDerWaalsContact O-CG2 3.27Å; L230-V234 WeakPolarHBondContact O-CG2 3.3Å; L230-V234 PolarHBondContact O-N 2.98Å; S232-V234 PolarHBondContact O-N 3.29Å; V234-D236 VanDerWaalsContact C-N 3.34Å; V234-D236 PolarHBondContact O-N 2.82Å; V234-K237 PolarHBondContact O-N 2.94Å; V234-L238 WeakPolarHBondContact O-CB 3.3Å; V234-L238 PolarHBondContact O-N 3.07Å
235S88.8Confident88.5Confident55 Ų55108 Ų10839%0.38554%0.54SS..Hα-helixtrans-63-41.5177.5-60.10000111.8I231 S232 L238 R239I231-S235 WeakPolarHBondContact O-CB 3.12Å; I231-S235 PolarHBondContact O-N 2.96Å; I231-S235 PolarHBondContact O-OG 3.49Å; S232-S235 PolarHBondContact O-N 3.05Å; S235-L238 PolarHBondContact O-N 2.72Å; S235-R239 WeakPolarHBondContact O-CB 3.38Å; S235-R239 PolarHBondContact O-N 2.81Å
236D91.9Very high89.4Confident69 Ų69109.2 Ų109.237%0.36954%0.541SS..Hα-helixtrans-68.3-42.6176.5-70.2-31.5000110.9S232 V234 L238 R239 W240S232-D236 WeakPolarHBondContact O-CB 3.3Å; S232-D236 PolarHBondContact O-N 2.79Å; S232-D236 PolarHBondContact OG-OD2 3.45Å; V234-D236 VanDerWaalsContact C-N 3.34Å; V234-D236 PolarHBondContact O-N 2.82Å; D236-L238 VanDerWaalsContact C-N 3.33Å; D236-L238 PolarHBondContact O-N 3.04Å; D236-R239 WeakPolarHBondContact O-CB 3.33Å; D236-R239 PolarHBondContact O-N 3.49Å; D236-W240 WeakPolarHBondContact O-CB 3.45Å; D236-W240 PolarHBondContact O-N 3.1Å
237K93Very high90.3Very high143 Ų143109.3 Ų109.362%0.62254%0.542SS*.Hα-helixtrans-63.1-39.4176-170.5168.3-173.4176.60112.1A233 V234 W240 R241A233-K237 VanDerWaalsContact O-CB 3.23Å; A233-K237 WeakPolarHBondContact O-CB 3.43Å; A233-K237 PolarHBondContact O-N 3.49Å; V234-K237 PolarHBondContact O-N 2.94Å; K237-W240 PolarHBondContact O-N 3.37Å; K237-R241 WeakPolarHBondContact O-CG 3.38Å; K237-R241 PolarHBondContact O-N 2.97Å
238L93.1Very high91Very high124 Ų124108.6 Ų108.665%0.64954%0.539SS*.Hα-helixtrans-66-42.8174.3-175.263.7000111V234 S235 D236 W240 R241 M242V234-L238 WeakPolarHBondContact O-CB 3.3Å; V234-L238 PolarHBondContact O-N 3.07Å; S235-L238 PolarHBondContact O-N 2.72Å; D236-L238 VanDerWaalsContact C-N 3.33Å; D236-L238 PolarHBondContact O-N 3.04Å; L238-W240 PolarHBondContact O-N 3.37Å; L238-R241 PolarHBondContact O-N 3.07Å; L238-M242 WeakPolarHBondContact O-CB 3.48Å; L238-M242 PolarHBondContact O-N 3.15Å
239R93Very high91.6Very high172 Ų172108.4 Ų108.465%0.64954%0.538SS*.Hα-helixtrans-61.4-42.6175.8-170.6-173.2-59-81.60.1111.8S235 D236 M242 K243S235-R239 WeakPolarHBondContact O-CB 3.38Å; S235-R239 PolarHBondContact O-N 2.81Å; D236-R239 WeakPolarHBondContact O-CB 3.33Å; D236-R239 PolarHBondContact O-N 3.49Å; R239-M242 PolarHBondContact O-N 2.91Å; R239-K243 VanDerWaalsContact O-CB 3.29Å; R239-K243 WeakPolarHBondContact O-CB 3.31Å; R239-K243 PolarHBondContact O-N 3.31Å
240W92Very high92.3Very high180 Ų180109.1 Ų109.168%0.68253%0.533SS*.Hα-helixtrans-62.9-46.4175.8-82.9113.1000111.9D236 K237 L238 K243 E244D236-W240 WeakPolarHBondContact O-CB 3.45Å; D236-W240 PolarHBondContact O-N 3.1Å; K237-W240 PolarHBondContact O-N 3.37Å; L238-W240 PolarHBondContact O-N 3.37Å; W240-K243 PolarHBondContact O-N 2.88Å; W240-E244 WeakPolarHBondContact O-CB 3.42Å; W240-E244 PolarHBondContact O-N 3.28Å
241R93.7Very high92.7Very high152 Ų152107 Ų10757%0.57453%0.53SS*.Hα-helixtrans-64.4-41.1176.7-74.4-63.6-172.183.8-3.6112.8K237 L238 K243 E244 E245K237-R241 WeakPolarHBondContact O-CG 3.38Å; K237-R241 PolarHBondContact O-N 2.97Å; L238-R241 PolarHBondContact O-N 3.07Å; R241-K243 VanDerWaalsContact C-N 3.33Å; R241-E244 PolarHBondContact O-N 2.74Å; R241-E245 WeakPolarHBondContact O-CG 3.45Å; R241-E245 PolarHBondContact O-N 3.2Å
242M93.3Very high93Very high141 Ų141107.2 Ų107.270%0.69553%0.529SS*.Hα-helixtrans-64.6-39.9176-173.4177.4-178.700111.3L238 R239 M246L238-M242 WeakPolarHBondContact O-CB 3.48Å; L238-M242 PolarHBondContact O-N 3.15Å; R239-M242 PolarHBondContact O-N 2.91Å; M242-M246 VanDerWaalsContact O-CB 3.27Å; M242-M246 WeakPolarHBondContact O-CB 3.27Å; M242-M246 PolarHBondContact O-N 3.48Å
243K94.4Very high93.4Very high108 Ų108108 Ų10847%0.4753%0.528SS..Hα-helixtrans-65.8-43.6176.3-175.4173.2-179.7-179.50111.9R239 W240 R241 M246 D247R239-K243 VanDerWaalsContact O-CB 3.29Å; R239-K243 WeakPolarHBondContact O-CB 3.31Å; R239-K243 PolarHBondContact O-N 3.31Å; W240-K243 PolarHBondContact O-N 2.88Å; R241-K243 VanDerWaalsContact C-N 3.33Å; K243-M246 PolarHBondContact O-N 3.08Å; K243-D247 WeakPolarHBondContact O-CB 3.5Å; K243-D247 PolarHBondContact O-N 3.45Å
244E94.1Very high93.8Very high119 Ų119108.5 Ų108.556%0.55652%0.523SS*.Hα-helixtrans-60.1-46.5177.1-176.1177.8-166.800112W240 R241 D247 R248W240-E244 WeakPolarHBondContact O-CB 3.42Å; W240-E244 PolarHBondContact O-N 3.28Å; R241-E244 PolarHBondContact O-N 2.74Å; E244-D247 PolarHBondContact O-N 2.86Å; E244-R248 WeakPolarHBondContact O-CB 3.14Å; E244-R248 PolarHBondContact O-N 2.85Å
245E93.8Very high94.1Very high112 Ų112106.3 Ų106.352%0.52352%0.516SS..Hα-helixtrans-65.7-38.5176-72.6-63.3138.800112.2R241 R248 A249R241-E245 WeakPolarHBondContact O-CG 3.45Å; R241-E245 PolarHBondContact O-N 3.2Å; E245-R248 PolarHBondContact O-N 3.38Å; E245-A249 WeakPolarHBondContact O-CB 3.41Å; E245-A249 PolarHBondContact O-N 2.94Å
246M94.3Very high94.4Very high119 Ų119109.3 Ų109.359%0.58653%0.526SS*.Hα-helixtrans-66.2-44.1176.1-169.1-176.278.800111.6M242 K243 R248 A249 Q250M242-M246 VanDerWaalsContact O-CB 3.27Å; M242-M246 WeakPolarHBondContact O-CB 3.27Å; M242-M246 PolarHBondContact O-N 3.48Å; K243-M246 PolarHBondContact O-N 3.08Å; M246-R248 VanDerWaalsContact C-N 3.31Å; M246-R248 PolarHBondContact O-N 2.81Å; M246-A249 PolarHBondContact O-N 3.33Å; M246-Q250 VanDerWaalsContact O-CB 3.27Å; M246-Q250 WeakPolarHBondContact O-CB 3.42Å; M246-Q250 PolarHBondContact O-N 2.97Å
247D94.6Very high94.6Very high82 Ų82111.5 Ų111.544%0.43953%0.533SS..Hα-helixtrans-63.9-38.6177.6-70.8-16.8000110.5K243 E244 A251K243-D247 WeakPolarHBondContact O-CB 3.5Å; K243-D247 PolarHBondContact O-N 3.45Å; E244-D247 PolarHBondContact O-N 2.86Å; D247-A251 WeakPolarHBondContact O-CB 3.36Å; D247-A251 PolarHBondContact O-N 2.64Å
248R95.2Very high94.8Very high149 Ų149113.2 Ų113.256%0.56254%0.535SS*.Hα-helixtrans-64.3-50.6173.6-178-177.7176.1173.23.8112.2E244 E245 M246 Q250 A251 E252E244-R248 WeakPolarHBondContact O-CB 3.14Å; E244-R248 PolarHBondContact O-N 2.85Å; E245-R248 PolarHBondContact O-N 3.38Å; M246-R248 VanDerWaalsContact C-N 3.31Å; M246-R248 PolarHBondContact O-N 2.81Å; R248-Q250 VanDerWaalsContact C-N 3.26Å; R248-Q250 PolarHBondContact O-N 2.98Å; R248-A251 PolarHBondContact O-N 3.26Å; R248-E252 IonicContact CZ-OE1 2.93Å; R248-E252 IonicContact NE-OE1 2.75Å; R248-E252 PolarHBondContact NE-OE1 2.9Å; R248-E252 VanDerWaalsContact NE-OE1 3.17Å; R248-E252 IonicContact NH2-OE1 3.05Å; R248-E252 WeakPolarHBondContact O-CG 3.22Å; R248-E252 PolarHBondContact O-N 3.32Å
249A94.6Very high94.9Very high56 Ų56111.3 Ų111.346%0.46353%0.529SS..Hα-helixtrans-61.8-37.1178.600000111.7E245 M246 E252 L253E245-A249 WeakPolarHBondContact O-CB 3.41Å; E245-A249 PolarHBondContact O-N 2.94Å; M246-A249 PolarHBondContact O-N 3.33Å; A249-E252 PolarHBondContact O-N 3.31Å; A249-L253 WeakPolarHBondContact O-CB 2.97Å; A249-L253 PolarHBondContact O-N 3.14Å
250Q96Very high95Very high95 Ų95109.4 Ų109.444%0.44453%0.527SS..Hα-helixtrans-65.2-43.6175.3-172.561.444.200111.6M246 R248 L253 D254M246-Q250 VanDerWaalsContact O-CB 3.27Å; M246-Q250 WeakPolarHBondContact O-CB 3.42Å; M246-Q250 PolarHBondContact O-N 2.97Å; R248-Q250 VanDerWaalsContact C-N 3.26Å; R248-Q250 PolarHBondContact O-N 2.98Å; Q250-L253 PolarHBondContact O-N 3.11Å; Q250-D254 PolarHBondContact NE2-OD1 3.47Å; Q250-D254 WeakPolarHBondContact O-CB 3.3Å; Q250-D254 VanDerWaalsContact O-CG 3.31Å; Q250-D254 PolarHBondContact O-N 3.37Å
251A95Very high95.2Very high61 Ų61106 Ų10650%0.50452%0.519SS..Hα-helixtrans-64.1-39.8176.200000112.4D247 R248 D254 A255D247-A251 WeakPolarHBondContact O-CB 3.36Å; D247-A251 PolarHBondContact O-N 2.64Å; R248-A251 PolarHBondContact O-N 3.26Å; A251-D254 PolarHBondContact O-N 3.42Å; A251-A255 WeakPolarHBondContact O-CB 3.38Å; A251-A255 PolarHBondContact O-N 2.82Å
252E95.9Very high95.3Very high102 Ų102103.5 Ų103.548%0.47752%0.517SS..Hα-helixtrans-64.4-42.8174.6-72.6178.6-167.700111.4R248 A249 A255 L256R248-E252 IonicContact CZ-OE1 2.93Å; R248-E252 IonicContact NE-OE1 2.75Å; R248-E252 PolarHBondContact NE-OE1 2.9Å; R248-E252 VanDerWaalsContact NE-OE1 3.17Å; R248-E252 IonicContact NH2-OE1 3.05Å; R248-E252 WeakPolarHBondContact O-CG 3.22Å; R248-E252 PolarHBondContact O-N 3.32Å; A249-E252 PolarHBondContact O-N 3.31Å; E252-A255 PolarHBondContact O-N 3.36Å; E252-L256 WeakPolarHBondContact O-CG 3.42Å; E252-L256 PolarHBondContact O-N 3.03Å
253L96.6Very high95.5Very high77 Ų77103.2 Ų103.240%0.40352%0.518SS..Hα-helixtrans-61.9-44.1175.6-170.2104.4000112A249 Q250 A255 L256 K257A249-L253 WeakPolarHBondContact O-CB 2.97Å; A249-L253 PolarHBondContact O-N 3.14Å; Q250-L253 PolarHBondContact O-N 3.11Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-L256 PolarHBondContact O-N 3.13Å; L253-K257 HydrophobicContact CD2-CD 4.37Å; L253-K257 WeakPolarHBondContact O-CG 3.45Å; L253-K257 PolarHBondContact O-N 3Å
254D96.3Very high95.6Very high65 Ų65105.3 Ų105.335%0.34853%0.527SS..Hα-helixtrans-67.8-36.2179.1-71.1-19.4000111.5Q250 A251 R258Q250-D254 PolarHBondContact NE2-OD1 3.47Å; Q250-D254 WeakPolarHBondContact O-CB 3.3Å; Q250-D254 VanDerWaalsContact O-CG 3.31Å; Q250-D254 PolarHBondContact O-N 3.37Å; A251-D254 PolarHBondContact O-N 3.42Å; D254-R258 WeakPolarHBondContact O-CG 3.47Å; D254-R258 PolarHBondContact O-N 2.87Å
255A95.9Very high95.7Very high52 Ų52104.1 Ų104.143%0.4352%0.52SS..Hα-helixtrans-63.1-46.217200000111.4A251 E252 L253 K257 R258 T259A251-A255 WeakPolarHBondContact O-CB 3.38Å; A251-A255 PolarHBondContact O-N 2.82Å; E252-A255 PolarHBondContact O-N 3.36Å; L253-A255 VanDerWaalsContact C-N 3.34Å; A255-K257 PolarHBondContact O-N 2.9Å; A255-R258 PolarHBondContact O-N 3.24Å; A255-T259 WeakPolarHBondContact O-CG2 3.35Å; A255-T259 PolarHBondContact O-N 2.82Å; A255-T259 VanDerWaalsContact O-N 3.09Å
