A0A078BPI8_CAEEL Loading...

Leprecan-like alpha-helical domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BPI8, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 375 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
1M35.8Very low52.2Low241 Ų241147.7 Ų147.7100%1.18774%0.741SS**  086.60-83.5177.6-17100107.3G3M1-G3 PolarHBondContact O-N 3.48Å
2F39.9Very low54.5Low212 Ų212140.9 Ų140.993%0.9372%0.718SS**  trans-8396.3163.1-64.6-79000104.3D4F2-D4 PolarHBondContact O-N 3.36Å
3G39Very low56.9Low51 Ų51135.4 Ų135.453%0.52670%0.695SS.*  trans-58.5136.3171.200000107.8M1 H5M1-G3 PolarHBondContact O-N 3.48Å; G3-H5 PolarHBondContact O-N 3.14Å; G3-H5 PolarHBondContact O-ND1 2.88Å; G3-H5 VanDerWaalsContact O-ND1 3.12Å
4D38.8Very low58.7Low154 Ų154127.6 Ų127.682%0.82465%0.653SS**  trans-44.199.7177.5-78.7-35.2000110F2 Q6F2-D4 PolarHBondContact O-N 3.36Å; D4-Q6 PolarHBondContact O-N 3.11Å
5H45.8Very low60.5Low181 Ų181125.3 Ų125.384%0.83864%0.638SS**  trans-72.585.4166.8-75.26.3000105.5G3 S7G3-H5 PolarHBondContact O-N 3.14Å; G3-H5 PolarHBondContact O-ND1 2.88Å; G3-H5 VanDerWaalsContact O-ND1 3.12Å; H5-S7 VanDerWaalsContact C-N 3.27Å; H5-S7 PolarHBondContact O-N 3.2Å
6Q48Very low62.4Low179 Ų179121 Ų12184%0.83662%0.617SS**  trans-62.797.3167.1-81.9-176.9-1.300107D4 I8D4-Q6 PolarHBondContact O-N 3.11Å; Q6-I8 PolarHBondContact O-N 3.5Å
7S54.6Low64Low98 Ų98119.9 Ų119.969%0.68561%0.612SS**  trans-60.1134.417157.90000108.8H5 K9H5-S7 VanDerWaalsContact C-N 3.27Å; H5-S7 PolarHBondContact O-N 3.2Å; S7-K9 PolarHBondContact O-N 2.98Å
8I58.1Low65.3Low92 Ų92118.2 Ų118.247%0.47260%0.601SS.*  trans-66.8106.4176.7-58.7-179.9000107.5Q6 K10 Y14Q6-I8 PolarHBondContact O-N 3.5Å; I8-K10 VanDerWaalsContact CG2-O 3.3Å; I8-K10 WeakPolarHBondContact CG2-O 3.33Å; I8-K10 PolarHBondContact O-N 2.81Å; I8-Y14 HydrophobicContact CD1-CD2 3.58Å; I8-Y14 HydrophobicContact CD1-CG 4.05Å
9K64.4Low66.7Low202 Ų202116.2 Ų116.288%0.87859%0.589SS**SBendtrans-62.8-24.8-175.5-69.6-175.5177.81790114S7S7-K9 PolarHBondContact O-N 2.98Å
10K74.1Confident68.1Low141 Ų141111.9 Ų111.961%0.61357%0.565SS**  trans-136.5115-178.8-70.2-173.5178.7-176.10110.1I8 S12 V13I8-K10 VanDerWaalsContact CG2-O 3.3Å; I8-K10 WeakPolarHBondContact CG2-O 3.33Å; I8-K10 PolarHBondContact O-N 2.81Å; K10-S12 PolarHBondContact O-N 3.44Å; K10-V13 HydrophobicContact CB-CG2 3.92Å; K10-V13 WeakPolarHBondContact O-CB 3.49Å; K10-V13 PolarHBondContact O-N 2.79Å
11M75.5Confident69.4Low74 Ų74109.8 Ų109.837%0.36555%0.553SS.*Hα-helixtrans-60.5-30179.6-162.259.665.600112.6V13 Y14 H15 K126M11-V13 VanDerWaalsContact C-N 3.26Å; M11-V13 PolarHBondContact O-N 2.8Å; M11-Y14 WeakPolarHBondContact O-CB 3.24Å; M11-Y14 PolarHBondContact O-N 3.02Å; M11-Y14 VanDerWaalsContact O-N 3.1Å; M11-Y14 HydrophobicContact SD-CD1 4.09Å; M11-Y14 HydrophobicContact SD-CG 4.41Å; M11-H15 WeakPolarHBondContact CG-NE2 3.45Å; M11-H15 PolarHBondContact O-CD2 2.73Å; M11-H15 PolarHBondContact O-N 3.07Å; M11-K126 HydrophobicContact CE-CB 4.36Å; M11-K126 HydrophobicContact CE-CG 3.9Å; M11-K126 HydrophobicContact SD-CG 4.09Å
12S80.7Confident72.3Confident66 Ų66100.6 Ų100.646%0.46251%0.511SS..Hα-helixtrans-57.8-37.1174.465.70000113K10 Y14 H15 D16K10-S12 PolarHBondContact O-N 3.44Å; S12-Y14 VanDerWaalsContact C-N 3.32Å; S12-Y14 PolarHBondContact O-N 2.78Å; S12-H15 PolarHBondContact O-N 2.88Å; S12-D16 PolarHBondContact O-N 2.91Å
13V85Confident75Confident69 Ų6992 Ų9242%0.41847%0.472SS..Hα-helixtrans-67-37.8178.2176.80000110.7K10 M11 D16 L17K10-V13 HydrophobicContact CB-CG2 3.92Å; K10-V13 WeakPolarHBondContact O-CB 3.49Å; K10-V13 PolarHBondContact O-N 2.79Å; M11-V13 VanDerWaalsContact C-N 3.26Å; M11-V13 PolarHBondContact O-N 2.8Å; V13-D16 PolarHBondContact O-N 2.87Å; V13-L17 HydrophobicContact CG1-CD1 4.31Å; V13-L17 WeakPolarHBondContact O-CG 3.2Å; V13-L17 PolarHBondContact O-N 2.97Å; V13-L17 VanDerWaalsContact O-N 3.08Å
14Y82.8Confident77.6Confident26 Ų2692.2 Ų92.210%0.10246%0.46CS..Hα-helixtrans-63.1-46174.5174.9-101.1000111.4I8 M11 S12 D16 L17 E18 K126I8-Y14 HydrophobicContact CD1-CD2 3.58Å; I8-Y14 HydrophobicContact CD1-CG 4.05Å; M11-Y14 WeakPolarHBondContact O-CB 3.24Å; M11-Y14 PolarHBondContact O-N 3.02Å; M11-Y14 VanDerWaalsContact O-N 3.1Å; M11-Y14 HydrophobicContact SD-CD1 4.09Å; M11-Y14 HydrophobicContact SD-CG 4.41Å; S12-Y14 VanDerWaalsContact C-N 3.32Å; S12-Y14 PolarHBondContact O-N 2.78Å; Y14-D16 VanDerWaalsContact C-N 3.33Å; Y14-D16 PolarHBondContact O-N 3.2Å; Y14-L17 PolarHBondContact O-N 3.31Å; Y14-L17 VanDerWaalsContact O-N 3.16Å; Y14-E18 HydrophobicContact CD1-CG 4.16Å; Y14-E18 HydrophobicContact CD2-CG 4.4Å; Y14-E18 HydrophobicContact CE1-CG 3.51Å; Y14-E18 HydrophobicContact CE2-CG 3.79Å; Y14-E18 VanDerWaalsContact CZ-CD 3.44Å; Y14-E18 VanDerWaalsContact CZ-OE1 3.24Å; Y14-E18 PolarHBondContact O-N 2.99Å; Y14-E18 WeakPolarHBondContact OH-CG 2.98Å; Y14-E18 PolarHBondContact OH-OE1 3.17Å; Y14-E18 PolarHBondContact OH-OE2 3Å; Y14-K126 HydrophobicContact CE1-CD 4.24Å; Y14-K126 PolarHBondContact OH-NZ 3.42Å
15H85.3Confident80.3Confident94 Ų9492.4 Ų92.444%0.43545%0.45SS..Hα-helixtrans-60.7-42.4176.5-67.6-60.3000112.1M11 S12 L17 E18 E19M11-H15 WeakPolarHBondContact CG-NE2 3.45Å; M11-H15 PolarHBondContact O-CD2 2.73Å; M11-H15 PolarHBondContact O-N 3.07Å; S12-H15 PolarHBondContact O-N 2.88Å; H15-L17 VanDerWaalsContact C-N 3.26Å; H15-L17 PolarHBondContact O-N 3.26Å; H15-E18 PolarHBondContact O-N 3.2Å; H15-E19 WeakPolarHBondContact O-CB 3.33Å; H15-E19 WeakPolarHBondContact O-CG 3.02Å; H15-E19 PolarHBondContact O-N 2.04Å
16D90.9Very high82.7Confident56 Ų5686.9 Ų86.930%0.29943%0.425SS..Hα-helixtrans-61.3-34.8176.3-67.2-22.5000112.3S12 V13 Y14 R20 K21 P22S12-D16 PolarHBondContact O-N 2.91Å; V13-D16 PolarHBondContact O-N 2.87Å; Y14-D16 VanDerWaalsContact C-N 3.33Å; Y14-D16 PolarHBondContact O-N 3.2Å; D16-R20 PolarHBondContact O-N 2.83Å; D16-R20 VanDerWaalsContact O-N 3.16Å; D16-K21 HydrophobicContact CB-CB 4.31Å; D16-K21 HydrophobicContact CB-CD 4.2Å; D16-K21 WeakPolarHBondContact O-CB 3.44Å; D16-K21 PolarHBondContact O-N 3.3Å; D16-K21 WeakPolarHBondContact OD1-CD 3.48Å; D16-K21 IonicContact OD1-NZ 2.81Å; D16-K21 PolarHBondContact OD1-NZ 2.95Å; D16-P22 WeakPolarHBondContact O-CD 3.28Å
17L90.1Very high85.1Confident103 Ų10378.7 Ų78.754%0.53939%0.387SS..Hα-helixtrans-72.9-43.2175.5-71.2169.5000112.5V13 Y14 H15 E19 R20 P22V13-L17 HydrophobicContact CG1-CD1 4.31Å; V13-L17 WeakPolarHBondContact O-CG 3.2Å; V13-L17 PolarHBondContact O-N 2.97Å; V13-L17 VanDerWaalsContact O-N 3.08Å; Y14-L17 PolarHBondContact O-N 3.31Å; Y14-L17 VanDerWaalsContact O-N 3.16Å; H15-L17 VanDerWaalsContact C-N 3.26Å; H15-L17 PolarHBondContact O-N 3.26Å; L17-E19 VanDerWaalsContact C-N 3.32Å; L17-E19 PolarHBondContact O-N 3.26Å; L17-R20 WeakPolarHBondContact O-CA 2.99Å; L17-R20 PolarHBondContact O-N 3.28Å; L17-P22 HydrophobicContact CD2-CG 4Å
18E87.5Confident87.1Confident89 Ų8977.9 Ų77.942%0.41638%0.375SS..Hα-helixtrans-63-38.9175-71.8-80.5136.300111.9Y14 H15 R20Y14-E18 HydrophobicContact CD1-CG 4.16Å; Y14-E18 HydrophobicContact CD2-CG 4.4Å; Y14-E18 HydrophobicContact CE1-CG 3.51Å; Y14-E18 HydrophobicContact CE2-CG 3.79Å; Y14-E18 VanDerWaalsContact CZ-CD 3.44Å; Y14-E18 VanDerWaalsContact CZ-OE1 3.24Å; Y14-E18 PolarHBondContact O-N 2.99Å; Y14-E18 WeakPolarHBondContact OH-CG 2.98Å; Y14-E18 PolarHBondContact OH-OE1 3.17Å; Y14-E18 PolarHBondContact OH-OE2 3Å; H15-E18 PolarHBondContact O-N 3.2Å; E18-R20 PolarHBondContact O-N 3.44Å
19E91.3Very high89Confident80 Ų8076.8 Ų76.837%0.37437%0.374SS..THydrogen-bonded Turntrans-77.1-0.4173.9-68.4174.718000112.5H15 L17 K21 N50H15-E19 WeakPolarHBondContact O-CB 3.33Å; H15-E19 WeakPolarHBondContact O-CG 3.02Å; H15-E19 PolarHBondContact O-N 2.04Å; L17-E19 VanDerWaalsContact C-N 3.32Å; L17-E19 PolarHBondContact O-N 3.26Å; E19-K21 HydrophobicContact CB-CG 4.14Å; E19-K21 PolarHBondContact O-N 3.42Å; E19-K21 VanDerWaalsContact O-N 3.13Å; E19-K21 WeakPolarHBondContact OE2-CE 3.37Å; E19-K21 IonicContact OE2-NZ 2.93Å; E19-K21 PolarHBondContact OE2-NZ 3.17Å; E19-N50 PolarHBondContact O-ND2 3.49Å
20R95Very high90.5Very high29 Ų2969.9 Ų69.911%0.10934%0.343CS..THydrogen-bonded Turntrans57.824.6178-58.4-174.9-175.9179.2-9.2113.6D16 L17 E18 P22 Y23 T45 F46 V48 A49 D76 E78D16-R20 PolarHBondContact O-N 2.83Å; D16-R20 VanDerWaalsContact O-N 3.16Å; L17-R20 WeakPolarHBondContact O-CA 2.99Å; L17-R20 PolarHBondContact O-N 3.28Å; E18-R20 PolarHBondContact O-N 3.44Å; R20-P22 VanDerWaalsContact C-N 3.32Å; R20-Y23 HydrophobicContact CB-CD2 3.86Å; R20-Y23 WeakPolarHBondContact O-CB 3.33Å; R20-Y23 WeakPolarHBondContact O-CD2 3.27Å; R20-Y23 PolarHBondContact O-N 2.68Å; R20-T45 WeakPolarHBondContact CD-O 3.3Å; R20-T45 PolarHBondContact NH1-O 2.75Å; R20-F46 HydrophobicContact CB-CD2 4.46Å; R20-F46 WeakPolarHBondContact O-CD2 3.5Å; R20-V48 VanDerWaalsContact NH1-CG1 3.33Å; R20-A49 HydrophobicContact CB-CB 4.03Å; R20-A49 HydrophobicContact CG-CB 3.79Å; R20-D76 IonicContact CZ-OD1 2.97Å; R20-D76 IonicContact CZ-OD2 3.58Å; R20-D76 VanDerWaalsContact CZ-OD2 3.31Å; R20-D76 IonicContact NH1-OD1 3.69Å; R20-D76 PolarHBondContact NH1-OD1 3.25Å; R20-D76 IonicContact NH1-OD2 2.82Å; R20-D76 PolarHBondContact NH1-OD2 3.29Å; R20-D76 IonicContact NH2-OD1 3.62Å; R20-D76 IonicContact NH2-OD2 3.58Å; R20-D76 PolarHBondContact NH2-OD2 3.05Å; R20-E78 PolarHBondContact NH2-O 3.1Å
21K94.6Very high91.6Very high68 Ų6866.5 Ų66.530%0.29633%0.327SS..Hα-helixtrans-53.4-35.2-178.5-71.4-169-177.1132.20115.2D16 E19 Y23 Q24 Y25 F46D16-K21 HydrophobicContact CB-CB 4.31Å; D16-K21 HydrophobicContact CB-CD 4.2Å; D16-K21 WeakPolarHBondContact O-CB 3.44Å; D16-K21 PolarHBondContact O-N 3.3Å; D16-K21 WeakPolarHBondContact OD1-CD 3.48Å; D16-K21 IonicContact OD1-NZ 2.81Å; D16-K21 PolarHBondContact OD1-NZ 2.95Å; E19-K21 HydrophobicContact CB-CG 4.14Å; E19-K21 PolarHBondContact O-N 3.42Å; E19-K21 VanDerWaalsContact O-N 3.13Å; E19-K21 WeakPolarHBondContact OE2-CE 3.37Å; E19-K21 IonicContact OE2-NZ 2.93Å; E19-K21 PolarHBondContact OE2-NZ 3.17Å; K21-Y23 PolarHBondContact O-N 3.46Å; K21-Y23 VanDerWaalsContact O-N 3.16Å; K21-Q24 WeakPolarHBondContact O-CB 3.45Å; K21-Q24 PolarHBondContact O-N 3.11Å; K21-Y25 WeakPolarHBondContact O-CD2 3.33Å; K21-F46 HydrophobicContact CG-CE2 4.47Å
22P96.1Very high92.6Very high48 Ų4870.2 Ų70.231%0.31234%0.343SS..Hα-helixtrans-54.8-35176.1-29.537.7000113.2D16 L17 R20 Q24 Y25 M26D16-P22 WeakPolarHBondContact O-CD 3.28Å; L17-P22 HydrophobicContact CD2-CG 4Å; R20-P22 VanDerWaalsContact C-N 3.32Å; P22-Q24 VanDerWaalsContact C-N 3.26Å; P22-Q24 PolarHBondContact O-N 3.34Å; P22-Y25 PolarHBondContact O-N 2.83Å; P22-M26 HydrophobicContact CB-SD 4.43Å; P22-M26 WeakPolarHBondContact O-CG 3.44Å; P22-M26 PolarHBondContact O-N 3.5Å
23Y96.9Very high93.3Very high31 Ų3173.3 Ų73.312%0.12235%0.35CS..Hα-helixtrans-66.6-26.8179.8-67.5-76.9000113.4R20 K21 Y25 M26 H27 S42 T45 M77 E78R20-Y23 HydrophobicContact CB-CD2 3.86Å; R20-Y23 WeakPolarHBondContact O-CB 3.33Å; R20-Y23 WeakPolarHBondContact O-CD2 3.27Å; R20-Y23 PolarHBondContact O-N 2.68Å; K21-Y23 PolarHBondContact O-N 3.46Å; K21-Y23 VanDerWaalsContact O-N 3.16Å; Y23-Y25 PolarHBondContact O-N 2.79Å; Y23-M26 HydrophobicContact CD1-SD 4.21Å; Y23-M26 HydrophobicContact CE1-CE 4.38Å; Y23-M26 HydrophobicContact CE1-SD 4.35Å; Y23-M26 PolarHBondContact O-N 2.83Å; Y23-H27 PolarHBondContact O-CD2 3.08Å; Y23-H27 PolarHBondContact O-N 2.84Å; Y23-H27 VanDerWaalsContact O-N 3.16Å; Y23-S42 WeakPolarHBondContact CB-O 3.46Å; Y23-T45 HydrophobicContact CD1-CG2 3.86Å; Y23-T45 HydrophobicContact CD2-CG2 3.6Å; Y23-T45 HydrophobicContact CE1-CG2 3.9Å; Y23-T45 HydrophobicContact CE2-CG2 3.62Å; Y23-T45 HydrophobicContact CG-CG2 3.7Å; Y23-M77 HydrophobicContact CD1-CE 3.51Å; Y23-M77 HydrophobicContact CE1-CB 4.35Å; Y23-M77 HydrophobicContact CE1-CE 3.27Å; Y23-M77 HydrophobicContact CE1-SD 4.17Å; Y23-E78 HydrophobicContact CE2-CG 3.49Å; Y23-E78 VanDerWaalsContact CE2-CG 3.49Å; Y23-E78 WeakPolarHBondContact CE2-OE1 3.33Å; Y23-E78 WeakPolarHBondContact OH-CG 3.43Å; Y23-E78 PolarHBondContact OH-OE1 2.65Å
24Q94.8Very high93.8Very high56 Ų5673.1 Ų73.126%0.26236%0.362SS..Hα-helixtrans-60.8-31.3171.9-165.8-176.816.200112.1K21 P22 H27 F46K21-Q24 WeakPolarHBondContact O-CB 3.45Å; K21-Q24 PolarHBondContact O-N 3.11Å; P22-Q24 VanDerWaalsContact C-N 3.26Å; P22-Q24 PolarHBondContact O-N 3.34Å; Q24-H27 VanDerWaalsContact C-CD2 3.49Å; Q24-H27 PolarHBondContact O-CD2 2.78Å; Q24-H27 PolarHBondContact O-NE2 3.13Å; Q24-F46 HydrophobicContact CB-CD1 4.23Å; Q24-F46 HydrophobicContact CB-CD2 4.05Å; Q24-F46 HydrophobicContact CB-CE1 4.16Å; Q24-F46 HydrophobicContact CB-CE2 3.97Å; Q24-F46 HydrophobicContact CB-CG 4.17Å; Q24-F46 HydrophobicContact CB-CZ 4.03Å; Q24-F46 HydrophobicContact CG-CD1 4.29Å; Q24-F46 HydrophobicContact CG-CE1 3.93Å; Q24-F46 HydrophobicContact CG-CE2 4.47Å; Q24-F46 HydrophobicContact CG-CZ 4.02Å
25Y94.9Very high94.5Very high159 Ų15976.1 Ų76.162%0.62438%0.377SS*.Hα-helixtrans-90.9-38.9176.4-59.2-81.7000111.5K21 P22 Y23 H27 I28 C29K21-Y25 WeakPolarHBondContact O-CD2 3.33Å; P22-Y25 PolarHBondContact O-N 2.83Å; Y23-Y25 PolarHBondContact O-N 2.79Å; Y25-H27 VanDerWaalsContact C-N 3.32Å; Y25-H27 PolarHBondContact O-N 2.01Å; Y25-I28 PolarHBondContact O-N 2.81Å; Y25-C29 PolarHBondContact O-N 3.3Å
26M96.8Very high95.1Very high64 Ų6472.9 Ų72.932%0.31536%0.363SS..Hα-helixtrans-61.3-38.3-176.3-70.8172.364.900112.6P22 Y23 I28 C29 Y30P22-M26 HydrophobicContact CB-SD 4.43Å; P22-M26 WeakPolarHBondContact O-CG 3.44Å; P22-M26 PolarHBondContact O-N 3.5Å; Y23-M26 HydrophobicContact CD1-SD 4.21Å; Y23-M26 HydrophobicContact CE1-CE 4.38Å; Y23-M26 HydrophobicContact CE1-SD 4.35Å; Y23-M26 PolarHBondContact O-N 2.83Å; M26-I28 VanDerWaalsContact C-N 3.28Å; M26-I28 PolarHBondContact O-N 3.09Å; M26-C29 PolarHBondContact O-N 3.14Å; M26-Y30 HydrophobicContact CB-CD2 4.26Å; M26-Y30 HydrophobicContact CB-CE2 4.12Å; M26-Y30 HydrophobicContact CE-CE2 3.81Å; M26-Y30 WeakPolarHBondContact O-CD2 3.15Å; M26-Y30 PolarHBondContact O-N 2.81Å
27H97.1Very high95.3Very high7 Ų772 Ų723%0.03236%0.363CS..Hα-helixtrans-61.6-37.1-178.980.688.2000112.9Y23 Q24 Y25 Y31 A39 A43 I56 Y63Y23-H27 PolarHBondContact O-CD2 3.08Å; Y23-H27 PolarHBondContact O-N 2.84Å; Y23-H27 VanDerWaalsContact O-N 3.16Å; Q24-H27 VanDerWaalsContact C-CD2 3.49Å; Q24-H27 PolarHBondContact O-CD2 2.78Å; Q24-H27 PolarHBondContact O-NE2 3.13Å; Y25-H27 VanDerWaalsContact C-N 3.32Å; Y25-H27 PolarHBondContact O-N 2.01Å; H27-Y31 WeakPolarHBondContact O-CB 3.26Å; H27-Y31 PolarHBondContact O-N 3.2Å; H27-Y31 VanDerWaalsContact O-N 3.09Å; H27-A39 VanDerWaalsContact CB-O 3.32Å; H27-A39 WeakPolarHBondContact CB-O 3.46Å; H27-A39 WeakPolarHBondContact O-CB 3.38Å; H27-A43 HydrophobicContact CB-CB 3.82Å; H27-I56 VanDerWaalsContact NE2-CD1 3.33Å; H27-I56 WeakPolarHBondContact NE2-CD1 3.47Å; H27-Y63 AromaticContact ND1-CE2 3.76Å; H27-Y63 AromaticContact ND1-CZ 3.74Å; H27-Y63 PolarHBondContact ND1-OH 3.25Å; H27-Y63 PolarHBondContact O-OH 3.37Å
28I96.8Very high95.7Very high82 Ų8269.5 Ų69.542%0.42135%0.349SS..Hα-helixtrans-67.3-46.1177.4-59.8175000109.9Y25 M26 Y31 H32Y25-I28 PolarHBondContact O-N 2.81Å; M26-I28 VanDerWaalsContact C-N 3.28Å; M26-I28 PolarHBondContact O-N 3.09Å; I28-Y31 PolarHBondContact O-N 2.84Å; I28-H32 PolarHBondContact O-CD2 2.74Å; I28-H32 PolarHBondContact O-N 2.82Å
29C97.6Very high96.2Very high69 Ų6965.3 Ų65.347%0.46633%0.33SS..Hα-helixtrans-59.5-51179-67.20000112.1Y25 M26 Y31 H32 Q33Y25-C29 PolarHBondContact O-N 3.3Å; M26-C29 PolarHBondContact O-N 3.14Å; C29-Y31 VanDerWaalsContact C-N 3.26Å; C29-Y31 PolarHBondContact O-N 3.26Å; C29-H32 PolarHBondContact O-N 3.08Å; C29-Q33 WeakPolarHBondContact O-CG 3.49Å; C29-Q33 PolarHBondContact O-N 3.3Å; C29-Q33 VanDerWaalsContact O-N 3.12Å
30Y97.8Very high96.5Very high56 Ų5661.5 Ų61.522%0.2231%0.312CS..Hα-helixtrans-60.8-38.9178.2-75.6-56.5000111.9M26 H32 Q33 G34 E35 M38 S42M26-Y30 HydrophobicContact CB-CD2 4.26Å; M26-Y30 HydrophobicContact CB-CE2 4.12Å; M26-Y30 HydrophobicContact CE-CE2 3.81Å; M26-Y30 WeakPolarHBondContact O-CD2 3.15Å; M26-Y30 PolarHBondContact O-N 2.81Å; Y30-H32 PolarHBondContact O-N 3.38Å; Y30-Q33 PolarHBondContact O-N 3.48Å; Y30-Q33 VanDerWaalsContact O-N 3.14Å; Y30-G34 PolarHBondContact O-N 3.19Å; Y30-E35 HydrophobicContact CD1-CB 4.26Å; Y30-E35 WeakPolarHBondContact CD1-OE2 3.29Å; Y30-E35 PolarHBondContact O-N 3.3Å; Y30-M38 HydrophobicContact CD1-CB 3.62Å; Y30-M38 HydrophobicContact CD1-CG 4.25Å; Y30-M38 HydrophobicContact CD2-CB 3.69Å; Y30-M38 HydrophobicContact CE1-CB 4Å; Y30-M38 HydrophobicContact CE1-CE 4.29Å; Y30-M38 HydrophobicContact CE1-CG 4.26Å; Y30-M38 HydrophobicContact CE2-CB 4.04Å; Y30-M38 HydrophobicContact CE2-CE 3.89Å; Y30-M38 HydrophobicContact CG-CB 3.47Å; Y30-M38 VanDerWaalsContact CG-CB 3.47Å; Y30-S42 WeakPolarHBondContact CD2-OG 3.4Å
31Y96Very high96.6Very high71 Ų7161.9 Ų61.928%0.27832%0.315SS..Hα-helixtrans-61.8-45.3177.1-176.3-100.2000112.1H27 I28 C29 Q33 G34 L36 W62 Y63H27-Y31 WeakPolarHBondContact O-CB 3.26Å; H27-Y31 PolarHBondContact O-N 3.2Å; H27-Y31 VanDerWaalsContact O-N 3.09Å; I28-Y31 PolarHBondContact O-N 2.84Å; C29-Y31 VanDerWaalsContact C-N 3.26Å; C29-Y31 PolarHBondContact O-N 3.26Å; Y31-Q33 PolarHBondContact O-N 2.95Å; Y31-G34 PolarHBondContact O-N 2.86Å; Y31-L36 HydrophobicContact CD2-CD1 4.42Å; Y31-L36 HydrophobicContact CE2-CD1 4.42Å; Y31-W62 HydrophobicContact CD1-CH2 4.11Å; Y31-W62 HydrophobicContact CD1-CZ3 4.03Å; Y31-W62 AromaticContact CD2-CZ3 3.87Å; Y31-W62 HydrophobicContact CD2-CZ3 3.87Å; Y31-W62 AromaticContact CE1-CH2 3.26Å; Y31-W62 HydrophobicContact CE1-CH2 3.26Å; Y31-W62 HydrophobicContact CE1-CZ2 4.47Å; Y31-W62 AromaticContact CE1-CZ3 3.54Å; Y31-W62 HydrophobicContact CE1-CZ3 3.54Å; Y31-W62 AromaticContact CE2-CH2 3.78Å; Y31-W62 HydrophobicContact CE2-CH2 3.78Å; Y31-W62 AromaticContact CE2-CZ3 3.37Å; Y31-W62 HydrophobicContact CE2-CZ3 3.37Å; Y31-W62 HydrophobicContact CG-CZ3 4.2Å; Y31-W62 AromaticContact CZ-CH2 3.08Å; Y31-W62 AromaticContact CZ-CZ3 3.2Å; Y31-W62 WeakPolarHBondContact OH-CH2 3.47Å; Y31-Y63 HydrophobicContact CD1-CE1 4.38Å; Y31-Y63 AromaticContact CD2-CD1 3.81Å; Y31-Y63 HydrophobicContact CD2-CD1 3.81Å; Y31-Y63 AromaticContact CD2-CE1 3.39Å; Y31-Y63 HydrophobicContact CD2-CE1 3.39Å; Y31-Y63 HydrophobicContact CE2-CD1 4.24Å; Y31-Y63 HydrophobicContact CE2-CE1 4.13Å; Y31-Y63 HydrophobicContact CG-CD1 4.43Å; Y31-Y63 AromaticContact CG-CE1 3.58Å; Y31-Y63 HydrophobicContact CG-CE1 3.58Å
32H95.8Very high96.8Very high152 Ų15258.6 Ų58.670%0.70430%0.301SS*.Hα-helixtrans-66.1-21.4176.5-78.6-66.5000113.9I28 C29 Y30 G34I28-H32 PolarHBondContact O-CD2 2.74Å; I28-H32 PolarHBondContact O-N 2.82Å; C29-H32 PolarHBondContact O-N 3.08Å; Y30-H32 PolarHBondContact O-N 3.38Å; H32-G34 VanDerWaalsContact C-N 3.3Å
33Q97.1Very high96.8Very high130 Ų13056.3 Ų56.361%0.60729%0.286SS*.THydrogen-bonded Turntrans-83.9-5.5173.7-68.2172.90.300113.1C29 Y30 Y31 E35C29-Q33 WeakPolarHBondContact O-CG 3.49Å; C29-Q33 PolarHBondContact O-N 3.3Å; C29-Q33 VanDerWaalsContact O-N 3.12Å; Y30-Q33 PolarHBondContact O-N 3.48Å; Y30-Q33 VanDerWaalsContact O-N 3.14Å; Y31-Q33 PolarHBondContact O-N 2.95Å; Q33-E35 VanDerWaalsContact C-N 3.35Å; Q33-E35 HydrophobicContact CB-CG 4.47Å
34G95.2Very high96.8Very high65 Ų6556.4 Ų56.467%0.6729%0.286SS*.THydrogen-bonded Turntrans83.29.3-176.700000114.1Y30 Y31 H32 L36Y30-G34 PolarHBondContact O-N 3.19Å; Y31-G34 PolarHBondContact O-N 2.86Å; H32-G34 VanDerWaalsContact C-N 3.3Å; G34-L36 PolarHBondContact O-N 3.25Å
35E97Very high96.9Very high90 Ų9053.8 Ų53.842%0.42127%0.274SS..  trans-90.975.6179.6-63.2-171.5-167.900110.8Y30 Q33 A37 M38 A39Y30-E35 HydrophobicContact CD1-CB 4.26Å; Y30-E35 WeakPolarHBondContact CD1-OE2 3.29Å; Y30-E35 PolarHBondContact O-N 3.3Å; Q33-E35 VanDerWaalsContact C-N 3.35Å; Q33-E35 HydrophobicContact CB-CG 4.47Å; E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 3.42Å; E35-M38 HydrophobicContact CB-CB 4.15Å; E35-M38 HydrophobicContact CB-CG 4.42Å; E35-M38 PolarHBondContact O-N 2.8Å; E35-M38 WeakPolarHBondContact OE2-CG 3.03Å; E35-A39 PolarHBondContact O-N 2.9Å
36L97Very high97Very high26 Ų2646.5 Ų46.514%0.13625%0.245CC..Hα-helixtrans-56.5-44.3-176.5-178.463.6000112.7Y31 G34 M38 A39 V40 Y63 R66Y31-L36 HydrophobicContact CD2-CD1 4.42Å; Y31-L36 HydrophobicContact CE2-CD1 4.42Å; G34-L36 PolarHBondContact O-N 3.25Å; L36-M38 PolarHBondContact O-N 2.95Å; L36-A39 WeakPolarHBondContact O-CB 3.29Å; L36-A39 PolarHBondContact O-N 3.44Å; L36-V40 HydrophobicContact CD1-CG2 4.21Å; L36-V40 HydrophobicContact CG-CG2 4.4Å; L36-V40 WeakPolarHBondContact O-CG2 3Å; L36-V40 PolarHBondContact O-N 2.89Å; L36-Y63 HydrophobicContact CD1-CD1 4.09Å; L36-Y63 HydrophobicContact CD1-CG 4.35Å; L36-R66 HydrophobicContact CD1-CB 4.16Å; L36-R66 HydrophobicContact CD1-CG 4.21Å; L36-R66 HydrophobicContact CD2-CB 3.89Å
37A96.8Very high97Very high36 Ų3645 Ų4530%0.29824%0.238SC..Hα-helixtrans-60.4-47.5-17900000112E35 A39 V40 Q41 M73E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 3.42Å; A37-A39 VanDerWaalsContact C-N 3.31Å; A37-A39 PolarHBondContact O-N 3.25Å; A37-V40 PolarHBondContact O-N 2.04Å; A37-Q41 WeakPolarHBondContact O-CB 3.39Å; A37-Q41 VanDerWaalsContact O-CG 3.26Å; A37-Q41 WeakPolarHBondContact O-CG 3.47Å; A37-Q41 PolarHBondContact O-N 2.86Å; A37-M73 HydrophobicContact CB-CE 4.29Å; A37-M73 HydrophobicContact CB-CG 4.32Å; A37-M73 HydrophobicContact CB-SD 3.97Å
38M97.4Very high96.9Very high52 Ų5245 Ų4526%0.25624%0.239SC..Hα-helixtrans-66.4-33.9178.1-68.6-57.2-62.400112.4Y30 E35 L36 S42 M77Y30-M38 HydrophobicContact CD1-CB 3.62Å; Y30-M38 HydrophobicContact CD1-CG 4.25Å; Y30-M38 HydrophobicContact CD2-CB 3.69Å; Y30-M38 HydrophobicContact CE1-CB 4Å; Y30-M38 HydrophobicContact CE1-CE 4.29Å; Y30-M38 HydrophobicContact CE1-CG 4.26Å; Y30-M38 HydrophobicContact CE2-CB 4.04Å; Y30-M38 HydrophobicContact CE2-CE 3.89Å; Y30-M38 HydrophobicContact CG-CB 3.47Å; Y30-M38 VanDerWaalsContact CG-CB 3.47Å; E35-M38 HydrophobicContact CB-CB 4.15Å; E35-M38 HydrophobicContact CB-CG 4.42Å; E35-M38 PolarHBondContact O-N 2.8Å; E35-M38 WeakPolarHBondContact OE2-CG 3.03Å; L36-M38 PolarHBondContact O-N 2.95Å; M38-S42 VanDerWaalsContact O-CB 3.27Å; M38-S42 WeakPolarHBondContact O-CB 3.46Å; M38-S42 PolarHBondContact O-N 3.04Å; M38-S42 PolarHBondContact O-OG 2.7Å; M38-M77 HydrophobicContact CE-SD 4.2Å
39A97.7Very high96.7Very high0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-63.4-48.517300000111.5H27 E35 L36 A37 S42 A43 Y63H27-A39 VanDerWaalsContact CB-O 3.32Å; H27-A39 WeakPolarHBondContact CB-O 3.46Å; H27-A39 WeakPolarHBondContact O-CB 3.38Å; E35-A39 PolarHBondContact O-N 2.9Å; L36-A39 WeakPolarHBondContact O-CB 3.29Å; L36-A39 PolarHBondContact O-N 3.44Å; A37-A39 VanDerWaalsContact C-N 3.31Å; A37-A39 PolarHBondContact O-N 3.25Å; A39-S42 PolarHBondContact O-N 2.91Å; A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 3.32Å; A39-Y63 HydrophobicContact CB-CE1 4.41Å; A39-Y63 HydrophobicContact CB-CE2 4.31Å
40V97.9Very high96.5Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-61.4-48.8177.6173.90000110.9L36 A37 S42 A43 Y44 L60 Y63 Y69 M73 L74L36-V40 HydrophobicContact CD1-CG2 4.21Å; L36-V40 HydrophobicContact CG-CG2 4.4Å; L36-V40 WeakPolarHBondContact O-CG2 3Å; L36-V40 PolarHBondContact O-N 2.89Å; A37-V40 PolarHBondContact O-N 2.04Å; V40-S42 VanDerWaalsContact C-N 3.33Å; V40-S42 PolarHBondContact O-N 2.97Å; V40-A43 PolarHBondContact O-N 3.37Å; V40-Y44 VanDerWaalsContact O-CB 3.28Å; V40-Y44 WeakPolarHBondContact O-CB 3.18Å; V40-Y44 PolarHBondContact O-N 2.84Å; V40-L60 HydrophobicContact CG1-CD2 4.2Å; V40-Y63 HydrophobicContact CG2-CD2 4.23Å; V40-Y63 HydrophobicContact CG2-CG 4.14Å; V40-Y69 HydrophobicContact CG1-CE2 4.15Å; V40-Y69 HydrophobicContact CG2-CD2 4.2Å; V40-Y69 HydrophobicContact CG2-CE2 4.43Å; V40-M73 HydrophobicContact CB-CB 4.09Å; V40-M73 HydrophobicContact CG1-CB 3.76Å; V40-L74 HydrophobicContact CG1-CD2 3.82Å
41Q97.6Very high96.3Very high37 Ų3739.7 Ų39.717%0.17322%0.216CC..Hα-helixtrans-59.4-44.1178.9-70.1176.914.400111.4A37 Y44 T45 M73 I75 M77A37-Q41 WeakPolarHBondContact O-CB 3.39Å; A37-Q41 VanDerWaalsContact O-CG 3.26Å; A37-Q41 WeakPolarHBondContact O-CG 3.47Å; A37-Q41 PolarHBondContact O-N 2.86Å; Q41-Y44 PolarHBondContact O-N 3.45Å; Q41-T45 VanDerWaalsContact O-CB 3.27Å; Q41-T45 WeakPolarHBondContact O-CB 3.46Å; Q41-T45 PolarHBondContact O-N 2.81Å; Q41-T45 PolarHBondContact O-OG1 2.95Å; Q41-M73 WeakPolarHBondContact CG-O 3.42Å; Q41-I75 HydrophobicContact CG-CB 4.07Å; Q41-M77 HydrophobicContact CB-CE 3.97Å; Q41-M77 HydrophobicContact CB-CG 4.28Å; Q41-M77 HydrophobicContact CB-SD 4.21Å