256L95.9Very high95.9Very high117 Ų117100.1 Ų100.161%0.61351%0.509SS*.Hα-helixtrans-62.1-43.7177.8-74.4171.5000112.1E252 L253 R258 T259 E260E252-L256 WeakPolarHBondContact O-CG 3.42Å; E252-L256 PolarHBondContact O-N 3.03Å; L253-L256 PolarHBondContact O-N 3.13Å; L256-R258 VanDerWaalsContact C-N 3.3Å; L256-R258 PolarHBondContact O-N 3.12Å; L256-T259 WeakPolarHBondContact CA-OG1 3.27Å; L256-T259 PolarHBondContact O-N 2.83Å; L256-T259 VanDerWaalsContact O-N 3.11Å; L256-T259 PolarHBondContact O-OG1 2.87Å; L256-E260 PolarHBondContact O-N 3.41Å
257K96.8Very high96Very high115 Ų115100.1 Ų100.150%0.551%0.507SS..Hα-helixtrans-58.7-40.5175.9-78.8178.3178.4174.60112.8L253 A255 E260 E261L253-K257 HydrophobicContact CD2-CD 4.37Å; L253-K257 WeakPolarHBondContact O-CG 3.45Å; L253-K257 PolarHBondContact O-N 3Å; A255-K257 PolarHBondContact O-N 2.9Å; K257-E260 PolarHBondContact O-N 2.89Å; K257-E261 PolarHBondContact O-N 2.9Å
258R96.1Very high96.1Very high180 Ų180102.6 Ų102.668%0.67952%0.516SS*.Hα-helixtrans-62.9-44.1174.9-70.3174.5-172.8-173.63.9111.2D254 A255 L256 E260 E261 D262D254-R258 WeakPolarHBondContact O-CG 3.47Å; D254-R258 PolarHBondContact O-N 2.87Å; A255-R258 PolarHBondContact O-N 3.24Å; L256-R258 VanDerWaalsContact C-N 3.3Å; L256-R258 PolarHBondContact O-N 3.12Å; R258-E260 VanDerWaalsContact C-N 3.33Å; R258-E260 PolarHBondContact O-N 3.46Å; R258-E261 PolarHBondContact O-N 3.47Å; R258-D262 PolarHBondContact O-N 3.33Å
259T95.6Very high96.2Very high84 Ų84102 Ų10252%0.51552%0.518SS..Hα-helixtrans-64.8-36.1177.561.80000112.8A255 L256 L263A255-T259 WeakPolarHBondContact O-CG2 3.35Å; A255-T259 PolarHBondContact O-N 2.82Å; A255-T259 VanDerWaalsContact O-N 3.09Å; L256-T259 WeakPolarHBondContact CA-OG1 3.27Å; L256-T259 PolarHBondContact O-N 2.83Å; L256-T259 VanDerWaalsContact O-N 3.11Å; L256-T259 PolarHBondContact O-OG1 2.87Å; T259-L263 VanDerWaalsContact O-CB 3.29Å; T259-L263 WeakPolarHBondContact O-CB 3.5Å; T259-L263 PolarHBondContact O-N 3.01Å
260E95.2Very high96.3Very high131 Ų131104.3 Ų104.361%0.61252%0.521SS*.Hα-helixtrans-64-45.2174.2-173.9-167163.900111.1L256 K257 R258 L263 K264L256-E260 PolarHBondContact O-N 3.41Å; K257-E260 PolarHBondContact O-N 2.89Å; R258-E260 VanDerWaalsContact C-N 3.33Å; R258-E260 PolarHBondContact O-N 3.46Å; E260-L263 PolarHBondContact O-N 2.9Å; E260-K264 WeakPolarHBondContact O-CB 3.44Å; E260-K264 PolarHBondContact O-N 3.29Å
261E96.9Very high96.3Very high108 Ų108105.6 Ų105.651%0.50553%0.527SS..Hα-helixtrans-64.1-42.6178.6-164.8-174.8157.300111.8K257 R258 K264 K265K257-E261 PolarHBondContact O-N 2.9Å; R258-E261 PolarHBondContact O-N 3.47Å; E261-K264 PolarHBondContact O-N 2.87Å; E261-K265 WeakPolarHBondContact O-CG 3.47Å; E261-K265 PolarHBondContact O-N 3.44Å; E261-K265 VanDerWaalsContact OE1-CE 3.24Å; E261-K265 WeakPolarHBondContact OE1-CE 3.32Å; E261-K265 IonicContact OE1-NZ 3.67Å; E261-K265 PolarHBondContact OE1-NZ 3.25Å
262D95.5Very high96.5Very high101 Ų101108 Ų10854%0.5453%0.528SS..Hα-helixtrans-64.2-40.4175.7-73.6-19.7000111.7R258 K265 G266R258-D262 PolarHBondContact O-N 3.33Å; D262-K265 PolarHBondContact O-N 3.16Å; D262-G266 PolarHBondContact O-N 2.9Å
263L96.2Very high96.5Very high134 Ų134107.6 Ų107.670%0.70253%0.528SS*.Hα-helixtrans-65.8-40.9175.6-17363.4000111.5T259 E260 G266 H267T259-L263 VanDerWaalsContact O-CB 3.29Å; T259-L263 WeakPolarHBondContact O-CB 3.5Å; T259-L263 PolarHBondContact O-N 3.01Å; E260-L263 PolarHBondContact O-N 2.9Å; L263-G266 PolarHBondContact O-N 3.23Å; L263-H267 WeakPolarHBondContact O-CB 3.47Å; L263-H267 PolarHBondContact O-N 3.19Å
264K97.3Very high96.5Very high152 Ų152107.8 Ų107.866%0.66153%0.531SS*.Hα-helixtrans-64-42.5176.4-171.2175.7-177.3176.50111.7E260 E261 G266 H267 Q268E260-K264 WeakPolarHBondContact O-CB 3.44Å; E260-K264 PolarHBondContact O-N 3.29Å; E261-K264 PolarHBondContact O-N 2.87Å; K264-G266 VanDerWaalsContact C-N 3.34Å; K264-H267 PolarHBondContact O-N 3.45Å; K264-Q268 PolarHBondContact O-N 3.46Å
265K97Very high96.6Very high95 Ų95108.2 Ų108.241%0.41354%0.54SS..Hα-helixtrans-62.5-41.2172.2-73.4170-175161.10111.6E261 D262 K269E261-K265 WeakPolarHBondContact O-CG 3.47Å; E261-K265 PolarHBondContact O-N 3.44Å; E261-K265 VanDerWaalsContact OE1-CE 3.24Å; E261-K265 WeakPolarHBondContact OE1-CE 3.32Å; E261-K265 IonicContact OE1-NZ 3.67Å; E261-K265 PolarHBondContact OE1-NZ 3.25Å; D262-K265 PolarHBondContact O-N 3.16Å; K265-K269 WeakPolarHBondContact O-CG 3.4Å; K265-K269 PolarHBondContact O-N 2.99Å; K265-K269 VanDerWaalsContact O-N 3.08Å
266G97.2Very high96.6Very high28 Ų28111.7 Ų111.729%0.28954%0.542SS..Hα-helixtrans-61.4-45.3175.300000112.4D262 L263 K264 K269 L270D262-G266 PolarHBondContact O-N 2.9Å; L263-G266 PolarHBondContact O-N 3.23Å; K264-G266 VanDerWaalsContact C-N 3.34Å; G266-K269 PolarHBondContact O-N 3.49Å; G266-L270 WeakPolarHBondContact O-CG 3.37Å; G266-L270 PolarHBondContact O-N 2.98Å
267H96.6Very high96.6Very high118 Ų118110.8 Ų110.855%0.54654%0.537SS..Hα-helixtrans-60.8-48.5176.6-179.166.2000111.9L263 K264 K269 L270 E271L263-H267 WeakPolarHBondContact O-CB 3.47Å; L263-H267 PolarHBondContact O-N 3.19Å; K264-H267 PolarHBondContact O-N 3.45Å; H267-K269 VanDerWaalsContact C-N 3.3Å; H267-K269 PolarHBondContact O-N 2.88Å; H267-L270 WeakPolarHBondContact O-CB 3.48Å; H267-L270 PolarHBondContact O-N 3.22Å; H267-L270 VanDerWaalsContact O-N 3.12Å; H267-E271 WeakPolarHBondContact O-CB 3.41Å; H267-E271 PolarHBondContact O-N 3.36Å
268Q97.2Very high96.6Very high135 Ų135110.4 Ų110.463%0.63154%0.541SS*.Hα-helixtrans-60.3-39.8178-171.1177.315.500112.2K264 E271 E272K264-Q268 PolarHBondContact O-N 3.46Å; Q268-E271 PolarHBondContact O-N 2.92Å; Q268-E272 PolarHBondContact O-N 3.26Å
269K96.7Very high96.7Very high137 Ų137108.2 Ų108.260%0.59654%0.538SS*.Hα-helixtrans-65-41.4174.7-74.6176.6179.4-178.80112.4K265 G266 H267 E271 E272 M273K265-K269 WeakPolarHBondContact O-CG 3.4Å; K265-K269 PolarHBondContact O-N 2.99Å; K265-K269 VanDerWaalsContact O-N 3.08Å; G266-K269 PolarHBondContact O-N 3.49Å; H267-K269 VanDerWaalsContact C-N 3.3Å; H267-K269 PolarHBondContact O-N 2.88Å; K269-E271 VanDerWaalsContact C-N 3.34Å; K269-E272 PolarHBondContact O-N 3.05Å; K269-M273 WeakPolarHBondContact O-CG 3.44Å; K269-M273 PolarHBondContact O-N 2.95Å
270L96.3Very high96.7Very high104 Ų104109 Ų10955%0.54554%0.536SS..Hα-helixtrans-63.5-43.1176.9-74.8165.9000110.9G266 H267 M273 V274G266-L270 WeakPolarHBondContact O-CG 3.37Å; G266-L270 PolarHBondContact O-N 2.98Å; H267-L270 WeakPolarHBondContact O-CB 3.48Å; H267-L270 PolarHBondContact O-N 3.22Å; H267-L270 VanDerWaalsContact O-N 3.12Å; L270-M273 HydrophobicContact CD2-CE 3.72Å; L270-M273 HydrophobicContact CG-CE 4.26Å; L270-M273 PolarHBondContact O-N 3.23Å; L270-V274 VanDerWaalsContact O-CG2 3.3Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.44Å
271E97.3Very high96.8Very high121 Ų121106.7 Ų106.757%0.56553%0.531SS*.Hα-helixtrans-62.7-41.9177.2-167.1170.6-16000111.8H267 Q268 K269 V274 S275H267-E271 WeakPolarHBondContact O-CB 3.41Å; H267-E271 PolarHBondContact O-N 3.36Å; Q268-E271 PolarHBondContact O-N 2.92Å; K269-E271 VanDerWaalsContact C-N 3.34Å; E271-V274 PolarHBondContact O-N 3.41Å; E271-S275 WeakPolarHBondContact O-CB 3.38Å; E271-S275 PolarHBondContact O-N 3.43Å
272E97.4Very high96.8Very high112 Ų112103.3 Ų103.352%0.52352%0.521SS..Hα-helixtrans-62.4-43.1173.5-166.6-165.3149.500112.1Q268 K269 S275 R276Q268-E272 PolarHBondContact O-N 3.26Å; K269-E272 PolarHBondContact O-N 3.05Å; E272-S275 PolarHBondContact O-N 2.96Å; E272-R276 WeakPolarHBondContact O-CB 3.33Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-NH2 2.72Å; E272-R276 PolarHBondContact OE1-NH2 2.98Å
273M96.2Very high96.9Very high94 Ų94103.2 Ų103.246%0.46352%0.517SS..Hα-helixtrans-65.5-40.5177.6-74.1-174.1-64.400112.1K269 L270 R276 L277K269-M273 WeakPolarHBondContact O-CG 3.44Å; K269-M273 PolarHBondContact O-N 2.95Å; L270-M273 HydrophobicContact CD2-CE 3.72Å; L270-M273 HydrophobicContact CG-CE 4.26Å; L270-M273 PolarHBondContact O-N 3.23Å; M273-R276 PolarHBondContact O-N 2.91Å; M273-L277 WeakPolarHBondContact O-CG 3.35Å; M273-L277 PolarHBondContact O-N 2.95Å
274V97.2Very high96.9Very high80 Ų80100.8 Ų100.849%0.48551%0.508SS..Hα-helixtrans-62.9-48.3175.6170.10000110.2L270 E271 R276 L277 D278L270-V274 VanDerWaalsContact O-CG2 3.3Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.44Å; E271-V274 PolarHBondContact O-N 3.41Å; V274-R276 PolarHBondContact O-N 3.46Å; V274-L277 PolarHBondContact O-N 3.3Å; V274-L277 VanDerWaalsContact O-N 3.14Å; V274-D278 PolarHBondContact O-N 2.83Å
275S97.5Very high96.9Very high75 Ų7597.6 Ų97.652%0.52450%0.498SS..Hα-helixtrans-59.6-35.6177.2-178.40000112.5E271 E272 Q279E271-S275 WeakPolarHBondContact O-CB 3.38Å; E271-S275 PolarHBondContact O-N 3.43Å; E272-S275 PolarHBondContact O-N 2.96Å; S275-Q279 PolarHBondContact O-N 3.49Å
276R97.4Very high96.9Very high124 Ų124100.4 Ų100.447%0.46851%0.506SS..Hα-helixtrans-68.1-45176-170.6-177.5-56171.53.7111.6E272 M273 V274 D278 Q279 E280E272-R276 WeakPolarHBondContact O-CB 3.33Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-NH2 2.72Å; E272-R276 PolarHBondContact OE1-NH2 2.98Å; M273-R276 PolarHBondContact O-N 2.91Å; V274-R276 PolarHBondContact O-N 3.46Å; R276-D278 VanDerWaalsContact C-N 3.34Å; R276-D278 PolarHBondContact O-N 3.18Å; R276-Q279 WeakPolarHBondContact O-CB 3.42Å; R276-Q279 PolarHBondContact O-N 2.92Å; R276-E280 WeakPolarHBondContact O-CG 3.4Å; R276-E280 PolarHBondContact O-N 2.92Å
277L95.9Very high96.8Very high99 Ų99102.7 Ų102.752%0.51851%0.512SS..Hα-helixtrans-61.3-42.2176.9-75.2169.7000111.5M273 V274 Q279 E280 V281M273-L277 WeakPolarHBondContact O-CG 3.35Å; M273-L277 PolarHBondContact O-N 2.95Å; V274-L277 PolarHBondContact O-N 3.3Å; V274-L277 VanDerWaalsContact O-N 3.14Å; L277-Q279 VanDerWaalsContact C-N 3.27Å; L277-Q279 PolarHBondContact O-N 3.46Å; L277-E280 PolarHBondContact O-N 2.84Å; L277-V281 VanDerWaalsContact O-CG2 3.31Å; L277-V281 WeakPolarHBondContact O-CG2 3.21Å; L277-V281 PolarHBondContact O-N 3.37Å
278D96.9Very high96.8Very high107 Ų107100.4 Ų100.457%0.57250%0.503SS*.Hα-helixtrans-61.4-38.1175.8-72.9-24.4000111.8V274 R276 A282V274-D278 PolarHBondContact O-N 2.83Å; R276-D278 VanDerWaalsContact C-N 3.34Å; R276-D278 PolarHBondContact O-N 3.18Å; D278-A282 WeakPolarHBondContact O-CB 3.45Å; D278-A282 PolarHBondContact O-N 2.93Å
279Q96.9Very high96.8Very high133 Ų13397.7 Ų97.762%0.62149%0.493SS*.Hα-helixtrans-68.5-41.3176.4-166.9172.78.300112.1S275 R276 L277 A282 E283S275-Q279 PolarHBondContact O-N 3.49Å; R276-Q279 WeakPolarHBondContact O-CB 3.42Å; R276-Q279 PolarHBondContact O-N 2.92Å; L277-Q279 VanDerWaalsContact C-N 3.27Å; L277-Q279 PolarHBondContact O-N 3.46Å; Q279-A282 PolarHBondContact O-N 3.46Å; Q279-E283 PolarHBondContact O-N 3.32Å
280E95.9Very high96.8Very high100 Ų10095.4 Ų95.447%0.46749%0.487SS..Hα-helixtrans-64.5-43.3175.5-74.5179.1-171.800111.5R276 L277 A282 E283 V284R276-E280 WeakPolarHBondContact O-CG 3.4Å; R276-E280 PolarHBondContact O-N 2.92Å; L277-E280 PolarHBondContact O-N 2.84Å; E280-A282 PolarHBondContact O-N 3.04Å; E280-E283 PolarHBondContact O-N 3.41Å; E280-E283 VanDerWaalsContact O-N 3.15Å; E280-V284 WeakPolarHBondContact O-CG2 3.42Å; E280-V284 PolarHBondContact O-N 3.33Å
281V97.2Very high96.6Very high84 Ų8496.2 Ų96.251%0.50949%0.491SS..Hα-helixtrans-58.8-48.1175169.50000110.4L277 E283 V284 D285L277-V281 VanDerWaalsContact O-CG2 3.31Å; L277-V281 WeakPolarHBondContact O-CG2 3.21Å; L277-V281 PolarHBondContact O-N 3.37Å; V281-E283 PolarHBondContact O-N 3.06Å; V281-V284 PolarHBondContact O-N 2.89Å; V281-D285 PolarHBondContact O-N 3.18Å
282A97.1Very high96.6Very high37 Ų3796.8 Ų96.831%0.30649%0.491SS..Hα-helixtrans-63.6-29.3178.100000113.1D278 Q279 E280 R286D278-A282 WeakPolarHBondContact O-CB 3.45Å; D278-A282 PolarHBondContact O-N 2.93Å; Q279-A282 PolarHBondContact O-N 3.46Å; E280-A282 PolarHBondContact O-N 3.04Å; A282-R286 VanDerWaalsContact O-CG 3.32Å; A282-R286 WeakPolarHBondContact O-CG 3.5Å; A282-R286 PolarHBondContact O-N 3.45Å; A282-R286 PolarHBondContact O-NE 2.95Å
283E96.9Very high96.6Very high99 Ų9998.7 Ų98.746%0.46349%0.494SS..Hα-helixtrans-74-43.9174.1-174.8176.5170.500112Q279 E280 V281 D285 R286 N287Q279-E283 PolarHBondContact O-N 3.32Å; E280-E283 PolarHBondContact O-N 3.41Å; E280-E283 VanDerWaalsContact O-N 3.15Å; V281-E283 PolarHBondContact O-N 3.06Å; E283-D285 VanDerWaalsContact C-N 3.32Å; E283-D285 PolarHBondContact O-N 3.03Å; E283-R286 PolarHBondContact O-N 3.07Å; E283-N287 PolarHBondContact O-N 3.25Å; E283-N287 PolarHBondContact O-ND2 3.47Å
284V96.4Very high96.5Very high82 Ų8298.9 Ų98.950%0.49749%0.492SS..Hα-helixtrans-59.9-43.9175.7171.40000110.6E280 V281 R286 N287 I288E280-V284 WeakPolarHBondContact O-CG2 3.42Å; E280-V284 PolarHBondContact O-N 3.33Å; V281-V284 PolarHBondContact O-N 2.89Å; V284-R286 PolarHBondContact O-N 2.82Å; V284-N287 WeakPolarHBondContact O-CB 3.39Å; V284-N287 PolarHBondContact O-N 2.79Å; V284-N287 VanDerWaalsContact O-N 3.14Å; V284-I288 HydrophobicContact CG1-CD1 3.85Å; V284-I288 HydrophobicContact CG1-CG1 4.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.5Å; V284-I288 PolarHBondContact O-N 3.45Å
285D96.7Very high96.4Very high86 Ų86100.2 Ų100.246%0.4650%0.496SS..Hα-helixtrans-60.8-43.3176.7-74.7-25.2000112V281 E283 N287 I288 D289V281-D285 PolarHBondContact O-N 3.18Å; E283-D285 VanDerWaalsContact C-N 3.32Å; E283-D285 PolarHBondContact O-N 3.03Å; D285-N287 VanDerWaalsContact C-N 3.31Å; D285-N287 PolarHBondContact O-N 3.19Å; D285-I288 PolarHBondContact O-N 3.5Å; D285-D289 PolarHBondContact O-N 3.13Å
286R97.2Very high96.3Very high153 Ų153102.8 Ų102.858%0.57750%0.5SS*.Hα-helixtrans-60.9-40.2174-74.7-178.9-126.8118.12.9112.2A282 E283 V284 D289 L290A282-R286 VanDerWaalsContact O-CG 3.32Å; A282-R286 WeakPolarHBondContact O-CG 3.5Å; A282-R286 PolarHBondContact O-N 3.45Å; A282-R286 PolarHBondContact O-NE 2.95Å; E283-R286 PolarHBondContact O-N 3.07Å; V284-R286 PolarHBondContact O-N 2.82Å; R286-D289 PolarHBondContact O-N 2.98Å; R286-L290 WeakPolarHBondContact O-CB 3.42Å; R286-L290 PolarHBondContact O-N 3.45Å
287N95.8Very high96.2Very high77 Ų77102 Ų10241%0.41250%0.501SS..Hα-helixtrans-68.3-39.8178.4-72.7-24.2000111.7E283 V284 D285 D289 L290 L291E283-N287 PolarHBondContact O-N 3.25Å; E283-N287 PolarHBondContact O-ND2 3.47Å; V284-N287 WeakPolarHBondContact O-CB 3.39Å; V284-N287 PolarHBondContact O-N 2.79Å; V284-N287 VanDerWaalsContact O-N 3.14Å; D285-N287 VanDerWaalsContact C-N 3.31Å; D285-N287 PolarHBondContact O-N 3.19Å; N287-D289 VanDerWaalsContact C-N 3.35Å; N287-L290 PolarHBondContact O-N 3.34Å; N287-L291 WeakPolarHBondContact O-CB 3.33Å; N287-L291 WeakPolarHBondContact O-CG 3.35Å; N287-L291 PolarHBondContact O-N 3.12Å
288I96.7Very high96Very high70 Ų70102.5 Ų102.536%0.35950%0.504SS..Hα-helixtrans-60.2-46.6174.2-70.9167.6000110.2V284 D285 L290 L291 K292V284-I288 HydrophobicContact CG1-CD1 3.85Å; V284-I288 HydrophobicContact CG1-CG1 4.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.5Å; V284-I288 PolarHBondContact O-N 3.45Å; D285-I288 PolarHBondContact O-N 3.5Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 2.92Å; I288-L291 PolarHBondContact O-N 3.24Å; I288-K292 HydrophobicContact CG2-CD 4.16Å; I288-K292 WeakPolarHBondContact O-CG 3.47Å; I288-K292 PolarHBondContact O-N 3.45Å
289D96.9Very high95.8Very high78 Ų78100.3 Ų100.342%0.41750%0.498SS..Hα-helixtrans-64-38.8178.7-77.1-12.2000112.5D285 R286 N287 R293D285-D289 PolarHBondContact O-N 3.13Å; R286-D289 PolarHBondContact O-N 2.98Å; N287-D289 VanDerWaalsContact C-N 3.35Å; D289-R293 WeakPolarHBondContact O-CG 3.37Å; D289-R293 PolarHBondContact O-N 2.84Å; D289-R293 VanDerWaalsContact O-N 3.15Å
290L96.1Very high95.7Very high89 Ų8998.6 Ų98.647%0.46649%0.49SS..Hα-helixtrans-64.1-46.4175.4-178.566.5000111.3R286 N287 I288 R293 K294R286-L290 WeakPolarHBondContact O-CB 3.42Å; R286-L290 PolarHBondContact O-N 3.45Å; N287-L290 PolarHBondContact O-N 3.34Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 2.92Å; L290-R293 PolarHBondContact O-N 3.43Å; L290-K294 WeakPolarHBondContact O-CG 3.38Å; L290-K294 PolarHBondContact O-N 2.94Å
291L93.4Very high95.4Very high120 Ų12095.9 Ų95.963%0.62848%0.484SS*.Hα-helixtrans-63.3-42.3179.3-74.6172.2000111.5N287 I288 R293 K294 D295N287-L291 WeakPolarHBondContact O-CB 3.33Å; N287-L291 WeakPolarHBondContact O-CG 3.35Å; N287-L291 PolarHBondContact O-N 3.12Å; I288-L291 PolarHBondContact O-N 3.24Å; L291-R293 PolarHBondContact O-N 3.46Å; L291-K294 PolarHBondContact O-N 2.9Å; L291-K294 VanDerWaalsContact O-N 3.15Å; L291-D295 WeakPolarHBondContact O-CB 3.18Å; L291-D295 PolarHBondContact O-N 3.15Å
292K96.4Very high94.9Very high133 Ų13397.1 Ų97.158%0.57849%0.487SS*.Hα-helixtrans-58.3-45174.8-76.3176.3179.3173.30112.4I288 K294 D295 E296I288-K292 HydrophobicContact CG2-CD 4.16Å; I288-K292 WeakPolarHBondContact O-CG 3.47Å; I288-K292 PolarHBondContact O-N 3.45Å; K292-K294 VanDerWaalsContact C-N 3.31Å; K292-K294 PolarHBondContact O-N 3.25Å; K292-D295 PolarHBondContact O-N 3.43Å; K292-E296 WeakPolarHBondContact O-CB 3.39Å; K292-E296 PolarHBondContact O-N 2.92Å
293R96.8Very high94.5Very high152 Ų152101.1 Ų101.157%0.57450%0.499SS*.Hα-helixtrans-62-40175.6-70.4-179.9-138.4163.74.4111.9D289 L290 L291 E296 E297D289-R293 WeakPolarHBondContact O-CG 3.37Å; D289-R293 PolarHBondContact O-N 2.84Å; D289-R293 VanDerWaalsContact O-N 3.15Å; L290-R293 PolarHBondContact O-N 3.43Å; L291-R293 PolarHBondContact O-N 3.46Å; R293-E296 PolarHBondContact O-N 3.46Å; R293-E297 WeakPolarHBondContact O-CG 3.41Å; R293-E297 PolarHBondContact O-N 2.91Å
294K95.3Very high94.1Very high99 Ų99101.9 Ų101.943%0.4350%0.501SS..Hα-helixtrans-67.9-37.4177.4-70.4-64.6175.4-166.70112.8L290 L291 K292 E296 E297 L298L290-K294 WeakPolarHBondContact O-CG 3.38Å; L290-K294 PolarHBondContact O-N 2.94Å; L291-K294 PolarHBondContact O-N 2.9Å; L291-K294 VanDerWaalsContact O-N 3.15Å; K292-K294 VanDerWaalsContact C-N 3.31Å; K292-K294 PolarHBondContact O-N 3.25Å; K294-E296 VanDerWaalsContact C-N 3.32Å; K294-E297 WeakPolarHBondContact CD-OE2 3.22Å; K294-E297 IonicContact NZ-OE1 3.17Å; K294-E297 IonicContact NZ-OE2 3.86Å; K294-E297 PolarHBondContact NZ-OE2 3.12Å; K294-E297 PolarHBondContact O-N 2.75Å; K294-L298 WeakPolarHBondContact O-CB 3.46Å; K294-L298 VanDerWaalsContact O-CG 3.27Å; K294-L298 WeakPolarHBondContact O-CG 3.1Å; K294-L298 PolarHBondContact O-N 3.42Å
295D94Very high93.2Very high107 Ų107103.9 Ų103.957%0.57251%0.507SS*.Hα-helixtrans-65.9-38.6175.7-155.238000111.1L291 K292 L298 S299L291-D295 WeakPolarHBondContact O-CB 3.18Å; L291-D295 PolarHBondContact O-N 3.15Å; K292-D295 PolarHBondContact O-N 3.43Å; D295-L298 PolarHBondContact O-N 3.31Å; D295-S299 VanDerWaalsContact O-CB 3.29Å; D295-S299 WeakPolarHBondContact O-CB 3.33Å; D295-S299 PolarHBondContact O-N 3.02Å; D295-S299 PolarHBondContact O-OG 2.91Å
296E96.3Very high92.4Very high129 Ų129106.5 Ų106.560%0.60352%0.516SS*.Hα-helixtrans-68-44.7174.2-164.5160.3-150.500111.9K292 R293 K294 L298 S299 E300K292-E296 WeakPolarHBondContact O-CB 3.39Å; K292-E296 PolarHBondContact O-N 2.92Å; R293-E296 PolarHBondContact O-N 3.46Å; K294-E296 VanDerWaalsContact C-N 3.32Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.32Å; E296-S299 PolarHBondContact O-N 3.15Å; E296-E300 PolarHBondContact O-N 3.02Å
297E94.8Very high91.4Very high107 Ų107104.8 Ų104.850%0.552%0.519SS..Hα-helixtrans-56.9-42.9172.9-76.9174.2-162.400112.2R293 K294 A301R293-E297 WeakPolarHBondContact O-CG 3.41Å; R293-E297 PolarHBondContact O-N 2.91Å; K294-E297 WeakPolarHBondContact CD-OE2 3.22Å; K294-E297 IonicContact NZ-OE1 3.17Å; K294-E297 IonicContact NZ-OE2 3.86Å; K294-E297 PolarHBondContact NZ-OE2 3.12Å; K294-E297 PolarHBondContact O-N 2.75Å; E297-A301 WeakPolarHBondContact O-CB 3.33Å; E297-A301 PolarHBondContact O-N 2.75Å; E297-A301 VanDerWaalsContact O-N 3.08Å