42S97.8Very high96.2Very high0 Ų042.7 Ų42.70%024%0.236CC..Hα-helixtrans-64.3-46.1178.9-60.90000110.9Y23 Y30 M38 A39 V40 Y44 T45 F46 M77Y23-S42 WeakPolarHBondContact CB-O 3.46Å; Y30-S42 WeakPolarHBondContact CD2-OG 3.4Å; M38-S42 VanDerWaalsContact O-CB 3.27Å; M38-S42 WeakPolarHBondContact O-CB 3.46Å; M38-S42 PolarHBondContact O-N 3.04Å; M38-S42 PolarHBondContact O-OG 2.7Å; A39-S42 PolarHBondContact O-N 2.91Å; V40-S42 VanDerWaalsContact C-N 3.33Å; V40-S42 PolarHBondContact O-N 2.97Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 3.01Å; S42-T45 PolarHBondContact O-N 3.49Å; S42-F46 PolarHBondContact O-N 2.92Å; S42-M77 WeakPolarHBondContact OG-CE 3.47Å
43A97.7Very high96.2Very high0 Ų037.4 Ų37.40%021%0.213CC..Hα-helixtrans-65.1-39.3179.300000112.1H27 A39 V40 F46 L47 I56 L60 Y63H27-A43 HydrophobicContact CB-CB 3.82Å; A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 3.32Å; V40-A43 PolarHBondContact O-N 3.37Å; A43-F46 PolarHBondContact O-N 3.34Å; A43-L47 WeakPolarHBondContact O-CB 3.27Å; A43-L47 PolarHBondContact O-N 3.13Å; A43-I56 HydrophobicContact CB-CD1 3.59Å; A43-I56 HydrophobicContact CB-CG1 4.02Å; A43-I56 VanDerWaalsContact O-CG1 3.29Å; A43-I56 WeakPolarHBondContact O-CG1 3.15Å; A43-L60 HydrophobicContact CB-CD1 4.38Å; A43-L60 HydrophobicContact CB-CD2 3.72Å; A43-L60 HydrophobicContact CB-CG 3.76Å; A43-Y63 HydrophobicContact CB-CD2 4.38Å; A43-Y63 HydrophobicContact CB-CE2 3.99Å
44Y97Very high96.1Very high33 Ų3339.4 Ų39.413%0.12922%0.22CC..Hα-helixtrans-66-44.1175.9-172.8-108.9000112V40 Q41 S42 F46 L47 V48 L74 D76 N164V40-Y44 VanDerWaalsContact O-CB 3.28Å; V40-Y44 WeakPolarHBondContact O-CB 3.18Å; V40-Y44 PolarHBondContact O-N 2.84Å; Q41-Y44 PolarHBondContact O-N 3.45Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 3.01Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 PolarHBondContact O-N 3.17Å; Y44-L47 HydrophobicContact CD2-CD2 4.44Å; Y44-L47 WeakPolarHBondContact O-CB 3.33Å; Y44-L47 PolarHBondContact O-N 3.09Å; Y44-L47 VanDerWaalsContact O-N 3.09Å; Y44-V48 HydrophobicContact CD1-CG2 4.25Å; Y44-V48 HydrophobicContact CE1-CG2 3.92Å; Y44-V48 HydrophobicContact CE2-CG2 4.44Å; Y44-V48 WeakPolarHBondContact O-CG2 3.49Å; Y44-V48 PolarHBondContact O-N 3.32Å; Y44-L74 HydrophobicContact CD1-CB 4.36Å; Y44-L74 HydrophobicContact CD2-CB 4.26Å; Y44-L74 HydrophobicContact CD2-CD2 3.79Å; Y44-L74 HydrophobicContact CE1-CB 4.36Å; Y44-L74 WeakPolarHBondContact CE1-O 3.49Å; Y44-L74 HydrophobicContact CE2-CB 4.28Å; Y44-L74 HydrophobicContact CE2-CD2 4.36Å; Y44-L74 HydrophobicContact CG-CB 4.28Å; Y44-L74 HydrophobicContact CG-CD2 4.13Å; Y44-D76 HydrophobicContact CD1-CB 4.3Å; Y44-D76 HydrophobicContact CE1-CB 4.23Å; Y44-N164 PolarHBondContact OH-ND2 3.18Å; Y44-N164 PolarHBondContact OH-OD1 3.27Å
45T96.8Very high96.1Very high0 Ų041.3 Ų41.30%022%0.215CC..Hα-helixtrans-55.6-42.7175.2-61.10000111.6R20 Y23 Q41 S42 I75 D76 M77 E78R20-T45 WeakPolarHBondContact CD-O 3.3Å; R20-T45 PolarHBondContact NH1-O 2.75Å; Y23-T45 HydrophobicContact CD1-CG2 3.86Å; Y23-T45 HydrophobicContact CD2-CG2 3.6Å; Y23-T45 HydrophobicContact CE1-CG2 3.9Å; Y23-T45 HydrophobicContact CE2-CG2 3.62Å; Y23-T45 HydrophobicContact CG-CG2 3.7Å; Q41-T45 VanDerWaalsContact O-CB 3.27Å; Q41-T45 WeakPolarHBondContact O-CB 3.46Å; Q41-T45 PolarHBondContact O-N 2.81Å; Q41-T45 PolarHBondContact O-OG1 2.95Å; S42-T45 PolarHBondContact O-N 3.49Å; T45-I75 PolarHBondContact OG1-O 3.31Å; T45-D76 WeakPolarHBondContact CG2-OD1 3.49Å; T45-M77 HydrophobicContact CG2-CB 4.41Å; T45-M77 WeakPolarHBondContact OG1-CE 3.4Å; T45-M77 PolarHBondContact OG1-N 2.79Å; T45-E78 HydrophobicContact CG2-CB 4.13Å; T45-E78 HydrophobicContact CG2-CG 3.8Å
46F97.1Very high96.1Very high6 Ų637.1 Ų37.13%0.02620%0.195CC..Hα-helixtrans-67.7-43.5174.4-176.3-112.6000112.6R20 K21 Q24 S42 A43 Y44 V48 A49 N50 D53 I56R20-F46 HydrophobicContact CB-CD2 4.46Å; R20-F46 WeakPolarHBondContact O-CD2 3.5Å; K21-F46 HydrophobicContact CG-CE2 4.47Å; Q24-F46 HydrophobicContact CB-CD1 4.23Å; Q24-F46 HydrophobicContact CB-CD2 4.05Å; Q24-F46 HydrophobicContact CB-CE1 4.16Å; Q24-F46 HydrophobicContact CB-CE2 3.97Å; Q24-F46 HydrophobicContact CB-CG 4.17Å; Q24-F46 HydrophobicContact CB-CZ 4.03Å; Q24-F46 HydrophobicContact CG-CD1 4.29Å; Q24-F46 HydrophobicContact CG-CE1 3.93Å; Q24-F46 HydrophobicContact CG-CE2 4.47Å; Q24-F46 HydrophobicContact CG-CZ 4.02Å; S42-F46 PolarHBondContact O-N 2.92Å; A43-F46 PolarHBondContact O-N 3.34Å; Y44-F46 VanDerWaalsContact C-N 3.28Å; Y44-F46 PolarHBondContact O-N 3.17Å; F46-V48 VanDerWaalsContact C-N 3.31Å; F46-V48 PolarHBondContact O-N 3.29Å; F46-A49 PolarHBondContact O-N 3.44Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.48Å; F46-N50 HydrophobicContact CE1-CB 4.26Å; F46-N50 HydrophobicContact CE2-CB 4.49Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.41Å; F46-N50 HydrophobicContact CZ-CB 4.18Å; F46-N50 PolarHBondContact O-N 2.84Å; F46-N50 PolarHBondContact O-ND2 2.98Å; F46-D53 HydrophobicContact CE1-CB 4.34Å; F46-I56 HydrophobicContact CB-CG1 4.48Å; F46-I56 HydrophobicContact CD1-CB 3.88Å; F46-I56 HydrophobicContact CD1-CD1 3.99Å; F46-I56 HydrophobicContact CD1-CG1 3.78Å; F46-I56 HydrophobicContact CD1-CG2 4.14Å; F46-I56 HydrophobicContact CE1-CB 4.31Å
47L96.1Very high96Very high32 Ų3240.4 Ų40.417%0.16821%0.209CC..Hα-helixtrans-59.5-39.4178.6177.269.7000112.1A43 Y44 A49 N50 P51 I56 K57 L60A43-L47 WeakPolarHBondContact O-CB 3.27Å; A43-L47 PolarHBondContact O-N 3.13Å; Y44-L47 HydrophobicContact CD2-CD2 4.44Å; Y44-L47 WeakPolarHBondContact O-CB 3.33Å; Y44-L47 PolarHBondContact O-N 3.09Å; Y44-L47 VanDerWaalsContact O-N 3.09Å; L47-A49 VanDerWaalsContact C-N 3.28Å; L47-A49 PolarHBondContact O-N 3.01Å; L47-N50 CarbonylContact O-C 3.56Å; L47-N50 PolarHBondContact O-N 3.05Å; L47-P51 VanDerWaalsContact O-CA 3.3Å; L47-P51 WeakPolarHBondContact O-CA 3.28Å; L47-I56 HydrophobicContact CB-CG1 4.5Å; L47-I56 HydrophobicContact CB-CG2 3.99Å; L47-I56 HydrophobicContact CD1-CG2 3.65Å; L47-I56 HydrophobicContact CG-CG2 4.41Å; L47-K57 HydrophobicContact CD1-CG 3.77Å; L47-L60 HydrophobicContact CB-CD1 3.99Å; L47-L60 HydrophobicContact CD2-CD1 3.51Å; L47-L60 HydrophobicContact CG-CD1 4.31Å
48V94.4Very high96Very high9 Ų945.4 Ų45.46%0.05523%0.226CC..Hα-helixtrans-59.6-38.5178.4168.20000111.8R20 Y44 F46 D76 R162 G165R20-V48 VanDerWaalsContact NH1-CG1 3.33Å; Y44-V48 HydrophobicContact CD1-CG2 4.25Å; Y44-V48 HydrophobicContact CE1-CG2 3.92Å; Y44-V48 HydrophobicContact CE2-CG2 4.44Å; Y44-V48 WeakPolarHBondContact O-CG2 3.49Å; Y44-V48 PolarHBondContact O-N 3.32Å; F46-V48 VanDerWaalsContact C-N 3.31Å; F46-V48 PolarHBondContact O-N 3.29Å; V48-D76 HydrophobicContact CG2-CB 4.26Å; V48-R162 PolarHBondContact O-NH1 2.9Å; V48-R162 VanDerWaalsContact O-NH1 3.11Å; V48-G165 VanDerWaalsContact O-CA 3.27Å; V48-G165 WeakPolarHBondContact O-CA 3.33Å
49A92.9Very high95.9Very high23 Ų2344.6 Ų44.619%0.1923%0.225CC..Hα-helixtrans-78.8-26173.200000112.9R20 F46 L47 R162R20-A49 HydrophobicContact CB-CB 4.03Å; R20-A49 HydrophobicContact CG-CB 3.79Å; F46-A49 PolarHBondContact O-N 3.44Å; L47-A49 VanDerWaalsContact C-N 3.28Å; L47-A49 PolarHBondContact O-N 3.01Å; A49-R162 PolarHBondContact O-NH1 3.43Å
50N94.3Very high95.9Very high43 Ų4344.9 Ų44.923%0.2323%0.227CC..  trans-131.666.4-172.8-54.9-84.3000111.8E19 F46 L47 D52 D53E19-N50 PolarHBondContact O-ND2 3.49Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.48Å; F46-N50 HydrophobicContact CE1-CB 4.26Å; F46-N50 HydrophobicContact CE2-CB 4.49Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.41Å; F46-N50 HydrophobicContact CZ-CB 4.18Å; F46-N50 PolarHBondContact O-N 2.84Å; F46-N50 PolarHBondContact O-ND2 2.98Å; L47-N50 CarbonylContact O-C 3.56Å; L47-N50 PolarHBondContact O-N 3.05Å; N50-D52 PolarHBondContact O-N 3.39Å; N50-D52 VanDerWaalsContact O-N 3.12Å; N50-D53 HydrophobicContact CB-CB 4.14Å; N50-D53 WeakPolarHBondContact O-CB 3.31Å; N50-D53 PolarHBondContact O-N 2.88Å; N50-D53 VanDerWaalsContact O-N 3.13Å
51P92.8Very high95.8Very high29 Ų2949.5 Ų49.519%0.18825%0.251CS..THydrogen-bonded Turntrans-71.7-10.1-169.228.9-38000113.3L47 K57 R162L47-P51 VanDerWaalsContact O-CA 3.3Å; L47-P51 WeakPolarHBondContact O-CA 3.28Å; P51-K57 WeakPolarHBondContact O-CE 3.35Å; P51-K57 PolarHBondContact O-NZ 3.36Å; P51-R162 VanDerWaalsContact CD-CZ 3.46Å; P51-R162 VanDerWaalsContact CD-NH2 3.34Å
52D93.4Very high95.7Very high133 Ų13352.6 Ų52.671%0.71126%0.262SS*.THydrogen-bonded Turntrans-98.8-4.8177-64.4-47000113.3N50 K54N50-D52 PolarHBondContact O-N 3.39Å; N50-D52 VanDerWaalsContact O-N 3.12Å; D52-K54 PolarHBondContact O-N 3.23Å
53D95.4Very high95.6Very high42 Ų4253.1 Ų53.123%0.22526%0.263CS..  trans-66.4120.4179-172.6-75.5000110.6F46 N50 D55 I56 K57F46-D53 HydrophobicContact CE1-CB 4.34Å; N50-D53 HydrophobicContact CB-CB 4.14Å; N50-D53 WeakPolarHBondContact O-CB 3.31Å; N50-D53 PolarHBondContact O-N 2.88Å; N50-D53 VanDerWaalsContact O-N 3.13Å; D53-D55 PolarHBondContact OD1-N 2.68Å; D53-D55 VanDerWaalsContact OD1-N 3.08Å; D53-I56 HydrophobicContact CB-CG2 3.81Å; D53-I56 PolarHBondContact OD1-N 2.96Å; D53-K57 VanDerWaalsContact O-CG 3.31Å; D53-K57 WeakPolarHBondContact O-CG 2.96Å
54K95.9Very high95.5Very high171 Ų17156.4 Ų56.474%0.74328%0.28SS*.Hα-helixtrans-78.5-34-174.6-68179.7-178.91750112.1D52 K57 Q58D52-K54 PolarHBondContact O-N 3.23Å; K54-K57 PolarHBondContact O-N 2.85Å; K54-Q58 WeakPolarHBondContact O-CB 3.18Å; K54-Q58 PolarHBondContact O-N 3.45Å
55D95.1Very high95.4Very high106 Ų10660.4 Ų60.457%0.56730%0.304SS*.Hα-helixtrans-72.4-39.7-173.4-65-17.9000110.3D53 Q58 S59D53-D55 PolarHBondContact OD1-N 2.68Å; D53-D55 VanDerWaalsContact OD1-N 3.08Å; D55-Q58 PolarHBondContact O-N 2.66Å; D55-S59 WeakPolarHBondContact O-CB 3.42Å; D55-S59 PolarHBondContact O-N 2.7Å; D55-S59 PolarHBondContact O-OG 3.05Å
56I96.3Very high95.4Very high2 Ų265 Ų651%0.0132%0.321CS..Hα-helixtrans-70.5-37.3176.3-157.368.7000112.1H27 A43 F46 L47 D53 Q58 S59 L60H27-I56 VanDerWaalsContact NE2-CD1 3.33Å; H27-I56 WeakPolarHBondContact NE2-CD1 3.47Å; A43-I56 HydrophobicContact CB-CD1 3.59Å; A43-I56 HydrophobicContact CB-CG1 4.02Å; A43-I56 VanDerWaalsContact O-CG1 3.29Å; A43-I56 WeakPolarHBondContact O-CG1 3.15Å; F46-I56 HydrophobicContact CB-CG1 4.48Å; F46-I56 HydrophobicContact CD1-CB 3.88Å; F46-I56 HydrophobicContact CD1-CD1 3.99Å; F46-I56 HydrophobicContact CD1-CG1 3.78Å; F46-I56 HydrophobicContact CD1-CG2 4.14Å; F46-I56 HydrophobicContact CE1-CB 4.31Å; L47-I56 HydrophobicContact CB-CG1 4.5Å; L47-I56 HydrophobicContact CB-CG2 3.99Å; L47-I56 HydrophobicContact CD1-CG2 3.65Å; L47-I56 HydrophobicContact CG-CG2 4.41Å; D53-I56 HydrophobicContact CB-CG2 3.81Å; D53-I56 PolarHBondContact OD1-N 2.96Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 2.87Å; I56-S59 PolarHBondContact O-N 3.5Å; I56-L60 WeakPolarHBondContact O-CB 3.3Å; I56-L60 PolarHBondContact O-N 3.12Å
57K96.1Very high95.2Very high95 Ų9572.7 Ų72.741%0.41336%0.362SS..Hα-helixtrans-60.8-43.5173-75.3177.2-176.4173.40111.2L47 P51 D53 K54 S59 N61L47-K57 HydrophobicContact CD1-CG 3.77Å; P51-K57 WeakPolarHBondContact O-CE 3.35Å; P51-K57 PolarHBondContact O-NZ 3.36Å; D53-K57 VanDerWaalsContact O-CG 3.31Å; D53-K57 WeakPolarHBondContact O-CG 2.96Å; K54-K57 PolarHBondContact O-N 2.85Å; K57-S59 VanDerWaalsContact C-N 3.35Å; K57-N61 WeakPolarHBondContact O-CB 3.36Å; K57-N61 PolarHBondContact O-N 3.23Å
58Q96.5Very high95Very high141 Ų14174 Ų7466%0.65938%0.384SS*.Hα-helixtrans-63.3-43.1176-175.2175.97.400111.2K54 D55 I56 N61 W62K54-Q58 WeakPolarHBondContact O-CB 3.18Å; K54-Q58 PolarHBondContact O-N 3.45Å; D55-Q58 PolarHBondContact O-N 2.66Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 2.87Å; Q58-N61 PolarHBondContact O-N 3.35Å; Q58-W62 VanDerWaalsContact O-CB 3.32Å; Q58-W62 WeakPolarHBondContact O-CB 3.36Å; Q58-W62 PolarHBondContact O-N 2.95Å
59S95.9Very high95.1Very high35 Ų3575.8 Ų75.825%0.24539%0.39CS..Hα-helixtrans-63-45.3178.1-60.20000112D55 I56 K57 W62 Y63D55-S59 WeakPolarHBondContact O-CB 3.42Å; D55-S59 PolarHBondContact O-N 2.7Å; D55-S59 PolarHBondContact O-OG 3.05Å; I56-S59 PolarHBondContact O-N 3.5Å; K57-S59 VanDerWaalsContact C-N 3.35Å; S59-W62 WeakPolarHBondContact O-CB 3.47Å; S59-W62 PolarHBondContact O-N 3.45Å; S59-Y63 VanDerWaalsContact O-CD2 3.24Å; S59-Y63 WeakPolarHBondContact O-CD2 3.49Å; S59-Y63 PolarHBondContact O-N 3.04Å
60L96.1Very high95.3Very high6 Ų677.4 Ų77.43%0.03140%0.4CS..Hα-helixtrans-62.9-47.3176-82.4166.1000112.2V40 A43 L47 I56 W62 Y63 M64 L74V40-L60 HydrophobicContact CG1-CD2 4.2Å; A43-L60 HydrophobicContact CB-CD1 4.38Å; A43-L60 HydrophobicContact CB-CD2 3.72Å; A43-L60 HydrophobicContact CB-CG 3.76Å; L47-L60 HydrophobicContact CB-CD1 3.99Å; L47-L60 HydrophobicContact CD2-CD1 3.51Å; L47-L60 HydrophobicContact CG-CD1 4.31Å; I56-L60 WeakPolarHBondContact O-CB 3.3Å; I56-L60 PolarHBondContact O-N 3.12Å; L60-W62 PolarHBondContact O-N 3.46Å; L60-Y63 HydrophobicContact CD2-CD2 4.47Å; L60-Y63 PolarHBondContact O-N 3.04Å; L60-M64 VanDerWaalsContact O-CG 3.23Å; L60-M64 WeakPolarHBondContact O-CG 3.42Å; L60-M64 PolarHBondContact O-N 3.29Å; L60-L74 HydrophobicContact CD2-CD2 4.34Å
61N96.5Very high95.3Very high96 Ų9681.1 Ų81.151%0.51342%0.42SS..Hα-helixtrans-57.8-36.8174.9-175.529.5000111.1K57 Q58 M64 N65K57-N61 WeakPolarHBondContact O-CB 3.36Å; K57-N61 PolarHBondContact O-N 3.23Å; Q58-N61 PolarHBondContact O-N 3.35Å; N61-M64 PolarHBondContact O-N 2.98Å; N61-N65 PolarHBondContact O-N 3.17Å; N61-N65 PolarHBondContact O-ND2 3.16Å; N61-N65 PolarHBondContact OD1-ND2 3.47Å
62W95.4Very high95.4Very high103 Ų10385.2 Ų85.239%0.3944%0.44SS..Hα-helixtrans-68.1-37.8176-17395.9000113.1Y31 Q58 S59 L60 R66Y31-W62 HydrophobicContact CD1-CH2 4.11Å; Y31-W62 HydrophobicContact CD1-CZ3 4.03Å; Y31-W62 AromaticContact CD2-CZ3 3.87Å; Y31-W62 HydrophobicContact CD2-CZ3 3.87Å; Y31-W62 AromaticContact CE1-CH2 3.26Å; Y31-W62 HydrophobicContact CE1-CH2 3.26Å; Y31-W62 HydrophobicContact CE1-CZ2 4.47Å; Y31-W62 AromaticContact CE1-CZ3 3.54Å; Y31-W62 HydrophobicContact CE1-CZ3 3.54Å; Y31-W62 AromaticContact CE2-CH2 3.78Å; Y31-W62 HydrophobicContact CE2-CH2 3.78Å; Y31-W62 AromaticContact CE2-CZ3 3.37Å; Y31-W62 HydrophobicContact CE2-CZ3 3.37Å; Y31-W62 HydrophobicContact CG-CZ3 4.2Å; Y31-W62 AromaticContact CZ-CH2 3.08Å; Y31-W62 AromaticContact CZ-CZ3 3.2Å; Y31-W62 WeakPolarHBondContact OH-CH2 3.47Å; Q58-W62 VanDerWaalsContact O-CB 3.32Å; Q58-W62 WeakPolarHBondContact O-CB 3.36Å; Q58-W62 PolarHBondContact O-N 2.95Å; S59-W62 WeakPolarHBondContact O-CB 3.47Å; S59-W62 PolarHBondContact O-N 3.45Å; L60-W62 PolarHBondContact O-N 3.46Å; W62-R66 VanDerWaalsContact CE2-CZ 3.47Å; W62-R66 HydrophobicContact CE3-CG 4.43Å; W62-R66 HydrophobicContact CZ3-CG 4.39Å; W62-R66 PolarHBondContact O-NE 2.77Å
63Y96.5Very high95.5Very high10 Ų1080.3 Ų80.34%0.03941%0.414CS..Hα-helixtrans-68.4-38.5173.1-61-41.2000112.5H27 Y31 L36 A39 V40 A43 S59 L60 N65 R66H27-Y63 AromaticContact ND1-CE2 3.76Å; H27-Y63 AromaticContact ND1-CZ 3.74Å; H27-Y63 PolarHBondContact ND1-OH 3.25Å; H27-Y63 PolarHBondContact O-OH 3.37Å; Y31-Y63 HydrophobicContact CD1-CE1 4.38Å; Y31-Y63 AromaticContact CD2-CD1 3.81Å; Y31-Y63 HydrophobicContact CD2-CD1 3.81Å; Y31-Y63 AromaticContact CD2-CE1 3.39Å; Y31-Y63 HydrophobicContact CD2-CE1 3.39Å; Y31-Y63 HydrophobicContact CE2-CD1 4.24Å; Y31-Y63 HydrophobicContact CE2-CE1 4.13Å; Y31-Y63 HydrophobicContact CG-CD1 4.43Å; Y31-Y63 AromaticContact CG-CE1 3.58Å; Y31-Y63 HydrophobicContact CG-CE1 3.58Å; L36-Y63 HydrophobicContact CD1-CD1 4.09Å; L36-Y63 HydrophobicContact CD1-CG 4.35Å; A39-Y63 HydrophobicContact CB-CE1 4.41Å; A39-Y63 HydrophobicContact CB-CE2 4.31Å; V40-Y63 HydrophobicContact CG2-CD2 4.23Å; V40-Y63 HydrophobicContact CG2-CG 4.14Å; A43-Y63 HydrophobicContact CB-CD2 4.38Å; A43-Y63 HydrophobicContact CB-CE2 3.99Å; S59-Y63 VanDerWaalsContact O-CD2 3.24Å; S59-Y63 WeakPolarHBondContact O-CD2 3.49Å; S59-Y63 PolarHBondContact O-N 3.04Å; L60-Y63 HydrophobicContact CD2-CD2 4.47Å; L60-Y63 PolarHBondContact O-N 3.04Å; Y63-N65 PolarHBondContact O-N 3.39Å; Y63-N65 VanDerWaalsContact O-N 3.17Å; Y63-R66 VanDerWaalsContact O-CB 3.26Å; Y63-R66 WeakPolarHBondContact O-CB 3.45Å; Y63-R66 WeakPolarHBondContact O-CG 3.37Å; Y63-R66 PolarHBondContact O-N 3.41Å
64M95.4Very high95.5Very high70 Ų7080.4 Ų80.435%0.34541%0.414SS..Hα-helixtrans-60.2-25177.9-71.3167.5172.500113.1L60 N61 Y69 L74L60-M64 VanDerWaalsContact O-CG 3.23Å; L60-M64 WeakPolarHBondContact O-CG 3.42Å; L60-M64 PolarHBondContact O-N 3.29Å; N61-M64 PolarHBondContact O-N 2.98Å; M64-Y69 HydrophobicContact CB-CD1 4.2Å; M64-Y69 HydrophobicContact CB-CE1 4.03Å; M64-Y69 HydrophobicContact CG-CD1 4.39Å; M64-Y69 HydrophobicContact CG-CD2 4.37Å; M64-Y69 HydrophobicContact CG-CE1 3.82Å; M64-Y69 HydrophobicContact CG-CE2 3.81Å; M64-Y69 WeakPolarHBondContact O-CD1 3.18Å; M64-L74 HydrophobicContact CE-CD1 4.11Å; M64-L74 HydrophobicContact CE-CD2 3.88Å
65N95.6Very high95.4Very high117 Ų11775.9 Ų75.963%0.62640%0.397SS*.THydrogen-bonded Turntrans-90.88.4177.1-70.3-60.5000113.6N61 Y63N61-N65 PolarHBondContact O-N 3.17Å; N61-N65 PolarHBondContact O-ND2 3.16Å; N61-N65 PolarHBondContact OD1-ND2 3.47Å; Y63-N65 PolarHBondContact O-N 3.39Å; Y63-N65 VanDerWaalsContact O-N 3.17Å
66R95.1Very high95.4Very high95 Ų9571.1 Ų71.136%0.35837%0.371SS..SBendtrans-90.9145.1179.2-61.1-70.9148.4-159.1-12111.1L36 W62 Y63 G68 Y69L36-R66 HydrophobicContact CD1-CB 4.16Å; L36-R66 HydrophobicContact CD1-CG 4.21Å; L36-R66 HydrophobicContact CD2-CB 3.89Å; W62-R66 VanDerWaalsContact CE2-CZ 3.47Å; W62-R66 HydrophobicContact CE3-CG 4.43Å; W62-R66 HydrophobicContact CZ3-CG 4.39Å; W62-R66 PolarHBondContact O-NE 2.77Å; Y63-R66 VanDerWaalsContact O-CB 3.26Å; Y63-R66 WeakPolarHBondContact O-CB 3.45Å; Y63-R66 WeakPolarHBondContact O-CG 3.37Å; Y63-R66 PolarHBondContact O-N 3.41Å; R66-G68 PolarHBondContact O-N 3.46Å; R66-Y69 WeakPolarHBondContact O-CB 3.46Å; R66-Y69 PolarHBondContact O-N 2.85Å; R66-Y69 VanDerWaalsContact O-N 3.15Å
67D93.4Very high95.3Very high168 Ų16874 Ų7490%0.89839%0.386SS*.THydrogen-bonded Turntrans-59130.4168.9-64.4-35.2000109.7
68G92.4Very high95.2Very high61 Ų6173.9 Ų73.963%0.62939%0.387SS*.THydrogen-bonded Turntrans92.1-1.1-177.300000115R66 M73R66-G68 PolarHBondContact O-N 3.46Å; G68-M73 WeakPolarHBondContact O-CE 3.44Å
69Y96.8Very high95.1Very high45 Ų4571.1 Ų71.118%0.17637%0.37CS..  trans-66144.2169.2174.2-104.2000112V40 M64 R66 D71 M73 L74V40-Y69 HydrophobicContact CG1-CE2 4.15Å; V40-Y69 HydrophobicContact CG2-CD2 4.2Å; V40-Y69 HydrophobicContact CG2-CE2 4.43Å; M64-Y69 HydrophobicContact CB-CD1 4.2Å; M64-Y69 HydrophobicContact CB-CE1 4.03Å; M64-Y69 HydrophobicContact CG-CD1 4.39Å; M64-Y69 HydrophobicContact CG-CD2 4.37Å; M64-Y69 HydrophobicContact CG-CE1 3.82Å; M64-Y69 HydrophobicContact CG-CE2 3.81Å; M64-Y69 WeakPolarHBondContact O-CD1 3.18Å; R66-Y69 WeakPolarHBondContact O-CB 3.46Å; R66-Y69 PolarHBondContact O-N 2.85Å; R66-Y69 VanDerWaalsContact O-N 3.15Å; Y69-D71 WeakPolarHBondContact CE1-OD1 3.06Å; Y69-D71 PolarHBondContact OH-OD1 3.48Å; Y69-M73 HydrophobicContact CD2-SD 4.46Å; Y69-L74 WeakPolarHBondContact OH-CD1 3.36Å
70S96.1Very high95Very high58 Ų5873.5 Ų73.541%0.40638%0.376SS..  trans-148.4151.9166.5-178.40000110.2D72 M73S70-D72 WeakPolarHBondContact CB-OD1 3.4Å; S70-D72 PolarHBondContact O-N 2.99Å; S70-D72 PolarHBondContact OG-OD1 3.03Å; S70-D72 VanDerWaalsContact OG-OD1 3.06Å; S70-M73 VanDerWaalsContact O-CB 3.3Å; S70-M73 WeakPolarHBondContact O-CB 3.46Å; S70-M73 WeakPolarHBondContact O-CG 3Å; S70-M73 PolarHBondContact O-N 3.24Å
71D94.1Very high94.9Very high120 Ų12077.7 Ų77.764%0.64240%0.398SS*.G310 helixtrans-62.3-23.3-176.4-66.1-23.9000112.6Y69 M73 L74Y69-D71 WeakPolarHBondContact CE1-OD1 3.06Å; Y69-D71 PolarHBondContact OH-OD1 3.48Å; D71-M73 PolarHBondContact O-N 3.18Å; D71-L74 WeakPolarHBondContact O-CB 3.49Å; D71-L74 PolarHBondContact O-N 2.95Å; D71-L74 VanDerWaalsContact O-N 3.13Å
72D94.6Very high94.8Very high115 Ų11573.3 Ų73.362%0.61538%0.375SS*.G310 helixtrans-64.7-15.9174.873-32.3000113.3S70 L74 I75S70-D72 WeakPolarHBondContact CB-OD1 3.4Å; S70-D72 PolarHBondContact O-N 2.99Å; S70-D72 PolarHBondContact OG-OD1 3.03Å; S70-D72 VanDerWaalsContact OG-OD1 3.06Å; D72-L74 VanDerWaalsContact C-N 3.28Å; D72-L74 PolarHBondContact O-N 3.33Å; D72-I75 WeakPolarHBondContact O-CD1 3.4Å; D72-I75 VanDerWaalsContact O-CG1 3.31Å; D72-I75 WeakPolarHBondContact O-CG1 3.29Å
73M96.3Very high94.9Very high31 Ų3168.8 Ų68.815%0.15336%0.358CS..G310 helixtrans-76.7-11.8174.8-58-174.1-178.100113.3A37 V40 Q41 G68 Y69 S70 D71 I75A37-M73 HydrophobicContact CB-CE 4.29Å; A37-M73 HydrophobicContact CB-CG 4.32Å; A37-M73 HydrophobicContact CB-SD 3.97Å; V40-M73 HydrophobicContact CB-CB 4.09Å; V40-M73 HydrophobicContact CG1-CB 3.76Å; Q41-M73 WeakPolarHBondContact CG-O 3.42Å; G68-M73 WeakPolarHBondContact O-CE 3.44Å; Y69-M73 HydrophobicContact CD2-SD 4.46Å; S70-M73 VanDerWaalsContact O-CB 3.3Å; S70-M73 WeakPolarHBondContact O-CB 3.46Å; S70-M73 WeakPolarHBondContact O-CG 3Å; S70-M73 PolarHBondContact O-N 3.24Å; D71-M73 PolarHBondContact O-N 3.18Å; M73-I75 PolarHBondContact O-N 3.19Å
74L94.9Very high94.8Very high44 Ų4469.7 Ų69.723%0.2337%0.368CS..  trans-78.669.3178.3-63.3173.8000111.1V40 Y44 L60 M64 Y69 D71 D72V40-L74 HydrophobicContact CG1-CD2 3.82Å; Y44-L74 HydrophobicContact CD1-CB 4.36Å; Y44-L74 HydrophobicContact CD2-CB 4.26Å; Y44-L74 HydrophobicContact CD2-CD2 3.79Å; Y44-L74 HydrophobicContact CE1-CB 4.36Å; Y44-L74 WeakPolarHBondContact CE1-O 3.49Å; Y44-L74 HydrophobicContact CE2-CB 4.28Å; Y44-L74 HydrophobicContact CE2-CD2 4.36Å; Y44-L74 HydrophobicContact CG-CB 4.28Å; Y44-L74 HydrophobicContact CG-CD2 4.13Å; L60-L74 HydrophobicContact CD2-CD2 4.34Å; M64-L74 HydrophobicContact CE-CD1 4.11Å; M64-L74 HydrophobicContact CE-CD2 3.88Å; Y69-L74 WeakPolarHBondContact OH-CD1 3.36Å; D71-L74 WeakPolarHBondContact O-CB 3.49Å; D71-L74 PolarHBondContact O-N 2.95Å; D71-L74 VanDerWaalsContact O-N 3.13Å; D72-L74 VanDerWaalsContact C-N 3.28Å; D72-L74 PolarHBondContact O-N 3.33Å
75I94.1Very high95Very high75 Ų7569 Ų6939%0.38536%0.363SS..  trans-109.9125-179-54.1176.9000109.2Q41 T45 D72 M73 M77Q41-I75 HydrophobicContact CG-CB 4.07Å; T45-I75 PolarHBondContact OG1-O 3.31Å; D72-I75 WeakPolarHBondContact O-CD1 3.4Å; D72-I75 VanDerWaalsContact O-CG1 3.31Å; D72-I75 WeakPolarHBondContact O-CG1 3.29Å; M73-I75 PolarHBondContact O-N 3.19Å; I75-M77 PolarHBondContact O-N 3.49Å
76D95.4Very high95.1Very high6 Ų663.8 Ų63.83%0.03233%0.334CS..  trans-78.8109.7167.1176.213.1000108.7R20 Y44 T45 V48 E78 R79R20-D76 IonicContact CZ-OD1 2.97Å; R20-D76 IonicContact CZ-OD2 3.58Å; R20-D76 VanDerWaalsContact CZ-OD2 3.31Å; R20-D76 IonicContact NH1-OD1 3.69Å; R20-D76 PolarHBondContact NH1-OD1 3.25Å; R20-D76 IonicContact NH1-OD2 2.82Å; R20-D76 PolarHBondContact NH1-OD2 3.29Å; R20-D76 IonicContact NH2-OD1 3.62Å; R20-D76 IonicContact NH2-OD2 3.58Å; R20-D76 PolarHBondContact NH2-OD2 3.05Å; Y44-D76 HydrophobicContact CD1-CB 4.3Å; Y44-D76 HydrophobicContact CE1-CB 4.23Å; T45-D76 WeakPolarHBondContact CG2-OD1 3.49Å; V48-D76 HydrophobicContact CG2-CB 4.26Å; D76-E78 PolarHBondContact O-N 2.87Å; D76-E78 PolarHBondContact OD1-N 3.42Å; D76-R79 HydrophobicContact CB-CB 4.01Å; D76-R79 VanDerWaalsContact O-CB 3.29Å; D76-R79 WeakPolarHBondContact O-CB 3.33Å; D76-R79 PolarHBondContact O-N 3.06Å; D76-R79 PolarHBondContact OD1-N 3.25Å
77M94.6Very high95.2Very high63 Ų6361.4 Ų61.431%0.3133%0.329SS..THydrogen-bonded Turntrans-69.6-19.5-179.7-68.6-178.8-79.100113Y23 M38 Q41 S42 T45 I75Y23-M77 HydrophobicContact CD1-CE 3.51Å; Y23-M77 HydrophobicContact CE1-CB 4.35Å; Y23-M77 HydrophobicContact CE1-CE 3.27Å; Y23-M77 HydrophobicContact CE1-SD 4.17Å; M38-M77 HydrophobicContact CE-SD 4.2Å; Q41-M77 HydrophobicContact CB-CE 3.97Å; Q41-M77 HydrophobicContact CB-CG 4.28Å; Q41-M77 HydrophobicContact CB-SD 4.21Å; S42-M77 WeakPolarHBondContact OG-CE 3.47Å; T45-M77 HydrophobicContact CG2-CB 4.41Å; T45-M77 WeakPolarHBondContact OG1-CE 3.4Å; T45-M77 PolarHBondContact OG1-N 2.79Å; I75-M77 PolarHBondContact O-N 3.49Å