298L91.5Very high90.1Very high110 Ų110107 Ų10758%0.57653%0.526SS*.Hα-helixtrans-70.6-40.8178.3-74.3171.3000111.9K294 D295 E296 A301 L302K294-L298 WeakPolarHBondContact O-CB 3.46Å; K294-L298 VanDerWaalsContact O-CG 3.27Å; K294-L298 WeakPolarHBondContact O-CG 3.1Å; K294-L298 PolarHBondContact O-N 3.42Å; D295-L298 PolarHBondContact O-N 3.31Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.32Å; L298-A301 PolarHBondContact O-N 2.89Å; L298-L302 WeakPolarHBondContact O-CB 3.19Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.8Å
299S94.3Very high88.2Confident62 Ų62106.9 Ų106.943%0.43453%0.532SS..Hα-helixtrans-61.8-44.5177-62.50000111D295 E296 A301 L302 E303D295-S299 VanDerWaalsContact O-CB 3.29Å; D295-S299 WeakPolarHBondContact O-CB 3.33Å; D295-S299 PolarHBondContact O-N 3.02Å; D295-S299 PolarHBondContact O-OG 2.91Å; E296-S299 PolarHBondContact O-N 3.15Å; S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 2.94Å; S299-L302 PolarHBondContact O-N 2.79Å; S299-E303 WeakPolarHBondContact O-CB 3.46Å; S299-E303 PolarHBondContact O-N 3.48Å
300E94.3Very high86.4Confident97 Ų97112.1 Ų112.145%0.45355%0.554SS.*Hα-helixtrans-62.1-40.2173.2-76.7-169.8-163.600112.6E296 L302 E303 K304E296-E300 PolarHBondContact O-N 3.02Å; E300-L302 VanDerWaalsContact C-N 3.35Å; E300-E303 PolarHBondContact O-N 2.9Å; E300-K304 WeakPolarHBondContact O-CB 3.48Å; E300-K304 WeakPolarHBondContact O-CD 3.37Å; E300-K304 VanDerWaalsContact O-CG 3.23Å; E300-K304 WeakPolarHBondContact O-CG 3.3Å; E300-K304 PolarHBondContact O-N 2.82Å; E300-K304 IonicContact OE2-NZ 2.73Å; E300-K304 PolarHBondContact OE2-NZ 3.47Å
301A89.3Confident84.7Confident42 Ų42115.2 Ų115.235%0.34757%0.571SS.*Hα-helixtrans-65.4-40.6177.800000111.3E297 L298 S299 K304 M305E297-A301 WeakPolarHBondContact O-CB 3.33Å; E297-A301 PolarHBondContact O-N 2.75Å; E297-A301 VanDerWaalsContact O-N 3.08Å; L298-A301 PolarHBondContact O-N 2.89Å; S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 2.94Å; A301-K304 PolarHBondContact O-N 3.1Å; A301-M305 VanDerWaalsContact O-CG 3.3Å; A301-M305 WeakPolarHBondContact O-CG 3.43Å; A301-M305 PolarHBondContact O-N 3.2Å
302L86.8Confident83Confident111 Ų111113.9 Ų113.958%0.58156%0.564SS**Hα-helixtrans-64.1-45.2175.1-73.4170.8000111.4L298 S299 E300 K304 M305 E306L298-L302 WeakPolarHBondContact O-CB 3.19Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.8Å; S299-L302 PolarHBondContact O-N 2.79Å; E300-L302 VanDerWaalsContact C-N 3.35Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.15Å; L302-M305 CarbonylContact O-C 3.54Å; L302-M305 PolarHBondContact O-N 3.27Å; L302-M305 VanDerWaalsContact O-N 3.12Å; L302-E306 WeakPolarHBondContact O-CB 3.47Å; L302-E306 PolarHBondContact O-N 3.47Å
303E89.4Confident81.7Confident120 Ų120112.2 Ų112.256%0.56156%0.562SS**Hα-helixtrans-62.3-39.7176.4-171.1-180-176.100111.4S299 E300 M305 E306 N307S299-E303 WeakPolarHBondContact O-CB 3.46Å; S299-E303 PolarHBondContact O-N 3.48Å; E300-E303 PolarHBondContact O-N 2.9Å; E303-M305 PolarHBondContact O-N 3.17Å; E303-E306 PolarHBondContact O-N 3.11Å; E303-N307 WeakPolarHBondContact O-CB 3.44Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 3.45Å; E303-N307 PolarHBondContact O-ND2 3.45Å; E303-N307 VanDerWaalsContact O-ND2 3.09Å
304K87Confident80.1Confident116 Ų116111 Ų11150%0.50457%0.565SS.*Hα-helixtrans-62.3-40.9172.9-74.6164.4-171151.50111.9E300 A301 L302 Q308E300-K304 WeakPolarHBondContact O-CB 3.48Å; E300-K304 WeakPolarHBondContact O-CD 3.37Å; E300-K304 VanDerWaalsContact O-CG 3.23Å; E300-K304 WeakPolarHBondContact O-CG 3.3Å; E300-K304 PolarHBondContact O-N 2.82Å; E300-K304 IonicContact OE2-NZ 2.73Å; E300-K304 PolarHBondContact OE2-NZ 3.47Å; A301-K304 PolarHBondContact O-N 3.1Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.15Å; K304-Q308 VanDerWaalsContact O-CG 3.26Å; K304-Q308 WeakPolarHBondContact O-CG 3.32Å; K304-Q308 PolarHBondContact O-N 2.93Å
305M78.8Confident78.8Confident124 Ų124112 Ų11261%0.61158%0.575SS**Hα-helixtrans-70-40177.1-72.8176.667.700112.4A301 L302 E303 Q308 S309A301-M305 VanDerWaalsContact O-CG 3.3Å; A301-M305 WeakPolarHBondContact O-CG 3.43Å; A301-M305 PolarHBondContact O-N 3.2Å; L302-M305 CarbonylContact O-C 3.54Å; L302-M305 PolarHBondContact O-N 3.27Å; L302-M305 VanDerWaalsContact O-N 3.12Å; E303-M305 PolarHBondContact O-N 3.17Å; M305-Q308 PolarHBondContact O-N 3.44Å; M305-Q308 VanDerWaalsContact O-N 3.17Å; M305-S309 PolarHBondContact O-N 3.34Å
306E78.4Confident77.7Confident140 Ų140112.3 Ų112.365%0.65458%0.577SS**Hα-helixtrans-64-44.9177.2-172.9169-165.800110.6L302 E303 Q308 S309L302-E306 WeakPolarHBondContact O-CB 3.47Å; L302-E306 PolarHBondContact O-N 3.47Å; E303-E306 PolarHBondContact O-N 3.11Å; E306-Q308 PolarHBondContact O-N 3.41Å; E306-S309 WeakPolarHBondContact O-CB 3.28Å; E306-S309 PolarHBondContact O-N 3Å; E306-S309 PolarHBondContact O-OG 2.9Å
307N77.3Confident76.4Confident118 Ų118111 Ų11163%0.63158%0.578SS**Hα-helixtrans-64.3-23.1174-73.5-35.3000113.6E303E303-N307 WeakPolarHBondContact O-CB 3.44Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 3.45Å; E303-N307 PolarHBondContact O-ND2 3.45Å; E303-N307 VanDerWaalsContact O-ND2 3.09Å
308Q67.9Low75.2Confident122 Ų122112 Ų11257%0.5759%0.585SS**Hα-helixtrans-85.8-18.9172.9-73.1173.38.500112.9K304 M305 E306 E310 N311 N312K304-Q308 VanDerWaalsContact O-CG 3.26Å; K304-Q308 WeakPolarHBondContact O-CG 3.32Å; K304-Q308 PolarHBondContact O-N 2.93Å; M305-Q308 PolarHBondContact O-N 3.44Å; M305-Q308 VanDerWaalsContact O-N 3.17Å; E306-Q308 PolarHBondContact O-N 3.41Å; Q308-E310 VanDerWaalsContact C-N 3.32Å; Q308-E310 PolarHBondContact O-N 3.45Å; Q308-N311 PolarHBondContact O-N 2.86Å; Q308-N312 PolarHBondContact O-OD1 3.14Å
309S57.8Low74.5Confident68 Ų68109.9 Ų109.948%0.47658%0.577SS.*Hα-helixtrans-70.6-22.2-172.573.80000114.6M305 E306 N311M305-S309 PolarHBondContact O-N 3.34Å; E306-S309 WeakPolarHBondContact O-CB 3.28Å; E306-S309 PolarHBondContact O-N 3Å; E306-S309 PolarHBondContact O-OG 2.9Å; S309-N311 PolarHBondContact O-N 3Å
310E58.8Low74Confident189 Ų189108.8 Ų108.888%0.88357%0.568SS**THydrogen-bonded Turntrans-70.6-10.8174.5-68.2-166157.300113.4Q308Q308-E310 VanDerWaalsContact C-N 3.32Å; Q308-E310 PolarHBondContact O-N 3.45Å
311N59.4Low73.5Confident154 Ų154111.3 Ų111.382%0.82459%0.59SS**THydrogen-bonded Turntrans-12210.4-173.5-126.44.2000114.1Q308 S309 D313Q308-N311 PolarHBondContact O-N 2.86Å; S309-N311 PolarHBondContact O-N 3Å; N311-D313 PolarHBondContact O-N 3.41Å
312N59.2Low73.3Confident92 Ų92110.8 Ų110.849%0.49259%0.586SS.*  trans-83.4107.4-177-71.9-23.1000110.5Q308 I314 V317Q308-N312 PolarHBondContact O-OD1 3.14Å; N312-I314 PolarHBondContact O-N 3.3Å; N312-V317 HydrophobicContact CB-CG2 4.21Å
313D67.6Low73.4Confident98 Ų98111.2 Ų111.252%0.52460%0.595SS.*  trans-56.5134.6165-162.6-16.5000109N311 D315 D316N311-D313 PolarHBondContact O-N 3.41Å; D313-D315 PolarHBondContact O-N 2.94Å; D313-D315 VanDerWaalsContact O-N 3.1Å; D313-D316 PolarHBondContact O-N 3.13Å
314I64.4Low73.4Confident125 Ų125107.8 Ų107.864%0.64158%0.58SS**Hα-helixtrans-57.7-30-177.5-64.8170.3000110.1N312 D316 V317 I318N312-I314 PolarHBondContact O-N 3.3Å; I314-D316 VanDerWaalsContact C-N 3.26Å; I314-D316 PolarHBondContact O-N 3.15Å; I314-V317 PolarHBondContact O-N 2.78Å; I314-I318 HydrophobicContact CG2-CD1 4.46Å; I314-I318 PolarHBondContact O-N 2.83Å
315D67.6Low73.5Confident121 Ų121107 Ų10765%0.64758%0.575SS**Hα-helixtrans-67.7-20.5178.4-72-12.4000113.7D313D313-D315 PolarHBondContact O-N 2.94Å; D313-D315 VanDerWaalsContact O-N 3.1Å
316D70.4Confident74Confident113 Ų113105 Ų10560%0.60456%0.563SS**Hα-helixtrans-90.7-18.3175.3-79.5-23.8000113D313 I314 V319D313-D316 PolarHBondContact O-N 3.13Å; I314-D316 VanDerWaalsContact C-N 3.26Å; I314-D316 PolarHBondContact O-N 3.15Å; D316-V319 WeakPolarHBondContact O-CG2 3.31Å
317V68.7Low74.6Confident103 Ų103102.4 Ų102.462%0.62455%0.551SS**Hα-helixtrans-81.6-33.4177.1-177.70000111.1N312 I314N312-V317 HydrophobicContact CB-CG2 4.21Å; I314-V317 PolarHBondContact O-N 2.78Å
318I70.4Confident75.3Confident127 Ų12797.6 Ų97.665%0.65153%0.525SS*.SBendtrans-109.674.7-176.5-50.6179.6000109.8I314I314-I318 HydrophobicContact CG2-CD1 4.46Å; I314-I318 PolarHBondContact O-N 2.83Å
319V76.8Confident76.4Confident66 Ų6696 Ų9640%0.452%0.52SS..  trans-104.4135.3176.9-171.50000110.7D316 K326D316-V319 WeakPolarHBondContact O-CG2 3.31Å; V319-K326 HydrophobicContact CG1-CD 3.86Å; V319-K326 HydrophobicContact CG1-CG 4.46Å
320P83.1Confident78Confident38 Ų3897 Ų9725%0.24752%0.52CS..  trans-61150.2173.4-26.838000112.8A322 K326 L329P320-A322 PolarHBondContact O-N 2.94Å; P320-K326 HydrophobicContact CG-CB 4.33Å; P320-L329 HydrophobicContact CG-CB 4.32Å; P320-L329 HydrophobicContact CG-CD2 3.74Å
321T83.8Confident79.6Confident151 Ų15188.6 Ų88.693%0.92648%0.481SS*.SBendtrans-56.5-22.8-173.3-43.30000114.9
322A86.4Confident81.1Confident31 Ų3186.9 Ų86.926%0.25646%0.464SS..SBendtrans-135.6150.8179.700000111.8P320 L324 Y325 K326P320-A322 PolarHBondContact O-N 2.94Å; A322-L324 PolarHBondContact O-N 3.23Å; A322-L324 VanDerWaalsContact O-N 3.14Å; A322-Y325 HydrophobicContact CB-CD2 3.53Å; A322-Y325 HydrophobicContact CB-CE2 3.91Å; A322-Y325 HydrophobicContact CB-CG 4.48Å; A322-Y325 PolarHBondContact O-N 2.85Å; A322-K326 PolarHBondContact O-N 2.93Å; A322-K326 VanDerWaalsContact O-N 3.11Å
323P88.6Confident82.7Confident119 Ų11985.1 Ų85.177%0.77346%0.462SS*.Hα-helixtrans-54.9-34.7178.1-26.334.1000113.6K326 Q327P323-K326 WeakPolarHBondContact O-CB 3.47Å; P323-K326 PolarHBondContact O-N 3.36Å; P323-Q327 PolarHBondContact O-N 3.47Å