78E94.1Very high95.4Very high93 Ų9355.9 Ų55.944%0.43530%0.299SS..THydrogen-bonded Turntrans-102.712.4178.6-66.9-67.8165.100111.9R20 Y23 T45 D76 K80R20-E78 PolarHBondContact NH2-O 3.1Å; Y23-E78 HydrophobicContact CE2-CG 3.49Å; Y23-E78 VanDerWaalsContact CE2-CG 3.49Å; Y23-E78 WeakPolarHBondContact CE2-OE1 3.33Å; Y23-E78 WeakPolarHBondContact OH-CG 3.43Å; Y23-E78 PolarHBondContact OH-OE1 2.65Å; T45-E78 HydrophobicContact CG2-CB 4.13Å; T45-E78 HydrophobicContact CG2-CG 3.8Å; D76-E78 PolarHBondContact O-N 2.87Å; D76-E78 PolarHBondContact OD1-N 3.42Å; E78-K80 PolarHBondContact O-N 3.12Å
79R94Very high95.6Very high82 Ų8253 Ų5331%0.30927%0.269SS..  trans-61.5124.9179.8-174.9176.6-68.9162.80.1109.9D76 E83 A84 N164D76-R79 HydrophobicContact CB-CB 4.01Å; D76-R79 VanDerWaalsContact O-CB 3.29Å; D76-R79 WeakPolarHBondContact O-CB 3.33Å; D76-R79 PolarHBondContact O-N 3.06Å; D76-R79 PolarHBondContact OD1-N 3.25Å; R79-E83 HydrophobicContact CG-CB 4.19Å; R79-E83 HydrophobicContact CG-CG 4.35Å; R79-A84 HydrophobicContact CG-CB 4.32Å; R79-N164 PolarHBondContact NH2-OD1 3.08Å
80K92.9Very high95.7Very high86 Ų8652.5 Ų52.537%0.37427%0.271SS..  trans-83.2153.6177.2-64.8178.9-178.4175.70110.4E78 H82 E83 A84E78-K80 PolarHBondContact O-N 3.12Å; K80-H82 VanDerWaalsContact C-N 3.3Å; K80-H82 WeakPolarHBondContact CB-ND1 3.38Å; K80-H82 PolarHBondContact O-N 2.99Å; K80-E83 WeakPolarHBondContact O-CB 3.41Å; K80-E83 PolarHBondContact O-N 3.3Å; K80-E83 VanDerWaalsContact O-N 3.1Å; K80-A84 PolarHBondContact O-N 3.28Å; K80-A84 VanDerWaalsContact O-N 3.1Å
81D94.4Very high95.8Very high93 Ų9353.6 Ų53.650%0.49727%0.269SS..Hα-helixtrans-56.4-39.4-177.7-63.95.9000114.5E83 A84 K85 K111D81-E83 VanDerWaalsContact C-N 3.27Å; D81-E83 PolarHBondContact O-N 2.87Å; D81-A84 PolarHBondContact O-N 2.88Å; D81-K85 WeakPolarHBondContact O-CB 3.36Å; D81-K85 WeakPolarHBondContact O-CG 3.23Å; D81-K85 PolarHBondContact O-N 2.86Å; D81-K111 HydrophobicContact CB-CD 3.66Å; D81-K111 IonicContact OD2-NZ 2.93Å; D81-K111 PolarHBondContact OD2-NZ 3.45Å
82H95.6Very high96Very high4 Ų447.9 Ų47.92%0.01924%0.239CC..Hα-helixtrans-61.4-40.1-179.476.9-72.4000111.4K80 K85 F86 K111 S112K80-H82 VanDerWaalsContact C-N 3.3Å; K80-H82 WeakPolarHBondContact CB-ND1 3.38Å; K80-H82 PolarHBondContact O-N 2.99Å; H82-K85 PolarHBondContact O-N 3.1Å; H82-F86 WeakPolarHBondContact O-CB 3.46Å; H82-F86 PolarHBondContact O-N 3.18Å; H82-K111 HydrophobicContact CB-CB 3.68Å; H82-S112 PolarHBondContact CD2-OG 3.48Å; H82-S112 VanDerWaalsContact CD2-OG 3.25Å
83E95.8Very high96.1Very high8 Ų845.8 Ų45.84%0.03722%0.223CC..Hα-helixtrans-67.5-45.2177.7-167.5-170.7160.200110.7R79 K80 D81 K85 F86 I87 I163 N164R79-E83 HydrophobicContact CG-CB 4.19Å; R79-E83 HydrophobicContact CG-CG 4.35Å; K80-E83 WeakPolarHBondContact O-CB 3.41Å; K80-E83 PolarHBondContact O-N 3.3Å; K80-E83 VanDerWaalsContact O-N 3.1Å; D81-E83 VanDerWaalsContact C-N 3.27Å; D81-E83 PolarHBondContact O-N 2.87Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.32Å; E83-F86 PolarHBondContact O-N 3.41Å; E83-I87 HydrophobicContact CG-CD1 4.09Å; E83-I87 VanDerWaalsContact O-CG1 3.26Å; E83-I87 WeakPolarHBondContact O-CG1 3.35Å; E83-I87 PolarHBondContact O-N 3.1Å; E83-I163 HydrophobicContact CG-CB 4.29Å; E83-I163 HydrophobicContact CG-CG2 3.77Å; E83-N164 VanDerWaalsContact OE1-CA 3.25Å; E83-N164 WeakPolarHBondContact OE1-CA 3.32Å; E83-N164 PolarHBondContact OE1-N 3.06Å
84A96.1Very high96.2Very high30 Ų3049.8 Ų49.825%0.24825%0.245CC..Hα-helixtrans-58.5-43.9175.200000111.7R79 K80 D81 I87 N88R79-A84 HydrophobicContact CG-CB 4.32Å; K80-A84 PolarHBondContact O-N 3.28Å; K80-A84 VanDerWaalsContact O-N 3.1Å; D81-A84 PolarHBondContact O-N 2.88Å; A84-I87 PolarHBondContact O-N 3.31Å; A84-N88 WeakPolarHBondContact O-CB 3.32Å; A84-N88 PolarHBondContact O-N 3.02Å; A84-N88 PolarHBondContact O-ND2 3.34Å; A84-N88 PolarHBondContact O-OD1 3.06Å
85K98.2Very high96.3Very high54 Ų5452.7 Ų52.724%0.23526%0.257CS..Hα-helixtrans-64.6-41.1175.9-73.3-56.9-170.8175.70112.7D81 H82 E83 N88 G89 E104 A108 K111D81-K85 WeakPolarHBondContact O-CB 3.36Å; D81-K85 WeakPolarHBondContact O-CG 3.23Å; D81-K85 PolarHBondContact O-N 2.86Å; H82-K85 PolarHBondContact O-N 3.1Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.32Å; K85-N88 PolarHBondContact O-N 2.98Å; K85-G89 PolarHBondContact O-N 3.19Å; K85-E104 WeakPolarHBondContact CD-OE2 3.26Å; K85-E104 IonicContact NZ-OE1 4Å; K85-E104 PolarHBondContact NZ-OE1 3.17Å; K85-E104 IonicContact NZ-OE2 3.83Å; K85-E104 PolarHBondContact NZ-OE2 2.85Å; K85-A108 HydrophobicContact CB-CB 3.64Å; K85-K111 HydrophobicContact CG-CD 3.78Å
86F97.9Very high96.5Very high8 Ų855.5 Ų55.54%0.03527%0.269CS..Hα-helixtrans-62.7-46.3175.9-166.3-81000111.6H82 E83 N88 G89 V90 F105 A108 I163 A174 H175 Y178H82-F86 WeakPolarHBondContact O-CB 3.46Å; H82-F86 PolarHBondContact O-N 3.18Å; E83-F86 PolarHBondContact O-N 3.41Å; F86-N88 PolarHBondContact O-N 3.2Å; F86-G89 WeakPolarHBondContact O-CA 3.24Å; F86-G89 PolarHBondContact O-N 2.84Å; F86-G89 VanDerWaalsContact O-N 3.11Å; F86-V90 HydrophobicContact CD1-CG2 3.93Å; F86-V90 HydrophobicContact CE1-CG2 3.75Å; F86-V90 WeakPolarHBondContact O-CG2 3.5Å; F86-V90 PolarHBondContact O-N 3.09Å; F86-F105 HydrophobicContact CD1-CE1 4.18Å; F86-F105 HydrophobicContact CD2-CD1 4.01Å; F86-F105 AromaticContact CD2-CE1 3.77Å; F86-F105 HydrophobicContact CD2-CE1 3.77Å; F86-F105 HydrophobicContact CE1-CE1 4.17Å; F86-F105 HydrophobicContact CE2-CD1 4.19Å; F86-F105 AromaticContact CE2-CE1 3.76Å; F86-F105 HydrophobicContact CE2-CE1 3.76Å; F86-F105 HydrophobicContact CG-CD1 4.49Å; F86-F105 AromaticContact CG-CE1 3.99Å; F86-F105 HydrophobicContact CG-CE1 3.99Å; F86-F105 AromaticContact CZ-CE1 3.97Å; F86-F105 HydrophobicContact CZ-CE1 3.97Å; F86-A108 HydrophobicContact CB-CB 4.16Å; F86-I163 HydrophobicContact CB-CD1 3.95Å; F86-I163 HydrophobicContact CD1-CD1 3.42Å; F86-I163 VanDerWaalsContact CD1-CD1 3.42Å; F86-I163 HydrophobicContact CD1-CG2 3.97Å; F86-I163 HydrophobicContact CD2-CD1 3.69Å; F86-I163 HydrophobicContact CE1-CD1 3.71Å; F86-I163 HydrophobicContact CE2-CD1 3.97Å; F86-I163 HydrophobicContact CG-CD1 3.4Å; F86-I163 HydrophobicContact CZ-CD1 3.97Å; F86-A174 HydrophobicContact CE2-CB 4.42Å; F86-A174 HydrophobicContact CZ-CB 4.25Å; F86-H175 AromaticContact CD2-CD2 3.91Å; F86-H175 AromaticContact CD2-CE1 3.65Å; F86-H175 AromaticContact CD2-NE2 3.54Å; F86-H175 AromaticContact CE2-CE1 3.93Å; F86-H175 AromaticContact CE2-ND1 3.89Å; F86-Y178 HydrophobicContact CE1-CE2 4.18Å; F86-Y178 AromaticContact CZ-CD2 3.98Å; F86-Y178 HydrophobicContact CZ-CD2 3.98Å; F86-Y178 AromaticContact CZ-CE2 3.86Å; F86-Y178 HydrophobicContact CZ-CE2 3.86Å
87I96.7Very high96.6Very high46 Ų4658.8 Ų58.824%0.23629%0.286CS..Hα-helixtrans-60.4-45.9177.8-66.4163.8000110.8E83 A84 G89 V90 E91 I163 N164E83-I87 HydrophobicContact CG-CD1 4.09Å; E83-I87 VanDerWaalsContact O-CG1 3.26Å; E83-I87 WeakPolarHBondContact O-CG1 3.35Å; E83-I87 PolarHBondContact O-N 3.1Å; A84-I87 PolarHBondContact O-N 3.31Å; I87-G89 VanDerWaalsContact C-N 3.26Å; I87-G89 PolarHBondContact O-N 3.07Å; I87-V90 PolarHBondContact O-N 3.19Å; I87-E91 PolarHBondContact O-N 3.32Å; I87-I163 HydrophobicContact CD1-CG2 4.4Å; I87-I163 HydrophobicContact CG1-CG2 3.92Å; I87-N164 HydrophobicContact CD1-CB 4.07Å
88N97.8Very high96.8Very high52 Ų5258.3 Ų58.328%0.27828%0.281SS..Hα-helixtrans-62.1-34.2175.4-68.1-12000112.5A84 K85 F86 E91 A92 E104A84-N88 WeakPolarHBondContact O-CB 3.32Å; A84-N88 PolarHBondContact O-N 3.02Å; A84-N88 PolarHBondContact O-ND2 3.34Å; A84-N88 PolarHBondContact O-OD1 3.06Å; K85-N88 PolarHBondContact O-N 2.98Å; F86-N88 PolarHBondContact O-N 3.2Å; N88-E91 PolarHBondContact O-N 2.82Å; N88-A92 WeakPolarHBondContact O-CB 3.37Å; N88-A92 PolarHBondContact O-N 3.29Å; N88-E104 HydrophobicContact CB-CB 4.32Å; N88-E104 HydrophobicContact CB-CG 3.93Å; N88-E104 WeakPolarHBondContact CB-OE2 3.39Å; N88-E104 PolarHBondContact ND2-OE2 3.15Å
89G98.2Very high97Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-64.8-44.8174.500000112K85 F86 I87 A92 Y93 F105K85-G89 PolarHBondContact O-N 3.19Å; F86-G89 WeakPolarHBondContact O-CA 3.24Å; F86-G89 PolarHBondContact O-N 2.84Å; F86-G89 VanDerWaalsContact O-N 3.11Å; I87-G89 VanDerWaalsContact C-N 3.26Å; I87-G89 PolarHBondContact O-N 3.07Å; G89-A92 PolarHBondContact O-N 2.91Å; G89-Y93 WeakPolarHBondContact O-CB 3.36Å; G89-Y93 PolarHBondContact O-N 3.4Å; G89-F105 VanDerWaalsContact O-CE2 3.26Å; G89-F105 WeakPolarHBondContact O-CE2 3.33Å
90V97.8Very high97.2Very high34 Ų3454.7 Ų54.721%0.20627%0.271CS..Hα-helixtrans-62.2-44.8174.2176.60000110.6F86 I87 A92 Y93 D94 F105 Y178F86-V90 HydrophobicContact CD1-CG2 3.93Å; F86-V90 HydrophobicContact CE1-CG2 3.75Å; F86-V90 WeakPolarHBondContact O-CG2 3.5Å; F86-V90 PolarHBondContact O-N 3.09Å; I87-V90 PolarHBondContact O-N 3.19Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 3.24Å; V90-Y93 WeakPolarHBondContact O-CB 3.49Å; V90-Y93 PolarHBondContact O-N 3.05Å; V90-D94 PolarHBondContact O-N 3.2Å; V90-F105 HydrophobicContact CG2-CE1 4.3Å; V90-F105 HydrophobicContact CG2-CZ 3.81Å; V90-Y178 HydrophobicContact CG2-CE1 4.34Å; V90-Y178 HydrophobicContact CG2-CE2 4.15Å
91E97.6Very high97.5Very high82 Ų8250.6 Ų50.638%0.38325%0.253SS..Hα-helixtrans-58.1-46.1175.7-170.7-157.5179.500111.4I87 N88 Y93 D94 Q95 R100I87-E91 PolarHBondContact O-N 3.32Å; N88-E91 PolarHBondContact O-N 2.82Å; E91-Y93 VanDerWaalsContact C-N 3.33Å; E91-Y93 PolarHBondContact O-N 3.13Å; E91-D94 PolarHBondContact O-N 3.3Å; E91-Q95 WeakPolarHBondContact O-CB 3.04Å; E91-Q95 VanDerWaalsContact O-CG 3.26Å; E91-Q95 WeakPolarHBondContact O-CG 3.45Å; E91-Q95 PolarHBondContact O-N 2.93Å; E91-Q95 PolarHBondContact OE1-NE2 3.41Å; E91-R100 IonicContact OE2-CZ 3.38Å; E91-R100 IonicContact OE2-NH1 3.09Å; E91-R100 IonicContact OE2-NH2 3.36Å; E91-R100 PolarHBondContact OE2-NH2 2.92Å
92A98.4Very high97.7Very high0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-65.1-36.5177.500000112.6N88 G89 V90 Q95 Q96 D97 R100 C101N88-A92 WeakPolarHBondContact O-CB 3.37Å; N88-A92 PolarHBondContact O-N 3.29Å; G89-A92 PolarHBondContact O-N 2.91Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 3.24Å; A92-Q95 CarbonylContact O-C 3.49Å; A92-Q95 PolarHBondContact O-N 3.48Å; A92-Q96 PolarHBondContact O-N 3.32Å; A92-D97 PolarHBondContact O-N 2.91Å; A92-R100 HydrophobicContact CB-CB 3.94Å; A92-R100 HydrophobicContact CB-CG 3.76Å; A92-C101 HydrophobicContact CB-CB 4.19Å
93Y98Very high97.8Very high70 Ų7050.6 Ų50.628%0.27525%0.254SS..Hα-helixtrans-61-47.3173172.7-83.2000111.3G89 V90 E91 Q95 Q96 W98 Y178 F181G89-Y93 WeakPolarHBondContact O-CB 3.36Å; G89-Y93 PolarHBondContact O-N 3.4Å; V90-Y93 WeakPolarHBondContact O-CB 3.49Å; V90-Y93 PolarHBondContact O-N 3.05Å; E91-Y93 VanDerWaalsContact C-N 3.33Å; E91-Y93 PolarHBondContact O-N 3.13Å; Y93-Q95 VanDerWaalsContact C-N 3.32Å; Y93-Q95 PolarHBondContact O-N 3.18Å; Y93-Q96 PolarHBondContact O-N 2.92Å; Y93-W98 HydrophobicContact CD2-CZ3 4.04Å; Y93-W98 HydrophobicContact CE2-CZ3 4.38Å; Y93-Y178 HydrophobicContact CD1-CE1 4.22Å; Y93-Y178 AromaticContact CD2-CD1 3.82Å; Y93-Y178 HydrophobicContact CD2-CD1 3.82Å; Y93-Y178 HydrophobicContact CD2-CE1 4.24Å; Y93-Y178 HydrophobicContact CE2-CD1 4.21Å; Y93-Y178 HydrophobicContact CE2-CE1 4.49Å; Y93-Y178 HydrophobicContact CG-CD1 4.04Å; Y93-Y178 HydrophobicContact CG-CE1 4.1Å; Y93-F181 AromaticContact CD2-CD1 4Å; Y93-F181 HydrophobicContact CD2-CD1 4Å; Y93-F181 HydrophobicContact CD2-CE1 4.48Å; Y93-F181 HydrophobicContact CE2-CB 4.26Å; Y93-F181 AromaticContact CE2-CD1 3.24Å; Y93-F181 HydrophobicContact CE2-CD1 3.24Å; Y93-F181 AromaticContact CE2-CE1 3.62Å; Y93-F181 HydrophobicContact CE2-CE1 3.62Å; Y93-F181 AromaticContact CE2-CG 3.91Å; Y93-F181 HydrophobicContact CE2-CG 3.91Å
94D97.4Very high97.9Very high115 Ų11551.5 Ų51.562%0.61526%0.258SS*.Hα-helixtrans-65.6-36.4179.1-71.3-22.9000111.9V90 E91 Q96V90-D94 PolarHBondContact O-N 3.2Å; E91-D94 PolarHBondContact O-N 3.3Å; D94-Q96 PolarHBondContact O-N 3.5Å
95Q98Very high98Very high106 Ų10650.1 Ų50.150%0.49525%0.246SC..THydrogen-bonded Turntrans-75.7-5.5173.9-691716.500113.5E91 A92 Y93 D97E91-Q95 WeakPolarHBondContact O-CB 3.04Å; E91-Q95 VanDerWaalsContact O-CG 3.26Å; E91-Q95 WeakPolarHBondContact O-CG 3.45Å; E91-Q95 PolarHBondContact O-N 2.93Å; E91-Q95 PolarHBondContact OE1-NE2 3.41Å; A92-Q95 CarbonylContact O-C 3.49Å; A92-Q95 PolarHBondContact O-N 3.48Å; Y93-Q95 VanDerWaalsContact C-N 3.32Å; Y93-Q95 PolarHBondContact O-N 3.18Å; Q95-D97 PolarHBondContact O-N 2.88Å
96Q97.8Very high98Very high134 Ų13451.8 Ų51.863%0.62626%0.255SS*.THydrogen-bonded Turntrans5923.5-175.4-52.9-177.115.800114A92 Y93 D94 W98A92-Q96 PolarHBondContact O-N 3.32Å; Y93-Q96 PolarHBondContact O-N 2.92Å; D94-Q96 PolarHBondContact O-N 3.5Å; Q96-W98 VanDerWaalsContact C-N 3.32Å; Q96-W98 HydrophobicContact CB-CH2 4Å; Q96-W98 HydrophobicContact CB-CZ2 3.5Å; Q96-W98 VanDerWaalsContact CB-CZ2 3.5Å; Q96-W98 HydrophobicContact CG-CH2 3.93Å; Q96-W98 HydrophobicContact CG-CZ2 3.71Å; Q96-W98 PolarHBondContact O-N 2.92Å; Q96-W98 VanDerWaalsContact O-N 3.09Å; Q96-W98 PolarHBondContact O-NE1 3.19Å
97D98.3Very high98.1Very high74 Ų7452.6 Ų52.640%0.39626%0.262SS..  trans-81.882.8169.7-174.3-14.7000108.7A92 Q95 G99 R100 C101A92-D97 PolarHBondContact O-N 2.91Å; Q95-D97 PolarHBondContact O-N 2.88Å; D97-G99 PolarHBondContact O-N 2.02Å; D97-G99 PolarHBondContact OD1-N 3.45Å; D97-R100 HydrophobicContact CB-CB 4.09Å; D97-R100 PolarHBondContact O-N 3Å; D97-R100 WeakPolarHBondContact OD1-CB 3.32Å; D97-R100 PolarHBondContact OD1-N 3.44Å; D97-R100 VanDerWaalsContact OD2-CB 3.31Å; D97-R100 WeakPolarHBondContact OD2-CB 3.38Å; D97-C101 WeakPolarHBondContact O-CB 3.46Å; D97-C101 PolarHBondContact O-N 3.29Å
98W98.1Very high98.1Very high53 Ų5350.4 Ų50.420%0.20125%0.25CS..Hα-helixtrans-63.8-30.8-174.3-48.6117000113.1Y93 Q96 C101 V102 F181 K185 M186Y93-W98 HydrophobicContact CD2-CZ3 4.04Å; Y93-W98 HydrophobicContact CE2-CZ3 4.38Å; Q96-W98 VanDerWaalsContact C-N 3.32Å; Q96-W98 HydrophobicContact CB-CH2 4Å; Q96-W98 HydrophobicContact CB-CZ2 3.5Å; Q96-W98 VanDerWaalsContact CB-CZ2 3.5Å; Q96-W98 HydrophobicContact CG-CH2 3.93Å; Q96-W98 HydrophobicContact CG-CZ2 3.71Å; Q96-W98 PolarHBondContact O-N 2.92Å; Q96-W98 VanDerWaalsContact O-N 3.09Å; Q96-W98 PolarHBondContact O-NE1 3.19Å; W98-C101 PolarHBondContact O-N 3.28Å; W98-V102 WeakPolarHBondContact O-CG2 3.49Å; W98-V102 PolarHBondContact O-N 3.01Å; W98-V102 VanDerWaalsContact O-N 3.09Å; W98-F181 HydrophobicContact CH2-CD1 4.32Å; W98-F181 AromaticContact CH2-CE1 3.67Å; W98-F181 HydrophobicContact CH2-CE1 3.67Å; W98-F181 AromaticContact CZ3-CD1 3.91Å; W98-F181 HydrophobicContact CZ3-CD1 3.91Å; W98-F181 AromaticContact CZ3-CE1 3.73Å; W98-F181 HydrophobicContact CZ3-CE1 3.73Å; W98-K185 HydrophobicContact CB-CB 4.32Å; W98-K185 HydrophobicContact CD2-CB 3.46Å; W98-K185 VanDerWaalsContact CD2-CB 3.46Å; W98-K185 HydrophobicContact CD2-CG 3.81Å; W98-K185 HydrophobicContact CE3-CB 3.92Å; W98-K185 HydrophobicContact CE3-CG 3.95Å; W98-K185 HydrophobicContact CG-CB 3.63Å; W98-K185 HydrophobicContact CG-CG 4.48Å; W98-K185 HydrophobicContact CH2-CG 4.06Å; W98-K185 HydrophobicContact CZ2-CB 4.36Å; W98-K185 HydrophobicContact CZ2-CD 4.06Å; W98-K185 HydrophobicContact CZ2-CG 3.89Å; W98-K185 HydrophobicContact CZ3-CG 4.08Å; W98-M186 HydrophobicContact CB-CG 3.59Å; W98-M186 HydrophobicContact CB-SD 4.4Å
99G97.9Very high98.2Very high25 Ų2549 Ų4926%0.25824%0.243SC..Hα-helixtrans-68.1-48.6177.300000111.5D97 C101 N103D97-G99 PolarHBondContact O-N 2.02Å; D97-G99 PolarHBondContact OD1-N 3.45Å; G99-C101 VanDerWaalsContact C-N 3.33Å; G99-N103 VanDerWaalsContact O-CG 3.27Å; G99-N103 PolarHBondContact O-N 3.4Å; G99-N103 PolarHBondContact O-ND2 3.17Å
100R98.4Very high98.1Very high75 Ų7554.7 Ų54.728%0.28327%0.269SS..Hα-helixtrans-64.2-39173.1-175.6-180171.8-155.7-9111.5E91 A92 D97 V102 N103 E104E91-R100 IonicContact OE2-CZ 3.38Å; E91-R100 IonicContact OE2-NH1 3.09Å; E91-R100 IonicContact OE2-NH2 3.36Å; E91-R100 PolarHBondContact OE2-NH2 2.92Å; A92-R100 HydrophobicContact CB-CB 3.94Å; A92-R100 HydrophobicContact CB-CG 3.76Å; D97-R100 HydrophobicContact CB-CB 4.09Å; D97-R100 PolarHBondContact O-N 3Å; D97-R100 WeakPolarHBondContact OD1-CB 3.32Å; D97-R100 PolarHBondContact OD1-N 3.44Å; D97-R100 VanDerWaalsContact OD2-CB 3.31Å; D97-R100 WeakPolarHBondContact OD2-CB 3.38Å; R100-V102 PolarHBondContact O-N 3.16Å; R100-N103 PolarHBondContact O-N 2.93Å; R100-E104 HydrophobicContact CG-CG 3.9Å; R100-E104 WeakPolarHBondContact O-CB 3.44Å; R100-E104 WeakPolarHBondContact O-CG 3.49Å; R100-E104 PolarHBondContact O-N 2.9Å
101C98.4Very high98.2Very high0 Ų055.6 Ų55.60%027%0.27CS..Hα-helixtrans-55.1-53.2177.5176.90000111.6A92 D97 W98 G99 N103 E104 F105 C182A92-C101 HydrophobicContact CB-CB 4.19Å; D97-C101 WeakPolarHBondContact O-CB 3.46Å; D97-C101 PolarHBondContact O-N 3.29Å; W98-C101 PolarHBondContact O-N 3.28Å; G99-C101 VanDerWaalsContact C-N 3.33Å; C101-N103 PolarHBondContact O-N 3.04Å; C101-E104 PolarHBondContact O-N 2.93Å; C101-F105 VanDerWaalsContact O-CD2 3.29Å; C101-F105 WeakPolarHBondContact O-CD2 2.98Å; C101-F105 PolarHBondContact O-N 3.29Å; C101-F105 WeakPolarHBondContact SG-CD2 3.03Å; C101-F105 VanDerWaalsContact SG-CE2 3.6Å; C101-C182 HydrophobicContact CB-CB 3.83Å; C101-C182 WeakPolarHBondContact CB-SG 3.27Å; C101-C182 WeakPolarHBondContact SG-CB 3.26Å; C101-C182 CovalentContact SG-SG 2.02Å; C101-C182 PolarHBondContact SG-SG 3.28Å
102V98.5Very high98.1Very high0 Ų051.7 Ų51.70%025%0.252CS..Hα-helixtrans-57.8-50.9178.5171.60000110.6W98 R100 E104 F105 E106 C182 M186W98-V102 WeakPolarHBondContact O-CG2 3.49Å; W98-V102 PolarHBondContact O-N 3.01Å; W98-V102 VanDerWaalsContact O-N 3.09Å; R100-V102 PolarHBondContact O-N 3.16Å; V102-E104 PolarHBondContact O-N 3.35Å; V102-F105 PolarHBondContact O-N 2.84Å; V102-E106 HydrophobicContact CG1-CG 4.17Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.46Å; V102-E106 WeakPolarHBondContact O-CB 3.3Å; V102-E106 WeakPolarHBondContact O-CG 3.4Å; V102-E106 PolarHBondContact O-N 3.38Å; V102-C182 HydrophobicContact CG2-CB 3.74Å; V102-M186 HydrophobicContact CB-SD 4.33Å; V102-M186 HydrophobicContact CG2-SD 3.69Å
103N98.4Very high98.1Very high97 Ų9752.3 Ų52.352%0.51926%0.255SS..Hα-helixtrans-61.7-42.9-176.6-66.3-19.5000112.9G99 R100 C101 S107G99-N103 VanDerWaalsContact O-CG 3.27Å; G99-N103 PolarHBondContact O-N 3.4Å; G99-N103 PolarHBondContact O-ND2 3.17Å; R100-N103 PolarHBondContact O-N 2.93Å; C101-N103 PolarHBondContact O-N 3.04Å; N103-S107 VanDerWaalsContact O-CB 3.3Å; N103-S107 WeakPolarHBondContact O-CB 3.34Å; N103-S107 PolarHBondContact O-N 3.32Å; N103-S107 VanDerWaalsContact O-N 3.09Å
104E98.6Very high98Very high27 Ų2752.2 Ų52.213%0.12626%0.259CS..Hα-helixtrans-70.8-40.1-178.9-68.7-64.7128.300111.4K85 N88 R100 C101 V102 S107 A108K85-E104 WeakPolarHBondContact CD-OE2 3.26Å; K85-E104 IonicContact NZ-OE1 4Å; K85-E104 PolarHBondContact NZ-OE1 3.17Å; K85-E104 IonicContact NZ-OE2 3.83Å; K85-E104 PolarHBondContact NZ-OE2 2.85Å; N88-E104 HydrophobicContact CB-CB 4.32Å; N88-E104 HydrophobicContact CB-CG 3.93Å; N88-E104 WeakPolarHBondContact CB-OE2 3.39Å; N88-E104 PolarHBondContact ND2-OE2 3.15Å; R100-E104 HydrophobicContact CG-CG 3.9Å; R100-E104 WeakPolarHBondContact O-CB 3.44Å; R100-E104 WeakPolarHBondContact O-CG 3.49Å; R100-E104 PolarHBondContact O-N 2.9Å; C101-E104 PolarHBondContact O-N 2.93Å; V102-E104 PolarHBondContact O-N 3.35Å; E104-S107 PolarHBondContact O-N 2.71Å; E104-A108 VanDerWaalsContact O-CB 3.32Å; E104-A108 WeakPolarHBondContact O-CB 3.4Å; E104-A108 PolarHBondContact O-N 2.84Å
105F98.5Very high98Very high0 Ų048.3 Ų48.30%024%0.237CC..Hα-helixtrans-73.8-35177.1-78.8-64.8000113.9F86 G89 V90 C101 V102 S107 A108 L109 Y178 L179F86-F105 HydrophobicContact CD1-CE1 4.18Å; F86-F105 HydrophobicContact CD2-CD1 4.01Å; F86-F105 AromaticContact CD2-CE1 3.77Å; F86-F105 HydrophobicContact CD2-CE1 3.77Å; F86-F105 HydrophobicContact CE1-CE1 4.17Å; F86-F105 HydrophobicContact CE2-CD1 4.19Å; F86-F105 AromaticContact CE2-CE1 3.76Å; F86-F105 HydrophobicContact CE2-CE1 3.76Å; F86-F105 HydrophobicContact CG-CD1 4.49Å; F86-F105 AromaticContact CG-CE1 3.99Å; F86-F105 HydrophobicContact CG-CE1 3.99Å; F86-F105 AromaticContact CZ-CE1 3.97Å; F86-F105 HydrophobicContact CZ-CE1 3.97Å; G89-F105 VanDerWaalsContact O-CE2 3.26Å; G89-F105 WeakPolarHBondContact O-CE2 3.33Å; V90-F105 HydrophobicContact CG2-CE1 4.3Å; V90-F105 HydrophobicContact CG2-CZ 3.81Å; C101-F105 VanDerWaalsContact O-CD2 3.29Å; C101-F105 WeakPolarHBondContact O-CD2 2.98Å; C101-F105 PolarHBondContact O-N 3.29Å; C101-F105 WeakPolarHBondContact SG-CD2 3.03Å; C101-F105 VanDerWaalsContact SG-CE2 3.6Å; V102-F105 PolarHBondContact O-N 2.84Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-A108 PolarHBondContact O-N 3.23Å; F105-L109 WeakPolarHBondContact O-CB 3.35Å; F105-L109 PolarHBondContact O-N 3.35Å; F105-Y178 HydrophobicContact CD2-CG 4.41Å; F105-Y178 AromaticContact CE1-CD2 3.69Å; F105-Y178 HydrophobicContact CE1-CD2 3.69Å; F105-Y178 HydrophobicContact CE1-CE2 4.41Å; F105-Y178 AromaticContact CE1-CG 3.81Å; F105-Y178 HydrophobicContact CE1-CG 3.81Å; F105-Y178 AromaticContact CE2-CD1 3.82Å; F105-Y178 HydrophobicContact CE2-CD1 3.82Å; F105-Y178 HydrophobicContact CE2-CD2 4.33Å; F105-Y178 AromaticContact CE2-CG 3.61Å; F105-Y178 HydrophobicContact CE2-CG 3.61Å; F105-Y178 VanDerWaalsContact CZ-CB 3.45Å; F105-Y178 AromaticContact CZ-CD1 3.63Å; F105-Y178 HydrophobicContact CZ-CD1 3.63Å; F105-Y178 AromaticContact CZ-CD2 3.52Å; F105-Y178 HydrophobicContact CZ-CD2 3.52Å; F105-Y178 HydrophobicContact CZ-CE1 4.23Å; F105-Y178 HydrophobicContact CZ-CE2 4.15Å; F105-Y178 AromaticContact CZ-CG 3.24Å; F105-Y178 HydrophobicContact CZ-CG 3.24Å; F105-L179 HydrophobicContact CB-CD1 4.44Å; F105-L179 HydrophobicContact CB-CD2 3.55Å; F105-L179 HydrophobicContact CB-CG 3.73Å
106E98.1Very high97.9Very high89 Ų8943.4 Ų43.442%0.41621%0.214SC..Hα-helixtrans-61.8-44.7171.4-75.2177.6172.300110.1V102 A108 L109 E110 L179 H183V102-E106 HydrophobicContact CG1-CG 4.17Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.46Å; V102-E106 WeakPolarHBondContact O-CB 3.3Å; V102-E106 WeakPolarHBondContact O-CG 3.4Å; V102-E106 PolarHBondContact O-N 3.38Å; E106-A108 PolarHBondContact O-N 2.91Å; E106-L109 PolarHBondContact O-N 3.39Å; E106-E110 PolarHBondContact O-N 3.48Å; E106-L179 HydrophobicContact CG-CD2 3.81Å; E106-H183 IonicContact OE1-CE1 2.97Å; E106-H183 IonicContact OE1-NE2 2.86Å
107S98.4Very high97.7Very high26 Ų2641.7 Ų41.718%0.18221%0.206CC..Hα-helixtrans-66.2-36.2175.7-169.90000112.7N103 E104 F105 K111N103-S107 VanDerWaalsContact O-CB 3.3Å; N103-S107 WeakPolarHBondContact O-CB 3.34Å; N103-S107 PolarHBondContact O-N 3.32Å; N103-S107 VanDerWaalsContact O-N 3.09Å; E104-S107 PolarHBondContact O-N 2.71Å; F105-S107 VanDerWaalsContact C-N 3.33Å; S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 VanDerWaalsContact O-CG 3.3Å; S107-K111 WeakPolarHBondContact O-CG 3.47Å; S107-K111 PolarHBondContact O-N 3.06Å
108A98.3Very high97.5Very high0 Ų043.4 Ų43.40%021%0.21CC..Hα-helixtrans-61.7-46.8174.200000110.8K85 F86 E104 F105 E106 K111 S112 H175K85-A108 HydrophobicContact CB-CB 3.64Å; F86-A108 HydrophobicContact CB-CB 4.16Å; E104-A108 VanDerWaalsContact O-CB 3.32Å; E104-A108 WeakPolarHBondContact O-CB 3.4Å; E104-A108 PolarHBondContact O-N 2.84Å; F105-A108 PolarHBondContact O-N 3.23Å; E106-A108 PolarHBondContact O-N 2.91Å; A108-K111 PolarHBondContact O-N 3.31Å; A108-S112 WeakPolarHBondContact O-CB 3.37Å; A108-S112 PolarHBondContact O-N 3.47Å; A108-S112 PolarHBondContact O-OG 3.36Å; A108-H175 WeakPolarHBondContact CB-NE2 3.44Å
109L98.1Very high97.2Very high22 Ų2241.9 Ų41.912%0.11521%0.207CC..Hα-helixtrans-61.6-49.1179.9-178.662.5000111.7F105 E106 K111 S112 I113 F172 H175 F176 L179F105-L109 WeakPolarHBondContact O-CB 3.35Å; F105-L109 PolarHBondContact O-N 3.35Å; E106-L109 PolarHBondContact O-N 3.39Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 2.85Å; L109-S112 WeakPolarHBondContact O-CB 3.49Å; L109-S112 PolarHBondContact O-N 2.83Å; L109-S112 VanDerWaalsContact O-N 3.17Å; L109-I113 HydrophobicContact CG-CD1 4.42Å; L109-I113 WeakPolarHBondContact O-CG1 3.24Å; L109-I113 PolarHBondContact O-N 2.88Å; L109-F172 HydrophobicContact CD1-CD1 3.75Å; L109-F172 HydrophobicContact CD1-CE1 3.69Å; L109-F172 HydrophobicContact CD1-CG 4.35Å; L109-F172 HydrophobicContact CD1-CZ 4.24Å; L109-H175 HydrophobicContact CD1-CB 4.24Å; L109-H175 PolarHBondContact N-CD2 2.91Å; L109-H175 PolarHBondContact N-NE2 3.49Å; L109-F176 HydrophobicContact CD1-CZ 4.4Å; L109-F176 HydrophobicContact CD2-CE1 3.55Å; L109-F176 HydrophobicContact CD2-CZ 3.84Å; L109-L179 HydrophobicContact CD2-CD1 4.36Å
110E97.9Very high97Very high120 Ų12042.6 Ų42.656%0.56120%0.202SC*.Hα-helixtrans-55.7-48.6176-177.7-169.1-178.500111E106 S112 I113 I114E106-E110 PolarHBondContact O-N 3.48Å; E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 3.08Å; E110-I113 WeakPolarHBondContact O-CB 3.1Å; E110-I113 PolarHBondContact O-N 3.08Å; E110-I114 HydrophobicContact CG-CD1 4.41Å; E110-I114 WeakPolarHBondContact O-CG1 3.17Å; E110-I114 PolarHBondContact O-N 3.27Å; E110-I114 VanDerWaalsContact O-N 3.12Å
111K98.1Very high96.7Very high52 Ų5244.3 Ų44.323%0.22622%0.216CC..Hα-helixtrans-67-34.2179.1-73.8170.6171.1-65.40112.2D81 H82 K85 S107 A108 L109 I113 I114 Q115D81-K111 HydrophobicContact CB-CD 3.66Å; D81-K111 IonicContact OD2-NZ 2.93Å; D81-K111 PolarHBondContact OD2-NZ 3.45Å; H82-K111 HydrophobicContact CB-CB 3.68Å; K85-K111 HydrophobicContact CG-CD 3.78Å; S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 VanDerWaalsContact O-CG 3.3Å; S107-K111 WeakPolarHBondContact O-CG 3.47Å; S107-K111 PolarHBondContact O-N 3.06Å; A108-K111 PolarHBondContact O-N 3.31Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 2.85Å; K111-I113 VanDerWaalsContact C-N 3.34Å; K111-I114 PolarHBondContact O-N 3.38Å; K111-Q115 VanDerWaalsContact O-CG 3.26Å; K111-Q115 WeakPolarHBondContact O-CG 3.32Å; K111-Q115 PolarHBondContact O-N 3Å
112S97.4Very high96.2Very high0 Ų048 Ų480%024%0.236CC..Hα-helixtrans-62.9-40.6174.1-78.20000111.6H82 A108 L109 E110 Q115 D116H82-S112 PolarHBondContact CD2-OG 3.48Å; H82-S112 VanDerWaalsContact CD2-OG 3.25Å; A108-S112 WeakPolarHBondContact O-CB 3.37Å; A108-S112 PolarHBondContact O-N 3.47Å; A108-S112 PolarHBondContact O-OG 3.36Å; L109-S112 WeakPolarHBondContact O-CB 3.49Å; L109-S112 PolarHBondContact O-N 2.83Å; L109-S112 VanDerWaalsContact O-N 3.17Å; E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 3.08Å; S112-Q115 PolarHBondContact O-N 3.43Å; S112-D116 PolarHBondContact O-N 3.03Å
113I97.3Very high95.7Very high14 Ų1448.1 Ų48.17%0.07224%0.236CC..Hα-helixtrans-61.2-46.8174.5-65.9165.3000110.3L109 E110 K111 Q115 D116 E117 F172 E230 I234L109-I113 HydrophobicContact CG-CD1 4.42Å; L109-I113 WeakPolarHBondContact O-CG1 3.24Å; L109-I113 PolarHBondContact O-N 2.88Å; E110-I113 WeakPolarHBondContact O-CB 3.1Å; E110-I113 PolarHBondContact O-N 3.08Å; K111-I113 VanDerWaalsContact C-N 3.34Å; I113-Q115 VanDerWaalsContact C-N 3.3Å; I113-Q115 PolarHBondContact O-N 2.76Å; I113-D116 WeakPolarHBondContact O-CB 3.35Å; I113-D116 PolarHBondContact O-N 2.97Å; I113-E117 WeakPolarHBondContact O-CG 3.03Å; I113-E117 PolarHBondContact O-N 2.61Å; I113-F172 HydrophobicContact CD1-CE1 4.34Å; I113-F172 HydrophobicContact CD1-CZ 4.49Å; I113-F172 HydrophobicContact CG1-CE1 4.03Å; I113-F172 HydrophobicContact CG1-CZ 3.7Å; I113-E230 HydrophobicContact CD1-CG 4.25Å; I113-I234 HydrophobicContact CD1-CD1 3.96Å; I113-I234 HydrophobicContact CG1-CD1 3.84Å; I113-I234 HydrophobicContact CG2-CD1 4.42Å
114I96.9Very high94.9Very high68 Ų6848.6 Ų48.635%0.34924%0.236SC..Hα-helixtrans-60.8-39.1177-65.1167.4000111.6E110 K111 K118E110-I114 HydrophobicContact CG-CD1 4.41Å; E110-I114 WeakPolarHBondContact O-CG1 3.17Å; E110-I114 PolarHBondContact O-N 3.27Å; E110-I114 VanDerWaalsContact O-N 3.12Å; K111-I114 PolarHBondContact O-N 3.38Å; I114-K118 HydrophobicContact CG2-CD 4.41Å; I114-K118 WeakPolarHBondContact O-CG 3.47Å; I114-K118 PolarHBondContact O-N 3.36Å; I114-K118 VanDerWaalsContact O-N 3.1Å
115Q95.8Very high93.8Very high33 Ų3353.7 Ų53.715%0.15426%0.264CS..Hα-helixtrans-71.9-33.7177.8-67.4-63.6-32.100112.4K111 S112 I113 K118 C119 L160K111-Q115 VanDerWaalsContact O-CG 3.26Å; K111-Q115 WeakPolarHBondContact O-CG 3.32Å; K111-Q115 PolarHBondContact O-N 3Å; S112-Q115 PolarHBondContact O-N 3.43Å; I113-Q115 VanDerWaalsContact C-N 3.3Å; I113-Q115 PolarHBondContact O-N 2.76Å; Q115-K118 PolarHBondContact O-N 3.25Å; Q115-C119 WeakPolarHBondContact O-CB 3.43Å; Q115-C119 PolarHBondContact O-N 3.01Å; Q115-L160 HydrophobicContact CB-CD1 3.84Å; Q115-L160 HydrophobicContact CB-CD2 3.91Å
116D96Very high92.5Very high3 Ų355.3 Ų55.32%0.01627%0.271CS..Hα-helixtrans-60.1-49.3171.9-176.556.9000110S112 I113 K118 C119 R120 C156 L157 L160 R237S112-D116 PolarHBondContact O-N 3.03Å; I113-D116 WeakPolarHBondContact O-CB 3.35Å; I113-D116 PolarHBondContact O-N 2.97Å; D116-K118 PolarHBondContact O-N 2.75Å; D116-C119 WeakPolarHBondContact O-CB 3.31Å; D116-C119 PolarHBondContact O-N 3.29Å; D116-C119 VanDerWaalsContact O-N 3.15Å; D116-R120 VanDerWaalsContact O-CG 3.25Å; D116-R120 WeakPolarHBondContact O-CG 3.33Å; D116-R120 PolarHBondContact O-N 2.81Å; D116-R120 WeakPolarHBondContact OD2-CD 3.48Å; D116-C156 WeakPolarHBondContact OD1-CB 3.26Å; D116-L157 HydrophobicContact CB-CD2 3.6Å; D116-L157 VanDerWaalsContact CG-CD2 3.44Å; D116-L157 VanDerWaalsContact OD1-CD2 3.27Å; D116-L157 WeakPolarHBondContact OD1-CD2 3.29Å; D116-L157 WeakPolarHBondContact OD1-CG 3.12Å; D116-L160 HydrophobicContact CB-CD1 4.13Å; D116-R237 IonicContact OD2-NH2 3.17Å; D116-R237 PolarHBondContact OD2-NH2 2.73Å
117E95.2Very high91.1Very high98 Ų9853.4 Ų53.446%0.45826%0.263SS..Hα-helixtrans-59.1-45.4177.7-69.4-177.2164.600112.6I113 C119 R120 L121I113-E117 WeakPolarHBondContact O-CG 3.03Å; I113-E117 PolarHBondContact O-N 2.61Å; E117-C119 VanDerWaalsContact C-N 3.33Å; E117-C119 PolarHBondContact O-N 3.26Å; E117-R120 PolarHBondContact O-N 2.84Å; E117-L121 WeakPolarHBondContact O-CG 3.12Å; E117-L121 PolarHBondContact O-N 3.07Å
118K93.3Very high89.7Confident109 Ų10955.3 Ų55.347%0.47427%0.271SS..Hα-helixtrans-60.2-43.5175.3-73.1174.9-177.5178.20111.9I114 Q115 D116 R120 L121 L122I114-K118 HydrophobicContact CG2-CD 4.41Å; I114-K118 WeakPolarHBondContact O-CG 3.47Å; I114-K118 PolarHBondContact O-N 3.36Å; I114-K118 VanDerWaalsContact O-N 3.1Å; Q115-K118 PolarHBondContact O-N 3.25Å; D116-K118 PolarHBondContact O-N 2.75Å; K118-R120 VanDerWaalsContact C-N 3.35Å; K118-L121 PolarHBondContact O-N 2.77Å; K118-L122 WeakPolarHBondContact O-CG 3.37Å; K118-L122 PolarHBondContact O-N 2.85Å; K118-L122 VanDerWaalsContact O-N 3.14Å
119C92.3Very high88.3Confident22 Ų2263.3 Ų63.315%0.14930%0.301CS..Hα-helixtrans-61.5-44.2176.3174.40000111.5Q115 D116 E117 L121 L122 C123 C156Q115-C119 WeakPolarHBondContact O-CB 3.43Å; Q115-C119 PolarHBondContact O-N 3.01Å; D116-C119 WeakPolarHBondContact O-CB 3.31Å; D116-C119 PolarHBondContact O-N 3.29Å; D116-C119 VanDerWaalsContact O-N 3.15Å; E117-C119 VanDerWaalsContact C-N 3.33Å; E117-C119 PolarHBondContact O-N 3.26Å; C119-L121 PolarHBondContact O-N 3.4Å; C119-L122 WeakPolarHBondContact O-CB 3.31Å; C119-L122 PolarHBondContact O-N 3.09Å; C119-C123 PolarHBondContact O-N 3.49Å; C119-C123 VanDerWaalsContact O-N 3.12Å; C119-C123 PolarHBondContact O-SG 3.25Å; C119-C123 VanDerWaalsContact O-SG 3.37Å; C119-C156 HydrophobicContact CB-CB 3.63Å; C119-C156 WeakPolarHBondContact CB-SG 3.12Å; C119-C156 WeakPolarHBondContact SG-CA 3.34Å; C119-C156 WeakPolarHBondContact SG-CB 3.48Å; C119-C156 CovalentContact SG-SG 2.04Å; C119-C156 PolarHBondContact SG-SG 2.83Å
120R93.6Very high86.7Confident40 Ų4066 Ų6615%0.15132%0.322CS..Hα-helixtrans-63.8-40.8179.5-6817585-91.6-9.5111.9D116 E117 K118 L122 C123 E153 C156 E241D116-R120 VanDerWaalsContact O-CG 3.25Å; D116-R120 WeakPolarHBondContact O-CG 3.33Å; D116-R120 PolarHBondContact O-N 2.81Å; D116-R120 WeakPolarHBondContact OD2-CD 3.48Å; E117-R120 PolarHBondContact O-N 2.84Å; K118-R120 VanDerWaalsContact C-N 3.35Å; R120-L122 VanDerWaalsContact C-N 3.33Å; R120-L122 PolarHBondContact O-N 3.28Å; R120-C123 VanDerWaalsContact O-CB 3.32Å; R120-C123 WeakPolarHBondContact O-CB 3.37Å; R120-C123 PolarHBondContact O-N 2.91Å; R120-C123 VanDerWaalsContact O-N 3.09Å; R120-E153 HydrophobicContact CB-CG 4.19Å; R120-E153 HydrophobicContact CG-CB 4.1Å; R120-E153 HydrophobicContact CG-CG 4.3Å; R120-E153 IonicContact NH2-OE1 3.44Å; R120-C156 HydrophobicContact CG-CB 4.25Å; R120-C156 PolarHBondContact N-SG 2.96Å; R120-E241 IonicContact CZ-OE1 3.55Å; R120-E241 IonicContact NE-OE1 3.94Å; R120-E241 IonicContact NH2-OE1 2.81Å; R120-E241 PolarHBondContact NH2-OE1 3.23Å
121L91.3Very high85Confident110 Ų11061.4 Ų61.458%0.57630%0.302SS*.Hα-helixtrans-58.7-45.2173-70.9171.4000111.5E117 K118 C119 C123 Q124E117-L121 WeakPolarHBondContact O-CG 3.12Å; E117-L121 PolarHBondContact O-N 3.07Å; K118-L121 PolarHBondContact O-N 2.77Å; C119-L121 PolarHBondContact O-N 3.4Å; L121-C123 PolarHBondContact O-N 3.33Å; L121-Q124 WeakPolarHBondContact O-CB 3.31Å; L121-Q124 PolarHBondContact O-N 3.43Å; L121-Q124 VanDerWaalsContact O-N 3.13Å
122L87.4Confident83.5Confident79 Ų7961.6 Ų61.641%0.41431%0.307SS..Hα-helixtrans-64.1-22.4177-68.2172.4000113.4K118 C119 R120 Q124 K126K118-L122 WeakPolarHBondContact O-CG 3.37Å; K118-L122 PolarHBondContact O-N 2.85Å; K118-L122 VanDerWaalsContact O-N 3.14Å; C119-L122 WeakPolarHBondContact O-CB 3.31Å; C119-L122 PolarHBondContact O-N 3.09Å; R120-L122 VanDerWaalsContact C-N 3.33Å; R120-L122 PolarHBondContact O-N 3.28Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-K126 WeakPolarHBondContact O-CD 3.31Å; L122-K126 WeakPolarHBondContact O-CE 3.3Å; L122-K126 VanDerWaalsContact O-CG 3.23Å; L122-K126 WeakPolarHBondContact O-CG 3.45Å
123C88.4Confident81.7Confident1 Ų169.1 Ų69.11%0.00735%0.347CS..Hα-helixtrans-71.6-26.5176.3-70.10000112.9C119 R120 L121 D125 K126 C152 E153C119-C123 PolarHBondContact O-N 3.49Å; C119-C123 VanDerWaalsContact O-N 3.12Å; C119-C123 PolarHBondContact O-SG 3.25Å; C119-C123 VanDerWaalsContact O-SG 3.37Å; R120-C123 VanDerWaalsContact O-CB 3.32Å; R120-C123 WeakPolarHBondContact O-CB 3.37Å; R120-C123 PolarHBondContact O-N 2.91Å; R120-C123 VanDerWaalsContact O-N 3.09Å; L121-C123 PolarHBondContact O-N 3.33Å; C123-D125 VanDerWaalsContact C-N 3.26Å; C123-D125 PolarHBondContact O-N 3.48Å; C123-K126 PolarHBondContact O-N 3.36Å; C123-C152 VanDerWaalsContact CA-SG 3.56Å; C123-C152 HydrophobicContact CB-CB 3.55Å; C123-C152 WeakPolarHBondContact CB-SG 3.44Å; C123-C152 WeakPolarHBondContact SG-CB 2.79Å; C123-C152 PolarHBondContact SG-O 2.92Å; C123-C152 VanDerWaalsContact SG-O 3.4Å; C123-C152 CovalentContact SG-SG 2.04Å; C123-C152 PolarHBondContact SG-SG 3.48Å; C123-E153 HydrophobicContact CB-CG 3.85Å; C123-E153 PolarHBondContact SG-N 2.9Å; C123-E153 VanDerWaalsContact SG-N 3.44Å
124Q83Confident79.7Confident108 Ų10871.1 Ų71.151%0.50537%0.372SS..Hα-helixtrans-68-30.5178-60.4-178.7-2.900111.8L121 L122 K126 V149L121-Q124 WeakPolarHBondContact O-CB 3.31Å; L121-Q124 PolarHBondContact O-N 3.43Å; L121-Q124 VanDerWaalsContact O-N 3.13Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; Q124-K126 VanDerWaalsContact C-N 3.32Å; Q124-V149 HydrophobicContact CG-CG1 4.45Å
125D75.3Confident77.9Confident133 Ų13369.4 Ų69.471%0.71136%0.363SS*.THydrogen-bonded Turntrans-84.7-3.8176.7-66.1-28.3000113.4C123C123-D125 VanDerWaalsContact C-N 3.26Å; C123-D125 PolarHBondContact O-N 3.48Å
126K71.1Confident76.4Confident34 Ų3473.7 Ų73.715%0.14839%0.394CS..  trans-113.359-174.1-68.4172.9-169.5162.20112M11 Y14 L122 C123 Q124 D128M11-K126 HydrophobicContact CE-CB 4.36Å; M11-K126 HydrophobicContact CE-CG 3.9Å; M11-K126 HydrophobicContact SD-CG 4.09Å; Y14-K126 HydrophobicContact CE1-CD 4.24Å; Y14-K126 PolarHBondContact OH-NZ 3.42Å; L122-K126 WeakPolarHBondContact O-CD 3.31Å; L122-K126 WeakPolarHBondContact O-CE 3.3Å; L122-K126 VanDerWaalsContact O-CG 3.23Å; L122-K126 WeakPolarHBondContact O-CG 3.45Å; C123-K126 PolarHBondContact O-N 3.36Å; Q124-K126 VanDerWaalsContact C-N 3.32Å; K126-D128 PolarHBondContact O-N 2.98Å
127I69.3Low75.4Confident50 Ų5078.9 Ų78.926%0.25642%0.418SS..  trans-68.2125.5170-58.4177.6000108.4W129 M145 V149I127-W129 HydrophobicContact CB-CZ2 4.3Å; I127-W129 HydrophobicContact CD1-CZ2 4.4Å; I127-W129 HydrophobicContact CG2-CD2 4.38Å; I127-W129 HydrophobicContact CG2-CZ2 4.44Å; I127-W129 PolarHBondContact O-N 2.92Å; I127-W129 PolarHBondContact O-NE1 3.47Å; I127-M145 HydrophobicContact CG2-CB 4.49Å; I127-M145 HydrophobicContact CG2-CG 4.01Å; I127-M145 HydrophobicContact CG2-SD 4.27Å; I127-V149 HydrophobicContact CG1-CG2 4.46Å
128D67.7Low74.7Confident65 Ų6580.4 Ų80.435%0.34843%0.428SS..  trans-75.1101.9171-176.25.5000109.3K126 S130 V131 S148K126-D128 PolarHBondContact O-N 2.98Å; D128-S130 PolarHBondContact O-N 3.05Å; D128-S130 PolarHBondContact OD1-N 3.23Å; D128-S130 VanDerWaalsContact OD1-N 3.12Å; D128-S130 PolarHBondContact OD1-OG 3.37Å; D128-S130 PolarHBondContact OD2-OG 3.46Å; D128-V131 HydrophobicContact CB-CG2 4.26Å; D128-V131 WeakPolarHBondContact O-CB 3.36Å; D128-V131 VanDerWaalsContact O-CG2 3.31Å; D128-V131 WeakPolarHBondContact O-CG2 3.25Å; D128-V131 PolarHBondContact O-N 2.88Å; D128-S148 WeakPolarHBondContact CB-OG 3.49Å
129W68.7Low73.9Confident169 Ų16979.5 Ų79.564%0.6443%0.428SS*.G310 helixtrans-73.8-12-177.5-64.298.4000113.3I127 V131 V132 M145I127-W129 HydrophobicContact CB-CZ2 4.3Å; I127-W129 HydrophobicContact CD1-CZ2 4.4Å; I127-W129 HydrophobicContact CG2-CD2 4.38Å; I127-W129 HydrophobicContact CG2-CZ2 4.44Å; I127-W129 PolarHBondContact O-N 2.92Å; I127-W129 PolarHBondContact O-NE1 3.47Å; W129-V131 PolarHBondContact O-N 3.11Å; W129-V131 VanDerWaalsContact O-N 3.16Å; W129-V132 HydrophobicContact CE3-CG2 3.67Å; W129-V132 HydrophobicContact CZ3-CG2 4.29Å; W129-V132 WeakPolarHBondContact O-CB 3.17Å; W129-V132 WeakPolarHBondContact O-CG2 3.25Å; W129-V132 PolarHBondContact O-N 3.47Å; W129-M145 HydrophobicContact CE3-CE 4.3Å; W129-M145 HydrophobicContact CZ3-CE 3.95Å
130S65.8Low73.2Confident78 Ų7878.9 Ų78.955%0.54542%0.423SS..G310 helixtrans-64.7-19.3174.172.30000112.3D128 V132 D133D128-S130 PolarHBondContact O-N 3.05Å; D128-S130 PolarHBondContact OD1-N 3.23Å; D128-S130 VanDerWaalsContact OD1-N 3.12Å; D128-S130 PolarHBondContact OD1-OG 3.37Å; D128-S130 PolarHBondContact OD2-OG 3.46Å; S130-V132 PolarHBondContact O-N 3.45Å; S130-D133 PolarHBondContact O-N 3.29Å
131V62.5Low72.5Confident23 Ų2378.7 Ų78.714%0.13943%0.425CS..G310 helixtrans-63.7-22.6172.4178.90000112.1D128 W129 N135 L141D128-V131 HydrophobicContact CB-CG2 4.26Å; D128-V131 WeakPolarHBondContact O-CB 3.36Å; D128-V131 VanDerWaalsContact O-CG2 3.31Å; D128-V131 WeakPolarHBondContact O-CG2 3.25Å; D128-V131 PolarHBondContact O-N 2.88Å; W129-V131 PolarHBondContact O-N 3.11Å; W129-V131 VanDerWaalsContact O-N 3.16Å; V131-N135 WeakPolarHBondContact CG1-ND2 3.36Å; V131-N135 PolarHBondContact O-ND2 2.92Å; V131-L141 HydrophobicContact CG1-CD1 4.42Å
132V64.8Low72.2Confident57 Ų5778.6 Ų78.635%0.34543%0.425SS..THydrogen-bonded Turntrans-77.3-35.1-179.3-172.90000112.2W129 S130 G134 L141 M145W129-V132 HydrophobicContact CE3-CG2 3.67Å; W129-V132 HydrophobicContact CZ3-CG2 4.29Å; W129-V132 WeakPolarHBondContact O-CB 3.17Å; W129-V132 WeakPolarHBondContact O-CG2 3.25Å; W129-V132 PolarHBondContact O-N 3.47Å; S130-V132 PolarHBondContact O-N 3.45Å; V132-G134 PolarHBondContact O-N 2.83Å; V132-L141 HydrophobicContact CB-CD1 4.21Å; V132-L141 HydrophobicContact CG1-CD1 4.39Å; V132-L141 HydrophobicContact CG2-CD1 3.95Å; V132-M145 HydrophobicContact CG2-CE 3.52Å
133D59.6Low72Confident157 Ų15775.8 Ų75.884%0.8441%0.413SS*.THydrogen-bonded Turntrans-76.2-9.7-173.7-70.5-24000113.4S130S130-D133 PolarHBondContact O-N 3.29Å
134G56.6Low71.8Confident56 Ų5676.7 Ų76.758%0.57742%0.419SS*.THydrogen-bonded Turntrans-117-6.4-174.200000116.7V132V132-G134 PolarHBondContact O-N 2.83Å
135N59.5Low71.9Confident32 Ų3273 Ų7317%0.17140%0.402CS..  trans-117.8110.5-171.9-70.9-48.7000111.6V131 I140 L141V131-N135 WeakPolarHBondContact CG1-ND2 3.36Å; V131-N135 PolarHBondContact O-ND2 2.92Å; N135-I140 HydrophobicContact CB-CB 4.43Å; N135-I140 HydrophobicContact CB-CG2 4.1Å; N135-I140 WeakPolarHBondContact OD1-CG2 3.28Å; N135-L141 HydrophobicContact CB-CB 4.49Å
136P63.4Low72.5Confident123 Ų12372.5 Ų72.580%0.79939%0.391SS*.  trans-77.8-17.9-176.328.7-32.1000113.8
137E75.8Confident73.4Confident112 Ų11271.6 Ų71.652%0.52339%0.389SS..SBendtrans-112.7140.3-175-56.2-173.7165.100112.2D139 I140 L141E137-D139 WeakPolarHBondContact CB-OD1 3.12Å; E137-D139 PolarHBondContact O-N 3.47Å; E137-I140 HydrophobicContact CB-CD1 4Å; E137-I140 HydrophobicContact CB-CG1 4.15Å; E137-I140 HydrophobicContact CG-CD1 4.41Å; E137-I140 PolarHBondContact O-N 3.44Å; E137-L141 WeakPolarHBondContact O-CB 3.16Å; E137-L141 PolarHBondContact O-N 3.19Å
138I79.5Confident74.3Confident130 Ų13069.8 Ų69.867%0.66738%0.381SS*.Hα-helixtrans-68-32.5-170-167.6167.6000113.3L142I138-L142 HydrophobicContact CG1-CD1 4.28Å; I138-L142 HydrophobicContact CG1-CG 4.49Å; I138-L142 WeakPolarHBondContact O-CB 3.31Å; I138-L142 VanDerWaalsContact O-CG 3.24Å; I138-L142 WeakPolarHBondContact O-CG 3.48Å; I138-L142 PolarHBondContact O-N 3.44Å
139D76.3Confident75.4Confident90 Ų9067.5 Ų67.548%0.48137%0.369SS..Hα-helixtrans-68.3-45.2176.257.2-25.7000111.5E137 L141 L142 A143E137-D139 WeakPolarHBondContact CB-OD1 3.12Å; E137-D139 PolarHBondContact O-N 3.47Å; D139-L141 VanDerWaalsContact C-N 3.3Å; D139-L141 PolarHBondContact O-N 3.22Å; D139-L142 PolarHBondContact O-N 2.86Å; D139-A143 VanDerWaalsContact O-CB 3.27Å; D139-A143 WeakPolarHBondContact O-CB 3.33Å; D139-A143 PolarHBondContact O-N 3.09Å
140I78.3Confident76.7Confident9 Ų959.8 Ų59.85%0.04634%0.341CS..Hα-helixtrans-60.8-43.4174-54.6177.5000110.2N135 E137 S144 L259N135-I140 HydrophobicContact CB-CB 4.43Å; N135-I140 HydrophobicContact CB-CG2 4.1Å; N135-I140 WeakPolarHBondContact OD1-CG2 3.28Å; E137-I140 HydrophobicContact CB-CD1 4Å; E137-I140 HydrophobicContact CB-CG1 4.15Å; E137-I140 HydrophobicContact CG-CD1 4.41Å; E137-I140 PolarHBondContact O-N 3.44Å; I140-S144 WeakPolarHBondContact O-CB 3.44Å; I140-S144 PolarHBondContact O-N 3.38Å; I140-S144 PolarHBondContact O-OG 3.4Å; I140-L259 HydrophobicContact CD1-CD1 3.56Å; I140-L259 HydrophobicContact CD1-CG 4.25Å; I140-L259 HydrophobicContact CG1-CD1 3.91Å
141L79.5Confident78Confident36 Ų3661.6 Ų61.619%0.18834%0.335CS..Hα-helixtrans-59.3-52.7177.6-177.365.8000111.9V131 V132 N135 E137 D139 A143 S144 M145V131-L141 HydrophobicContact CG1-CD1 4.42Å; V132-L141 HydrophobicContact CB-CD1 4.21Å; V132-L141 HydrophobicContact CG1-CD1 4.39Å; V132-L141 HydrophobicContact CG2-CD1 3.95Å; N135-L141 HydrophobicContact CB-CB 4.49Å; E137-L141 WeakPolarHBondContact O-CB 3.16Å; E137-L141 PolarHBondContact O-N 3.19Å; D139-L141 VanDerWaalsContact C-N 3.3Å; D139-L141 PolarHBondContact O-N 3.22Å; L141-A143 PolarHBondContact O-N 3.04Å; L141-S144 PolarHBondContact O-N 2.93Å; L141-M145 HydrophobicContact CD1-CE 3.78Å; L141-M145 HydrophobicContact CD2-CE 4.28Å; L141-M145 HydrophobicContact CG-CE 3.92Å; L141-M145 WeakPolarHBondContact O-CG 3.09Å; L141-M145 PolarHBondContact O-N 3.28Å
142L83.3Confident79.4Confident109 Ų10961.7 Ų61.757%0.57134%0.337SS*.Hα-helixtrans-63.1-43.1-179.3-73.3172.3000111.9I138 D139 M145 R146I138-L142 HydrophobicContact CG1-CD1 4.28Å; I138-L142 HydrophobicContact CG1-CG 4.49Å; I138-L142 WeakPolarHBondContact O-CB 3.31Å; I138-L142 VanDerWaalsContact O-CG 3.24Å; I138-L142 WeakPolarHBondContact O-CG 3.48Å; I138-L142 PolarHBondContact O-N 3.44Å; D139-L142 PolarHBondContact O-N 2.86Å; L142-M145 PolarHBondContact O-N 3.03Å; L142-R146 PolarHBondContact O-N 3.22Å
143A84.3Confident80.8Confident19 Ų1959.3 Ų59.316%0.15732%0.322CS..Hα-helixtrans-63.5-45.4178.800000110.8D139 L141 R146 A147 M248 F252D139-A143 VanDerWaalsContact O-CB 3.27Å; D139-A143 WeakPolarHBondContact O-CB 3.33Å; D139-A143 PolarHBondContact O-N 3.09Å; L141-A143 PolarHBondContact O-N 3.04Å; A143-R146 PolarHBondContact O-N 2.91Å; A143-A147 WeakPolarHBondContact O-CB 3.34Å; A143-A147 PolarHBondContact O-N 2.97Å; A143-M248 HydrophobicContact CB-CE 3.59Å; A143-M248 HydrophobicContact CB-SD 4.34Å; A143-M248 WeakPolarHBondContact O-CE 3.4Å; A143-F252 HydrophobicContact CB-CD1 3.85Å; A143-F252 HydrophobicContact CB-CE1 3.76Å; A143-F252 HydrophobicContact CB-CG 4.48Å; A143-F252 HydrophobicContact CB-CZ 4.34Å
144S83.3Confident82.5Confident20 Ų2053.4 Ų53.414%0.1429%0.289CS..Hα-helixtrans-65.8-39.8179-59.50000112.6I140 L141 A147 S148I140-S144 WeakPolarHBondContact O-CB 3.44Å; I140-S144 PolarHBondContact O-N 3.38Å; I140-S144 PolarHBondContact O-OG 3.4Å; L141-S144 PolarHBondContact O-N 2.93Å; S144-A147 PolarHBondContact O-N 2.83Å; S144-S148 PolarHBondContact O-N 2.69Å
145M84.7Confident84.3Confident32 Ų3254 Ų5416%0.15828%0.279CS..Hα-helixtrans-60.4-46172.3-74.7-176.317900111.4I127 W129 V132 L141 L142 A147 S148 V149I127-M145 HydrophobicContact CG2-CB 4.49Å; I127-M145 HydrophobicContact CG2-CG 4.01Å; I127-M145 HydrophobicContact CG2-SD 4.27Å; W129-M145 HydrophobicContact CE3-CE 4.3Å; W129-M145 HydrophobicContact CZ3-CE 3.95Å; V132-M145 HydrophobicContact CG2-CE 3.52Å; L141-M145 HydrophobicContact CD1-CE 3.78Å; L141-M145 HydrophobicContact CD2-CE 4.28Å; L141-M145 HydrophobicContact CG-CE 3.92Å; L141-M145 WeakPolarHBondContact O-CG 3.09Å; L141-M145 PolarHBondContact O-N 3.28Å; L142-M145 PolarHBondContact O-N 3.03Å; M145-A147 PolarHBondContact O-N 3.05Å; M145-S148 WeakPolarHBondContact O-CB 3.26Å; M145-S148 PolarHBondContact O-N 3.44Å; M145-V149 PolarHBondContact O-N 3.46Å; M145-V149 VanDerWaalsContact O-N 3.14Å
146R88.9Confident86Confident122 Ų12252.4 Ų52.446%0.4627%0.271SS..Hα-helixtrans-63.8-42.4178.3-178.557.2-179.6132.72.5111.7L142 A143 S148 V149 I150 E153 F244L142-R146 PolarHBondContact O-N 3.22Å; A143-R146 PolarHBondContact O-N 2.91Å; R146-S148 VanDerWaalsContact C-N 3.32Å; R146-S148 PolarHBondContact O-N 2.85Å; R146-V149 PolarHBondContact O-N 3.26Å; R146-I150 HydrophobicContact CG-CD1 4.02Å; R146-I150 VanDerWaalsContact CZ-CD1 3.41Å; R146-I150 WeakPolarHBondContact O-CG1 3.14Å; R146-I150 PolarHBondContact O-N 2.92Å; R146-E153 IonicContact NH1-OE2 3.45Å; R146-E153 PolarHBondContact NH1-OE2 3.43Å; R146-F244 HydrophobicContact CG-CE1 4.47Å; R146-F244 HydrophobicContact CG-CZ 4.17Å
147A90Very high87.4Confident14 Ų1447.1 Ų47.112%0.11624%0.235CC..Hα-helixtrans-60.7-40.3175.200000112.1A143 S144 M145 V149 I150 R151 F244 M248A143-A147 WeakPolarHBondContact O-CB 3.34Å; A143-A147 PolarHBondContact O-N 2.97Å; S144-A147 PolarHBondContact O-N 2.83Å; M145-A147 PolarHBondContact O-N 3.05Å; A147-V149 PolarHBondContact O-N 2.87Å; A147-I150 PolarHBondContact O-N 3.06Å; A147-R151 WeakPolarHBondContact O-CB 3.31Å; A147-R151 PolarHBondContact O-N 2.91Å; A147-F244 HydrophobicContact CB-CE1 4.21Å; A147-M248 HydrophobicContact CB-CB 4.09Å; A147-M248 HydrophobicContact CB-CE 3.93Å; A147-M248 HydrophobicContact CB-CG 3.89Å
148S87.6Confident88.2Confident13 Ų1347.1 Ų47.19%0.09123%0.231CC..Hα-helixtrans-59.8-45.4175.2-172.10000112.2D128 S144 M145 R146 R151 C152D128-S148 WeakPolarHBondContact CB-OG 3.49Å; S144-S148 PolarHBondContact O-N 2.69Å; M145-S148 WeakPolarHBondContact O-CB 3.26Å; M145-S148 PolarHBondContact O-N 3.44Å; R146-S148 VanDerWaalsContact C-N 3.32Å; R146-S148 PolarHBondContact O-N 2.85Å; S148-R151 PolarHBondContact O-N 3.43Å; S148-C152 PolarHBondContact O-N 3.37Å; S148-C152 VanDerWaalsContact O-N 3.08Å
149V91.8Very high88.7Confident16 Ų1645.9 Ų45.910%0.09722%0.221CC..Hα-helixtrans-63.9-49.5177176.20000110.8Q124 I127 M145 R146 A147 R151 C152 E153Q124-V149 HydrophobicContact CG-CG1 4.45Å; I127-V149 HydrophobicContact CG1-CG2 4.46Å; M145-V149 PolarHBondContact O-N 3.46Å; M145-V149 VanDerWaalsContact O-N 3.14Å; R146-V149 PolarHBondContact O-N 3.26Å; A147-V149 PolarHBondContact O-N 2.87Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 3.04Å; V149-C152 WeakPolarHBondContact O-CB 3.37Å; V149-C152 PolarHBondContact O-N 2.93Å; V149-C152 VanDerWaalsContact O-N 3.12Å; V149-E153 HydrophobicContact CG1-CG 4.31Å; V149-E153 WeakPolarHBondContact O-CG 3.46Å; V149-E153 PolarHBondContact O-N 3.34Å