324L89.1Confident84Confident48 Ų4884 Ų8425%0.25145%0.454SS..Hα-helixtrans-66.7-38.9177.8-176.360.6000112.3A322 Q327 I328 A380 T383 A384A322-L324 PolarHBondContact O-N 3.23Å; A322-L324 VanDerWaalsContact O-N 3.14Å; L324-Q327 WeakPolarHBondContact O-CB 3.34Å; L324-Q327 PolarHBondContact O-N 2.87Å; L324-I328 WeakPolarHBondContact O-CG1 3.3Å; L324-I328 PolarHBondContact O-N 3.2Å; L324-A380 HydrophobicContact CD1-CB 4.15Å; L324-T383 HydrophobicContact CD2-CG2 4.04Å; L324-A384 HydrophobicContact CD2-CB 3.64Å; L324-A384 HydrophobicContact CG-CB 4.2Å
325Y89.4Confident85.4Confident101 Ų10178.5 Ų78.540%0.39643%0.425SS..Hα-helixtrans-70.3-35.9175.6-61.4-55.5000111.5A322 Q327 I328 L329 A384 L386A322-Y325 HydrophobicContact CB-CD2 3.53Å; A322-Y325 HydrophobicContact CB-CE2 3.91Å; A322-Y325 HydrophobicContact CB-CG 4.48Å; A322-Y325 PolarHBondContact O-N 2.85Å; Y325-Q327 VanDerWaalsContact C-N 3.31Å; Y325-Q327 PolarHBondContact O-N 3.21Å; Y325-I328 HydrophobicContact CD1-CD1 4.36Å; Y325-I328 PolarHBondContact O-N 3.36Å; Y325-L329 WeakPolarHBondContact O-CB 3.49Å; Y325-L329 PolarHBondContact O-N 2.87Å; Y325-A384 HydrophobicContact CE1-CB 4.04Å; Y325-L386 HydrophobicContact CD1-CD1 4.49Å; Y325-L386 HydrophobicContact CE1-CD1 4.17Å
326K89.7Confident86.6Confident81 Ų8175.1 Ų75.135%0.35241%0.407SS..Hα-helixtrans-58.5-43.9170.6-170.9176.3-1721630111.2V319 P320 A322 P323 L329 N330V319-K326 HydrophobicContact CG1-CD 3.86Å; V319-K326 HydrophobicContact CG1-CG 4.46Å; P320-K326 HydrophobicContact CG-CB 4.33Å; A322-K326 PolarHBondContact O-N 2.93Å; A322-K326 VanDerWaalsContact O-N 3.11Å; P323-K326 WeakPolarHBondContact O-CB 3.47Å; P323-K326 PolarHBondContact O-N 3.36Å; K326-L329 PolarHBondContact O-N 3.06Å; K326-N330 PolarHBondContact O-N 3.42Å
327Q91.1Very high87.8Confident85 Ų8572.1 Ų72.140%0.39740%0.398SS..Hα-helixtrans-61.2-45.2175.3-171.9179.110.200111.9P323 L324 Y325 L329 N330 L331P323-Q327 PolarHBondContact O-N 3.47Å; L324-Q327 WeakPolarHBondContact O-CB 3.34Å; L324-Q327 PolarHBondContact O-N 2.87Å; Y325-Q327 VanDerWaalsContact C-N 3.31Å; Y325-Q327 PolarHBondContact O-N 3.21Å; Q327-L329 PolarHBondContact O-N 3.41Å; Q327-N330 PolarHBondContact O-N 3Å; Q327-L331 HydrophobicContact CG-CD1 4Å; Q327-L331 HydrophobicContact CG-CG 4.45Å; Q327-L331 WeakPolarHBondContact O-CB 3.34Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.29Å
328I91Very high89.1Confident18 Ų1867.5 Ų67.59%0.09237%0.37CS..Hα-helixtrans-62.1-44.3178-67.5166.2000111.3L324 Y325 L331 Y332 A380 R381 A384 L386L324-I328 WeakPolarHBondContact O-CG1 3.3Å; L324-I328 PolarHBondContact O-N 3.2Å; Y325-I328 HydrophobicContact CD1-CD1 4.36Å; Y325-I328 PolarHBondContact O-N 3.36Å; I328-L331 PolarHBondContact O-N 3.11Å; I328-Y332 WeakPolarHBondContact O-CB 3.47Å; I328-Y332 PolarHBondContact O-N 3.06Å; I328-A380 HydrophobicContact CD1-CB 4.33Å; I328-A380 HydrophobicContact CG1-CB 3.72Å; I328-R381 HydrophobicContact CD1-CG 4.15Å; I328-R381 HydrophobicContact CG1-CG 4.43Å; I328-R381 HydrophobicContact CG2-CG 4.28Å; I328-A384 HydrophobicContact CD1-CB 3.91Å; I328-L386 HydrophobicContact CD1-CD1 4.01Å
329L90.6Very high90.3Very high87 Ų8765.4 Ų65.446%0.45536%0.357SS..Hα-helixtrans-60.3-48.3178.7-179.663.6000111.5P320 Y325 K326 Q327 L331 Y332 A333P320-L329 HydrophobicContact CG-CB 4.32Å; P320-L329 HydrophobicContact CG-CD2 3.74Å; Y325-L329 WeakPolarHBondContact O-CB 3.49Å; Y325-L329 PolarHBondContact O-N 2.87Å; K326-L329 PolarHBondContact O-N 3.06Å; Q327-L329 PolarHBondContact O-N 3.41Å; L329-L331 PolarHBondContact O-N 3.24Å; L329-Y332 PolarHBondContact O-N 3.28Å; L329-A333 WeakPolarHBondContact O-CB 3.46Å; L329-A333 PolarHBondContact O-N 3.15Å
330N91.1Very high91.2Very high89 Ų8966.9 Ų66.948%0.47636%0.363SS..Hα-helixtrans-63.6-42179.5-71.7-2000112.1K326 Q327 Y332 A333 E334K326-N330 PolarHBondContact O-N 3.42Å; Q327-N330 PolarHBondContact O-N 3Å; N330-Y332 VanDerWaalsContact C-N 3.31Å; N330-Y332 PolarHBondContact O-N 3.1Å; N330-A333 PolarHBondContact O-N 2.78Å; N330-E334 WeakPolarHBondContact O-CB 3.36Å; N330-E334 PolarHBondContact O-N 2.92Å
331L93.5Very high91.8Very high13 Ų1368.1 Ų68.17%0.06837%0.37CS..Hα-helixtrans-62.3-40.1176.8-69.2169.8000111.7Q327 I328 L329 E335 L373 L376 M377Q327-L331 HydrophobicContact CG-CD1 4Å; Q327-L331 HydrophobicContact CG-CG 4.45Å; Q327-L331 WeakPolarHBondContact O-CB 3.34Å; Q327-L331 WeakPolarHBondContact O-CG 3.37Å; Q327-L331 PolarHBondContact O-N 3.29Å; I328-L331 PolarHBondContact O-N 3.11Å; L329-L331 PolarHBondContact O-N 3.24Å; L331-E335 VanDerWaalsContact O-CB 3.3Å; L331-E335 WeakPolarHBondContact O-CB 3.43Å; L331-E335 PolarHBondContact O-N 3.24Å; L331-E335 VanDerWaalsContact O-N 3.09Å; L331-L373 HydrophobicContact CD2-CD2 3.5Å; L331-L373 VanDerWaalsContact CD2-CD2 3.5Å; L331-L376 HydrophobicContact CD1-CB 4.29Å; L331-L376 HydrophobicContact CD1-CD2 4.15Å; L331-L376 HydrophobicContact CD1-CG 3.81Å; L331-L376 HydrophobicContact CD2-CB 4.44Å; L331-L376 HydrophobicContact CD2-CD2 3.73Å; L331-L376 HydrophobicContact CD2-CG 4.19Å; L331-M377 HydrophobicContact CB-CB 4.3Å; L331-M377 HydrophobicContact CD1-CB 4.34Å
332Y91.4Very high92.3Very high118 Ų11862.9 Ų62.946%0.46334%0.336SS..Hα-helixtrans-67.8-45.5177-175.8-104.7000111.7I328 L329 N330 E334 E335 N336 M377I328-Y332 WeakPolarHBondContact O-CB 3.47Å; I328-Y332 PolarHBondContact O-N 3.06Å; L329-Y332 PolarHBondContact O-N 3.28Å; N330-Y332 VanDerWaalsContact C-N 3.31Å; N330-Y332 PolarHBondContact O-N 3.1Å; Y332-E334 PolarHBondContact O-N 3.24Å; Y332-E335 PolarHBondContact O-N 2.88Å; Y332-N336 WeakPolarHBondContact CD1-ND2 3.36Å; Y332-N336 WeakPolarHBondContact CE1-ND2 3.44Å; Y332-N336 VanDerWaalsContact CZ-ND2 3.27Å; Y332-N336 PolarHBondContact O-N 2.92Å; Y332-N336 VanDerWaalsContact O-N 3.1Å; Y332-N336 PolarHBondContact O-ND2 2.97Å; Y332-M377 HydrophobicContact CD2-SD 4.07Å
333A92.1Very high92.8Very high56 Ų5666.8 Ų66.846%0.46335%0.347SS..Hα-helixtrans-60.8-44.4177.500000111.9L329 N330 E335 N336 A337L329-A333 WeakPolarHBondContact O-CB 3.46Å; L329-A333 PolarHBondContact O-N 3.15Å; N330-A333 PolarHBondContact O-N 2.78Å; A333-E335 VanDerWaalsContact C-N 3.31Å; A333-E335 PolarHBondContact O-N 3.25Å; A333-N336 PolarHBondContact O-N 3.14Å; A333-A337 WeakPolarHBondContact O-CB 3.36Å; A333-A337 PolarHBondContact O-N 3.2Å
334E94.2Very high93.1Very high73 Ų7368.3 Ų68.334%0.34134%0.339SS..Hα-helixtrans-66.3-34178.7-166.6175.5-173.700112.4N330 Y332 A337 I338 K369 L373N330-E334 WeakPolarHBondContact O-CB 3.36Å; N330-E334 PolarHBondContact O-N 2.92Å; Y332-E334 PolarHBondContact O-N 3.24Å; E334-A337 PolarHBondContact O-N 2.95Å; E334-I338 WeakPolarHBondContact O-CG1 3.24Å; E334-I338 PolarHBondContact O-N 2.97Å; E334-I338 VanDerWaalsContact O-N 3.14Å; E334-K369 WeakPolarHBondContact OE1-CE 3.5Å; E334-K369 IonicContact OE1-NZ 2.62Å; E334-K369 PolarHBondContact OE1-NZ 3.3Å; E334-L373 HydrophobicContact CB-CD1 4.03Å; E334-L373 HydrophobicContact CG-CD1 3.7Å; E334-L373 HydrophobicContact CG-CD2 4.46Å; E334-L373 WeakPolarHBondContact OE2-CD2 3.5Å
335E94.8Very high93.4Very high10 Ų1067.7 Ų67.75%0.04734%0.336CS..Hα-helixtrans-67.7-45.9177-163.2-81.4156.600112L331 Y332 A333 A337 I338 E339 Q370 R374L331-E335 VanDerWaalsContact O-CB 3.3Å; L331-E335 WeakPolarHBondContact O-CB 3.43Å; L331-E335 PolarHBondContact O-N 3.24Å; L331-E335 VanDerWaalsContact O-N 3.09Å; Y332-E335 PolarHBondContact O-N 2.88Å; A333-E335 VanDerWaalsContact C-N 3.31Å; A333-E335 PolarHBondContact O-N 3.25Å; E335-A337 VanDerWaalsContact C-N 3.34Å; E335-A337 PolarHBondContact O-N 3.04Å; E335-I338 WeakPolarHBondContact O-CB 3.34Å; E335-I338 PolarHBondContact O-N 2.89Å; E335-I338 VanDerWaalsContact O-N 3.17Å; E335-E339 PolarHBondContact O-N 3.24Å; E335-Q370 HydrophobicContact CG-CG 4.04Å; E335-Q370 WeakPolarHBondContact OE1-CG 3.29Å; E335-Q370 PolarHBondContact OE1-NE2 2.9Å; E335-R374 HydrophobicContact CG-CG 4Å; E335-R374 IonicContact OE1-CZ 2.78Å; E335-R374 IonicContact OE1-NE 2.87Å; E335-R374 PolarHBondContact OE1-NE 2.92Å; E335-R374 IonicContact OE1-NH2 3.95Å; E335-R374 PolarHBondContact OE1-NH2 3.37Å
336N93.4Very high93.6Very high50 Ų5063.8 Ų63.827%0.26733%0.326SS..Hα-helixtrans-62.3-40.7174.2-72.5-78.7000111.7Y332 A333 I338 E339 D340Y332-N336 WeakPolarHBondContact CD1-ND2 3.36Å; Y332-N336 WeakPolarHBondContact CE1-ND2 3.44Å; Y332-N336 VanDerWaalsContact CZ-ND2 3.27Å; Y332-N336 PolarHBondContact O-N 2.92Å; Y332-N336 VanDerWaalsContact O-N 3.1Å; Y332-N336 PolarHBondContact O-ND2 2.97Å; A333-N336 PolarHBondContact O-N 3.14Å; N336-I338 PolarHBondContact O-N 3.18Å; N336-E339 WeakPolarHBondContact O-CB 3.34Å; N336-E339 PolarHBondContact O-N 3.18Å; N336-E339 VanDerWaalsContact O-N 3.07Å; N336-D340 PolarHBondContact O-N 3.48Å
337A95.8Very high93.8Very high50 Ų5062.2 Ų62.241%0.41332%0.32SS..Hα-helixtrans-61.3-33176.800000112.5A333 E334 E335 T341A333-A337 WeakPolarHBondContact O-CB 3.36Å; A333-A337 PolarHBondContact O-N 3.2Å; E334-A337 PolarHBondContact O-N 2.95Å; E335-A337 VanDerWaalsContact C-N 3.34Å; E335-A337 PolarHBondContact O-N 3.04Å; A337-T341 WeakPolarHBondContact O-CB 3.48Å; A337-T341 PolarHBondContact O-N 3.33Å; A337-T341 PolarHBondContact O-OG1 3.44Å
338I95.8Very high94Very high6 Ų659.2 Ų59.23%0.03131%0.309CS..Hα-helixtrans-68.6-41.8173.5-70.6171.8000111.2E334 E335 N336 D340 T341 I342 L366 K369 Q370 L373E334-I338 WeakPolarHBondContact O-CG1 3.24Å; E334-I338 PolarHBondContact O-N 2.97Å; E334-I338 VanDerWaalsContact O-N 3.14Å; E335-I338 WeakPolarHBondContact O-CB 3.34Å; E335-I338 PolarHBondContact O-N 2.89Å; E335-I338 VanDerWaalsContact O-N 3.17Å; N336-I338 PolarHBondContact O-N 3.18Å; I338-D340 PolarHBondContact O-N 3.44Å; I338-T341 PolarHBondContact O-N 2.94Å; I338-I342 HydrophobicContact CG2-CD1 3.82Å; I338-I342 HydrophobicContact CG2-CG1 4.31Å; I338-I342 WeakPolarHBondContact O-CG1 3.47Å; I338-I342 PolarHBondContact O-N 2.96Å; I338-L366 HydrophobicContact CG1-CD2 4.24Å; I338-L366 HydrophobicContact CG2-CB 3.93Å; I338-L366 HydrophobicContact CG2-CD2 4.28Å; I338-K369 HydrophobicContact CD1-CB 4.01Å; I338-K369 HydrophobicContact CD1-CD 3.84Å; I338-K369 HydrophobicContact CD1-CG 3.79Å; I338-Q370 HydrophobicContact CD1-CB 4.48Å; I338-Q370 HydrophobicContact CG2-CB 4.1Å; I338-L373 HydrophobicContact CD1-CD1 3.5Å