150I94.6Very high89.5Confident8 Ų842 Ų424%0.04120%0.2CC..Hα-helixtrans-60-40.3179.2-69.9176.3000111.1R146 A147 C152 E153 H154 E241 F244 L245R146-I150 HydrophobicContact CG-CD1 4.02Å; R146-I150 VanDerWaalsContact CZ-CD1 3.41Å; R146-I150 WeakPolarHBondContact O-CG1 3.14Å; R146-I150 PolarHBondContact O-N 2.92Å; A147-I150 PolarHBondContact O-N 3.06Å; I150-C152 VanDerWaalsContact C-N 3.32Å; I150-C152 PolarHBondContact O-N 3.09Å; I150-E153 PolarHBondContact O-N 3.32Å; I150-H154 VanDerWaalsContact O-CB 3.25Å; I150-H154 WeakPolarHBondContact O-CB 3.46Å; I150-H154 PolarHBondContact O-N 3.42Å; I150-E241 HydrophobicContact CG2-CB 3.92Å; I150-E241 HydrophobicContact CG2-CG 4.03Å; I150-F244 HydrophobicContact CB-CD1 4.34Å; I150-F244 HydrophobicContact CD1-CD1 3.28Å; I150-F244 HydrophobicContact CD1-CD2 4.45Å; I150-F244 HydrophobicContact CD1-CE1 3.39Å; I150-F244 HydrophobicContact CD1-CG 3.87Å; I150-F244 HydrophobicContact CD1-CZ 4.04Å; I150-F244 HydrophobicContact CG1-CD1 4.36Å; I150-F244 HydrophobicContact CG1-CE1 4.44Å; I150-F244 HydrophobicContact CG2-CD1 4.18Å; I150-L245 HydrophobicContact CB-CD2 4.17Å; I150-L245 HydrophobicContact CG2-CD1 4.08Å; I150-L245 HydrophobicContact CG2-CD2 3.89Å; I150-L245 HydrophobicContact CG2-CG 3.8Å
151R93.1Very high90.3Very high116 Ų11641.6 Ų41.644%0.43820%0.198SC..Hα-helixtrans-63.5-40177.9-174.5168.653.7163-0.4111.7A147 S148 V149 N155 L245A147-R151 WeakPolarHBondContact O-CB 3.31Å; A147-R151 PolarHBondContact O-N 2.91Å; S148-R151 PolarHBondContact O-N 3.43Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 3.04Å; R151-N155 WeakPolarHBondContact O-CB 3.19Å; R151-N155 VanDerWaalsContact O-CG 3.29Å; R151-N155 PolarHBondContact O-N 3.05Å; R151-N155 PolarHBondContact O-ND2 3.17Å; R151-L245 HydrophobicContact CB-CD1 4.27Å; R151-L245 HydrophobicContact CB-CD2 3.79Å
152C92.2Very high90.8Very high24 Ų2444.1 Ų44.116%0.16221%0.205CC..Hα-helixtrans-63-48.1172.4-178.90000111.2C123 S148 V149 I150 H154 N155 C156C123-C152 VanDerWaalsContact CA-SG 3.56Å; C123-C152 HydrophobicContact CB-CB 3.55Å; C123-C152 WeakPolarHBondContact CB-SG 3.44Å; C123-C152 WeakPolarHBondContact SG-CB 2.79Å; C123-C152 PolarHBondContact SG-O 2.92Å; C123-C152 VanDerWaalsContact SG-O 3.4Å; C123-C152 CovalentContact SG-SG 2.04Å; C123-C152 PolarHBondContact SG-SG 3.48Å; S148-C152 PolarHBondContact O-N 3.37Å; S148-C152 VanDerWaalsContact O-N 3.08Å; V149-C152 WeakPolarHBondContact O-CB 3.37Å; V149-C152 PolarHBondContact O-N 2.93Å; V149-C152 VanDerWaalsContact O-N 3.12Å; I150-C152 VanDerWaalsContact C-N 3.32Å; I150-C152 PolarHBondContact O-N 3.09Å; C152-H154 PolarHBondContact O-N 2.96Å; C152-N155 PolarHBondContact O-N 3.39Å; C152-C156 PolarHBondContact O-N 3.46Å; C152-C156 PolarHBondContact O-SG 3.22Å
153E95.4Very high91.3Very high7 Ų739.4 Ų39.43%0.03318%0.181CC..Hα-helixtrans-59-47178.8-68.8176.8129.500111.3R120 C123 R146 V149 I150 N155 C156R120-E153 HydrophobicContact CB-CG 4.19Å; R120-E153 HydrophobicContact CG-CB 4.1Å; R120-E153 HydrophobicContact CG-CG 4.3Å; R120-E153 IonicContact NH2-OE1 3.44Å; C123-E153 HydrophobicContact CB-CG 3.85Å; C123-E153 PolarHBondContact SG-N 2.9Å; C123-E153 VanDerWaalsContact SG-N 3.44Å; R146-E153 IonicContact NH1-OE2 3.45Å; R146-E153 PolarHBondContact NH1-OE2 3.43Å; V149-E153 HydrophobicContact CG1-CG 4.31Å; V149-E153 WeakPolarHBondContact O-CG 3.46Å; V149-E153 PolarHBondContact O-N 3.34Å; I150-E153 PolarHBondContact O-N 3.32Å; E153-N155 VanDerWaalsContact C-N 3.28Å; E153-N155 PolarHBondContact O-N 2.95Å; E153-C156 WeakPolarHBondContact O-CB 3.48Å; E153-C156 PolarHBondContact O-N 2.71Å
154H95.4Very high91.6Very high34 Ų3440.7 Ų40.716%0.15719%0.185CC..Hα-helixtrans-62.3-35.7-178.9-170.974.4000112.6I150 C152 C156 R238 E241 L245I150-H154 VanDerWaalsContact O-CB 3.25Å; I150-H154 WeakPolarHBondContact O-CB 3.46Å; I150-H154 PolarHBondContact O-N 3.42Å; C152-H154 PolarHBondContact O-N 2.96Å; H154-C156 VanDerWaalsContact C-N 3.32Å; H154-C156 PolarHBondContact O-N 2.95Å; H154-R238 PolarHBondContact CE1-O 3.16Å; H154-R238 PolarHBondContact O-NH1 3.08Å; H154-R238 PolarHBondContact O-NH2 3.33Å; H154-E241 HydrophobicContact CB-CB 4.41Å; H154-E241 IonicContact ND1-OE2 2.75Å; H154-L245 HydrophobicContact CB-CD1 3.93Å
155N93.7Very high91.8Very high67 Ų6740.1 Ų40.136%0.35818%0.182SC..THydrogen-bonded Turntrans-841.2-179.4-72.2-18.1000114R151 C152 E153 Y158 K159R151-N155 WeakPolarHBondContact O-CB 3.19Å; R151-N155 VanDerWaalsContact O-CG 3.29Å; R151-N155 PolarHBondContact O-N 3.05Å; R151-N155 PolarHBondContact O-ND2 3.17Å; C152-N155 PolarHBondContact O-N 3.39Å; E153-N155 VanDerWaalsContact C-N 3.28Å; E153-N155 PolarHBondContact O-N 2.95Å; N155-Y158 WeakPolarHBondContact O-CB 3.39Å; N155-Y158 PolarHBondContact O-N 3.41Å; N155-K159 PolarHBondContact O-N 3.07Å
156C94.2Very high92.1Very high0 Ų045 Ų450%021%0.205CC..Hα-helixtrans-60.9-48.1178.7-79.40000112.7D116 C119 R120 C152 E153 H154 Y158 K159 L160D116-C156 WeakPolarHBondContact OD1-CB 3.26Å; C119-C156 HydrophobicContact CB-CB 3.63Å; C119-C156 WeakPolarHBondContact CB-SG 3.12Å; C119-C156 WeakPolarHBondContact SG-CA 3.34Å; C119-C156 WeakPolarHBondContact SG-CB 3.48Å; C119-C156 CovalentContact SG-SG 2.04Å; C119-C156 PolarHBondContact SG-SG 2.83Å; R120-C156 HydrophobicContact CG-CB 4.25Å; R120-C156 PolarHBondContact N-SG 2.96Å; C152-C156 PolarHBondContact O-N 3.46Å; C152-C156 PolarHBondContact O-SG 3.22Å; E153-C156 WeakPolarHBondContact O-CB 3.48Å; E153-C156 PolarHBondContact O-N 2.71Å; H154-C156 VanDerWaalsContact C-N 3.32Å; H154-C156 PolarHBondContact O-N 2.95Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 3.25Å; C156-K159 WeakPolarHBondContact O-CB 3.44Å; C156-K159 PolarHBondContact O-N 3.44Å; C156-K159 VanDerWaalsContact O-N 3.15Å; C156-L160 WeakPolarHBondContact O-CG 3.34Å; C156-L160 PolarHBondContact O-N 3.42Å; C156-L160 VanDerWaalsContact O-N 3.08Å
157L94Very high92.3Very high11 Ų1142.9 Ų42.96%0.05820%0.197CC..Hα-helixtrans-62.6-33.3177-66.5-169.9000113.6D116 K159 L160 A161 F172D116-L157 HydrophobicContact CB-CD2 3.6Å; D116-L157 VanDerWaalsContact CG-CD2 3.44Å; D116-L157 VanDerWaalsContact OD1-CD2 3.27Å; D116-L157 WeakPolarHBondContact OD1-CD2 3.29Å; D116-L157 WeakPolarHBondContact OD1-CG 3.12Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-L160 HydrophobicContact CD2-CD1 4.31Å; L157-L160 PolarHBondContact O-N 2.85Å; L157-A161 WeakPolarHBondContact O-CB 3.44Å; L157-A161 PolarHBondContact O-N 3.43Å; L157-F172 HydrophobicContact CD1-CD2 3.81Å; L157-F172 HydrophobicContact CD1-CE2 3.61Å; L157-F172 HydrophobicContact CD2-CD2 4.35Å; L157-F172 HydrophobicContact CD2-CE2 3.59Å; L157-F172 HydrophobicContact CD2-CZ 4.49Å; L157-F172 HydrophobicContact CG-CE2 4.26Å
158Y92.6Very high92.4Very high112 Ų11244.5 Ų44.544%0.43921%0.205SC..Hα-helixtrans-60.3-46174.5179.2-96.2000111.2N155 C156 L160 A161 Y167 D375N155-Y158 WeakPolarHBondContact O-CB 3.39Å; N155-Y158 PolarHBondContact O-N 3.41Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 3.25Å; Y158-L160 VanDerWaalsContact C-N 3.31Å; Y158-L160 PolarHBondContact O-N 3.06Å; Y158-A161 WeakPolarHBondContact O-CB 3.35Å; Y158-A161 PolarHBondContact O-N 3.27Å; Y158-A161 VanDerWaalsContact O-N 3.17Å; Y158-Y167 AromaticContact CD2-CE2 3.68Å; Y158-Y167 HydrophobicContact CD2-CE2 3.68Å; Y158-Y167 AromaticContact CD2-CZ 3.72Å; Y158-Y167 WeakPolarHBondContact CD2-OH 3.26Å; Y158-Y167 HydrophobicContact CE2-CD2 4.45Å; Y158-Y167 HydrophobicContact CE2-CE1 4.25Å; Y158-Y167 AromaticContact CE2-CE2 3.46Å; Y158-Y167 HydrophobicContact CE2-CE2 3.46Å; Y158-Y167 VanDerWaalsContact CE2-CE2 3.46Å; Y158-Y167 AromaticContact CE2-CZ 3.34Å; Y158-Y167 WeakPolarHBondContact CE2-OH 3.38Å; Y158-Y167 HydrophobicContact CG-CE2 4.43Å; Y158-D375 WeakPolarHBondContact CE2-OXT 3.21Å; Y158-D375 PolarHBondContact OH-OXT 2.88Å
159K89.6Confident92.5Very high105 Ų10544.4 Ų44.446%0.45721%0.207SC..Hα-helixtrans-64.2-37.1177.1-65.6176.2-178.3-179.30112.3N155 C156 L157 A161N155-K159 PolarHBondContact O-N 3.07Å; C156-K159 WeakPolarHBondContact O-CB 3.44Å; C156-K159 PolarHBondContact O-N 3.44Å; C156-K159 VanDerWaalsContact O-N 3.15Å; L157-K159 VanDerWaalsContact C-N 3.34Å; K159-A161 VanDerWaalsContact C-N 3.28Å; K159-A161 PolarHBondContact O-N 3.34Å
160L93.6Very high92.5Very high8 Ų847.9 Ų47.94%0.04222%0.222CC..Hα-helixtrans-75-16.6177.4-62.8175.6000113.1Q115 D116 C156 L157 Y158 R162 L171Q115-L160 HydrophobicContact CB-CD1 3.84Å; Q115-L160 HydrophobicContact CB-CD2 3.91Å; D116-L160 HydrophobicContact CB-CD1 4.13Å; C156-L160 WeakPolarHBondContact O-CG 3.34Å; C156-L160 PolarHBondContact O-N 3.42Å; C156-L160 VanDerWaalsContact O-N 3.08Å; L157-L160 HydrophobicContact CD2-CD1 4.31Å; L157-L160 PolarHBondContact O-N 2.85Å; Y158-L160 VanDerWaalsContact C-N 3.31Å; Y158-L160 PolarHBondContact O-N 3.06Å; L160-R162 PolarHBondContact O-N 3.49Å; L160-L171 HydrophobicContact CB-CD2 3.65Å
161A93.9Very high92.5Very high0 Ų047.8 Ų47.80%022%0.221CC..THydrogen-bonded Turntrans-74.2-0.1177.400000113.9L157 Y158 K159 Y167 V168 G169 L171L157-A161 WeakPolarHBondContact O-CB 3.44Å; L157-A161 PolarHBondContact O-N 3.43Å; Y158-A161 WeakPolarHBondContact O-CB 3.35Å; Y158-A161 PolarHBondContact O-N 3.27Å; Y158-A161 VanDerWaalsContact O-N 3.17Å; K159-A161 VanDerWaalsContact C-N 3.28Å; K159-A161 PolarHBondContact O-N 3.34Å; A161-Y167 HydrophobicContact CB-CD2 3.98Å; A161-Y167 HydrophobicContact CB-CE2 3.62Å; A161-V168 HydrophobicContact CB-CG2 4.27Å; A161-V168 WeakPolarHBondContact O-CG2 3.39Å; A161-V168 PolarHBondContact O-N 3.13Å; A161-G169 WeakPolarHBondContact CB-O 3.34Å; A161-L171 HydrophobicContact CB-CB 4.01Å
162R91.3Very high92.7Very high89 Ų8942.4 Ų42.434%0.33620%0.201SC..EExtended strand (participates in β ladder)trans-93107.4172.6-169.2174.1-118.9-146.613.1110.2V48 A49 P51 L160 H166V48-R162 PolarHBondContact O-NH1 2.9Å; V48-R162 VanDerWaalsContact O-NH1 3.11Å; A49-R162 PolarHBondContact O-NH1 3.43Å; P51-R162 VanDerWaalsContact CD-CZ 3.46Å; P51-R162 VanDerWaalsContact CD-NH2 3.34Å; L160-R162 PolarHBondContact O-N 3.49Å; R162-H166 CarbonylContact C-O 3.53Å; R162-H166 WeakPolarHBondContact CA-O 3.28Å
163I93.1Very high92.9Very high11 Ų1141.5 Ų41.56%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-113.6117.6-177.2-57.7-176000107.8E83 F86 I87 G165 H166 V168 L171E83-I163 HydrophobicContact CG-CB 4.29Å; E83-I163 HydrophobicContact CG-CG2 3.77Å; F86-I163 HydrophobicContact CB-CD1 3.95Å; F86-I163 HydrophobicContact CD1-CD1 3.42Å; F86-I163 VanDerWaalsContact CD1-CD1 3.42Å; F86-I163 HydrophobicContact CD1-CG2 3.97Å; F86-I163 HydrophobicContact CD2-CD1 3.69Å; F86-I163 HydrophobicContact CE1-CD1 3.71Å; F86-I163 HydrophobicContact CE2-CD1 3.97Å; F86-I163 HydrophobicContact CG-CD1 3.4Å; F86-I163 HydrophobicContact CZ-CD1 3.97Å; I87-I163 HydrophobicContact CD1-CG2 4.4Å; I87-I163 HydrophobicContact CG1-CG2 3.92Å; I163-G165 PolarHBondContact O-N 3.36Å; I163-H166 PolarHBondContact N-O 3.47Å; I163-H166 PolarHBondContact O-N 3.41Å; I163-V168 HydrophobicContact CB-CG1 4.26Å; I163-V168 HydrophobicContact CD1-CG1 4.14Å; I163-V168 HydrophobicContact CD1-CG2 4.12Å; I163-V168 HydrophobicContact CG1-CG1 4.29Å; I163-L171 HydrophobicContact CD1-CD1 3.97Å
164N90.9Very high92.9Very high45 Ų4541.8 Ų41.824%0.24120%0.199CC..THydrogen-bonded Turntrans52.536.3-179.1-152.648.9000113.6Y44 R79 E83 I87 H166Y44-N164 PolarHBondContact OH-ND2 3.18Å; Y44-N164 PolarHBondContact OH-OD1 3.27Å; R79-N164 PolarHBondContact NH2-OD1 3.08Å; E83-N164 VanDerWaalsContact OE1-CA 3.25Å; E83-N164 WeakPolarHBondContact OE1-CA 3.32Å; E83-N164 PolarHBondContact OE1-N 3.06Å; I87-N164 HydrophobicContact CD1-CB 4.07Å; N164-H166 VanDerWaalsContact C-N 3.3Å; N164-H166 PolarHBondContact O-CD2 3.42Å; N164-H166 PolarHBondContact O-N 3.16Å
165G88.3Confident93Very high9 Ų940.1 Ų40.19%0.09319%0.191CC..THydrogen-bonded Turntrans84.3-2.6-179.300000114.9V48 I163V48-G165 VanDerWaalsContact O-CA 3.27Å; V48-G165 WeakPolarHBondContact O-CA 3.33Å; I163-G165 PolarHBondContact O-N 3.36Å
166H91.1Very high93.3Very high135 Ų13537.1 Ų37.163%0.62518%0.175SC*.EExtended strand (participates in β ladder)trans-103.8132176.8-61.5-78.1000110.9R162 I163 N164R162-H166 CarbonylContact C-O 3.53Å; R162-H166 WeakPolarHBondContact CA-O 3.28Å; I163-H166 PolarHBondContact N-O 3.47Å; I163-H166 PolarHBondContact O-N 3.41Å; N164-H166 VanDerWaalsContact C-N 3.3Å; N164-H166 PolarHBondContact O-CD2 3.42Å; N164-H166 PolarHBondContact O-N 3.16Å
167Y91.7Very high93.4Very high76 Ų7641.1 Ų41.130%0.29819%0.194SC..EExtended strand (participates in β ladder)trans-81.8121.7174-178-114.4000109.7Y158 A161 G169Y158-Y167 AromaticContact CD2-CE2 3.68Å; Y158-Y167 HydrophobicContact CD2-CE2 3.68Å; Y158-Y167 AromaticContact CD2-CZ 3.72Å; Y158-Y167 WeakPolarHBondContact CD2-OH 3.26Å; Y158-Y167 HydrophobicContact CE2-CD2 4.45Å; Y158-Y167 HydrophobicContact CE2-CE1 4.25Å; Y158-Y167 AromaticContact CE2-CE2 3.46Å; Y158-Y167 HydrophobicContact CE2-CE2 3.46Å; Y158-Y167 VanDerWaalsContact CE2-CE2 3.46Å; Y158-Y167 AromaticContact CE2-CZ 3.34Å; Y158-Y167 WeakPolarHBondContact CE2-OH 3.38Å; Y158-Y167 HydrophobicContact CG-CE2 4.43Å; A161-Y167 HydrophobicContact CB-CD2 3.98Å; A161-Y167 HydrophobicContact CB-CE2 3.62Å; Y167-G169 VanDerWaalsContact CE1-CA 3.47Å
168V91.9Very high93.6Very high48 Ų4843.9 Ų43.929%0.29120%0.204SC..  trans-94.26.6-177.9-55.40000113.7A161 I163 L171 A174A161-V168 HydrophobicContact CB-CG2 4.27Å; A161-V168 WeakPolarHBondContact O-CG2 3.39Å; A161-V168 PolarHBondContact O-N 3.13Å; I163-V168 HydrophobicContact CB-CG1 4.26Å; I163-V168 HydrophobicContact CD1-CG1 4.14Å; I163-V168 HydrophobicContact CD1-CG2 4.12Å; I163-V168 HydrophobicContact CG1-CG1 4.29Å; V168-L171 HydrophobicContact CG2-CD1 4.07Å; V168-A174 HydrophobicContact CB-CB 4.27Å; V168-A174 HydrophobicContact CG2-CB 3.99Å
169G90.2Very high93.8Very high12 Ų1238.8 Ų38.812%0.12418%0.184CC..SBendtrans75.4-132-175.800000112.3A161 Y167 L171A161-G169 WeakPolarHBondContact CB-O 3.34Å; Y167-G169 VanDerWaalsContact CE1-CA 3.47Å; G169-L171 PolarHBondContact O-N 3.06Å
170H92.1Very high94.2Very high89 Ų8934.2 Ų34.241%0.41217%0.165SC..SBendtrans-69.2100.7175.9-68.6-64.4000110.8F172 A173 A174H170-F172 VanDerWaalsContact C-N 3.28Å; H170-F172 PolarHBondContact O-N 3.12Å; H170-F172 VanDerWaalsContact O-N 3.15Å; H170-A173 HydrophobicContact CB-CB 3.68Å; H170-A173 WeakPolarHBondContact O-CA 3.39Å; H170-A173 WeakPolarHBondContact O-CB 3.28Å; H170-A173 PolarHBondContact O-N 2.96Å; H170-A174 PolarHBondContact O-N 3.21Å
171L94.9Very high94.4Very high5 Ų536.7 Ų36.73%0.02618%0.175CC..Hα-helixtrans-48.7-46-176.4-177.859000113.5L160 A161 I163 V168 G169 A174 H175L160-L171 HydrophobicContact CB-CD2 3.65Å; A161-L171 HydrophobicContact CB-CB 4.01Å; I163-L171 HydrophobicContact CD1-CD1 3.97Å; V168-L171 HydrophobicContact CG2-CD1 4.07Å; G169-L171 PolarHBondContact O-N 3.06Å; L171-A174 PolarHBondContact O-N 2.74Å; L171-H175 VanDerWaalsContact CD1-CE1 3.43Å; L171-H175 WeakPolarHBondContact CD1-CE1 3.33Å; L171-H175 PolarHBondContact O-N 3.35Å; L171-H175 VanDerWaalsContact O-N 3.07Å; L171-H175 PolarHBondContact O-ND1 3.38Å
172F96.4Very high94.6Very high3 Ų336.7 Ų36.71%0.01318%0.175CC..Hα-helixtrans-68.2-42.1179.9-81.7-113.3000111.7L109 I113 L157 H170 A174 H175 F176 F202 I234L109-F172 HydrophobicContact CD1-CD1 3.75Å; L109-F172 HydrophobicContact CD1-CE1 3.69Å; L109-F172 HydrophobicContact CD1-CG 4.35Å; L109-F172 HydrophobicContact CD1-CZ 4.24Å; I113-F172 HydrophobicContact CD1-CE1 4.34Å; I113-F172 HydrophobicContact CD1-CZ 4.49Å; I113-F172 HydrophobicContact CG1-CE1 4.03Å; I113-F172 HydrophobicContact CG1-CZ 3.7Å; L157-F172 HydrophobicContact CD1-CD2 3.81Å; L157-F172 HydrophobicContact CD1-CE2 3.61Å; L157-F172 HydrophobicContact CD2-CD2 4.35Å; L157-F172 HydrophobicContact CD2-CE2 3.59Å; L157-F172 HydrophobicContact CD2-CZ 4.49Å; L157-F172 HydrophobicContact CG-CE2 4.26Å; H170-F172 VanDerWaalsContact C-N 3.28Å; H170-F172 PolarHBondContact O-N 3.12Å; H170-F172 VanDerWaalsContact O-N 3.15Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 3.11Å; F172-H175 PolarHBondContact O-N 2.92Å; F172-F176 HydrophobicContact CB-CD2 4.4Å; F172-F176 HydrophobicContact CB-CE2 4Å; F172-F176 HydrophobicContact CD1-CE2 4.04Å; F172-F176 HydrophobicContact CD1-CZ 4.27Å; F172-F176 WeakPolarHBondContact O-CD2 3.39Å; F172-F176 WeakPolarHBondContact O-CG 3.29Å; F172-F176 PolarHBondContact O-N 2.99Å; F172-F202 HydrophobicContact CB-CD1 4.27Å; F172-F202 HydrophobicContact CB-CD2 3.84Å; F172-F202 HydrophobicContact CB-CE1 4.2Å; F172-F202 HydrophobicContact CB-CE2 3.78Å; F172-F202 HydrophobicContact CB-CG 4.09Å; F172-F202 HydrophobicContact CB-CZ 3.96Å; F172-F202 HydrophobicContact CD1-CE2 4.23Å; F172-F202 HydrophobicContact CD1-CZ 4.01Å; F172-F202 HydrophobicContact CG-CE1 4.43Å; F172-F202 HydrophobicContact CG-CE2 4.33Å; F172-F202 HydrophobicContact CG-CZ 4.12Å; F172-I234 HydrophobicContact CE1-CD1 3.63Å; F172-I234 HydrophobicContact CE1-CG2 4.32Å; F172-I234 HydrophobicContact CZ-CD1 3.82Å; F172-I234 HydrophobicContact CZ-CG2 4.28Å
173A96.3Very high94.9Very high5 Ų532.8 Ų32.84%0.04116%0.16CC..Hα-helixtrans-59.7-43.2174.400000110.9H170 H175 F176 E177 Y199 F202 D203H170-A173 HydrophobicContact CB-CB 3.68Å; H170-A173 WeakPolarHBondContact O-CA 3.39Å; H170-A173 WeakPolarHBondContact O-CB 3.28Å; H170-A173 PolarHBondContact O-N 2.96Å; A173-H175 PolarHBondContact O-N 2.9Å; A173-F176 PolarHBondContact O-N 3.15Å; A173-E177 PolarHBondContact O-N 3.13Å; A173-Y199 HydrophobicContact CB-CD2 3.95Å; A173-Y199 HydrophobicContact CB-CE2 3.71Å; A173-Y199 WeakPolarHBondContact O-CD2 3.39Å; A173-Y199 VanDerWaalsContact O-CE2 3.25Å; A173-Y199 WeakPolarHBondContact O-CE2 3.32Å; A173-F202 HydrophobicContact CB-CB 4.07Å; A173-D203 HydrophobicContact CB-CB 4.1Å
174A96.4Very high95.1Very high13 Ų1336.3 Ų36.311%0.10718%0.176CC..Hα-helixtrans-59.7-44.6176.400000112.1F86 V168 H170 L171 F172 E177 Y178F86-A174 HydrophobicContact CE2-CB 4.42Å; F86-A174 HydrophobicContact CZ-CB 4.25Å; V168-A174 HydrophobicContact CB-CB 4.27Å; V168-A174 HydrophobicContact CG2-CB 3.99Å; H170-A174 PolarHBondContact O-N 3.21Å; L171-A174 PolarHBondContact O-N 2.74Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 3.11Å; A174-E177 PolarHBondContact O-N 3.03Å; A174-Y178 VanDerWaalsContact O-CD2 3.31Å; A174-Y178 WeakPolarHBondContact O-CD2 3.47Å; A174-Y178 PolarHBondContact O-N 2.88Å
175H97.9Very high95.4Very high0 Ų038.6 Ų38.60%018%0.183CC..Hα-helixtrans-59-49173.6-7683.1000111.7F86 A108 L109 L171 F172 A173 E177 Y178 L179F86-H175 AromaticContact CD2-CD2 3.91Å; F86-H175 AromaticContact CD2-CE1 3.65Å; F86-H175 AromaticContact CD2-NE2 3.54Å; F86-H175 AromaticContact CE2-CE1 3.93Å; F86-H175 AromaticContact CE2-ND1 3.89Å; A108-H175 WeakPolarHBondContact CB-NE2 3.44Å; L109-H175 HydrophobicContact CD1-CB 4.24Å; L109-H175 PolarHBondContact N-CD2 2.91Å; L109-H175 PolarHBondContact N-NE2 3.49Å; L171-H175 VanDerWaalsContact CD1-CE1 3.43Å; L171-H175 WeakPolarHBondContact CD1-CE1 3.33Å; L171-H175 PolarHBondContact O-N 3.35Å; L171-H175 VanDerWaalsContact O-N 3.07Å; L171-H175 PolarHBondContact O-ND1 3.38Å; F172-H175 PolarHBondContact O-N 2.92Å; A173-H175 PolarHBondContact O-N 2.9Å; H175-E177 VanDerWaalsContact C-N 3.31Å; H175-E177 PolarHBondContact O-N 3.42Å; H175-Y178 PolarHBondContact O-N 3.06Å; H175-L179 WeakPolarHBondContact O-CB 3.45Å; H175-L179 WeakPolarHBondContact O-CG 3.25Å; H175-L179 PolarHBondContact O-N 3.06Å
176F98.4Very high95.8Very high4 Ų441.1 Ų41.12%0.01819%0.193CC..Hα-helixtrans-68.3-29.4-177.3-63.9-47.8000112.9L109 F172 A173 L179 H180 T195 N198 Y199 F202 V231L109-F176 HydrophobicContact CD1-CZ 4.4Å; L109-F176 HydrophobicContact CD2-CE1 3.55Å; L109-F176 HydrophobicContact CD2-CZ 3.84Å; F172-F176 HydrophobicContact CB-CD2 4.4Å; F172-F176 HydrophobicContact CB-CE2 4Å; F172-F176 HydrophobicContact CD1-CE2 4.04Å; F172-F176 HydrophobicContact CD1-CZ 4.27Å; F172-F176 WeakPolarHBondContact O-CD2 3.39Å; F172-F176 WeakPolarHBondContact O-CG 3.29Å; F172-F176 PolarHBondContact O-N 2.99Å; A173-F176 PolarHBondContact O-N 3.15Å; F176-L179 HydrophobicContact CD1-CD1 4.14Å; F176-L179 HydrophobicContact CE1-CD1 4.49Å; F176-H180 WeakPolarHBondContact O-CB 3.04Å; F176-H180 PolarHBondContact O-N 3.47Å; F176-T195 HydrophobicContact CB-CG2 3.69Å; F176-T195 HydrophobicContact CD1-CG2 3.87Å; F176-T195 HydrophobicContact CG-CG2 4.19Å; F176-T195 WeakPolarHBondContact O-CG2 3.09Å; F176-N198 HydrophobicContact CD1-CB 3.93Å; F176-N198 HydrophobicContact CD2-CB 3.8Å; F176-N198 HydrophobicContact CE1-CB 3.81Å; F176-N198 HydrophobicContact CE2-CB 3.71Å; F176-N198 HydrophobicContact CG-CB 3.94Å; F176-N198 HydrophobicContact CZ-CB 3.73Å; F176-Y199 HydrophobicContact CB-CD2 4.13Å; F176-Y199 HydrophobicContact CB-CG 4.5Å; F176-F202 HydrophobicContact CD2-CD2 4.38Å; F176-F202 HydrophobicContact CD2-CE2 4.44Å; F176-F202 HydrophobicContact CE2-CD2 4.21Å; F176-F202 AromaticContact CE2-CE2 3.83Å; F176-F202 HydrophobicContact CE2-CE2 3.83Å; F176-V231 HydrophobicContact CE1-CG2 4.45Å; F176-V231 HydrophobicContact CE2-CG1 3.97Å; F176-V231 HydrophobicContact CE2-CG2 4.36Å; F176-V231 HydrophobicContact CZ-CG1 4.04Å; F176-V231 HydrophobicContact CZ-CG2 3.61Å
177E96.6Very high96Very high84 Ų8443.4 Ų43.439%0.39320%0.204SC..Hα-helixtrans-61.3-48.7173.6-174.8165.4173.900111.8A173 A174 H175 F181 Y199 M208A173-E177 PolarHBondContact O-N 3.13Å; A174-E177 PolarHBondContact O-N 3.03Å; H175-E177 VanDerWaalsContact C-N 3.31Å; H175-E177 PolarHBondContact O-N 3.42Å; E177-F181 PolarHBondContact O-N 2.78Å; E177-Y199 HydrophobicContact CB-CD2 4.29Å; E177-Y199 HydrophobicContact CB-CE2 3.96Å; E177-M208 HydrophobicContact CG-CE 4.22Å
178Y97.9Very high96.2Very high68 Ų6843.9 Ų43.927%0.26721%0.206SC..Hα-helixtrans-67.3-47.7176.5-77.6-72000112.4F86 V90 Y93 F105 A174 H175 H180 F181 C182F86-Y178 HydrophobicContact CE1-CE2 4.18Å; F86-Y178 AromaticContact CZ-CD2 3.98Å; F86-Y178 HydrophobicContact CZ-CD2 3.98Å; F86-Y178 AromaticContact CZ-CE2 3.86Å; F86-Y178 HydrophobicContact CZ-CE2 3.86Å; V90-Y178 HydrophobicContact CG2-CE1 4.34Å; V90-Y178 HydrophobicContact CG2-CE2 4.15Å; Y93-Y178 HydrophobicContact CD1-CE1 4.22Å; Y93-Y178 AromaticContact CD2-CD1 3.82Å; Y93-Y178 HydrophobicContact CD2-CD1 3.82Å; Y93-Y178 HydrophobicContact CD2-CE1 4.24Å; Y93-Y178 HydrophobicContact CE2-CD1 4.21Å; Y93-Y178 HydrophobicContact CE2-CE1 4.49Å; Y93-Y178 HydrophobicContact CG-CD1 4.04Å; Y93-Y178 HydrophobicContact CG-CE1 4.1Å; F105-Y178 HydrophobicContact CD2-CG 4.41Å; F105-Y178 AromaticContact CE1-CD2 3.69Å; F105-Y178 HydrophobicContact CE1-CD2 3.69Å; F105-Y178 HydrophobicContact CE1-CE2 4.41Å; F105-Y178 AromaticContact CE1-CG 3.81Å; F105-Y178 HydrophobicContact CE1-CG 3.81Å; F105-Y178 AromaticContact CE2-CD1 3.82Å; F105-Y178 HydrophobicContact CE2-CD1 3.82Å; F105-Y178 HydrophobicContact CE2-CD2 4.33Å; F105-Y178 AromaticContact CE2-CG 3.61Å; F105-Y178 HydrophobicContact CE2-CG 3.61Å; F105-Y178 VanDerWaalsContact CZ-CB 3.45Å; F105-Y178 AromaticContact CZ-CD1 3.63Å; F105-Y178 HydrophobicContact CZ-CD1 3.63Å; F105-Y178 AromaticContact CZ-CD2 3.52Å; F105-Y178 HydrophobicContact CZ-CD2 3.52Å; F105-Y178 HydrophobicContact CZ-CE1 4.23Å; F105-Y178 HydrophobicContact CZ-CE2 4.15Å; F105-Y178 AromaticContact CZ-CG 3.24Å; F105-Y178 HydrophobicContact CZ-CG 3.24Å; A174-Y178 VanDerWaalsContact O-CD2 3.31Å; A174-Y178 WeakPolarHBondContact O-CD2 3.47Å; A174-Y178 PolarHBondContact O-N 2.88Å; H175-Y178 PolarHBondContact O-N 3.06Å; Y178-H180 VanDerWaalsContact C-N 3.29Å; Y178-H180 PolarHBondContact O-N 3.33Å; Y178-F181 PolarHBondContact O-N 3.09Å; Y178-F181 VanDerWaalsContact O-N 3.16Å; Y178-C182 PolarHBondContact O-N 3.01Å
179L98.4Very high96.2Very high6 Ų642.1 Ų42.13%0.03120%0.197CC..Hα-helixtrans-57.6-43.5178.5-78.2169000111.4F105 E106 L109 H175 F176 F181 C182 H183 T195F105-L179 HydrophobicContact CB-CD1 4.44Å; F105-L179 HydrophobicContact CB-CD2 3.55Å; F105-L179 HydrophobicContact CB-CG 3.73Å; E106-L179 HydrophobicContact CG-CD2 3.81Å; L109-L179 HydrophobicContact CD2-CD1 4.36Å; H175-L179 WeakPolarHBondContact O-CB 3.45Å; H175-L179 WeakPolarHBondContact O-CG 3.25Å; H175-L179 PolarHBondContact O-N 3.06Å; F176-L179 HydrophobicContact CD1-CD1 4.14Å; F176-L179 HydrophobicContact CE1-CD1 4.49Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 3.4Å; L179-C182 PolarHBondContact O-N 2.81Å; L179-H183 WeakPolarHBondContact O-CB 3.43Å; L179-H183 PolarHBondContact O-CD2 3.39Å; L179-H183 PolarHBondContact O-N 3.14Å; L179-T195 HydrophobicContact CB-CG2 3.83Å
180H97.9Very high96.4Very high9 Ų943.8 Ų43.84%0.04221%0.21CC..Hα-helixtrans-56.9-48.9177.8157.6-99.2000110.7F176 Y178 F184 T195 V196 N211 Y215F176-H180 WeakPolarHBondContact O-CB 3.04Å; F176-H180 PolarHBondContact O-N 3.47Å; Y178-H180 VanDerWaalsContact C-N 3.29Å; Y178-H180 PolarHBondContact O-N 3.33Å; H180-F184 WeakPolarHBondContact O-CB 3.33Å; H180-F184 PolarHBondContact O-N 3.33Å; H180-T195 HydrophobicContact CB-CG2 3.74Å; H180-V196 WeakPolarHBondContact CD2-CG2 3.41Å; H180-N211 PolarHBondContact CE1-ND2 3.14Å; H180-Y215 AromaticContact CD2-CE2 3.78Å; H180-Y215 AromaticContact NE2-CE2 3.31Å; H180-Y215 VanDerWaalsContact NE2-CE2 3.31Å; H180-Y215 WeakPolarHBondContact NE2-CE2 3.49Å; H180-Y215 AromaticContact NE2-CZ 3.41Å; H180-Y215 PolarHBondContact NE2-OH 3.5Å
181F96.8Very high96.6Very high59 Ų5943.1 Ų43.126%0.25921%0.207SC..Hα-helixtrans-67-41.7-178.7-169.9-94.3000111.8Y93 W98 E177 Y178 L179 F184 K185Y93-F181 AromaticContact CD2-CD1 4Å; Y93-F181 HydrophobicContact CD2-CD1 4Å; Y93-F181 HydrophobicContact CD2-CE1 4.48Å; Y93-F181 HydrophobicContact CE2-CB 4.26Å; Y93-F181 AromaticContact CE2-CD1 3.24Å; Y93-F181 HydrophobicContact CE2-CD1 3.24Å; Y93-F181 AromaticContact CE2-CE1 3.62Å; Y93-F181 HydrophobicContact CE2-CE1 3.62Å; Y93-F181 AromaticContact CE2-CG 3.91Å; Y93-F181 HydrophobicContact CE2-CG 3.91Å; W98-F181 HydrophobicContact CH2-CD1 4.32Å; W98-F181 AromaticContact CH2-CE1 3.67Å; W98-F181 HydrophobicContact CH2-CE1 3.67Å; W98-F181 AromaticContact CZ3-CD1 3.91Å; W98-F181 HydrophobicContact CZ3-CD1 3.91Å; W98-F181 AromaticContact CZ3-CE1 3.73Å; W98-F181 HydrophobicContact CZ3-CE1 3.73Å; E177-F181 PolarHBondContact O-N 2.78Å; Y178-F181 PolarHBondContact O-N 3.09Å; Y178-F181 VanDerWaalsContact O-N 3.16Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 3.4Å; F181-F184 WeakPolarHBondContact O-CB 3.36Å; F181-F184 PolarHBondContact O-N 2.78Å; F181-K185 HydrophobicContact CD1-CG 3.89Å; F181-K185 HydrophobicContact CE1-CD 4.2Å; F181-K185 HydrophobicContact CE1-CG 3.68Å; F181-K185 HydrophobicContact CZ-CD 4.32Å; F181-K185 HydrophobicContact CZ-CG 4.22Å; F181-K185 WeakPolarHBondContact O-CG 3.14Å; F181-K185 PolarHBondContact O-N 3.34Å
182C98.1Very high96.7Very high0 Ų042.9 Ų42.90%021%0.206CC..Hα-helixtrans-66.3-42.9178.9-69.20000111.8C101 V102 Y178 L179 F184 K185 M186C101-C182 HydrophobicContact CB-CB 3.83Å; C101-C182 WeakPolarHBondContact CB-SG 3.27Å; C101-C182 WeakPolarHBondContact SG-CB 3.26Å; C101-C182 CovalentContact SG-SG 2.02Å; C101-C182 PolarHBondContact SG-SG 3.28Å; V102-C182 HydrophobicContact CG2-CB 3.74Å; Y178-C182 PolarHBondContact O-N 3.01Å; L179-C182 PolarHBondContact O-N 2.81Å; C182-F184 PolarHBondContact O-N 3.03Å; C182-K185 PolarHBondContact O-N 3.25Å; C182-M186 WeakPolarHBondContact O-CG 3.41Å; C182-M186 PolarHBondContact O-N 3.12Å
183H98.1Very high96.8Very high7 Ų742.8 Ų42.83%0.03221%0.205CC..Hα-helixtrans-60-43.5170.8-71.1-50000112.3E106 L179 K185 M186 Q187 R188 E191 A192 T195E106-H183 IonicContact OE1-CE1 2.97Å; E106-H183 IonicContact OE1-NE2 2.86Å; L179-H183 WeakPolarHBondContact O-CB 3.43Å; L179-H183 PolarHBondContact O-CD2 3.39Å; L179-H183 PolarHBondContact O-N 3.14Å; H183-K185 PolarHBondContact O-N 2.96Å; H183-M186 CarbonylContact O-C 3.35Å; H183-M186 PolarHBondContact O-N 3.43Å; H183-Q187 PolarHBondContact O-N 2.93Å; H183-R188 HydrophobicContact CB-CB 4.12Å; H183-R188 WeakPolarHBondContact O-CB 3.37Å; H183-R188 PolarHBondContact O-N 3.03Å; H183-E191 HydrophobicContact CB-CB 4.3Å; H183-A192 HydrophobicContact CB-CB 3.99Å; H183-T195 PolarHBondContact CD2-OG1 3.27Å
184F96.5Very high96.8Very high86 Ų8646.4 Ų46.438%0.37722%0.221SC..Hα-helixtrans-58.7-45.7176.5174.4-102.1000111.8H180 F181 C182 M186 Q187 Y215H180-F184 WeakPolarHBondContact O-CB 3.33Å; H180-F184 PolarHBondContact O-N 3.33Å; F181-F184 WeakPolarHBondContact O-CB 3.36Å; F181-F184 PolarHBondContact O-N 2.78Å; C182-F184 PolarHBondContact O-N 3.03Å; F184-M186 VanDerWaalsContact C-N 3.28Å; F184-M186 PolarHBondContact O-N 3.05Å; F184-Q187 PolarHBondContact O-N 2.82Å; F184-Y215 AromaticContact CD2-CE1 3.96Å; F184-Y215 HydrophobicContact CD2-CE1 3.96Å; F184-Y215 WeakPolarHBondContact CD2-OH 3.44Å; F184-Y215 HydrophobicContact CE2-CE1 4.21Å
185K97.4Very high96.9Very high93 Ų9346.2 Ų46.240%0.40422%0.219SC..Hα-helixtrans-65.4-30.7177.2-70.3-66.1-174.9178.20113.3W98 F181 C182 H183 Q187W98-K185 HydrophobicContact CB-CB 4.32Å; W98-K185 HydrophobicContact CD2-CB 3.46Å; W98-K185 VanDerWaalsContact CD2-CB 3.46Å; W98-K185 HydrophobicContact CD2-CG 3.81Å; W98-K185 HydrophobicContact CE3-CB 3.92Å; W98-K185 HydrophobicContact CE3-CG 3.95Å; W98-K185 HydrophobicContact CG-CB 3.63Å; W98-K185 HydrophobicContact CG-CG 4.48Å; W98-K185 HydrophobicContact CH2-CG 4.06Å; W98-K185 HydrophobicContact CZ2-CB 4.36Å; W98-K185 HydrophobicContact CZ2-CD 4.06Å; W98-K185 HydrophobicContact CZ2-CG 3.89Å; W98-K185 HydrophobicContact CZ3-CG 4.08Å; F181-K185 HydrophobicContact CD1-CG 3.89Å; F181-K185 HydrophobicContact CE1-CD 4.2Å; F181-K185 HydrophobicContact CE1-CG 3.68Å; F181-K185 HydrophobicContact CZ-CD 4.32Å; F181-K185 HydrophobicContact CZ-CG 4.22Å; F181-K185 WeakPolarHBondContact O-CG 3.14Å; F181-K185 PolarHBondContact O-N 3.34Å; C182-K185 PolarHBondContact O-N 3.25Å; H183-K185 PolarHBondContact O-N 2.96Å; K185-Q187 PolarHBondContact O-N 3.46Å
186M97.1Very high96.9Very high61 Ų6146.2 Ų46.230%0.322%0.219SC..THydrogen-bonded Turntrans-803.7172.2-65.7-16380.200114.1W98 V102 C182 H183 F184 R188W98-M186 HydrophobicContact CB-CG 3.59Å; W98-M186 HydrophobicContact CB-SD 4.4Å; V102-M186 HydrophobicContact CB-SD 4.33Å; V102-M186 HydrophobicContact CG2-SD 3.69Å; C182-M186 WeakPolarHBondContact O-CG 3.41Å; C182-M186 PolarHBondContact O-N 3.12Å; H183-M186 CarbonylContact O-C 3.35Å; H183-M186 PolarHBondContact O-N 3.43Å; F184-M186 VanDerWaalsContact C-N 3.28Å; F184-M186 PolarHBondContact O-N 3.05Å; M186-R188 HydrophobicContact CB-CG 3.96Å; M186-R188 PolarHBondContact O-N 3.44Å
187Q95.4Very high96.8Very high183 Ų18346.4 Ų46.486%0.85522%0.221SC*.THydrogen-bonded Turntrans59.925.4-175.8-52.2177.810.400113.5H183 F184 K185 G189H183-Q187 PolarHBondContact O-N 2.93Å; F184-Q187 PolarHBondContact O-N 2.82Å; K185-Q187 PolarHBondContact O-N 3.46Å; Q187-G189 PolarHBondContact O-N 3.09Å
188R95.2Very high96.8Very high86 Ų8642.9 Ų42.933%0.32521%0.205SC..  trans-88.873.3176.6-68.1-171.7-169.2178.42.6110.1H183 M186 A190 E191 A192H183-R188 HydrophobicContact CB-CB 4.12Å; H183-R188 WeakPolarHBondContact O-CB 3.37Å; H183-R188 PolarHBondContact O-N 3.03Å; M186-R188 HydrophobicContact CB-CG 3.96Å; M186-R188 PolarHBondContact O-N 3.44Å; R188-A190 PolarHBondContact O-N 3.47Å; R188-E191 HydrophobicContact CB-CB 4.22Å; R188-E191 HydrophobicContact CB-CG 4.44Å; R188-E191 WeakPolarHBondContact CB-OE2 3.49Å; R188-E191 PolarHBondContact O-N 3.38Å; R188-A192 WeakPolarHBondContact O-CB 3.45Å; R188-A192 PolarHBondContact O-N 3.4Å
189G92.9Very high96.8Very high11 Ų1140.1 Ų40.111%0.11319%0.194CC..Hα-helixtrans-64.1-35.3-17000000115Q187 A193 Y219Q187-G189 PolarHBondContact O-N 3.09Å; G189-A193 WeakPolarHBondContact O-CB 3.5Å; G189-A193 PolarHBondContact O-N 2.97Å; G189-Y219 WeakPolarHBondContact CA-OH 3.38Å
190A94.3Very high96.7Very high47 Ų4741.4 Ų41.439%0.38820%0.201SC..Hα-helixtrans-70.6-45179.300000111R188 A193 Q194 L224R188-A190 PolarHBondContact O-N 3.47Å; A190-A193 PolarHBondContact O-N 3.2Å; A190-Q194 PolarHBondContact O-N 2.91Å; A190-L224 HydrophobicContact CB-CD2 3.91Å
191E96.4Very high96.6Very high76 Ų7641.7 Ų41.736%0.35520%0.203SC..Hα-helixtrans-65.6-40.7177-58.693.3134.700110.8H183 R188 A193 Q194 T195H183-E191 HydrophobicContact CB-CB 4.3Å; R188-E191 HydrophobicContact CB-CB 4.22Å; R188-E191 HydrophobicContact CB-CG 4.44Å; R188-E191 WeakPolarHBondContact CB-OE2 3.49Å; R188-E191 PolarHBondContact O-N 3.38Å; E191-A193 PolarHBondContact O-N 3.37Å; E191-Q194 PolarHBondContact O-N 3.19Å; E191-T195 VanDerWaalsContact O-CB 3.28Å; E191-T195 WeakPolarHBondContact O-CB 3.29Å; E191-T195 PolarHBondContact O-N 3.3Å; E191-T195 PolarHBondContact O-OG1 3.36Å
192A97.1Very high96.5Very high0 Ų040.3 Ų40.30%020%0.197CC..Hα-helixtrans-60.3-43.4173.300000111.9H183 R188 T195 V196 Y215H183-A192 HydrophobicContact CB-CB 3.99Å; R188-A192 WeakPolarHBondContact O-CB 3.45Å; R188-A192 PolarHBondContact O-N 3.4Å; A192-T195 PolarHBondContact O-N 3.4Å; A192-V196 WeakPolarHBondContact O-CG2 3.06Å; A192-V196 PolarHBondContact O-N 3.4Å; A192-Y215 HydrophobicContact CB-CE2 4.29Å
193A97.1Very high96.2Very high0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-66.9-43.717800000112.7G189 A190 E191 T195 V196 A197 Y215 L224 F225G189-A193 WeakPolarHBondContact O-CB 3.5Å; G189-A193 PolarHBondContact O-N 2.97Å; A190-A193 PolarHBondContact O-N 3.2Å; E191-A193 PolarHBondContact O-N 3.37Å; A193-T195 VanDerWaalsContact C-N 3.31Å; A193-T195 PolarHBondContact O-N 2.71Å; A193-V196 PolarHBondContact O-N 3.41Å; A193-A197 PolarHBondContact O-N 3.31Å; A193-A197 VanDerWaalsContact O-N 3.08Å; A193-Y215 HydrophobicContact CB-CD2 4.48Å; A193-L224 CarbonylContact C-O 3.06Å; A193-L224 HydrophobicContact CB-CB 3.84Å; A193-F225 HydrophobicContact CB-CD1 4.07Å; A193-F225 HydrophobicContact CB-CE1 3.77Å; A193-F225 HydrophobicContact CB-CZ 4.19Å
194Q97Very high95.9Very high81 Ų8143 Ų4338%0.37921%0.211SC..Hα-helixtrans-63.6-39174.7176.4166.763.600111.5A190 E191 V196 A197 N198 L224 T226A190-Q194 PolarHBondContact O-N 2.91Å; E191-Q194 PolarHBondContact O-N 3.19Å; Q194-V196 VanDerWaalsContact C-N 3.31Å; Q194-V196 PolarHBondContact O-N 2.93Å; Q194-A197 WeakPolarHBondContact O-CB 3.16Å; Q194-A197 PolarHBondContact O-N 2.95Å; Q194-A197 VanDerWaalsContact O-N 3.11Å; Q194-N198 PolarHBondContact O-N 3.49Å; Q194-L224 WeakPolarHBondContact CA-O 3.34Å; Q194-L224 PolarHBondContact N-O 2.76Å; Q194-L224 VanDerWaalsContact N-O 3.16Å; Q194-T226 WeakPolarHBondContact CG-O 3.33Å; Q194-T226 PolarHBondContact NE2-O 2.93Å; Q194-T226 VanDerWaalsContact NE2-O 3.14Å
195T97.9Very high95.6Very high9 Ų939.4 Ų39.46%0.05520%0.197CC..Hα-helixtrans-62.6-39.5176.3-57.70000111.8F176 L179 H180 H183 E191 A192 A193 A197 N198 Y199F176-T195 HydrophobicContact CB-CG2 3.69Å; F176-T195 HydrophobicContact CD1-CG2 3.87Å; F176-T195 HydrophobicContact CG-CG2 4.19Å; F176-T195 WeakPolarHBondContact O-CG2 3.09Å; L179-T195 HydrophobicContact CB-CG2 3.83Å; H180-T195 HydrophobicContact CB-CG2 3.74Å; H183-T195 PolarHBondContact CD2-OG1 3.27Å; E191-T195 VanDerWaalsContact O-CB 3.28Å; E191-T195 WeakPolarHBondContact O-CB 3.29Å; E191-T195 PolarHBondContact O-N 3.3Å; E191-T195 PolarHBondContact O-OG1 3.36Å; A192-T195 PolarHBondContact O-N 3.4Å; A193-T195 VanDerWaalsContact C-N 3.31Å; A193-T195 PolarHBondContact O-N 2.71Å; T195-A197 VanDerWaalsContact C-N 3.33Å; T195-A197 PolarHBondContact O-N 2.93Å; T195-N198 PolarHBondContact O-N 2.84Å; T195-Y199 WeakPolarHBondContact O-CB 3.17Å; T195-Y199 PolarHBondContact O-N 3.41Å
196V97.6Very high95.5Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-62.1-41.9172.6172.30000111.1H180 A192 A193 Q194 Y199 L200 M208 N211 R212 Y215H180-V196 WeakPolarHBondContact CD2-CG2 3.41Å; A192-V196 WeakPolarHBondContact O-CG2 3.06Å; A192-V196 PolarHBondContact O-N 3.4Å; A193-V196 PolarHBondContact O-N 3.41Å; Q194-V196 VanDerWaalsContact C-N 3.31Å; Q194-V196 PolarHBondContact O-N 2.93Å; V196-Y199 WeakPolarHBondContact O-CB 3.34Å; V196-Y199 PolarHBondContact O-N 3.22Å; V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.39Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 3.39Å; V196-L200 PolarHBondContact O-N 3.33Å; V196-M208 HydrophobicContact CG1-CB 4.39Å; V196-M208 WeakPolarHBondContact CG1-O 3.27Å; V196-M208 HydrophobicContact CG2-SD 4.12Å; V196-N211 HydrophobicContact CG2-CB 4Å; V196-R212 HydrophobicContact CG1-CB 3.72Å; V196-Y215 HydrophobicContact CG2-CD2 4.42Å; V196-Y215 HydrophobicContact CG2-CE2 4.05Å
197A96.9Very high95.3Very high9 Ų934.2 Ų34.27%0.07418%0.175CC..Hα-helixtrans-64-41.7176.900000112.1A193 Q194 T195 L200 F225 P227A193-A197 PolarHBondContact O-N 3.31Å; A193-A197 VanDerWaalsContact O-N 3.08Å; Q194-A197 WeakPolarHBondContact O-CB 3.16Å; Q194-A197 PolarHBondContact O-N 2.95Å; Q194-A197 VanDerWaalsContact O-N 3.11Å; T195-A197 VanDerWaalsContact C-N 3.33Å; T195-A197 PolarHBondContact O-N 2.93Å; A197-L200 PolarHBondContact O-N 2.93Å; A197-F225 HydrophobicContact CB-CB 4.29Å; A197-F225 WeakPolarHBondContact CB-O 3.38Å; A197-P227 HydrophobicContact CB-CG 3.95Å
198N97.7Very high95.3Very high9 Ų925.6 Ų25.65%0.04813%0.134CC..Hα-helixtrans-61.2-43.6173.9-77.5-17.3000112.1F176 Q194 T195 L200 L201 F202 P227 S228 V231F176-N198 HydrophobicContact CD1-CB 3.93Å; F176-N198 HydrophobicContact CD2-CB 3.8Å; F176-N198 HydrophobicContact CE1-CB 3.81Å; F176-N198 HydrophobicContact CE2-CB 3.71Å; F176-N198 HydrophobicContact CG-CB 3.94Å; F176-N198 HydrophobicContact CZ-CB 3.73Å; Q194-N198 PolarHBondContact O-N 3.49Å; T195-N198 PolarHBondContact O-N 2.84Å; N198-L200 PolarHBondContact O-N 3.32Å; N198-L201 WeakPolarHBondContact O-CB 3.37Å; N198-L201 PolarHBondContact O-N 3.33Å; N198-F202 VanDerWaalsContact O-CD2 3.3Å; N198-F202 WeakPolarHBondContact O-CD2 3.34Å; N198-P227 WeakPolarHBondContact OD1-CA 3.48Å; N198-P227 VanDerWaalsContact OD1-CB 3.29Å; N198-P227 WeakPolarHBondContact OD1-CB 3.19Å; N198-S228 PolarHBondContact ND2-OG 3.1Å; N198-S228 VanDerWaalsContact ND2-OG 3.14Å; N198-S228 PolarHBondContact OD1-N 3.26Å; N198-S228 PolarHBondContact OD1-OG 3.31Å; N198-V231 HydrophobicContact CB-CG1 4.26Å
199Y97.5Very high95.3Very high10 Ų1023.4 Ų23.44%0.03913%0.126CC..Hα-helixtrans-58.5-46.5176.7-179.2-78.3000112A173 F176 E177 T195 V196 L201 F202 D203 S205 M208A173-Y199 HydrophobicContact CB-CD2 3.95Å; A173-Y199 HydrophobicContact CB-CE2 3.71Å; A173-Y199 WeakPolarHBondContact O-CD2 3.39Å; A173-Y199 VanDerWaalsContact O-CE2 3.25Å; A173-Y199 WeakPolarHBondContact O-CE2 3.32Å; F176-Y199 HydrophobicContact CB-CD2 4.13Å; F176-Y199 HydrophobicContact CB-CG 4.5Å; E177-Y199 HydrophobicContact CB-CD2 4.29Å; E177-Y199 HydrophobicContact CB-CE2 3.96Å; T195-Y199 WeakPolarHBondContact O-CB 3.17Å; T195-Y199 PolarHBondContact O-N 3.41Å; V196-Y199 WeakPolarHBondContact O-CB 3.34Å; V196-Y199 PolarHBondContact O-N 3.22Å; Y199-L201 PolarHBondContact O-N 3.42Å; Y199-F202 PolarHBondContact O-N 3.1Å; Y199-D203 HydrophobicContact CD1-CB 4.45Å; Y199-D203 WeakPolarHBondContact CD1-O 3.48Å; Y199-D203 HydrophobicContact CE1-CB 3.67Å; Y199-D203 WeakPolarHBondContact CE1-O 2.94Å; Y199-D203 PolarHBondContact O-N 2.92Å; Y199-D203 VanDerWaalsContact O-N 3.13Å; Y199-D203 PolarHBondContact OH-OD1 3.49Å; Y199-S205 WeakPolarHBondContact OH-CB 3.39Å; Y199-M208 HydrophobicContact CD1-CB 3.59Å; Y199-M208 HydrophobicContact CD1-CG 3.33Å; Y199-M208 HydrophobicContact CD2-CG 3.86Å; Y199-M208 HydrophobicContact CE1-CB 3.78Å; Y199-M208 HydrophobicContact CE1-CG 3.46Å; Y199-M208 VanDerWaalsContact CE1-CG 3.46Å; Y199-M208 HydrophobicContact CE2-CG 3.97Å; Y199-M208 HydrophobicContact CG-CB 4.22Å; Y199-M208 HydrophobicContact CG-CG 3.54Å
200L96.1Very high95.5Very high33 Ų3325.3 Ų25.317%0.17313%0.13CC..Hα-helixtrans-66.3-10.6-173.2-71.1172.7000114V196 A197 N198 F202 D203 M208 R209 R212V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.39Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 3.39Å; V196-L200 PolarHBondContact O-N 3.33Å; A197-L200 PolarHBondContact O-N 2.93Å; N198-L200 PolarHBondContact O-N 3.32Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-D203 WeakPolarHBondContact CA-O 3.34Å; L200-M208 HydrophobicContact CD2-CB 4.06Å; L200-M208 HydrophobicContact CG-CB 4.48Å; L200-R209 HydrophobicContact CD2-CG 3.72Å; L200-R212 HydrophobicContact CD1-CB 4.4Å
201L95.4Very high95.5Very high16 Ų1623.5 Ų23.58%0.08411%0.114CC..THydrogen-bonded Turntrans-71.4-27.6168.2-64.5173.8000112.5N198 Y199 P227 V231 L232 Y235 V276N198-L201 WeakPolarHBondContact O-CB 3.37Å; N198-L201 PolarHBondContact O-N 3.33Å; Y199-L201 PolarHBondContact O-N 3.42Å; L201-P227 HydrophobicContact CD1-CB 3.73Å; L201-P227 HydrophobicContact CD1-CG 4.01Å; L201-P227 HydrophobicContact CD2-CG 4.38Å; L201-P227 HydrophobicContact CG-CB 4.48Å; L201-P227 HydrophobicContact CG-CG 4.25Å; L201-V231 HydrophobicContact CD1-CG1 3.9Å; L201-L232 HydrophobicContact CD1-CD2 3.87Å; L201-L232 HydrophobicContact CD2-CD2 4.21Å; L201-Y235 HydrophobicContact CB-CD2 3.98Å; L201-Y235 HydrophobicContact CB-CE2 4.44Å; L201-Y235 HydrophobicContact CB-CG 4.13Å; L201-Y235 HydrophobicContact CD2-CD1 4.15Å; L201-Y235 HydrophobicContact CD2-CE1 4.32Å; L201-Y235 HydrophobicContact CD2-CG 4.37Å; L201-Y235 VanDerWaalsContact O-CD2 3.27Å; L201-Y235 WeakPolarHBondContact O-CD2 2.92Å; L201-Y235 WeakPolarHBondContact O-CE2 3.3Å; L201-V276 HydrophobicContact CD2-CB 4.21Å; L201-V276 HydrophobicContact CD2-CG1 4.49Å
202F94.1Very high95.5Very high30 Ų3021.7 Ų21.713%0.13210%0.104CC..THydrogen-bonded Turntrans-110.1-30.6-172.5-57.7-79.2000113.6F172 A173 F176 N198 Y199 L200 V231 Y235F172-F202 HydrophobicContact CB-CD1 4.27Å; F172-F202 HydrophobicContact CB-CD2 3.84Å; F172-F202 HydrophobicContact CB-CE1 4.2Å; F172-F202 HydrophobicContact CB-CE2 3.78Å; F172-F202 HydrophobicContact CB-CG 4.09Å; F172-F202 HydrophobicContact CB-CZ 3.96Å; F172-F202 HydrophobicContact CD1-CE2 4.23Å; F172-F202 HydrophobicContact CD1-CZ 4.01Å; F172-F202 HydrophobicContact CG-CE1 4.43Å; F172-F202 HydrophobicContact CG-CE2 4.33Å; F172-F202 HydrophobicContact CG-CZ 4.12Å; A173-F202 HydrophobicContact CB-CB 4.07Å; F176-F202 HydrophobicContact CD2-CD2 4.38Å; F176-F202 HydrophobicContact CD2-CE2 4.44Å; F176-F202 HydrophobicContact CE2-CD2 4.21Å; F176-F202 AromaticContact CE2-CE2 3.83Å; F176-F202 HydrophobicContact CE2-CE2 3.83Å; N198-F202 VanDerWaalsContact O-CD2 3.3Å; N198-F202 WeakPolarHBondContact O-CD2 3.34Å; Y199-F202 PolarHBondContact O-N 3.1Å; L200-F202 VanDerWaalsContact C-N 3.33Å; F202-V231 HydrophobicContact CE2-CG1 3.46Å; F202-V231 VanDerWaalsContact CE2-CG1 3.46Å; F202-V231 HydrophobicContact CZ-CG1 3.78Å; F202-Y235 HydrophobicContact CE1-CD2 4.47Å
203D92.2Very high95.4Very high21 Ų2122.7 Ų22.711%0.11211%0.107CC..  trans-144.5144.6177.7-171.7-77.7000110.9A173 Y199 L200 S205 R341A173-D203 HydrophobicContact CB-CB 4.1Å; Y199-D203 HydrophobicContact CD1-CB 4.45Å; Y199-D203 WeakPolarHBondContact CD1-O 3.48Å; Y199-D203 HydrophobicContact CE1-CB 3.67Å; Y199-D203 WeakPolarHBondContact CE1-O 2.94Å; Y199-D203 PolarHBondContact O-N 2.92Å; Y199-D203 VanDerWaalsContact O-N 3.13Å; Y199-D203 PolarHBondContact OH-OD1 3.49Å; L200-D203 WeakPolarHBondContact CA-O 3.34Å; D203-S205 VanDerWaalsContact OD1-CA 3.28Å; D203-S205 WeakPolarHBondContact OD1-CA 3.18Å; D203-S205 VanDerWaalsContact OD1-CB 3.25Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.42Å; D203-R341 IonicContact OD1-CZ 3.24Å; D203-R341 IonicContact OD1-NH1 3.71Å; D203-R341 PolarHBondContact OD1-NH1 3.44Å; D203-R341 IonicContact OD1-NH2 2.95Å; D203-R341 IonicContact OD2-NH1 2.73Å; D203-R341 PolarHBondContact OD2-NH1 3.48Å
204D91.2Very high95.3Very high41 Ų4126.4 Ų26.422%0.21912%0.124CC..  trans-96.525-177.360.7-12000114R341 K371D204-R341 IonicContact OD1-CZ 2.74Å; D204-R341 IonicContact OD1-NH2 2.79Å; D204-R341 PolarHBondContact OD1-NH2 3.13Å; D204-K371 IonicContact OD1-NZ 2.86Å; D204-K371 PolarHBondContact OD1-NZ 3.47Å; D204-K371 IonicContact OD2-NZ 3.38Å; D204-K371 PolarHBondContact OD2-NZ 3.12Å
205S92.1Very high95.1Very high12 Ų1222.7 Ų22.78%0.08411%0.106CC..  trans-42.7126.5-175.5175.50000112.9Y199 D203 L207 M208 R209Y199-S205 WeakPolarHBondContact OH-CB 3.39Å; D203-S205 VanDerWaalsContact OD1-CA 3.28Å; D203-S205 WeakPolarHBondContact OD1-CA 3.18Å; D203-S205 VanDerWaalsContact OD1-CB 3.25Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.42Å; S205-L207 PolarHBondContact O-N 3.31Å; S205-L207 VanDerWaalsContact O-N 3.12Å; S205-L207 PolarHBondContact OG-N 3.28Å; S205-M208 PolarHBondContact O-N 3.35Å; S205-M208 VanDerWaalsContact O-N 3.08Å; S205-R209 PolarHBondContact O-N 3Å
206P94.4Very high94.9Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-52.6-34.3172.2-28.335.2000112.5R210 R341 I343 W355 D369P206-R210 WeakPolarHBondContact O-CB 3.29Å; P206-R210 PolarHBondContact O-N 3.07Å; P206-R341 HydrophobicContact CG-CB 4.38Å; P206-I343 HydrophobicContact CB-CG1 3.67Å; P206-I343 HydrophobicContact CG-CD1 4.36Å; P206-I343 HydrophobicContact CG-CG1 3.82Å; P206-W355 HydrophobicContact CB-CZ2 4.35Å; P206-W355 WeakPolarHBondContact O-CZ2 3.47Å; P206-D369 HydrophobicContact CG-CB 4.1Å
207L93.2Very high94.6Very high44 Ų4427.4 Ų27.423%0.2313%0.131CC..Hα-helixtrans-65.1-44.8179.2-175.864.2000111.8S205 R210 N211S205-L207 PolarHBondContact O-N 3.31Å; S205-L207 VanDerWaalsContact O-N 3.12Å; S205-L207 PolarHBondContact OG-N 3.28Å; L207-R210 WeakPolarHBondContact O-CB 3.48Å; L207-R210 PolarHBondContact O-N 2.94Å; L207-N211 PolarHBondContact O-N 2.87Å; L207-N211 PolarHBondContact O-ND2 2.87Å
208M95.2Very high94.4Very high2 Ų232 Ų321%0.0115%0.151CC..Hα-helixtrans-72.3-37.1179.1-74.1-45.4118.200112.6E177 V196 Y199 L200 S205 R210 N211 R212E177-M208 HydrophobicContact CG-CE 4.22Å; V196-M208 HydrophobicContact CG1-CB 4.39Å; V196-M208 WeakPolarHBondContact CG1-O 3.27Å; V196-M208 HydrophobicContact CG2-SD 4.12Å; Y199-M208 HydrophobicContact CD1-CB 3.59Å; Y199-M208 HydrophobicContact CD1-CG 3.33Å; Y199-M208 HydrophobicContact CD2-CG 3.86Å; Y199-M208 HydrophobicContact CE1-CB 3.78Å; Y199-M208 HydrophobicContact CE1-CG 3.46Å; Y199-M208 VanDerWaalsContact CE1-CG 3.46Å; Y199-M208 HydrophobicContact CE2-CG 3.97Å; Y199-M208 HydrophobicContact CG-CB 4.22Å; Y199-M208 HydrophobicContact CG-CG 3.54Å; L200-M208 HydrophobicContact CD2-CB 4.06Å; L200-M208 HydrophobicContact CG-CB 4.48Å; S205-M208 PolarHBondContact O-N 3.35Å; S205-M208 VanDerWaalsContact O-N 3.08Å; M208-R210 VanDerWaalsContact C-N 3.28Å; M208-R210 PolarHBondContact O-N 2.9Å; M208-N211 WeakPolarHBondContact CE-ND2 3.5Å; M208-N211 PolarHBondContact O-N 3.4Å; M208-N211 PolarHBondContact SD-ND2 3.11Å; M208-R212 PolarHBondContact O-N 3.16Å
209R95.8Very high94.1Very high40 Ų4035.1 Ų35.115%0.15116%0.163CC..Hα-helixtrans-61.3-38.1170-69.6-175.8169.8164.92.6111.4L200 S205 N211 R212 Y213 Y282 W355L200-R209 HydrophobicContact CD2-CG 3.72Å; S205-R209 PolarHBondContact O-N 3Å; R209-N211 PolarHBondContact O-N 3.25Å; R209-R212 WeakPolarHBondContact O-CB 3.5Å; R209-R212 PolarHBondContact O-N 3.39Å; R209-Y213 WeakPolarHBondContact O-CB 3.1Å; R209-Y213 PolarHBondContact O-N 3.34Å; R209-Y282 HydrophobicContact CB-CE1 4.17Å; R209-Y282 VanDerWaalsContact O-CE1 3.32Å; R209-Y282 WeakPolarHBondContact O-CE1 3.27Å; R209-W355 HydrophobicContact CB-CH2 3.48Å; R209-W355 VanDerWaalsContact CB-CH2 3.48Å; R209-W355 HydrophobicContact CB-CZ2 4.38Å; R209-W355 HydrophobicContact CB-CZ3 4.22Å
210R95.6Very high93.8Very high52 Ų5243 Ų4320%0.19620%0.197CC..Hα-helixtrans-61.6-44.1173.3-165.7-142.287.6-1507.3111.6P206 L207 M208 R212 Y213 F214 W355 L356P206-R210 WeakPolarHBondContact O-CB 3.29Å; P206-R210 PolarHBondContact O-N 3.07Å; L207-R210 WeakPolarHBondContact O-CB 3.48Å; L207-R210 PolarHBondContact O-N 2.94Å; M208-R210 VanDerWaalsContact C-N 3.28Å; M208-R210 PolarHBondContact O-N 2.9Å; R210-R212 VanDerWaalsContact C-N 3.33Å; R210-Y213 WeakPolarHBondContact O-CB 3.45Å; R210-Y213 PolarHBondContact O-N 2.81Å; R210-F214 WeakPolarHBondContact O-CB 3.43Å; R210-F214 PolarHBondContact O-N 3.15Å; R210-W355 VanDerWaalsContact CA-CZ3 3.44Å; R210-W355 HydrophobicContact CB-CD2 3.76Å; R210-W355 HydrophobicContact CB-CE3 4.01Å; R210-W355 HydrophobicContact CB-CG 4.33Å; R210-W355 HydrophobicContact CB-CH2 4.01Å; R210-W355 HydrophobicContact CB-CZ2 3.74Å; R210-W355 HydrophobicContact CB-CZ3 4.14Å; R210-W355 WeakPolarHBondContact CD-O 3.45Å; R210-W355 HydrophobicContact CG-CB 4.22Å; R210-W355 HydrophobicContact CG-CD2 3.54Å; R210-W355 HydrophobicContact CG-CE3 3.99Å; R210-W355 HydrophobicContact CG-CG 3.63Å; R210-W355 HydrophobicContact CG-CZ2 4.43Å; R210-W355 WeakPolarHBondContact CG-O 2.9Å; R210-L356 VanDerWaalsContact CD-C 3.41Å; R210-L356 WeakPolarHBondContact CD-O 3.38Å