339E94.3Very high94.1Very high83 Ų8360.8 Ų60.839%0.38832%0.318SS..Hα-helixtrans-59.4-46.8176.8-68.9-16416000111.4E335 N336 T341 I342 F343 Q370 R374E335-E339 PolarHBondContact O-N 3.24Å; N336-E339 WeakPolarHBondContact O-CB 3.34Å; N336-E339 PolarHBondContact O-N 3.18Å; N336-E339 VanDerWaalsContact O-N 3.07Å; E339-T341 VanDerWaalsContact C-N 3.33Å; E339-T341 PolarHBondContact O-N 3.44Å; E339-I342 PolarHBondContact O-N 2.98Å; E339-F343 PolarHBondContact O-N 3.35Å; E339-Q370 PolarHBondContact OE1-NE2 3.48Å; E339-R374 IonicContact OE1-NH2 3.19Å; E339-R374 PolarHBondContact OE1-NH2 2.82Å
340D96.4Very high94.3Very high97 Ų9765.5 Ų65.552%0.51933%0.33SS..Hα-helixtrans-60.6-43.3175.1-72.7-20000111.6N336 I338 I342 F343 Y344N336-D340 PolarHBondContact O-N 3.48Å; I338-D340 PolarHBondContact O-N 3.44Å; D340-I342 VanDerWaalsContact C-N 3.35Å; D340-I342 PolarHBondContact O-N 2.87Å; D340-F343 WeakPolarHBondContact O-CB 3.43Å; D340-F343 PolarHBondContact O-N 2.98Å; D340-Y344 WeakPolarHBondContact O-CD2 3.37Å; D340-Y344 PolarHBondContact O-N 2.81Å
341T95.7Very high94.4Very high65 Ų6569.9 Ų69.940%0.39934%0.339SS..Hα-helixtrans-61.8-43.4178-57.50000111.4A337 I338 E339 F343 Y344 L345 L366A337-T341 WeakPolarHBondContact O-CB 3.48Å; A337-T341 PolarHBondContact O-N 3.33Å; A337-T341 PolarHBondContact O-OG1 3.44Å; I338-T341 PolarHBondContact O-N 2.94Å; E339-T341 VanDerWaalsContact C-N 3.33Å; E339-T341 PolarHBondContact O-N 3.44Å; T341-F343 VanDerWaalsContact C-N 3.32Å; T341-F343 PolarHBondContact O-N 3.39Å; T341-Y344 PolarHBondContact O-N 3.39Å; T341-L345 HydrophobicContact CG2-CD1 4.09Å; T341-L345 HydrophobicContact CG2-CG 4.42Å; T341-L345 WeakPolarHBondContact O-CB 3.4Å; T341-L345 VanDerWaalsContact O-CG 3.22Å; T341-L345 WeakPolarHBondContact O-CG 3.36Å; T341-L345 PolarHBondContact O-N 2.99Å; T341-L366 HydrophobicContact CG2-CD1 3.64Å
342I94.6Very high94.4Very high40 Ų4072.3 Ų72.321%0.20537%0.367CS..Hα-helixtrans-63.8-40.8176.7-69.2170.8000110.5I338 E339 D340 L345 G346 V363 L366I338-I342 HydrophobicContact CG2-CD1 3.82Å; I338-I342 HydrophobicContact CG2-CG1 4.31Å; I338-I342 WeakPolarHBondContact O-CG1 3.47Å; I338-I342 PolarHBondContact O-N 2.96Å; E339-I342 PolarHBondContact O-N 2.98Å; D340-I342 VanDerWaalsContact C-N 3.35Å; D340-I342 PolarHBondContact O-N 2.87Å; I342-L345 PolarHBondContact O-N 3.08Å; I342-G346 PolarHBondContact O-N 2.87Å; I342-V363 HydrophobicContact CG2-CG2 4.47Å; I342-L366 HydrophobicContact CD1-CB 4.06Å; I342-L366 HydrophobicContact CG1-CB 4.02Å; I342-L366 HydrophobicContact CG1-CD1 3.92Å
343F95.6Very high94.6Very high114 Ų11472 Ų7250%0.538%0.377SS..Hα-helixtrans-58.5-51.5176.5176.3-91.1000111.7E339 D340 T341 L345 G346 E347E339-F343 PolarHBondContact O-N 3.35Å; D340-F343 WeakPolarHBondContact O-CB 3.43Å; D340-F343 PolarHBondContact O-N 2.98Å; T341-F343 VanDerWaalsContact C-N 3.32Å; T341-F343 PolarHBondContact O-N 3.39Å; F343-L345 PolarHBondContact O-N 3.43Å; F343-G346 PolarHBondContact O-N 3.12Å; F343-G346 VanDerWaalsContact O-N 3.12Å; F343-E347 PolarHBondContact O-N 2.88Å
344Y96Very high94.7Very high151 Ų15171 Ų7159%0.59236%0.364SS*.Hα-helixtrans-69.1-32.5179.8-74.7-65.5000113.1D340 T341 G346 E347 A348D340-Y344 WeakPolarHBondContact O-CD2 3.37Å; D340-Y344 PolarHBondContact O-N 2.81Å; T341-Y344 PolarHBondContact O-N 3.39Å; Y344-G346 VanDerWaalsContact C-N 3.3Å; Y344-G346 PolarHBondContact O-N 3.34Å; Y344-E347 PolarHBondContact O-N 3.21Å; Y344-A348 WeakPolarHBondContact O-CB 3.48Å; Y344-A348 PolarHBondContact O-N 2.86Å
345L94.9Very high94.7Very high35 Ų3573.3 Ų73.318%0.18338%0.379CS..Hα-helixtrans-61.3-40.2169.7-76.7172.1000111.3T341 I342 F343 E347 A348 L349 I354 F359 H362 L366T341-L345 HydrophobicContact CG2-CD1 4.09Å; T341-L345 HydrophobicContact CG2-CG 4.42Å; T341-L345 WeakPolarHBondContact O-CB 3.4Å; T341-L345 VanDerWaalsContact O-CG 3.22Å; T341-L345 WeakPolarHBondContact O-CG 3.36Å; T341-L345 PolarHBondContact O-N 2.99Å; I342-L345 PolarHBondContact O-N 3.08Å; F343-L345 PolarHBondContact O-N 3.43Å; L345-E347 VanDerWaalsContact C-N 3.31Å; L345-E347 PolarHBondContact O-N 3.02Å; L345-A348 PolarHBondContact O-N 2.68Å; L345-L349 PolarHBondContact O-N 3.36Å; L345-I354 HydrophobicContact CD2-CD1 4.02Å; L345-I354 WeakPolarHBondContact O-CD1 3.44Å; L345-F359 HydrophobicContact CB-CD2 4.02Å; L345-F359 HydrophobicContact CB-CE2 4.07Å; L345-H362 HydrophobicContact CD1-CB 3.96Å; L345-L366 HydrophobicContact CD1-CD1 3.54Å
346G93.6Very high94.6Very high18 Ų1877.9 Ų77.919%0.18640%0.403CS..Hα-helixtrans-64.7-35.8174.700000112.5I342 F343 Y344 R350I342-G346 PolarHBondContact O-N 2.87Å; F343-G346 PolarHBondContact O-N 3.12Å; F343-G346 VanDerWaalsContact O-N 3.12Å; Y344-G346 VanDerWaalsContact C-N 3.3Å; Y344-G346 PolarHBondContact O-N 3.34Å; G346-R350 PolarHBondContact O-N 3.11Å
347E94.2Very high94.7Very high48 Ų4883.4 Ų83.422%0.22443%0.427CS..Hα-helixtrans-69.8-41.4173.9-159.4-178165.100113F343 Y344 L345 L349 R350 R351F343-E347 PolarHBondContact O-N 2.88Å; Y344-E347 PolarHBondContact O-N 3.21Å; L345-E347 VanDerWaalsContact C-N 3.31Å; L345-E347 PolarHBondContact O-N 3.02Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.37Å; E347-R350 PolarHBondContact O-N 3.45Å; E347-R350 VanDerWaalsContact O-N 3.17Å; E347-R351 WeakPolarHBondContact O-CG 3.38Å; E347-R351 PolarHBondContact O-N 3.31Å; E347-R351 IonicContact OE1-CZ 3.23Å; E347-R351 VanDerWaalsContact OE1-CZ 3.23Å; E347-R351 IonicContact OE1-NE 3.01Å; E347-R351 PolarHBondContact OE1-NE 3Å; E347-R351 IonicContact OE1-NH2 2.67Å; E347-R351 PolarHBondContact OE1-NH2 3.28Å
348A94.3Very high94.6Very high22 Ų2284 Ų8418%0.18243%0.426CS..Hα-helixtrans-60.4-39.3175.900000112Y344 L345 R351 G352 V353 I354Y344-A348 WeakPolarHBondContact O-CB 3.48Å; Y344-A348 PolarHBondContact O-N 2.86Å; L345-A348 PolarHBondContact O-N 2.68Å; A348-R351 PolarHBondContact O-N 2.92Å; A348-G352 PolarHBondContact O-N 2.85Å; A348-V353 HydrophobicContact CB-CB 4.39Å; A348-V353 PolarHBondContact O-N 3.34Å; A348-I354 HydrophobicContact CB-CD1 3.91Å; A348-I354 HydrophobicContact CB-CG1 3.92Å; A348-I354 HydrophobicContact CB-CG2 4.37Å
349L94.3Very high94.5Very high52 Ų5285.5 Ų85.527%0.27243%0.432SS..Hα-helixtrans-63.3-45.1174-179.566.8000111.4L345 E347 R351 G352 I354 L356 F359L345-L349 PolarHBondContact O-N 3.36Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.37Å; L349-R351 VanDerWaalsContact C-N 3.26Å; L349-R351 PolarHBondContact O-N 2.94Å; L349-G352 PolarHBondContact O-N 2.93Å; L349-G352 VanDerWaalsContact O-N 3.08Å; L349-I354 HydrophobicContact CB-CD1 4.38Å; L349-I354 HydrophobicContact CB-CG1 4.13Å; L349-I354 WeakPolarHBondContact CD1-O 3.36Å; L349-L356 HydrophobicContact CD1-CB 4.38Å; L349-L356 HydrophobicContact CD2-CD1 4.09Å; L349-F359 HydrophobicContact CB-CD2 4.27Å; L349-F359 HydrophobicContact CB-CG 4.37Å; L349-F359 HydrophobicContact CD1-CB 4.31Å; L349-F359 HydrophobicContact CD2-CB 4.26Å; L349-F359 HydrophobicContact CD2-CD1 3.67Å; L349-F359 HydrophobicContact CD2-CD2 4.3Å; L349-F359 HydrophobicContact CD2-CE1 4.02Å; L349-F359 HydrophobicContact CD2-CG 3.81Å; L349-F359 HydrophobicContact CD2-CZ 4.48Å
350R93.7Very high94.6Very high186 Ų18686.2 Ų86.270%0.70244%0.438SS*.Hα-helixtrans-62.1-33.4177.7-76.6-175.2-69.1-142.7-1.7113.1G346 E347 G352G346-R350 PolarHBondContact O-N 3.11Å; E347-R350 PolarHBondContact O-N 3.45Å; E347-R350 VanDerWaalsContact O-N 3.17Å; R350-G352 VanDerWaalsContact C-N 3.29Å
351R94.9Very high94.5Very high181 Ų18189 Ų8968%0.68345%0.445SS*.THydrogen-bonded Turntrans-83.4-2.2177.5-66.6176.5-178.8-123.66.3113.2E347 A348 L349 V353E347-R351 WeakPolarHBondContact O-CG 3.38Å; E347-R351 PolarHBondContact O-N 3.31Å; E347-R351 IonicContact OE1-CZ 3.23Å; E347-R351 VanDerWaalsContact OE1-CZ 3.23Å; E347-R351 IonicContact OE1-NE 3.01Å; E347-R351 PolarHBondContact OE1-NE 3Å; E347-R351 IonicContact OE1-NH2 2.67Å; E347-R351 PolarHBondContact OE1-NH2 3.28Å; A348-R351 PolarHBondContact O-N 2.92Å; L349-R351 VanDerWaalsContact C-N 3.26Å; L349-R351 PolarHBondContact O-N 2.94Å; R351-V353 VanDerWaalsContact C-N 3.27Å; R351-V353 HydrophobicContact CB-CG2 4.02Å; R351-V353 PolarHBondContact O-N 3.09Å
352G92.9Very high94.5Very high63 Ų6389.9 Ų89.965%0.64945%0.445SS*.THydrogen-bonded Turntrans7019.4-179.200000114.4A348 L349 R350A348-G352 PolarHBondContact O-N 2.85Å; L349-G352 PolarHBondContact O-N 2.93Å; L349-G352 VanDerWaalsContact O-N 3.08Å; R350-G352 VanDerWaalsContact C-N 3.29Å
353V94.8Very high94.6Very high111 Ų11189.4 Ų89.467%0.67344%0.443SS*.SBendtrans-78.2-29.5178.8-179.30000111.1A348 R351A348-V353 HydrophobicContact CB-CB 4.39Å; A348-V353 PolarHBondContact O-N 3.34Å; R351-V353 VanDerWaalsContact C-N 3.27Å; R351-V353 HydrophobicContact CB-CG2 4.02Å; R351-V353 PolarHBondContact O-N 3.09Å
354I94.5Very high94.6Very high36 Ų3691.8 Ų91.819%0.18545%0.449CS..SBendtrans-128147.2178.463.1174000111L345 A348 L349 F359L345-I354 HydrophobicContact CD2-CD1 4.02Å; L345-I354 WeakPolarHBondContact O-CD1 3.44Å; A348-I354 HydrophobicContact CB-CD1 3.91Å; A348-I354 HydrophobicContact CB-CG1 3.92Å; A348-I354 HydrophobicContact CB-CG2 4.37Å; L349-I354 HydrophobicContact CB-CD1 4.38Å; L349-I354 HydrophobicContact CB-CG1 4.13Å; L349-I354 WeakPolarHBondContact CD1-O 3.36Å; I354-F359 HydrophobicContact CD1-CB 3.95Å; I354-F359 HydrophobicContact CD1-CD2 4.17Å
355D94.3Very high94.6Very high122 Ų12289.5 Ų89.565%0.65245%0.447SS*.  trans-77.1155.3175.6-65.8-40.5000112.2E357 V358 F359D355-E357 PolarHBondContact O-N 3.27Å; D355-V358 HydrophobicContact CB-CG2 4.39Å; D355-V358 PolarHBondContact O-N 2.93Å; D355-V358 VanDerWaalsContact O-N 3.15Å; D355-F359 PolarHBondContact O-N 3.32Å