211N95.7Very high93.6Very high8 Ų846.6 Ų46.64%0.04321%0.212CC..Hα-helixtrans-63.1-42.8178-64.3-27.3000110.8H180 V196 L207 M208 R209 Y213 F214 Y215H180-N211 PolarHBondContact CE1-ND2 3.14Å; V196-N211 HydrophobicContact CG2-CB 4Å; L207-N211 PolarHBondContact O-N 2.87Å; L207-N211 PolarHBondContact O-ND2 2.87Å; M208-N211 WeakPolarHBondContact CE-ND2 3.5Å; M208-N211 PolarHBondContact O-N 3.4Å; M208-N211 PolarHBondContact SD-ND2 3.11Å; R209-N211 PolarHBondContact O-N 3.25Å; N211-Y213 PolarHBondContact O-N 2.76Å; N211-F214 PolarHBondContact O-N 3.32Å; N211-Y215 HydrophobicContact CB-CD2 4.49Å; N211-Y215 HydrophobicContact CB-CE2 4.04Å; N211-Y215 WeakPolarHBondContact O-CB 3.39Å; N211-Y215 WeakPolarHBondContact O-CD2 3.5Å; N211-Y215 VanDerWaalsContact O-CG 3.25Å; N211-Y215 PolarHBondContact O-N 3.13Å
212R95.8Very high93.4Very high39 Ų3951.4 Ų51.415%0.14724%0.238CC..Hα-helixtrans-58.1-47.5172.4175.1155.7160.634.6-6.8112.4V196 L200 M208 R209 R210 F214 Y215 G216 F225 D278 Y282V196-R212 HydrophobicContact CG1-CB 3.72Å; L200-R212 HydrophobicContact CD1-CB 4.4Å; M208-R212 PolarHBondContact O-N 3.16Å; R209-R212 WeakPolarHBondContact O-CB 3.5Å; R209-R212 PolarHBondContact O-N 3.39Å; R210-R212 VanDerWaalsContact C-N 3.33Å; R212-F214 PolarHBondContact O-N 3.03Å; R212-Y215 PolarHBondContact O-N 3.22Å; R212-G216 PolarHBondContact O-N 3.17Å; R212-F225 HydrophobicContact CB-CD1 4.5Å; R212-F225 HydrophobicContact CB-CE1 4.24Å; R212-F225 HydrophobicContact CG-CD1 3.92Å; R212-F225 HydrophobicContact CG-CE1 3.88Å; R212-F225 HydrophobicContact CG-CG 4.5Å; R212-F225 HydrophobicContact CG-CZ 4.44Å; R212-D278 WeakPolarHBondContact CD-OD2 3.44Å; R212-D278 IonicContact CZ-OD2 2.76Å; R212-D278 IonicContact NE-OD2 3.85Å; R212-D278 PolarHBondContact NE-OD2 3.14Å; R212-Y282 HydrophobicContact CB-CE1 4.31Å; R212-Y282 WeakPolarHBondContact CD-OH 3.43Å; R212-Y282 HydrophobicContact CG-CE1 4.17Å; R212-Y282 HydrophobicContact CG-CE2 4.21Å
213Y95.5Very high93.3Very high20 Ų2056.1 Ų56.18%0.07826%0.26CS..Hα-helixtrans-58.3-47.3176.8176.3-111000112R209 R210 N211 G216 K217 Y282 I285 P286 W355R209-Y213 WeakPolarHBondContact O-CB 3.1Å; R209-Y213 PolarHBondContact O-N 3.34Å; R210-Y213 WeakPolarHBondContact O-CB 3.45Å; R210-Y213 PolarHBondContact O-N 2.81Å; N211-Y213 PolarHBondContact O-N 2.76Å; Y213-G216 PolarHBondContact O-N 2.95Å; Y213-K217 HydrophobicContact CE1-CD 4.03Å; Y213-K217 VanDerWaalsContact CE1-CE 3.43Å; Y213-K217 VanDerWaalsContact CZ-NZ 3.31Å; Y213-K217 PolarHBondContact O-N 3.43Å; Y213-K217 WeakPolarHBondContact OH-CE 3.42Å; Y213-K217 PolarHBondContact OH-NZ 3Å; Y213-Y282 HydrophobicContact CD2-CD1 4.12Å; Y213-Y282 HydrophobicContact CG-CD1 4.44Å; Y213-I285 HydrophobicContact CD1-CD1 4.48Å; Y213-I285 HydrophobicContact CD2-CD1 3.72Å; Y213-I285 HydrophobicContact CE1-CG2 4.15Å; Y213-I285 HydrophobicContact CE2-CB 3.94Å; Y213-I285 HydrophobicContact CE2-CD1 3.94Å; Y213-I285 HydrophobicContact CE2-CG1 4.42Å; Y213-I285 HydrophobicContact CE2-CG2 4.25Å; Y213-I285 HydrophobicContact CG-CD1 3.97Å; Y213-P286 WeakPolarHBondContact OH-CG 3.34Å; Y213-W355 HydrophobicContact CD1-CB 4.4Å; Y213-W355 AromaticContact CD1-CE3 3.97Å; Y213-W355 HydrophobicContact CD1-CE3 3.97Å; Y213-W355 HydrophobicContact CE1-CB 4.37Å; Y213-W355 HydrophobicContact CG-CE3 4.06Å; Y213-W355 HydrophobicContact CG-CZ3 4.45Å
214F93.6Very high93.3Very high78 Ų7856.9 Ų56.934%0.34226%0.264SS..Hα-helixtrans-60.8-51179.1173.5-98.5000112R210 N211 R212 G216 K217 Q218R210-F214 WeakPolarHBondContact O-CB 3.43Å; R210-F214 PolarHBondContact O-N 3.15Å; N211-F214 PolarHBondContact O-N 3.32Å; R212-F214 PolarHBondContact O-N 3.03Å; F214-G216 VanDerWaalsContact C-N 3.31Å; F214-G216 PolarHBondContact O-N 2.85Å; F214-K217 WeakPolarHBondContact O-CB 3.17Å; F214-K217 PolarHBondContact O-N 3.29Å; F214-Q218 VanDerWaalsContact CE1-OE1 3.25Å; F214-Q218 PolarHBondContact O-N 3.42Å
215Y94.4Very high93.4Very high4 Ų456 Ų562%0.01626%0.258CS..Hα-helixtrans-65.3-34.1177.2-64.1-33.6000112.4H180 F184 A192 A193 V196 N211 R212 Q218 Y219 F225H180-Y215 AromaticContact CD2-CE2 3.78Å; H180-Y215 AromaticContact NE2-CE2 3.31Å; H180-Y215 VanDerWaalsContact NE2-CE2 3.31Å; H180-Y215 WeakPolarHBondContact NE2-CE2 3.49Å; H180-Y215 AromaticContact NE2-CZ 3.41Å; H180-Y215 PolarHBondContact NE2-OH 3.5Å; F184-Y215 AromaticContact CD2-CE1 3.96Å; F184-Y215 HydrophobicContact CD2-CE1 3.96Å; F184-Y215 WeakPolarHBondContact CD2-OH 3.44Å; F184-Y215 HydrophobicContact CE2-CE1 4.21Å; A192-Y215 HydrophobicContact CB-CE2 4.29Å; A193-Y215 HydrophobicContact CB-CD2 4.48Å; V196-Y215 HydrophobicContact CG2-CD2 4.42Å; V196-Y215 HydrophobicContact CG2-CE2 4.05Å; N211-Y215 HydrophobicContact CB-CD2 4.49Å; N211-Y215 HydrophobicContact CB-CE2 4.04Å; N211-Y215 WeakPolarHBondContact O-CB 3.39Å; N211-Y215 WeakPolarHBondContact O-CD2 3.5Å; N211-Y215 VanDerWaalsContact O-CG 3.25Å; N211-Y215 PolarHBondContact O-N 3.13Å; R212-Y215 PolarHBondContact O-N 3.22Å; Y215-Q218 PolarHBondContact O-N 2.68Å; Y215-Y219 HydrophobicContact CD1-CD2 4.48Å; Y215-Y219 AromaticContact CD1-CE2 3.74Å; Y215-Y219 HydrophobicContact CD1-CE2 3.74Å; Y215-Y219 HydrophobicContact CG-CD2 4.44Å; Y215-Y219 HydrophobicContact CG-CE2 4.03Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.16Å; Y215-Y219 PolarHBondContact O-N 3.15Å; Y215-F225 HydrophobicContact CD2-CE1 4.36Å
216G93.1Very high93.5Very high19 Ų1959.1 Ų59.120%0.19628%0.277CS..Hα-helixtrans-60.9-44.5174.800000112.1R212 Y213 F214 K220R212-G216 PolarHBondContact O-N 3.17Å; Y213-G216 PolarHBondContact O-N 2.95Å; F214-G216 VanDerWaalsContact C-N 3.31Å; F214-G216 PolarHBondContact O-N 2.85Å; G216-K220 WeakPolarHBondContact O-CA 3.49Å; G216-K220 PolarHBondContact O-N 3.08Å
217K91.8Very high93.6Very high88 Ų8860.2 Ų60.238%0.38328%0.284SS..Hα-helixtrans-61.5-44172.5-77.8-179.6168.2171.20112.3Y213 F214 E354Y213-K217 HydrophobicContact CE1-CD 4.03Å; Y213-K217 VanDerWaalsContact CE1-CE 3.43Å; Y213-K217 VanDerWaalsContact CZ-NZ 3.31Å; Y213-K217 PolarHBondContact O-N 3.43Å; Y213-K217 WeakPolarHBondContact OH-CE 3.42Å; Y213-K217 PolarHBondContact OH-NZ 3Å; F214-K217 WeakPolarHBondContact O-CB 3.17Å; F214-K217 PolarHBondContact O-N 3.29Å; K217-E354 VanDerWaalsContact NZ-CD 3.3Å; K217-E354 IonicContact NZ-OE1 2.88Å; K217-E354 PolarHBondContact NZ-OE1 3.4Å; K217-E354 IonicContact NZ-OE2 3.08Å; K217-E354 PolarHBondContact NZ-OE2 3.39Å
218Q91.9Very high93.7Very high105 Ų10559.6 Ų59.649%0.49128%0.283SS..Hα-helixtrans-72.7-51.2-173.1-177.5175.5-8.900112.7F214 Y215F214-Q218 VanDerWaalsContact CE1-OE1 3.25Å; F214-Q218 PolarHBondContact O-N 3.42Å; Y215-Q218 PolarHBondContact O-N 2.68Å
219Y91.8Very high93.8Very high75 Ų7564.8 Ų64.829%0.29431%0.308SS..Hα-helixtrans-93.3-27.1-172-58.6-59.2000113.4G189 Y215 K221 L224G189-Y219 WeakPolarHBondContact CA-OH 3.38Å; Y215-Y219 HydrophobicContact CD1-CD2 4.48Å; Y215-Y219 AromaticContact CD1-CE2 3.74Å; Y215-Y219 HydrophobicContact CD1-CE2 3.74Å; Y215-Y219 HydrophobicContact CG-CD2 4.44Å; Y215-Y219 HydrophobicContact CG-CE2 4.03Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.16Å; Y215-Y219 PolarHBondContact O-N 3.15Å; Y219-K221 PolarHBondContact O-N 3.2Å; Y219-K221 VanDerWaalsContact O-N 3.17Å; Y219-L224 HydrophobicContact CD2-CD1 4.12Å; Y219-L224 HydrophobicContact CG-CD1 3.97Å
220K91.4Very high93.8Very high176 Ų17668.5 Ų68.577%0.76533%0.327SS*.  trans51.734.2-177.4-55.7-177-179.1-179.50113.7G216G216-K220 WeakPolarHBondContact O-CA 3.49Å; G216-K220 PolarHBondContact O-N 3.08Å
221K92.3Very high93.8Very high108 Ų10866.1 Ų66.147%0.4732%0.318SS..  trans-127.5102.9179.6-73.8-178.5178.2-170.60109.1Y219 E223 L224Y219-K221 PolarHBondContact O-N 3.2Å; Y219-K221 VanDerWaalsContact O-N 3.17Å; K221-E223 PolarHBondContact O-N 3.32Å; K221-L224 HydrophobicContact CB-CD1 3.91Å; K221-L224 HydrophobicContact CB-CG 3.87Å; K221-L224 HydrophobicContact CD-CD1 4.39Å; K221-L224 PolarHBondContact O-N 3.3Å
222N89.6Confident93.8Very high118 Ų11866.5 Ų66.563%0.63132%0.32SS*.G310 helixtrans-69.7-25-179-75.8-17.6000111.8L224 F225N222-L224 PolarHBondContact O-N 3.41Å; N222-L224 VanDerWaalsContact O-N 3.15Å; N222-F225 PolarHBondContact O-N 2.58Å
223E91.9Very high93.8Very high128 Ų12868.3 Ų68.360%0.59833%0.332SS*.G310 helixtrans-63.6-17176.668.1-95.5-163.600114.2K221 F225 T226K221-E223 PolarHBondContact O-N 3.32Å; E223-F225 PolarHBondContact O-N 3.47Å; E223-T226 PolarHBondContact O-OG1 3.49Å
224L93.3Very high93.8Very high38 Ų3867.8 Ų67.820%0.19933%0.331CS..G310 helixtrans-72.8-16.7175-63.1-179.9000112.7A190 A193 Q194 Y219 K221 N222A190-L224 HydrophobicContact CB-CD2 3.91Å; A193-L224 CarbonylContact C-O 3.06Å; A193-L224 HydrophobicContact CB-CB 3.84Å; Q194-L224 WeakPolarHBondContact CA-O 3.34Å; Q194-L224 PolarHBondContact N-O 2.76Å; Q194-L224 VanDerWaalsContact N-O 3.16Å; Y219-L224 HydrophobicContact CD2-CD1 4.12Å; Y219-L224 HydrophobicContact CG-CD1 3.97Å; K221-L224 HydrophobicContact CB-CD1 3.91Å; K221-L224 HydrophobicContact CB-CG 3.87Å; K221-L224 HydrophobicContact CD-CD1 4.39Å; K221-L224 PolarHBondContact O-N 3.3Å; N222-L224 PolarHBondContact O-N 3.41Å; N222-L224 VanDerWaalsContact O-N 3.15Å
225F94.1Very high93.9Very high21 Ų2166.4 Ų66.49%0.09232%0.324CS..G310 helixtrans-102.940.1-180-55.1-81.9000111.4A193 A197 R212 Y215 N222 E223A193-F225 HydrophobicContact CB-CD1 4.07Å; A193-F225 HydrophobicContact CB-CE1 3.77Å; A193-F225 HydrophobicContact CB-CZ 4.19Å; A197-F225 HydrophobicContact CB-CB 4.29Å; A197-F225 WeakPolarHBondContact CB-O 3.38Å; R212-F225 HydrophobicContact CB-CD1 4.5Å; R212-F225 HydrophobicContact CB-CE1 4.24Å; R212-F225 HydrophobicContact CG-CD1 3.92Å; R212-F225 HydrophobicContact CG-CE1 3.88Å; R212-F225 HydrophobicContact CG-CG 4.5Å; R212-F225 HydrophobicContact CG-CZ 4.44Å; Y215-F225 HydrophobicContact CD2-CE1 4.36Å; N222-F225 PolarHBondContact O-N 2.58Å; E223-F225 PolarHBondContact O-N 3.47Å
226T93.6Very high94Very high78 Ų7870 Ų7048%0.47934%0.338SS..PPolyproline II helixtrans-101117.5173.4-58.90000109.3Q194 E223Q194-T226 WeakPolarHBondContact CG-O 3.33Å; Q194-T226 PolarHBondContact NE2-O 2.93Å; Q194-T226 VanDerWaalsContact NE2-O 3.14Å; E223-T226 PolarHBondContact O-OG1 3.49Å
227P96.2Very high94.1Very high23 Ų2372.6 Ų72.615%0.14934%0.341CS..PPolyproline II helixtrans-58.5149.6175.8-22.432.8000111.9A197 N198 L201 L232A197-P227 HydrophobicContact CB-CG 3.95Å; N198-P227 WeakPolarHBondContact OD1-CA 3.48Å; N198-P227 VanDerWaalsContact OD1-CB 3.29Å; N198-P227 WeakPolarHBondContact OD1-CB 3.19Å; L201-P227 HydrophobicContact CD1-CB 3.73Å; L201-P227 HydrophobicContact CD1-CG 4.01Å; L201-P227 HydrophobicContact CD2-CG 4.38Å; L201-P227 HydrophobicContact CG-CB 4.48Å; L201-P227 HydrophobicContact CG-CG 4.25Å; P227-L232 HydrophobicContact CB-CD1 4.34Å; P227-L232 HydrophobicContact CB-CD2 3.92Å; P227-L232 HydrophobicContact CB-CG 3.91Å; P227-L232 HydrophobicContact CG-CD2 4.18Å
228S95.9Very high94.2Very high32 Ų3270.7 Ų70.722%0.22433%0.332CS..PPolyproline II helixtrans-67.6145.4175.350.70000111.3N198 E230 V231 L232N198-S228 PolarHBondContact ND2-OG 3.1Å; N198-S228 VanDerWaalsContact ND2-OG 3.14Å; N198-S228 PolarHBondContact OD1-N 3.26Å; N198-S228 PolarHBondContact OD1-OG 3.31Å; S228-E230 VanDerWaalsContact C-N 3.35Å; S228-E230 PolarHBondContact O-N 3.2Å; S228-V231 PolarHBondContact O-N 2.8Å; S228-V231 VanDerWaalsContact O-N 3.16Å; S228-V231 WeakPolarHBondContact OG-CG2 3.3Å; S228-L232 PolarHBondContact O-N 3.33Å
229Q95.8Very high94.3Very high111 Ų11167.6 Ų67.652%0.51932%0.319SS..Hα-helixtrans-58.2-42.4-175.4-175.363.537.300113.4V231 L232 D233Q229-V231 VanDerWaalsContact C-N 3.31Å; Q229-V231 PolarHBondContact O-N 3.05Å; Q229-L232 WeakPolarHBondContact O-CB 3.5Å; Q229-L232 PolarHBondContact O-N 3.06Å; Q229-D233 PolarHBondContact NE2-OD1 3.05Å; Q229-D233 PolarHBondContact NE2-OD2 3.25Å; Q229-D233 VanDerWaalsContact O-CG 3.29Å; Q229-D233 PolarHBondContact O-N 2.55Å
230E95.9Very high94.5Very high117 Ų11766.8 Ų66.855%0.54732%0.319SS..Hα-helixtrans-58.2-43.7178.4-178.9175.5-143.800112I113 S228 D233 I234I113-E230 HydrophobicContact CD1-CG 4.25Å; S228-E230 VanDerWaalsContact C-N 3.35Å; S228-E230 PolarHBondContact O-N 3.2Å; E230-D233 PolarHBondContact O-N 3.41Å; E230-I234 HydrophobicContact CG-CD1 4.37Å; E230-I234 WeakPolarHBondContact O-CG1 3.47Å; E230-I234 PolarHBondContact O-N 3.2Å; E230-I234 VanDerWaalsContact O-N 3.08Å
231V96.7Very high94.7Very high3 Ų359.1 Ų59.12%0.01829%0.286CS..Hα-helixtrans-68.8-38178.3-178.50000111.3F176 N198 L201 F202 S228 Q229 D233 I234 Y235F176-V231 HydrophobicContact CE1-CG2 4.45Å; F176-V231 HydrophobicContact CE2-CG1 3.97Å; F176-V231 HydrophobicContact CE2-CG2 4.36Å; F176-V231 HydrophobicContact CZ-CG1 4.04Å; F176-V231 HydrophobicContact CZ-CG2 3.61Å; N198-V231 HydrophobicContact CB-CG1 4.26Å; L201-V231 HydrophobicContact CD1-CG1 3.9Å; F202-V231 HydrophobicContact CE2-CG1 3.46Å; F202-V231 VanDerWaalsContact CE2-CG1 3.46Å; F202-V231 HydrophobicContact CZ-CG1 3.78Å; S228-V231 PolarHBondContact O-N 2.8Å; S228-V231 VanDerWaalsContact O-N 3.16Å; S228-V231 WeakPolarHBondContact OG-CG2 3.3Å; Q229-V231 VanDerWaalsContact C-N 3.31Å; Q229-V231 PolarHBondContact O-N 3.05Å; V231-D233 VanDerWaalsContact C-N 3.34Å; V231-I234 PolarHBondContact O-N 3.16Å; V231-Y235 WeakPolarHBondContact O-CB 2.98Å; V231-Y235 PolarHBondContact O-N 3.01Å
232L96.2Very high94.8Very high15 Ų1555.8 Ų55.88%0.07928%0.278CS..Hα-helixtrans-61.3-42.6173-73.3170.5000111.5L201 P227 S228 Q229 I234 Y235 R236 V276L201-L232 HydrophobicContact CD1-CD2 3.87Å; L201-L232 HydrophobicContact CD2-CD2 4.21Å; P227-L232 HydrophobicContact CB-CD1 4.34Å; P227-L232 HydrophobicContact CB-CD2 3.92Å; P227-L232 HydrophobicContact CB-CG 3.91Å; P227-L232 HydrophobicContact CG-CD2 4.18Å; S228-L232 PolarHBondContact O-N 3.33Å; Q229-L232 WeakPolarHBondContact O-CB 3.5Å; Q229-L232 PolarHBondContact O-N 3.06Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-Y235 PolarHBondContact O-N 2.87Å; L232-R236 WeakPolarHBondContact O-CB 3.29Å; L232-R236 VanDerWaalsContact O-CG 3.22Å; L232-R236 WeakPolarHBondContact O-CG 3.15Å; L232-R236 PolarHBondContact O-N 3.44Å; L232-V276 HydrophobicContact CD2-CB 4.05Å; L232-V276 HydrophobicContact CD2-CG1 3.96Å; L232-V276 HydrophobicContact CD2-CG2 4.45Å
233D95.5Very high95Very high77 Ų7753.3 Ų53.341%0.41226%0.26SS..Hα-helixtrans-67.4-38-179-66.7-26.1000111.5Q229 E230 V231 R236 R237Q229-D233 PolarHBondContact NE2-OD1 3.05Å; Q229-D233 PolarHBondContact NE2-OD2 3.25Å; Q229-D233 VanDerWaalsContact O-CG 3.29Å; Q229-D233 PolarHBondContact O-N 2.55Å; E230-D233 PolarHBondContact O-N 3.41Å; V231-D233 VanDerWaalsContact C-N 3.34Å; D233-R236 IonicContact OD1-NH1 3.31Å; D233-R236 PolarHBondContact OD1-NH1 2.95Å; D233-R237 WeakPolarHBondContact O-CB 3.34Å; D233-R237 PolarHBondContact O-N 3.34Å
234I95.5Very high95Very high9 Ų949.3 Ų49.35%0.04624%0.241CC..Hα-helixtrans-63-49.8171.9-67.5166.7000110.8I113 F172 E230 V231 L232 R236 R237 R238I113-I234 HydrophobicContact CD1-CD1 3.96Å; I113-I234 HydrophobicContact CG1-CD1 3.84Å; I113-I234 HydrophobicContact CG2-CD1 4.42Å; F172-I234 HydrophobicContact CE1-CD1 3.63Å; F172-I234 HydrophobicContact CE1-CG2 4.32Å; F172-I234 HydrophobicContact CZ-CD1 3.82Å; F172-I234 HydrophobicContact CZ-CG2 4.28Å; E230-I234 HydrophobicContact CG-CD1 4.37Å; E230-I234 WeakPolarHBondContact O-CG1 3.47Å; E230-I234 PolarHBondContact O-N 3.2Å; E230-I234 VanDerWaalsContact O-N 3.08Å; V231-I234 PolarHBondContact O-N 3.16Å; L232-I234 VanDerWaalsContact C-N 3.34Å; I234-R236 PolarHBondContact O-N 3.17Å; I234-R237 PolarHBondContact O-N 3.01Å; I234-R238 VanDerWaalsContact O-CG 3.3Å; I234-R238 WeakPolarHBondContact O-CG 3.27Å; I234-R238 PolarHBondContact O-N 3.27Å
235Y95.8Very high95.1Very high50 Ų5048.3 Ų48.320%0.19624%0.236CC..Hα-helixtrans-58.7-49178.7173.7-104.1000111.4L201 F202 V231 L232 R237 R238 D239 I274 V276L201-Y235 HydrophobicContact CB-CD2 3.98Å; L201-Y235 HydrophobicContact CB-CE2 4.44Å; L201-Y235 HydrophobicContact CB-CG 4.13Å; L201-Y235 HydrophobicContact CD2-CD1 4.15Å; L201-Y235 HydrophobicContact CD2-CE1 4.32Å; L201-Y235 HydrophobicContact CD2-CG 4.37Å; L201-Y235 VanDerWaalsContact O-CD2 3.27Å; L201-Y235 WeakPolarHBondContact O-CD2 2.92Å; L201-Y235 WeakPolarHBondContact O-CE2 3.3Å; F202-Y235 HydrophobicContact CE1-CD2 4.47Å; V231-Y235 WeakPolarHBondContact O-CB 2.98Å; V231-Y235 PolarHBondContact O-N 3.01Å; L232-Y235 PolarHBondContact O-N 2.87Å; Y235-R237 PolarHBondContact O-N 3.21Å; Y235-R238 PolarHBondContact O-N 2.87Å; Y235-D239 PolarHBondContact O-N 3.16Å; Y235-I274 HydrophobicContact CD1-CG2 4.1Å; Y235-I274 HydrophobicContact CE1-CG2 3.63Å; Y235-V276 HydrophobicContact CD1-CG1 3.94Å; Y235-V276 HydrophobicContact CE1-CG1 3.87Å
236R95.4Very high95Very high80 Ų8052 Ų5230%0.30225%0.253SS..Hα-helixtrans-58.7-47179.9-74.8-176.6-168.4123.21.8111.9L232 D233 I234 R238 D239 L240 I274L232-R236 WeakPolarHBondContact O-CB 3.29Å; L232-R236 VanDerWaalsContact O-CG 3.22Å; L232-R236 WeakPolarHBondContact O-CG 3.15Å; L232-R236 PolarHBondContact O-N 3.44Å; D233-R236 IonicContact OD1-NH1 3.31Å; D233-R236 PolarHBondContact OD1-NH1 2.95Å; I234-R236 PolarHBondContact O-N 3.17Å; R236-R238 VanDerWaalsContact C-N 3.31Å; R236-R238 PolarHBondContact O-N 2.99Å; R236-D239 PolarHBondContact O-N 2.92Å; R236-L240 WeakPolarHBondContact O-CG 2.95Å; R236-L240 PolarHBondContact O-N 3.42Å; R236-L240 VanDerWaalsContact O-N 3.09Å; R236-I274 HydrophobicContact CB-CD1 3.49Å; R236-I274 VanDerWaalsContact CB-CD1 3.49Å; R236-I274 HydrophobicContact CG-CB 4.36Å; R236-I274 HydrophobicContact CG-CD1 3.59Å; R236-I274 HydrophobicContact CG-CG2 4.15Å
237R95Very high94.8Very high72 Ų7251 Ų5127%0.27224%0.242SC..Hα-helixtrans-57.1-47.2177.5-179.1173.571.1-1642.2111D116 D233 I234 Y235 L240 E241D116-R237 IonicContact OD2-NH2 3.17Å; D116-R237 PolarHBondContact OD2-NH2 2.73Å; D233-R237 WeakPolarHBondContact O-CB 3.34Å; D233-R237 PolarHBondContact O-N 3.34Å; I234-R237 PolarHBondContact O-N 3.01Å; Y235-R237 PolarHBondContact O-N 3.21Å; R237-L240 PolarHBondContact O-N 2.9Å; R237-E241 HydrophobicContact CG-CG 4.49Å; R237-E241 WeakPolarHBondContact CG-OE1 3.34Å; R237-E241 WeakPolarHBondContact O-CB 3.33Å; R237-E241 VanDerWaalsContact O-CG 3.24Å; R237-E241 WeakPolarHBondContact O-CG 3.34Å; R237-E241 PolarHBondContact O-N 2.87Å
238R94.6Very high94.5Very high49 Ų4950.5 Ų50.519%0.18524%0.238CC..Hα-helixtrans-65.9-40.7-178.6-70.7-178.464.767.49.9113.1H154 I234 Y235 R236 E241 A242H154-R238 PolarHBondContact CE1-O 3.16Å; H154-R238 PolarHBondContact O-NH1 3.08Å; H154-R238 PolarHBondContact O-NH2 3.33Å; I234-R238 VanDerWaalsContact O-CG 3.3Å; I234-R238 WeakPolarHBondContact O-CG 3.27Å; I234-R238 PolarHBondContact O-N 3.27Å; Y235-R238 PolarHBondContact O-N 2.87Å; R236-R238 VanDerWaalsContact C-N 3.31Å; R236-R238 PolarHBondContact O-N 2.99Å; R238-E241 PolarHBondContact O-N 3.31Å; R238-A242 WeakPolarHBondContact O-CB 3.38Å; R238-A242 PolarHBondContact O-N 3.48Å
239D94.1Very high94Very high40 Ų4054.7 Ų54.721%0.21425%0.254CS..Hα-helixtrans-62.7-44177.5-170.865.8000111Y235 R236 A242 R243 I274Y235-D239 PolarHBondContact O-N 3.16Å; R236-D239 PolarHBondContact O-N 2.92Å; D239-A242 PolarHBondContact O-N 3.16Å; D239-R243 WeakPolarHBondContact O-CG 3.4Å; D239-R243 PolarHBondContact O-N 2.77Å; D239-R243 IonicContact OD2-CZ 2.68Å; D239-R243 IonicContact OD2-NE 2.77Å; D239-R243 PolarHBondContact OD2-NE 2.94Å; D239-R243 IonicContact OD2-NH2 2.73Å; D239-R243 PolarHBondContact OD2-NH2 3.28Å; D239-I274 HydrophobicContact CB-CG2 4.36Å
240L95.3Very high93.6Very high57 Ų5755.4 Ų55.430%0.29826%0.256SS..Hα-helixtrans-65.6-40.9175.7-65.2175.8000112.8R236 R237 R243 F244 L272 I274R236-L240 WeakPolarHBondContact O-CG 2.95Å; R236-L240 PolarHBondContact O-N 3.42Å; R236-L240 VanDerWaalsContact O-N 3.09Å; R237-L240 PolarHBondContact O-N 2.9Å; L240-R243 PolarHBondContact O-N 3.43Å; L240-F244 WeakPolarHBondContact O-CB 3.32Å; L240-F244 PolarHBondContact O-N 2.87Å; L240-L272 HydrophobicContact CD1-CD2 4.2Å; L240-L272 HydrophobicContact CD2-CD2 3.75Å; L240-I274 HydrophobicContact CD1-CD1 3.98Å; L240-I274 HydrophobicContact CD2-CD1 3.93Å; L240-I274 HydrophobicContact CD2-CG1 4.21Å; L240-I274 HydrophobicContact CG-CD1 3.69Å; L240-I274 HydrophobicContact CG-CG1 4.45Å
241E95.6Very high93.1Very high16 Ų1651.8 Ų51.88%0.07524%0.237CC..Hα-helixtrans-59.9-45.2174-73.4169.3172.300111R120 I150 H154 R237 R238 F244 L245R120-E241 IonicContact CZ-OE1 3.55Å; R120-E241 IonicContact NE-OE1 3.94Å; R120-E241 IonicContact NH2-OE1 2.81Å; R120-E241 PolarHBondContact NH2-OE1 3.23Å; I150-E241 HydrophobicContact CG2-CB 3.92Å; I150-E241 HydrophobicContact CG2-CG 4.03Å; H154-E241 HydrophobicContact CB-CB 4.41Å; H154-E241 IonicContact ND1-OE2 2.75Å; R237-E241 HydrophobicContact CG-CG 4.49Å; R237-E241 WeakPolarHBondContact CG-OE1 3.34Å; R237-E241 WeakPolarHBondContact O-CB 3.33Å; R237-E241 VanDerWaalsContact O-CG 3.24Å; R237-E241 WeakPolarHBondContact O-CG 3.34Å; R237-E241 PolarHBondContact O-N 2.87Å; R238-E241 PolarHBondContact O-N 3.31Å; E241-F244 PolarHBondContact O-N 3.43Å; E241-L245 VanDerWaalsContact O-CG 3.28Å; E241-L245 WeakPolarHBondContact O-CG 3.44Å; E241-L245 PolarHBondContact O-N 3.37Å
242A94.6Very high92.2Very high38 Ų3854.4 Ų54.431%0.31425%0.248SC..Hα-helixtrans-62.1-46.3177.600000112.1R238 D239 F244 L245 E246R238-A242 WeakPolarHBondContact O-CB 3.38Å; R238-A242 PolarHBondContact O-N 3.48Å; D239-A242 PolarHBondContact O-N 3.16Å; A242-F244 VanDerWaalsContact C-N 3.32Å; A242-F244 PolarHBondContact O-N 3.03Å; A242-L245 PolarHBondContact O-N 3.18Å; A242-E246 WeakPolarHBondContact O-CB 3.3Å; A242-E246 PolarHBondContact O-N 3.32Å
243R93.4Very high91.1Very high65 Ų6556.7 Ų56.725%0.24526%0.263CS..Hα-helixtrans-59.9-42.3175.8-70.8176.4-166.3-162.41.9112.3D239 L240 E246 F247 S271 D273D239-R243 WeakPolarHBondContact O-CG 3.4Å; D239-R243 PolarHBondContact O-N 2.77Å; D239-R243 IonicContact OD2-CZ 2.68Å; D239-R243 IonicContact OD2-NE 2.77Å; D239-R243 PolarHBondContact OD2-NE 2.94Å; D239-R243 IonicContact OD2-NH2 2.73Å; D239-R243 PolarHBondContact OD2-NH2 3.28Å; L240-R243 PolarHBondContact O-N 3.43Å; R243-E246 PolarHBondContact O-N 2.83Å; R243-F247 WeakPolarHBondContact O-CB 3.35Å; R243-F247 PolarHBondContact O-N 3.33Å; R243-S271 PolarHBondContact NH1-O 3.45Å; R243-D273 PolarHBondContact NH1-O 3.44Å; R243-D273 PolarHBondContact NH2-O 3.49Å
244F93.1Very high90Very high44 Ų4456.3 Ų56.319%0.19326%0.263CS..Hα-helixtrans-61.7-46.9176.1177.7-89.2000110.9R146 A147 I150 L240 E241 A242 E246 F247 M248 L270R146-F244 HydrophobicContact CG-CE1 4.47Å; R146-F244 HydrophobicContact CG-CZ 4.17Å; A147-F244 HydrophobicContact CB-CE1 4.21Å; I150-F244 HydrophobicContact CB-CD1 4.34Å; I150-F244 HydrophobicContact CD1-CD1 3.28Å; I150-F244 HydrophobicContact CD1-CD2 4.45Å; I150-F244 HydrophobicContact CD1-CE1 3.39Å; I150-F244 HydrophobicContact CD1-CG 3.87Å; I150-F244 HydrophobicContact CD1-CZ 4.04Å; I150-F244 HydrophobicContact CG1-CD1 4.36Å; I150-F244 HydrophobicContact CG1-CE1 4.44Å; I150-F244 HydrophobicContact CG2-CD1 4.18Å; L240-F244 WeakPolarHBondContact O-CB 3.32Å; L240-F244 PolarHBondContact O-N 2.87Å; E241-F244 PolarHBondContact O-N 3.43Å; A242-F244 VanDerWaalsContact C-N 3.32Å; A242-F244 PolarHBondContact O-N 3.03Å; F244-E246 PolarHBondContact O-N 3.49Å; F244-F247 WeakPolarHBondContact O-CB 3.4Å; F244-F247 PolarHBondContact O-N 3.41Å; F244-M248 HydrophobicContact CD1-CG 3.91Å; F244-M248 HydrophobicContact CE1-CG 3.38Å; F244-M248 HydrophobicContact CE1-SD 4.18Å; F244-M248 HydrophobicContact CE2-CG 4.27Å; F244-M248 HydrophobicContact CE2-SD 4.34Å; F244-M248 HydrophobicContact CZ-CG 3.6Å; F244-M248 HydrophobicContact CZ-SD 3.78Å; F244-M248 VanDerWaalsContact O-CG 3.28Å; F244-M248 WeakPolarHBondContact O-CG 3.43Å; F244-M248 PolarHBondContact O-N 3.07Å; F244-L270 HydrophobicContact CD2-CD1 3.9Å
245L93.8Very high88.8Confident18 Ų1862.9 Ų62.99%0.09429%0.291CS..Hα-helixtrans-62.6-42178.2-68.9172000111.9I150 R151 H154 E241 A242 F247 M248 E249I150-L245 HydrophobicContact CB-CD2 4.17Å; I150-L245 HydrophobicContact CG2-CD1 4.08Å; I150-L245 HydrophobicContact CG2-CD2 3.89Å; I150-L245 HydrophobicContact CG2-CG 3.8Å; R151-L245 HydrophobicContact CB-CD1 4.27Å; R151-L245 HydrophobicContact CB-CD2 3.79Å; H154-L245 HydrophobicContact CB-CD1 3.93Å; E241-L245 VanDerWaalsContact O-CG 3.28Å; E241-L245 WeakPolarHBondContact O-CG 3.44Å; E241-L245 PolarHBondContact O-N 3.37Å; A242-L245 PolarHBondContact O-N 3.18Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 3.39Å; L245-M248 WeakPolarHBondContact O-CB 3.46Å; L245-M248 PolarHBondContact O-N 3.19Å; L245-E249 WeakPolarHBondContact O-CB 3.1Å; L245-E249 WeakPolarHBondContact O-CG 3.46Å; L245-E249 PolarHBondContact O-N 3.47Å