356L93.4Very high94.6Very high105 Ų10589 Ų8955%0.5544%0.444SS..Hα-helixtrans-56.6-38.9179.8179.462.5000112.5L349 F359 L360L349-L356 HydrophobicContact CD1-CB 4.38Å; L349-L356 HydrophobicContact CD2-CD1 4.09Å; L356-F359 HydrophobicContact CD1-CD1 4.4Å; L356-F359 PolarHBondContact O-N 2.93Å; L356-L360 HydrophobicContact CD1-CD1 4.17Å; L356-L360 HydrophobicContact CD1-CG 4.11Å; L356-L360 HydrophobicContact CG-CD1 4.05Å; L356-L360 HydrophobicContact CG-CG 4.39Å; L356-L360 WeakPolarHBondContact O-CB 3.27Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 2.96Å
357E93.9Very high94.7Very high166 Ų16690.5 Ų90.578%0.77645%0.452SS*.Hα-helixtrans-65.1-42.5-180-169.5177.5176.900111.8D355 L360 K361D355-E357 PolarHBondContact O-N 3.27Å; E357-L360 PolarHBondContact O-N 2.96Å; E357-K361 WeakPolarHBondContact O-CB 3.27Å; E357-K361 PolarHBondContact O-N 3.17Å
358V93.8Very high94.8Very high64 Ų6495.5 Ų95.539%0.38847%0.468SS..Hα-helixtrans-64.5-46176.8178.30000110D355 K361 H362D355-V358 HydrophobicContact CB-CG2 4.39Å; D355-V358 PolarHBondContact O-N 2.93Å; D355-V358 VanDerWaalsContact O-N 3.15Å; V358-K361 PolarHBondContact O-N 2.92Å; V358-H362 PolarHBondContact O-CD2 2.87Å; V358-H362 VanDerWaalsContact O-CD2 3.23Å; V358-H362 PolarHBondContact O-N 3.33Å; V358-H362 VanDerWaalsContact O-N 3.08Å
359F94.8Very high94.9Very high37 Ų3798.3 Ų98.316%0.16248%0.477CS..Hα-helixtrans-56.5-52.9175.6172.5-101.7000112.2L345 L349 I354 D355 L356 K361 H362 V363L345-F359 HydrophobicContact CB-CD2 4.02Å; L345-F359 HydrophobicContact CB-CE2 4.07Å; L349-F359 HydrophobicContact CB-CD2 4.27Å; L349-F359 HydrophobicContact CB-CG 4.37Å; L349-F359 HydrophobicContact CD1-CB 4.31Å; L349-F359 HydrophobicContact CD2-CB 4.26Å; L349-F359 HydrophobicContact CD2-CD1 3.67Å; L349-F359 HydrophobicContact CD2-CD2 4.3Å; L349-F359 HydrophobicContact CD2-CE1 4.02Å; L349-F359 HydrophobicContact CD2-CG 3.81Å; L349-F359 HydrophobicContact CD2-CZ 4.48Å; I354-F359 HydrophobicContact CD1-CB 3.95Å; I354-F359 HydrophobicContact CD1-CD2 4.17Å; D355-F359 PolarHBondContact O-N 3.32Å; L356-F359 HydrophobicContact CD1-CD1 4.4Å; L356-F359 PolarHBondContact O-N 2.93Å; F359-K361 VanDerWaalsContact C-N 3.29Å; F359-K361 PolarHBondContact O-N 3.35Å; F359-H362 PolarHBondContact O-N 3.5Å; F359-V363 HydrophobicContact CD1-CG2 4.38Å; F359-V363 HydrophobicContact CD2-CG2 3.83Å; F359-V363 HydrophobicContact CE1-CG2 4.04Å; F359-V363 HydrophobicContact CE2-CG2 3.42Å; F359-V363 VanDerWaalsContact CE2-CG2 3.42Å; F359-V363 HydrophobicContact CG-CG2 4.3Å; F359-V363 HydrophobicContact CZ-CG2 3.55Å; F359-V363 WeakPolarHBondContact O-CB 3.32Å; F359-V363 WeakPolarHBondContact O-CG2 3.43Å; F359-V363 PolarHBondContact O-N 3.17Å
360L95Very high94.9Very high98 Ų9897.2 Ų97.251%0.51347%0.47SS..Hα-helixtrans-61.9-37.4-178.1-72.3175.5000112.4L356 E357 R364L356-L360 HydrophobicContact CD1-CD1 4.17Å; L356-L360 HydrophobicContact CD1-CG 4.11Å; L356-L360 HydrophobicContact CG-CD1 4.05Å; L356-L360 HydrophobicContact CG-CG 4.39Å; L356-L360 WeakPolarHBondContact O-CB 3.27Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 2.96Å; E357-L360 PolarHBondContact O-N 2.96Å; L360-R364 VanDerWaalsContact O-CB 3.22Å; L360-R364 WeakPolarHBondContact O-CB 3.35Å; L360-R364 PolarHBondContact O-N 3.46Å
361K95.9Very high94.9Very high154 Ų15495.7 Ų95.767%0.6747%0.469SS*.Hα-helixtrans-62.8-48.8176.1-175.8-179.7177.9-177.90111.5E357 V358 F359 L365E357-K361 WeakPolarHBondContact O-CB 3.27Å; E357-K361 PolarHBondContact O-N 3.17Å; V358-K361 PolarHBondContact O-N 2.92Å; F359-K361 VanDerWaalsContact C-N 3.29Å; F359-K361 PolarHBondContact O-N 3.35Å; K361-L365 PolarHBondContact O-N 2.72Å; K361-L365 VanDerWaalsContact O-N 3.14Å
362H95.3Very high94.9Very high84 Ų8493.4 Ų93.439%0.38947%0.466SS..Hα-helixtrans-71.2-42.3-178.1-78.2-71.6000112.7L345 V358 F359 R364 L365 L366L345-H362 HydrophobicContact CD1-CB 3.96Å; V358-H362 PolarHBondContact O-CD2 2.87Å; V358-H362 VanDerWaalsContact O-CD2 3.23Å; V358-H362 PolarHBondContact O-N 3.33Å; V358-H362 VanDerWaalsContact O-N 3.08Å; F359-H362 PolarHBondContact O-N 3.5Å; H362-R364 VanDerWaalsContact C-N 3.34Å; H362-R364 PolarHBondContact O-N 3.06Å; H362-L365 PolarHBondContact O-N 3.44Å; H362-L366 WeakPolarHBondContact O-CB 3.27Å; H362-L366 VanDerWaalsContact O-CG 3.31Å; H362-L366 WeakPolarHBondContact O-CG 3.29Å; H362-L366 PolarHBondContact O-N 2.9Å
363V95.8Very high95Very high30 Ų3091 Ų9118%0.18244%0.438CS..Hα-helixtrans-59.9-45.6174.91720000110.6I342 F359 L365 L366 S367I342-V363 HydrophobicContact CG2-CG2 4.47Å; F359-V363 HydrophobicContact CD1-CG2 4.38Å; F359-V363 HydrophobicContact CD2-CG2 3.83Å; F359-V363 HydrophobicContact CE1-CG2 4.04Å; F359-V363 HydrophobicContact CE2-CG2 3.42Å; F359-V363 VanDerWaalsContact CE2-CG2 3.42Å; F359-V363 HydrophobicContact CG-CG2 4.3Å; F359-V363 HydrophobicContact CZ-CG2 3.55Å; F359-V363 WeakPolarHBondContact O-CB 3.32Å; F359-V363 WeakPolarHBondContact O-CG2 3.43Å; F359-V363 PolarHBondContact O-N 3.17Å; V363-L365 VanDerWaalsContact C-N 3.29Å; V363-L365 PolarHBondContact O-N 3.38Å; V363-L366 PolarHBondContact O-N 3.44Å; V363-S367 WeakPolarHBondContact O-CB 3.43Å; V363-S367 PolarHBondContact O-N 3.37Å; V363-S367 PolarHBondContact O-OG 2.93Å
364R95.8Very high94.9Very high164 Ų16489.6 Ų89.662%0.61942%0.421SS*.Hα-helixtrans-60.8-38.5177.6-174.1177.5-177.1136.90.4112.7L360 H362 R368L360-R364 VanDerWaalsContact O-CB 3.22Å; L360-R364 WeakPolarHBondContact O-CB 3.35Å; L360-R364 PolarHBondContact O-N 3.46Å; H362-R364 VanDerWaalsContact C-N 3.34Å; H362-R364 PolarHBondContact O-N 3.06Å; R364-R368 VanDerWaalsContact O-CG 3.32Å; R364-R368 WeakPolarHBondContact O-CG 3.37Å; R364-R368 PolarHBondContact O-N 3.27Å
365L96.3Very high94.9Very high104 Ų10490 Ų9055%0.54543%0.429SS..Hα-helixtrans-68.5-46.3177.7-170.8149.8000111.1K361 H362 V363 R368 K369K361-L365 PolarHBondContact O-N 2.72Å; K361-L365 VanDerWaalsContact O-N 3.14Å; H362-L365 PolarHBondContact O-N 3.44Å; V363-L365 VanDerWaalsContact C-N 3.29Å; V363-L365 PolarHBondContact O-N 3.38Å; L365-R368 PolarHBondContact O-N 3.47Å; L365-K369 PolarHBondContact O-N 3.43Å; L365-K369 VanDerWaalsContact O-N 3.1Å
366L96.1Very high94.8Very high24 Ų2487.7 Ų87.713%0.12642%0.417CS..Hα-helixtrans-64.8-43.5178.6-73.2173000112.2I338 T341 I342 L345 H362 V363 R368 K369 Q370I338-L366 HydrophobicContact CG1-CD2 4.24Å; I338-L366 HydrophobicContact CG2-CB 3.93Å; I338-L366 HydrophobicContact CG2-CD2 4.28Å; T341-L366 HydrophobicContact CG2-CD1 3.64Å; I342-L366 HydrophobicContact CD1-CB 4.06Å; I342-L366 HydrophobicContact CG1-CB 4.02Å; I342-L366 HydrophobicContact CG1-CD1 3.92Å; L345-L366 HydrophobicContact CD1-CD1 3.54Å; H362-L366 WeakPolarHBondContact O-CB 3.27Å; H362-L366 VanDerWaalsContact O-CG 3.31Å; H362-L366 WeakPolarHBondContact O-CG 3.29Å; H362-L366 PolarHBondContact O-N 2.9Å; V363-L366 PolarHBondContact O-N 3.44Å; L366-R368 VanDerWaalsContact C-N 3.31Å; L366-R368 PolarHBondContact O-N 2.94Å; L366-K369 CarbonylContact O-C 3.6Å; L366-K369 WeakPolarHBondContact O-CB 3.42Å; L366-K369 PolarHBondContact O-N 3.21Å; L366-K369 VanDerWaalsContact O-N 3.12Å; L366-Q370 WeakPolarHBondContact O-CB 3.23Å; L366-Q370 PolarHBondContact O-N 2.98Å
367S94.9Very high94.8Very high49 Ų4983.2 Ų83.234%0.34339%0.393SS..Hα-helixtrans-63-35.2176-58.60000112.7V363 F371V363-S367 WeakPolarHBondContact O-CB 3.43Å; V363-S367 PolarHBondContact O-N 3.37Å; V363-S367 PolarHBondContact O-OG 2.93Å; S367-F371 WeakPolarHBondContact O-CB 3.49Å; S367-F371 PolarHBondContact O-N 2.96Å
368R96Very high94.7Very high153 Ų15379.3 Ų79.358%0.57738%0.375SS*.Hα-helixtrans-64.8-42.5172.7-77.1172.8174.5-174.7-4.4111.6R364 L365 L366 F371 Q372R364-R368 VanDerWaalsContact O-CG 3.32Å; R364-R368 WeakPolarHBondContact O-CG 3.37Å; R364-R368 PolarHBondContact O-N 3.27Å; L365-R368 PolarHBondContact O-N 3.47Å; L366-R368 VanDerWaalsContact C-N 3.31Å; L366-R368 PolarHBondContact O-N 2.94Å; R368-F371 PolarHBondContact O-N 3.22Å; R368-Q372 WeakPolarHBondContact O-CG 3.33Å; R368-Q372 PolarHBondContact O-N 3.48Å; R368-Q372 VanDerWaalsContact O-N 3.14Å
369K95.6Very high94.6Very high81 Ų8183.4 Ų83.435%0.35239%0.387SS..Hα-helixtrans-65.1-44.7176.7-170.2179178.6-169.10111E334 I338 L365 L366 F371 Q372 L373E334-K369 WeakPolarHBondContact OE1-CE 3.5Å; E334-K369 IonicContact OE1-NZ 2.62Å; E334-K369 PolarHBondContact OE1-NZ 3.3Å; I338-K369 HydrophobicContact CD1-CB 4.01Å; I338-K369 HydrophobicContact CD1-CD 3.84Å; I338-K369 HydrophobicContact CD1-CG 3.79Å; L365-K369 PolarHBondContact O-N 3.43Å; L365-K369 VanDerWaalsContact O-N 3.1Å; L366-K369 CarbonylContact O-C 3.6Å; L366-K369 WeakPolarHBondContact O-CB 3.42Å; L366-K369 PolarHBondContact O-N 3.21Å; L366-K369 VanDerWaalsContact O-N 3.12Å; K369-F371 VanDerWaalsContact C-N 3.32Å; K369-F371 PolarHBondContact O-N 3.43Å; K369-Q372 PolarHBondContact O-N 3.02Å; K369-Q372 VanDerWaalsContact O-N 3.15Å; K369-L373 HydrophobicContact CG-CD1 4.26Å; K369-L373 WeakPolarHBondContact O-CG 3.47Å; K369-L373 PolarHBondContact O-N 2.9Å
370Q94.8Very high94.4Very high30 Ų3081.9 Ų81.914%0.1438%0.382CS..Hα-helixtrans-56.1-45.5174.5-168-17628.600111.6E335 I338 E339 L366 Q372 L373 R374E335-Q370 HydrophobicContact CG-CG 4.04Å; E335-Q370 WeakPolarHBondContact OE1-CG 3.29Å; E335-Q370 PolarHBondContact OE1-NE2 2.9Å; I338-Q370 HydrophobicContact CD1-CB 4.48Å; I338-Q370 HydrophobicContact CG2-CB 4.1Å; E339-Q370 PolarHBondContact OE1-NE2 3.48Å; L366-Q370 WeakPolarHBondContact O-CB 3.23Å; L366-Q370 PolarHBondContact O-N 2.98Å; Q370-Q372 PolarHBondContact O-N 2.86Å; Q370-L373 PolarHBondContact O-N 3.46Å; Q370-R374 WeakPolarHBondContact O-CB 3.21Å; Q370-R374 WeakPolarHBondContact O-CG 3.49Å; Q370-R374 PolarHBondContact O-N 2.81Å
371F94.6Very high94.1Very high153 Ų15379.2 Ų79.267%0.67137%0.365SS*.Hα-helixtrans-59.5-45.4176.4177.3-95.5000112.2S367 R368 K369 R374 A375S367-F371 WeakPolarHBondContact O-CB 3.49Å; S367-F371 PolarHBondContact O-N 2.96Å; R368-F371 PolarHBondContact O-N 3.22Å; K369-F371 VanDerWaalsContact C-N 3.32Å; K369-F371 PolarHBondContact O-N 3.43Å; F371-R374 PolarHBondContact O-N 3.34Å; F371-A375 WeakPolarHBondContact O-CB 3.31Å; F371-A375 PolarHBondContact O-N 3.22Å
372Q94.8Very high93.9Very high133 Ų13379.5 Ų79.562%0.62137%0.366SS*.Hα-helixtrans-63.3-42.3177.4-71.9176.7-16.400112.1R368 K369 Q370 A375 L376R368-Q372 WeakPolarHBondContact O-CG 3.33Å; R368-Q372 PolarHBondContact O-N 3.48Å; R368-Q372 VanDerWaalsContact O-N 3.14Å; K369-Q372 PolarHBondContact O-N 3.02Å; K369-Q372 VanDerWaalsContact O-N 3.15Å; Q370-Q372 PolarHBondContact O-N 2.86Å; Q372-A375 PolarHBondContact O-N 3.34Å; Q372-L376 WeakPolarHBondContact O-CB 3.35Å; Q372-L376 PolarHBondContact O-N 2.87Å
373L94.9Very high93.5Very high14 Ų1480.3 Ų80.37%0.07338%0.377CS..Hα-helixtrans-63.7-45.7177-69.5170.6000111.7L331 E334 I338 K369 Q370 A375 L376 M377L331-L373 HydrophobicContact CD2-CD2 3.5Å; L331-L373 VanDerWaalsContact CD2-CD2 3.5Å; E334-L373 HydrophobicContact CB-CD1 4.03Å; E334-L373 HydrophobicContact CG-CD1 3.7Å; E334-L373 HydrophobicContact CG-CD2 4.46Å; E334-L373 WeakPolarHBondContact OE2-CD2 3.5Å; I338-L373 HydrophobicContact CD1-CD1 3.5Å; K369-L373 HydrophobicContact CG-CD1 4.26Å; K369-L373 WeakPolarHBondContact O-CG 3.47Å; K369-L373 PolarHBondContact O-N 2.9Å; Q370-L373 PolarHBondContact O-N 3.46Å; L373-A375 PolarHBondContact O-N 3.44Å; L373-L376 PolarHBondContact O-N 3.48Å; L373-M377 VanDerWaalsContact O-CB 3.26Å; L373-M377 WeakPolarHBondContact O-CB 3.24Å; L373-M377 PolarHBondContact O-N 2.9Å
374R92.7Very high93.1Very high81 Ų8179.9 Ų79.931%0.30638%0.376SS..Hα-helixtrans-61-45176.3-73.1-176.7178.8-157.2-0.6112E335 E339 Q370 F371 L376 M377 Q378E335-R374 HydrophobicContact CG-CG 4Å; E335-R374 IonicContact OE1-CZ 2.78Å; E335-R374 IonicContact OE1-NE 2.87Å; E335-R374 PolarHBondContact OE1-NE 2.92Å; E335-R374 IonicContact OE1-NH2 3.95Å; E335-R374 PolarHBondContact OE1-NH2 3.37Å; E339-R374 IonicContact OE1-NH2 3.19Å; E339-R374 PolarHBondContact OE1-NH2 2.82Å; Q370-R374 WeakPolarHBondContact O-CB 3.21Å; Q370-R374 WeakPolarHBondContact O-CG 3.49Å; Q370-R374 PolarHBondContact O-N 2.81Å; F371-R374 PolarHBondContact O-N 3.34Å; R374-L376 PolarHBondContact O-N 2.93Å; R374-M377 PolarHBondContact O-N 2.69Å; R374-Q378 WeakPolarHBondContact O-CG 3.38Å; R374-Q378 PolarHBondContact O-N 3.49Å
375A93.4Very high92.7Very high44 Ų4475.4 Ų75.436%0.36438%0.381SS..Hα-helixtrans-62.8-42.1177.200000112.2F371 Q372 L373 K379F371-A375 WeakPolarHBondContact O-CB 3.31Å; F371-A375 PolarHBondContact O-N 3.22Å; Q372-A375 PolarHBondContact O-N 3.34Å; L373-A375 PolarHBondContact O-N 3.44Å; A375-K379 PolarHBondContact O-N 3.38Å; A375-K379 VanDerWaalsContact O-N 3.16Å
376L93.6Very high92.1Very high73 Ų7373.7 Ų73.738%0.38237%0.372SS..Hα-helixtrans-69-38.3177.4-174.558.1000111.8L331 Q372 L373 R374 K379 A380L331-L376 HydrophobicContact CD1-CB 4.29Å; L331-L376 HydrophobicContact CD1-CD2 4.15Å; L331-L376 HydrophobicContact CD1-CG 3.81Å; L331-L376 HydrophobicContact CD2-CB 4.44Å; L331-L376 HydrophobicContact CD2-CD2 3.73Å; L331-L376 HydrophobicContact CD2-CG 4.19Å; Q372-L376 WeakPolarHBondContact O-CB 3.35Å; Q372-L376 PolarHBondContact O-N 2.87Å; L373-L376 PolarHBondContact O-N 3.48Å; R374-L376 PolarHBondContact O-N 2.93Å; L376-K379 PolarHBondContact O-N 3.36Å; L376-A380 WeakPolarHBondContact O-CB 3.35Å; L376-A380 PolarHBondContact O-N 3.47Å
377M92.8Very high91.2Very high12 Ų1276.9 Ų76.96%0.05940%0.397CS..Hα-helixtrans-63-44.6175.8-178.2173.161.800111.5L331 Y332 L373 R374 K379 A380 R381L331-M377 HydrophobicContact CB-CB 4.3Å; L331-M377 HydrophobicContact CD1-CB 4.34Å; Y332-M377 HydrophobicContact CD2-SD 4.07Å; L373-M377 VanDerWaalsContact O-CB 3.26Å; L373-M377 WeakPolarHBondContact O-CB 3.24Å; L373-M377 PolarHBondContact O-N 2.9Å; R374-M377 PolarHBondContact O-N 2.69Å; M377-K379 VanDerWaalsContact C-N 3.35Å; M377-K379 PolarHBondContact O-N 2.84Å; M377-A380 PolarHBondContact O-N 2.92Å; M377-R381 HydrophobicContact CG-CG 4.41Å; M377-R381 WeakPolarHBondContact O-CB 3.23Å; M377-R381 VanDerWaalsContact O-CG 3.3Å; M377-R381 WeakPolarHBondContact O-CG 3.47Å; M377-R381 PolarHBondContact O-N 2.78Å
378Q90.8Very high90.2Very high84 Ų8479.4 Ų79.439%0.39341%0.407SS..Hα-helixtrans-58.9-45.9174.4-75.9178.7-16.100111.5R374 A380 R381 K382 L389R374-Q378 WeakPolarHBondContact O-CG 3.38Å; R374-Q378 PolarHBondContact O-N 3.49Å; Q378-A380 PolarHBondContact O-N 3.36Å; Q378-R381 PolarHBondContact O-N 3.18Å; Q378-K382 WeakPolarHBondContact O-CB 3.43Å; Q378-K382 PolarHBondContact O-N 2.89Å; Q378-L389 PolarHBondContact NE2-O 3.16Å
379K92Very high88.7Confident149 Ų14974.7 Ų74.765%0.64839%0.392SS*.Hα-helixtrans-59.6-46.9175.9-173.4178.1178.6-178.40111.9A375 L376 M377 K382 T383A375-K379 PolarHBondContact O-N 3.38Å; A375-K379 VanDerWaalsContact O-N 3.16Å; L376-K379 PolarHBondContact O-N 3.36Å; M377-K379 VanDerWaalsContact C-N 3.35Å; M377-K379 PolarHBondContact O-N 2.84Å; K379-K382 PolarHBondContact O-N 2.88Å; K379-T383 PolarHBondContact O-N 3.39Å; K379-T383 PolarHBondContact O-OG1 3.3Å; K379-T383 VanDerWaalsContact O-OG1 3.07Å
380A90.8Very high86.7Confident5 Ų582.3 Ų82.34%0.04142%0.421CS..Hα-helixtrans-64.7-41.3-179.600000112.4L324 I328 L376 M377 Q378 T383 A384L324-A380 HydrophobicContact CD1-CB 4.15Å; I328-A380 HydrophobicContact CD1-CB 4.33Å; I328-A380 HydrophobicContact CG1-CB 3.72Å; L376-A380 WeakPolarHBondContact O-CB 3.35Å; L376-A380 PolarHBondContact O-N 3.47Å; M377-A380 PolarHBondContact O-N 2.92Å; Q378-A380 PolarHBondContact O-N 3.36Å; A380-T383 PolarHBondContact O-N 2.88Å; A380-A384 WeakPolarHBondContact O-CB 3.29Å; A380-A384 PolarHBondContact O-N 3.27Å
381R89.8Confident86.3Confident43 Ų4384.9 Ų84.916%0.16244%0.435CS..Hα-helixtrans-64-44.7176.4-73.5178.57095.81.6112.3I328 M377 Q378 T383 A384 G385 L386 S387I328-R381 HydrophobicContact CD1-CG 4.15Å; I328-R381 HydrophobicContact CG1-CG 4.43Å; I328-R381 HydrophobicContact CG2-CG 4.28Å; M377-R381 HydrophobicContact CG-CG 4.41Å; M377-R381 WeakPolarHBondContact O-CB 3.23Å; M377-R381 VanDerWaalsContact O-CG 3.3Å; M377-R381 WeakPolarHBondContact O-CG 3.47Å; M377-R381 PolarHBondContact O-N 2.78Å; Q378-R381 PolarHBondContact O-N 3.18Å; R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.41Å; R381-A384 CarbonylContact O-C 3.57Å; R381-A384 WeakPolarHBondContact O-CA 3.45Å; R381-A384 PolarHBondContact O-N 3.01Å; R381-G385 PolarHBondContact O-N 3.05Å; R381-G385 VanDerWaalsContact O-N 3.13Å; R381-L386 HydrophobicContact CB-CB 4.11Å; R381-L386 HydrophobicContact CG-CB 4.46Å; R381-L386 PolarHBondContact O-N 2.87Å; R381-S387 PolarHBondContact NE-O 2.96Å; R381-S387 PolarHBondContact NH2-O 2.84Å
382K90.3Very high85.9Confident159 Ų15981.3 Ų81.369%0.69142%0.422SS*.Hα-helixtrans-59.2-42.5174.3-174.6174.3-177.1171.40111.9Q378 K379 A384 G385Q378-K382 WeakPolarHBondContact O-CB 3.43Å; Q378-K382 PolarHBondContact O-N 2.89Å; K379-K382 PolarHBondContact O-N 2.88Å; K382-A384 VanDerWaalsContact C-N 3.29Å; K382-A384 PolarHBondContact O-N 2.94Å; K382-G385 PolarHBondContact O-N 3.45Å
383T88.8Confident85.4Confident101 Ų10178.4 Ų78.462%0.6241%0.411SS*.Hα-helixtrans-65.2-32.2174.5-58.80000112.4L324 K379 A380 R381 G385L324-T383 HydrophobicContact CD2-CG2 4.04Å; K379-T383 PolarHBondContact O-N 3.39Å; K379-T383 PolarHBondContact O-OG1 3.3Å; K379-T383 VanDerWaalsContact O-OG1 3.07Å; A380-T383 PolarHBondContact O-N 2.88Å; R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.41Å; T383-G385 VanDerWaalsContact C-N 3.28Å; T383-G385 PolarHBondContact O-N 2.88Å
384A86.6Confident84.8Confident21 Ų2182.2 Ų82.217%0.17443%0.431CS..THydrogen-bonded Turntrans-81-0.4176.600000114.2L324 Y325 I328 A380 R381 K382 L386L324-A384 HydrophobicContact CD2-CB 3.64Å; L324-A384 HydrophobicContact CG-CB 4.2Å; Y325-A384 HydrophobicContact CE1-CB 4.04Å; I328-A384 HydrophobicContact CD1-CB 3.91Å; A380-A384 WeakPolarHBondContact O-CB 3.29Å; A380-A384 PolarHBondContact O-N 3.27Å; R381-A384 CarbonylContact O-C 3.57Å; R381-A384 WeakPolarHBondContact O-CA 3.45Å; R381-A384 PolarHBondContact O-N 3.01Å; K382-A384 VanDerWaalsContact C-N 3.29Å; K382-A384 PolarHBondContact O-N 2.94Å; A384-L386 HydrophobicContact CB-CD1 3.99Å; A384-L386 HydrophobicContact CB-CG 4.1Å; A384-L386 PolarHBondContact O-N 3.39Å
385G87.8Confident84.3Confident70 Ų7082.3 Ų82.372%0.72244%0.439SS*.THydrogen-bonded Turntrans69.816.8-174.700000114.1R381 K382 T383R381-G385 PolarHBondContact O-N 3.05Å; R381-G385 VanDerWaalsContact O-N 3.13Å; K382-G385 PolarHBondContact O-N 3.45Å; T383-G385 VanDerWaalsContact C-N 3.28Å; T383-G385 PolarHBondContact O-N 2.88Å
386L83.6Confident83.7Confident68 Ų6884.9 Ų84.936%0.35644%0.444SS..PPolyproline II helixtrans-88.2148.7176.2-64.8169.2000109.8Y325 I328 R381 A384Y325-L386 HydrophobicContact CD1-CD1 4.49Å; Y325-L386 HydrophobicContact CE1-CD1 4.17Å; I328-L386 HydrophobicContact CD1-CD1 4.01Å; R381-L386 HydrophobicContact CB-CB 4.11Å; R381-L386 HydrophobicContact CG-CB 4.46Å; R381-L386 PolarHBondContact O-N 2.87Å; A384-L386 HydrophobicContact CB-CD1 3.99Å; A384-L386 HydrophobicContact CB-CG 4.1Å; A384-L386 PolarHBondContact O-N 3.39Å
387S76.8Confident83Confident91 Ų9185.7 Ų85.764%0.63645%0.448SS*.PPolyproline II helixtrans-60146.9175.853.40000111.8R381R381-S387 PolarHBondContact NE-O 2.96Å; R381-S387 PolarHBondContact NH2-O 2.84Å
388D73.4Confident82.2Confident103 Ų10391.4 Ų91.455%0.55148%0.478SS*.PPolyproline II helixtrans-59.7140171.4-69.6-34.8000109.6
389L65.4Low81.5Confident53 Ų5392 Ų9228%0.27749%0.485SS..PPolyproline II helixtrans-93.5122.6170.1-121.3139.6000106.6Q378Q378-L389 PolarHBondContact NE2-O 3.16Å
390Y53.1Low80.6Confident241 Ų24186.8 Ų86.895%0.94547%0.471SS*.  trans83.60-176.2-55.1-78.7000116

Retrieved 390 of 390 residues in 2272.5 ms (Link to these results)

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