246E92.5Very high87.8Confident98 Ų9868.8 Ų68.846%0.45833%0.326SS..Hα-helixtrans-60.8-42.9175.7-174.5-176.8-177.800111.8A242 R243 F244 E249 K250A242-E246 WeakPolarHBondContact O-CB 3.3Å; A242-E246 PolarHBondContact O-N 3.32Å; R243-E246 PolarHBondContact O-N 2.83Å; F244-E246 PolarHBondContact O-N 3.49Å; E246-E249 PolarHBondContact O-N 3.29Å; E246-K250 HydrophobicContact CG-CD 4.19Å; E246-K250 WeakPolarHBondContact O-CB 3.42Å; E246-K250 VanDerWaalsContact O-CG 3.31Å; E246-K250 WeakPolarHBondContact O-CG 3.48Å; E246-K250 PolarHBondContact O-N 3.32Å; E246-K250 WeakPolarHBondContact OE1-CE 3.46Å; E246-K250 IonicContact OE1-NZ 3.22Å; E246-K250 PolarHBondContact OE1-NZ 2.82Å
247F90.4Very high86.8Confident57 Ų5768.1 Ų68.125%0.2535%0.345CS..Hα-helixtrans-60.6-46.2174.2173.5-99.3000111.4R243 F244 L245 E249 K250 R251 F252 L270R243-F247 WeakPolarHBondContact O-CB 3.35Å; R243-F247 PolarHBondContact O-N 3.33Å; F244-F247 WeakPolarHBondContact O-CB 3.4Å; F244-F247 PolarHBondContact O-N 3.41Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 3.39Å; F247-E249 PolarHBondContact O-N 3.19Å; F247-K250 PolarHBondContact O-N 3.35Å; F247-R251 HydrophobicContact CD2-CG 3.95Å; F247-R251 HydrophobicContact CE2-CB 4.4Å; F247-R251 HydrophobicContact CE2-CG 3.68Å; F247-R251 HydrophobicContact CZ-CB 4.37Å; F247-R251 HydrophobicContact CZ-CG 4.11Å; F247-R251 WeakPolarHBondContact O-CB 3.26Å; F247-R251 PolarHBondContact O-N 2.91Å; F247-F252 HydrophobicContact CD1-CE2 4.43Å; F247-F252 HydrophobicContact CE1-CD2 4.27Å; F247-F252 AromaticContact CE1-CE2 3.62Å; F247-F252 HydrophobicContact CE1-CE2 3.62Å; F247-F252 HydrophobicContact CZ-CE2 4.12Å; F247-L270 HydrophobicContact CB-CD2 4.24Å; F247-L270 HydrophobicContact CG-CD2 4.48Å
248M88.6Confident85.9Confident12 Ų1271.8 Ų71.86%0.05937%0.365CS..Hα-helixtrans-61.4-44.5177.9-71-57.5-56.700112.3A143 A147 F244 L245 K250 R251 F252A143-M248 HydrophobicContact CB-CE 3.59Å; A143-M248 HydrophobicContact CB-SD 4.34Å; A143-M248 WeakPolarHBondContact O-CE 3.4Å; A147-M248 HydrophobicContact CB-CB 4.09Å; A147-M248 HydrophobicContact CB-CE 3.93Å; A147-M248 HydrophobicContact CB-CG 3.89Å; F244-M248 HydrophobicContact CD1-CG 3.91Å; F244-M248 HydrophobicContact CE1-CG 3.38Å; F244-M248 HydrophobicContact CE1-SD 4.18Å; F244-M248 HydrophobicContact CE2-CG 4.27Å; F244-M248 HydrophobicContact CE2-SD 4.34Å; F244-M248 HydrophobicContact CZ-CG 3.6Å; F244-M248 HydrophobicContact CZ-SD 3.78Å; F244-M248 VanDerWaalsContact O-CG 3.28Å; F244-M248 WeakPolarHBondContact O-CG 3.43Å; F244-M248 PolarHBondContact O-N 3.07Å; L245-M248 WeakPolarHBondContact O-CB 3.46Å; L245-M248 PolarHBondContact O-N 3.19Å; M248-K250 VanDerWaalsContact C-N 3.27Å; M248-K250 PolarHBondContact O-N 3.38Å; M248-R251 PolarHBondContact O-N 3.42Å; M248-F252 HydrophobicContact CE-CB 3.48Å; M248-F252 VanDerWaalsContact CE-CB 3.48Å; M248-F252 HydrophobicContact CE-CD1 4.06Å; M248-F252 HydrophobicContact CE-CD2 3.65Å; M248-F252 HydrophobicContact CE-CE2 4.42Å; M248-F252 HydrophobicContact CE-CG 3.44Å; M248-F252 VanDerWaalsContact CE-CG 3.44Å; M248-F252 WeakPolarHBondContact O-CA 3.4Å; M248-F252 WeakPolarHBondContact O-CB 3.27Å; M248-F252 PolarHBondContact O-N 3.42Å; M248-F252 HydrophobicContact SD-CB 4.44Å; M248-F252 HydrophobicContact SD-CD2 3.55Å; M248-F252 VanDerWaalsContact SD-CD2 3.55Å; M248-F252 HydrophobicContact SD-CE2 3.98Å; M248-F252 HydrophobicContact SD-CG 4.02Å
249E86.6Confident85.3Confident121 Ų12172.3 Ų72.357%0.56537%0.371SS*.Hα-helixtrans-66.3-28.7177.7-72.7177.1178.700113L245 E246 F247 V253L245-E249 WeakPolarHBondContact O-CB 3.1Å; L245-E249 WeakPolarHBondContact O-CG 3.46Å; L245-E249 PolarHBondContact O-N 3.47Å; E246-E249 PolarHBondContact O-N 3.29Å; F247-E249 PolarHBondContact O-N 3.19Å; E249-V253 WeakPolarHBondContact O-CG2 3.43Å
250K87Confident84.8Confident125 Ų12572.3 Ų72.354%0.54337%0.373SS..Hα-helixtrans-83-35.3177.6-75.5176.4-179.1172.30113.7E246 F247 M248 P260E246-K250 HydrophobicContact CG-CD 4.19Å; E246-K250 WeakPolarHBondContact O-CB 3.42Å; E246-K250 VanDerWaalsContact O-CG 3.31Å; E246-K250 WeakPolarHBondContact O-CG 3.48Å; E246-K250 PolarHBondContact O-N 3.32Å; E246-K250 WeakPolarHBondContact OE1-CE 3.46Å; E246-K250 IonicContact OE1-NZ 3.22Å; E246-K250 PolarHBondContact OE1-NZ 2.82Å; F247-K250 PolarHBondContact O-N 3.35Å; M248-K250 VanDerWaalsContact C-N 3.27Å; M248-K250 PolarHBondContact O-N 3.38Å; K250-P260 WeakPolarHBondContact O-CG 3.38Å
251R84.4Confident84.4Confident42 Ų4274.7 Ų74.716%0.15839%0.392CS..Hα-helixtrans-110.6-25.4-168.8-60.9-55.5-168.1-168.74.6114.9F247 M248 D265 D266F247-R251 HydrophobicContact CD2-CG 3.95Å; F247-R251 HydrophobicContact CE2-CB 4.4Å; F247-R251 HydrophobicContact CE2-CG 3.68Å; F247-R251 HydrophobicContact CZ-CB 4.37Å; F247-R251 HydrophobicContact CZ-CG 4.11Å; F247-R251 WeakPolarHBondContact O-CB 3.26Å; F247-R251 PolarHBondContact O-N 2.91Å; M248-R251 PolarHBondContact O-N 3.42Å; R251-D265 IonicContact NH2-OD1 3.84Å; R251-D265 IonicContact NH2-OD2 3.8Å; R251-D266 IonicContact CZ-OD1 3.65Å; R251-D266 IonicContact CZ-OD2 2.85Å; R251-D266 VanDerWaalsContact NE-CG 3.3Å; R251-D266 IonicContact NE-OD1 2.9Å; R251-D266 PolarHBondContact NE-OD1 3.18Å; R251-D266 IonicContact NE-OD2 3.36Å; R251-D266 PolarHBondContact NE-OD2 2.78Å; R251-D266 IonicContact NH1-OD2 3.66Å; R251-D266 IonicContact NH2-OD1 2.78Å; R251-D266 PolarHBondContact NH2-OD1 3.09Å; R251-D266 IonicContact NH2-OD2 2.81Å
252F78.6Confident83.9Confident58 Ų5879.8 Ų79.825%0.25442%0.415SS..SBendtrans-113.623.2-174-70-94.7000112.7A143 F247 M248A143-F252 HydrophobicContact CB-CD1 3.85Å; A143-F252 HydrophobicContact CB-CE1 3.76Å; A143-F252 HydrophobicContact CB-CG 4.48Å; A143-F252 HydrophobicContact CB-CZ 4.34Å; F247-F252 HydrophobicContact CD1-CE2 4.43Å; F247-F252 HydrophobicContact CE1-CD2 4.27Å; F247-F252 AromaticContact CE1-CE2 3.62Å; F247-F252 HydrophobicContact CE1-CE2 3.62Å; F247-F252 HydrophobicContact CZ-CE2 4.12Å; M248-F252 HydrophobicContact CE-CB 3.48Å; M248-F252 VanDerWaalsContact CE-CB 3.48Å; M248-F252 HydrophobicContact CE-CD1 4.06Å; M248-F252 HydrophobicContact CE-CD2 3.65Å; M248-F252 HydrophobicContact CE-CE2 4.42Å; M248-F252 HydrophobicContact CE-CG 3.44Å; M248-F252 VanDerWaalsContact CE-CG 3.44Å; M248-F252 WeakPolarHBondContact O-CA 3.4Å; M248-F252 WeakPolarHBondContact O-CB 3.27Å; M248-F252 PolarHBondContact O-N 3.42Å; M248-F252 HydrophobicContact SD-CB 4.44Å; M248-F252 HydrophobicContact SD-CD2 3.55Å; M248-F252 VanDerWaalsContact SD-CD2 3.55Å; M248-F252 HydrophobicContact SD-CE2 3.98Å; M248-F252 HydrophobicContact SD-CG 4.02Å
253V73.9Confident83.6Confident63 Ų6382.4 Ų82.438%0.38242%0.421SS..  trans-102.8115.5172.5176.20000109.3E249 K255 P260E249-V253 WeakPolarHBondContact O-CG2 3.43Å; V253-K255 HydrophobicContact CG1-CG 4.43Å; V253-K255 PolarHBondContact O-N 2.92Å; V253-P260 WeakPolarHBondContact O-CD 3.42Å
254V71.3Confident83.3Confident69 Ų6983.6 Ų83.642%0.41845%0.445SS..  trans-67.9119.4175.9-178.30000109.4G257 E258 L259V254-G257 VanDerWaalsContact CG1-C 3.47Å; V254-E258 WeakPolarHBondContact CA-O 3.36Å; V254-L259 HydrophobicContact CG2-CD2 3.93Å
255K71.2Confident83Confident146 Ų14685.4 Ų85.464%0.63546%0.457SS*.BIsolated β-bridgetrans-118.4130.1172.7-70-175.5179.3176.50108.4V253 G257 E258V253-K255 HydrophobicContact CG1-CG 4.43Å; V253-K255 PolarHBondContact O-N 2.92Å; K255-G257 PolarHBondContact O-N 2.98Å; K255-G257 VanDerWaalsContact O-N 3.11Å; K255-E258 PolarHBondContact N-O 3.39Å; K255-E258 PolarHBondContact O-N 3.45Å
256D75.4Confident82.5Confident174 Ų17486.3 Ų86.393%0.9346%0.462SS*.THydrogen-bonded Turntrans55.128-177.6-56.1-45.2000114.4E258D256-E258 VanDerWaalsContact C-N 3.33Å
257G73.1Confident82.1Confident67 Ų6790.7 Ų90.769%0.69147%0.474SS*.THydrogen-bonded Turntrans84.31-179.800000114.9V254 K255V254-G257 VanDerWaalsContact CG1-C 3.47Å; K255-G257 PolarHBondContact O-N 2.98Å; K255-G257 VanDerWaalsContact O-N 3.11Å
258E76.5Confident82Confident149 Ų14993.1 Ų93.170%0.69649%0.49SS*.BIsolated β-bridgetrans-124.6154.3178.9-64.2-174.3170.900111.6V254 K255 D256V254-E258 WeakPolarHBondContact CA-O 3.36Å; K255-E258 PolarHBondContact N-O 3.39Å; K255-E258 PolarHBondContact O-N 3.45Å; D256-E258 VanDerWaalsContact C-N 3.33Å
259L81Confident82Confident60 Ų6098.2 Ų98.231%0.31452%0.524SS..PPolyproline II helixtrans-77.6152.7167.6-73.2178.4000110.4I140 V254I140-L259 HydrophobicContact CD1-CD1 3.56Å; I140-L259 HydrophobicContact CD1-CG 4.25Å; I140-L259 HydrophobicContact CG1-CD1 3.91Å; V254-L259 HydrophobicContact CG2-CD2 3.93Å
260P85.3Confident82Confident40 Ų4096.2 Ų96.226%0.2652%0.516SS..PPolyproline II helixtrans-53.1141.2167.5-23.733.9000111K250 V253 E262K250-P260 WeakPolarHBondContact O-CG 3.38Å; V253-P260 WeakPolarHBondContact O-CD 3.42Å; P260-E262 PolarHBondContact O-N 3.42Å
261P85.4Confident82.1Confident106 Ų10693 Ų9369%0.68851%0.51SS*.PPolyproline II helixtrans-61.5135.7178.624.5-33.2000111Q263P261-Q263 PolarHBondContact O-N 3.22Å
262E85.1Confident82.3Confident123 Ų12397.1 Ų97.158%0.57553%0.534SS*.PPolyproline II helixtrans-56.7132.6175-169.5-167.7171.800109.8P260 D266 R267P260-E262 PolarHBondContact O-N 3.42Å; E262-D266 HydrophobicContact CG-CB 4.28Å; E262-R267 WeakPolarHBondContact OE1-CG 3.33Å; E262-R267 IonicContact OE1-CZ 3.57Å; E262-R267 IonicContact OE1-NE 2.87Å; E262-R267 PolarHBondContact OE1-NE 2.85Å; E262-R267 IonicContact OE1-NH2 3.22Å; E262-R267 PolarHBondContact OE1-NH2 2.87Å; E262-R267 IonicContact OE2-NH2 2.78Å; E262-R267 PolarHBondContact OE2-NH2 3.33Å
263Q88.4Confident82.8Confident93 Ų9399.7 Ų99.744%0.43555%0.551SS.*  trans-106.1156.2174.6-63.7-179.811.100110.2P261 D265 D266P261-Q263 PolarHBondContact O-N 3.22Å; Q263-D265 WeakPolarHBondContact CB-OD1 3.5Å; Q263-D265 PolarHBondContact O-N 2.88Å; Q263-D265 PolarHBondContact OE1-OD1 2.73Å; Q263-D266 PolarHBondContact N-OD2 2.98Å; Q263-D266 WeakPolarHBondContact O-CB 2.99Å; Q263-D266 PolarHBondContact O-N 2.79Å
264A87.4Confident83.4Confident90 Ų9098.1 Ų98.174%0.74454%0.54SS*.G310 helixtrans-61.4-28.5-17700000112.9D266A264-D266 VanDerWaalsContact C-N 3.34Å
265D86.3Confident84.1Confident83 Ų83101.1 Ų101.144%0.44455%0.549SS..G310 helixtrans-73.9-20.5176.662-28.9000113.5R251 Q263 R267 N268R251-D265 IonicContact NH2-OD1 3.84Å; R251-D265 IonicContact NH2-OD2 3.8Å; Q263-D265 WeakPolarHBondContact CB-OD1 3.5Å; Q263-D265 PolarHBondContact O-N 2.88Å; Q263-D265 PolarHBondContact OE1-OD1 2.73Å; D265-R267 PolarHBondContact O-N 3.3Å; D265-N268 VanDerWaalsContact O-CB 3.26Å; D265-N268 WeakPolarHBondContact O-CB 3.21Å; D265-N268 PolarHBondContact O-N 3.2Å
266D83.9Confident84.9Confident36 Ų3696 Ų9619%0.19353%0.529CS..G310 helixtrans-65.8-18.1177.2-63.9-30.2000112.8R251 E262 Q263 A264 N268R251-D266 IonicContact CZ-OD1 3.65Å; R251-D266 IonicContact CZ-OD2 2.85Å; R251-D266 VanDerWaalsContact NE-CG 3.3Å; R251-D266 IonicContact NE-OD1 2.9Å; R251-D266 PolarHBondContact NE-OD1 3.18Å; R251-D266 IonicContact NE-OD2 3.36Å; R251-D266 PolarHBondContact NE-OD2 2.78Å; R251-D266 IonicContact NH1-OD2 3.66Å; R251-D266 IonicContact NH2-OD1 2.78Å; R251-D266 PolarHBondContact NH2-OD1 3.09Å; R251-D266 IonicContact NH2-OD2 2.81Å; E262-D266 HydrophobicContact CG-CB 4.28Å; Q263-D266 PolarHBondContact N-OD2 2.98Å; Q263-D266 WeakPolarHBondContact O-CB 2.99Å; Q263-D266 PolarHBondContact O-N 2.79Å; A264-D266 VanDerWaalsContact C-N 3.34Å; D266-N268 VanDerWaalsContact C-N 3.33Å
267R84.4Confident85.4Confident191 Ų19193.2 Ų93.272%0.72151%0.511SS*.G310 helixtrans-83.4-11174.5-61.8-173.4179.3-164.9-1.6113.3E262 D265E262-R267 WeakPolarHBondContact OE1-CG 3.33Å; E262-R267 IonicContact OE1-CZ 3.57Å; E262-R267 IonicContact OE1-NE 2.87Å; E262-R267 PolarHBondContact OE1-NE 2.85Å; E262-R267 IonicContact OE1-NH2 3.22Å; E262-R267 PolarHBondContact OE1-NH2 2.87Å; E262-R267 IonicContact OE2-NH2 2.78Å; E262-R267 PolarHBondContact OE2-NH2 3.33Å; D265-R267 PolarHBondContact O-N 3.3Å
268N88.9Confident86.2Confident108 Ų10892.4 Ų92.458%0.57849%0.491SS*.SBendtrans-74.4143.6176.7-64.5-31000109.5D265 D266D265-N268 VanDerWaalsContact O-CB 3.26Å; D265-N268 WeakPolarHBondContact O-CB 3.21Å; D265-N268 PolarHBondContact O-N 3.2Å; D266-N268 VanDerWaalsContact C-N 3.33Å
269P87.6Confident86.8Confident119 Ų11991.6 Ų91.677%0.77349%0.491SS*.PPolyproline II helixtrans-60.2142.2171.126.9-33.4000110S271P269-S271 PolarHBondContact O-N 3.44Å
270L86.6Confident87.5Confident79 Ų7989.5 Ų89.541%0.41448%0.48SS..PPolyproline II helixtrans-54124.1170.3-83.2159.8000109.1F244 F247 L272F244-L270 HydrophobicContact CD2-CD1 3.9Å; F247-L270 HydrophobicContact CB-CD2 4.24Å; F247-L270 HydrophobicContact CG-CD2 4.48Å; L270-L272 PolarHBondContact O-N 2.99Å
271S89.1Confident87.9Confident57 Ų5789.6 Ų89.640%0.39948%0.48SS..PPolyproline II helixtrans-61.3124.2179.1170.10000109.8R243 P269 D273R243-S271 PolarHBondContact NH1-O 3.45Å; P269-S271 PolarHBondContact O-N 3.44Å; S271-D273 VanDerWaalsContact C-N 3.28Å; S271-D273 WeakPolarHBondContact OG-CB 3.46Å; S271-D273 PolarHBondContact OG-N 3.29Å; S271-D273 VanDerWaalsContact OG-N 3.16Å; S271-D273 PolarHBondContact OG-OD2 3.47Å
272L89.3Confident88.3Confident128 Ų12885.8 Ų85.867%0.6745%0.452SS*.  trans-91.77.1173.7-56.4-178.7000112L240 L270 I274L240-L272 HydrophobicContact CD1-CD2 4.2Å; L240-L272 HydrophobicContact CD2-CD2 3.75Å; L270-L272 PolarHBondContact O-N 2.99Å; L272-I274 PolarHBondContact O-N 2.93Å
273D88.8Confident88.7Confident113 Ų11388.6 Ų88.660%0.60447%0.466SS*.  trans-76.2113.9-179.7-56.4-50000108.9R243 S271R243-D273 PolarHBondContact NH1-O 3.44Å; R243-D273 PolarHBondContact NH2-O 3.49Å; S271-D273 VanDerWaalsContact C-N 3.28Å; S271-D273 WeakPolarHBondContact OG-CB 3.46Å; S271-D273 PolarHBondContact OG-N 3.29Å; S271-D273 VanDerWaalsContact OG-N 3.16Å; S271-D273 PolarHBondContact OG-OD2 3.47Å
274I87.4Confident89Confident30 Ų3088.8 Ų88.815%0.15447%0.466CS..  trans-115.5115.8-177.2-57.4167.3000107.5Y235 R236 D239 L240 L272 V276Y235-I274 HydrophobicContact CD1-CG2 4.1Å; Y235-I274 HydrophobicContact CE1-CG2 3.63Å; R236-I274 HydrophobicContact CB-CD1 3.49Å; R236-I274 VanDerWaalsContact CB-CD1 3.49Å; R236-I274 HydrophobicContact CG-CB 4.36Å; R236-I274 HydrophobicContact CG-CD1 3.59Å; R236-I274 HydrophobicContact CG-CG2 4.15Å; D239-I274 HydrophobicContact CB-CG2 4.36Å; L240-I274 HydrophobicContact CD1-CD1 3.98Å; L240-I274 HydrophobicContact CD2-CD1 3.93Å; L240-I274 HydrophobicContact CD2-CG1 4.21Å; L240-I274 HydrophobicContact CG-CD1 3.69Å; L240-I274 HydrophobicContact CG-CG1 4.45Å; L272-I274 PolarHBondContact O-N 2.93Å; I274-V276 HydrophobicContact CG2-CG1 4.04Å; I274-V276 PolarHBondContact O-N 3.38Å
275H84.9Confident89.3Confident131 Ų13184.5 Ų84.561%0.60643%0.431SS*.  trans-78.8115.2175.6-61.1-62.3000108.8
276V87.2Confident89.6Confident38 Ų3884.5 Ų84.523%0.2344%0.436CS..  trans-114.6-9.1179.4-63.10000111.8L201 L232 Y235 I274L201-V276 HydrophobicContact CD2-CB 4.21Å; L201-V276 HydrophobicContact CD2-CG1 4.49Å; L232-V276 HydrophobicContact CD2-CB 4.05Å; L232-V276 HydrophobicContact CD2-CG1 3.96Å; L232-V276 HydrophobicContact CD2-CG2 4.45Å; Y235-V276 HydrophobicContact CD1-CG1 3.94Å; Y235-V276 HydrophobicContact CE1-CG1 3.87Å; I274-V276 HydrophobicContact CG2-CG1 4.04Å; I274-V276 PolarHBondContact O-N 3.38Å
277E86.3Confident90Very high117 Ų11786.7 Ų86.755%0.54745%0.453SS..SBendtrans-74.2129.4-179.5-60.876.6-166.700110.9N279E277-N279 PolarHBondContact O-N 3.49Å; E277-N279 PolarHBondContact O-ND2 3.45Å
278D89.7Confident90.5Very high50 Ų5077.9 Ų77.927%0.26742%0.421SS..  trans-7495169.9178.414.3000110.2R212 F280 Y282R212-D278 WeakPolarHBondContact CD-OD2 3.44Å; R212-D278 IonicContact CZ-OD2 2.76Å; R212-D278 IonicContact NE-OD2 3.85Å; R212-D278 PolarHBondContact NE-OD2 3.14Å; D278-F280 PolarHBondContact O-N 3.23Å; D278-F280 WeakPolarHBondContact OD1-CB 3.47Å; D278-F280 PolarHBondContact OD1-N 3.04Å; D278-F280 VanDerWaalsContact OD1-N 3.09Å; D278-Y282 WeakPolarHBondContact OD2-CE2 3.22Å; D278-Y282 VanDerWaalsContact OD2-CZ 3.28Å; D278-Y282 PolarHBondContact OD2-OH 3.49Å
279N90.6Very high90.7Very high131 Ų13173.2 Ų73.270%0.70140%0.395SS*.  trans-85.514.5179.5-64.7-47.6000113.4E277E277-N279 PolarHBondContact O-N 3.49Å; E277-N279 PolarHBondContact O-ND2 3.45Å
280F94.3Very high90.9Very high16 Ų1670.6 Ų70.67%0.0738%0.377CS..  trans-64.2131.9178-173.2-96.8000111.1D278 Y282 I285 L319 W320 W355D278-F280 PolarHBondContact O-N 3.23Å; D278-F280 WeakPolarHBondContact OD1-CB 3.47Å; D278-F280 PolarHBondContact OD1-N 3.04Å; D278-F280 VanDerWaalsContact OD1-N 3.09Å; F280-Y282 VanDerWaalsContact C-N 3.27Å; F280-Y282 HydrophobicContact CB-CD2 4.34Å; F280-Y282 HydrophobicContact CB-CE2 3.77Å; F280-Y282 AromaticContact CD1-CD1 3.62Å; F280-Y282 HydrophobicContact CD1-CD1 3.62Å; F280-Y282 HydrophobicContact CD1-CD2 4.1Å; F280-Y282 AromaticContact CD1-CE1 3.48Å; F280-Y282 HydrophobicContact CD1-CE1 3.48Å; F280-Y282 VanDerWaalsContact CD1-CE1 3.48Å; F280-Y282 AromaticContact CD1-CE2 3.96Å; F280-Y282 HydrophobicContact CD1-CE2 3.96Å; F280-Y282 AromaticContact CD1-CG 3.93Å; F280-Y282 HydrophobicContact CD1-CG 3.93Å; F280-Y282 AromaticContact CD1-CZ 3.66Å; F280-Y282 HydrophobicContact CE1-CD1 4.08Å; F280-Y282 HydrophobicContact CE1-CE1 4.11Å; F280-Y282 HydrophobicContact CG-CE1 4.4Å; F280-Y282 HydrophobicContact CG-CE2 4.35Å; F280-Y282 WeakPolarHBondContact O-CD2 3.3Å; F280-Y282 PolarHBondContact O-N 3.33Å; F280-I285 HydrophobicContact CE1-CD1 4.02Å; F280-I285 HydrophobicContact CE1-CG1 4.46Å; F280-L319 HydrophobicContact CE2-CB 4.14Å; F280-L319 HydrophobicContact CZ-CB 4.09Å; F280-W320 HydrophobicContact CE1-CH2 4.37Å; F280-W320 AromaticContact CE1-CZ2 3.95Å; F280-W320 HydrophobicContact CE1-CZ2 3.95Å; F280-W320 HydrophobicContact CE2-CD2 4.39Å; F280-W320 AromaticContact CE2-CE2 3.88Å; F280-W320 HydrophobicContact CE2-CZ2 4.02Å; F280-W320 AromaticContact CE2-NE1 3.99Å; F280-W320 HydrophobicContact CZ-CD2 4.26Å; F280-W320 AromaticContact CZ-CE2 3.57Å; F280-W320 AromaticContact CZ-CH2 3.7Å; F280-W320 HydrophobicContact CZ-CH2 3.7Å; F280-W320 AromaticContact CZ-CZ2 3.23Å; F280-W320 HydrophobicContact CZ-CZ2 3.23Å; F280-W320 HydrophobicContact CZ-CZ3 4.38Å; F280-W355 HydrophobicContact CE1-CZ3 4.45Å
281P94.7Very high91Very high42 Ų4270.7 Ų70.727%0.27339%0.385SS..  trans-80.367.4-172.233-37.2000112.6E283 Q284 L319P281-E283 PolarHBondContact O-N 2.86Å; P281-E283 VanDerWaalsContact O-N 3.1Å; P281-Q284 HydrophobicContact CB-CB 4.49Å; P281-Q284 HydrophobicContact CB-CG 4.03Å; P281-Q284 WeakPolarHBondContact O-CB 3.34Å; P281-Q284 PolarHBondContact O-N 3.11Å; P281-L319 HydrophobicContact CG-CD1 4.38Å; P281-L319 HydrophobicContact CG-CD2 3.83Å; P281-L319 HydrophobicContact CG-CG 4.5Å
282Y94.2Very high90.9Very high26 Ų2672.1 Ų72.110%0.10240%0.395CS..G310 helixtrans-55.3-29.9-179.4-66.9-74.6000114.1R209 R212 Y213 D278 F280 Q284 I285 W355R209-Y282 HydrophobicContact CB-CE1 4.17Å; R209-Y282 VanDerWaalsContact O-CE1 3.32Å; R209-Y282 WeakPolarHBondContact O-CE1 3.27Å; R212-Y282 HydrophobicContact CB-CE1 4.31Å; R212-Y282 WeakPolarHBondContact CD-OH 3.43Å; R212-Y282 HydrophobicContact CG-CE1 4.17Å; R212-Y282 HydrophobicContact CG-CE2 4.21Å; Y213-Y282 HydrophobicContact CD2-CD1 4.12Å; Y213-Y282 HydrophobicContact CG-CD1 4.44Å; D278-Y282 WeakPolarHBondContact OD2-CE2 3.22Å; D278-Y282 VanDerWaalsContact OD2-CZ 3.28Å; D278-Y282 PolarHBondContact OD2-OH 3.49Å; F280-Y282 VanDerWaalsContact C-N 3.27Å; F280-Y282 HydrophobicContact CB-CD2 4.34Å; F280-Y282 HydrophobicContact CB-CE2 3.77Å; F280-Y282 AromaticContact CD1-CD1 3.62Å; F280-Y282 HydrophobicContact CD1-CD1 3.62Å; F280-Y282 HydrophobicContact CD1-CD2 4.1Å; F280-Y282 AromaticContact CD1-CE1 3.48Å; F280-Y282 HydrophobicContact CD1-CE1 3.48Å; F280-Y282 VanDerWaalsContact CD1-CE1 3.48Å; F280-Y282 AromaticContact CD1-CE2 3.96Å; F280-Y282 HydrophobicContact CD1-CE2 3.96Å; F280-Y282 AromaticContact CD1-CG 3.93Å; F280-Y282 HydrophobicContact CD1-CG 3.93Å; F280-Y282 AromaticContact CD1-CZ 3.66Å; F280-Y282 HydrophobicContact CE1-CD1 4.08Å; F280-Y282 HydrophobicContact CE1-CE1 4.11Å; F280-Y282 HydrophobicContact CG-CE1 4.4Å; F280-Y282 HydrophobicContact CG-CE2 4.35Å; F280-Y282 WeakPolarHBondContact O-CD2 3.3Å; F280-Y282 PolarHBondContact O-N 3.33Å; Y282-Q284 PolarHBondContact O-N 2.88Å; Y282-I285 HydrophobicContact CD1-CD1 4.08Å; Y282-I285 WeakPolarHBondContact O-CB 3.35Å; Y282-I285 WeakPolarHBondContact O-CG1 3.28Å; Y282-I285 PolarHBondContact O-N 2.82Å; Y282-W355 HydrophobicContact CE1-CZ3 4.48Å
283E92.8Very high91Very high183 Ų18367.3 Ų67.386%0.85537%0.369SS*.G310 helixtrans-67-21.8179.5-61.2-178.1179.400113.1P281 P286P281-E283 PolarHBondContact O-N 2.86Å; P281-E283 VanDerWaalsContact O-N 3.1Å; E283-P286 WeakPolarHBondContact O-CD 3.49Å
284Q94.1Very high91.2Very high96 Ų9661.9 Ų61.945%0.44934%0.34SS..G310 helixtrans-81.4-18.5179.1-62-177.526.600112.5P281 Y282 S287 L288 L319P281-Q284 HydrophobicContact CB-CB 4.49Å; P281-Q284 HydrophobicContact CB-CG 4.03Å; P281-Q284 WeakPolarHBondContact O-CB 3.34Å; P281-Q284 PolarHBondContact O-N 3.11Å; Y282-Q284 PolarHBondContact O-N 2.88Å; Q284-S287 PolarHBondContact O-N 3.12Å; Q284-S287 PolarHBondContact O-OG 3.04Å; Q284-L288 PolarHBondContact O-N 2.67Å; Q284-L319 HydrophobicContact CB-CD1 4.14Å; Q284-L319 VanDerWaalsContact OE1-CD2 3.32Å
285I94.9Very high91.3Very high1 Ų167.8 Ų67.81%0.00537%0.365CS..G310 helixtrans-57.2-48.4-175-57.7-178.3000113Y213 F280 Y282 S287 L288 F345 W355Y213-I285 HydrophobicContact CD1-CD1 4.48Å; Y213-I285 HydrophobicContact CD2-CD1 3.72Å; Y213-I285 HydrophobicContact CE1-CG2 4.15Å; Y213-I285 HydrophobicContact CE2-CB 3.94Å; Y213-I285 HydrophobicContact CE2-CD1 3.94Å; Y213-I285 HydrophobicContact CE2-CG1 4.42Å; Y213-I285 HydrophobicContact CE2-CG2 4.25Å; Y213-I285 HydrophobicContact CG-CD1 3.97Å; F280-I285 HydrophobicContact CE1-CD1 4.02Å; F280-I285 HydrophobicContact CE1-CG1 4.46Å; Y282-I285 HydrophobicContact CD1-CD1 4.08Å; Y282-I285 WeakPolarHBondContact O-CB 3.35Å; Y282-I285 WeakPolarHBondContact O-CG1 3.28Å; Y282-I285 PolarHBondContact O-N 2.82Å; I285-S287 PolarHBondContact O-N 3.34Å; I285-S287 VanDerWaalsContact O-N 3.09Å; I285-L288 HydrophobicContact CG2-CD1 4.34Å; I285-L288 WeakPolarHBondContact O-CB 3.25Å; I285-L288 WeakPolarHBondContact O-CG 3.44Å; I285-L288 PolarHBondContact O-N 3.1Å; I285-L288 VanDerWaalsContact O-N 3.13Å; I285-F345 HydrophobicContact CG2-CE1 4.13Å; I285-W355 HydrophobicContact CD1-CD2 4.45Å; I285-W355 HydrophobicContact CD1-CE3 3.37Å; I285-W355 HydrophobicContact CD1-CH2 4.48Å; I285-W355 HydrophobicContact CD1-CZ3 3.38Å; I285-W355 HydrophobicContact CG2-CB 4.33Å; I285-W355 HydrophobicContact CG2-CE3 4.47Å
286P92.6Very high91.6Very high83 Ų8363.3 Ų63.354%0.53935%0.345SS..G310 helixtrans-60.9-20.7178-20.432.1000114.2Y213 E283Y213-P286 WeakPolarHBondContact OH-CG 3.34Å; E283-P286 WeakPolarHBondContact O-CD 3.49Å
287S91.9Very high91.7Very high81 Ų8161.6 Ų61.657%0.56633%0.334SS*.G310 helixtrans-92-3.3-17967.40000114.2Q284 I285 M289Q284-S287 PolarHBondContact O-N 3.12Å; Q284-S287 PolarHBondContact O-OG 3.04Å; I285-S287 PolarHBondContact O-N 3.34Å; I285-S287 VanDerWaalsContact O-N 3.09Å; S287-M289 VanDerWaalsContact C-N 3.28Å; S287-M289 PolarHBondContact O-N 2.93Å
288L93.8Very high91.8Very high7 Ų759.6 Ų59.64%0.03732%0.322CS..SBendtrans-63.2-36.5-178.9-69.8175.1000112.1Q284 I285 R316 L319 W320 F345Q284-L288 PolarHBondContact O-N 2.67Å; I285-L288 HydrophobicContact CG2-CD1 4.34Å; I285-L288 WeakPolarHBondContact O-CB 3.25Å; I285-L288 WeakPolarHBondContact O-CG 3.44Å; I285-L288 PolarHBondContact O-N 3.1Å; I285-L288 VanDerWaalsContact O-N 3.13Å; L288-R316 HydrophobicContact CD2-CB 3.9Å; L288-R316 WeakPolarHBondContact CD2-O 3.4Å; L288-R316 WeakPolarHBondContact O-CD 3.34Å; L288-R316 PolarHBondContact O-NH1 2.93Å; L288-L319 HydrophobicContact CD1-CD1 4.4Å; L288-L319 HydrophobicContact CD2-CD1 4.07Å; L288-W320 HydrophobicContact CD1-CZ3 4.49Å; L288-F345 HydrophobicContact CD1-CE1 3.81Å; L288-F345 HydrophobicContact CD1-CE2 4.07Å; L288-F345 HydrophobicContact CD1-CZ 3.43Å; L288-F345 VanDerWaalsContact CD1-CZ 3.43Å
289M93.6Very high91.5Very high9 Ų959.2 Ų59.24%0.04432%0.323CS..  trans-139.4140.2-173.7-66.6174.755.700111.6S287 C294 L297 L313 F345 V365S287-M289 VanDerWaalsContact C-N 3.28Å; S287-M289 PolarHBondContact O-N 2.93Å; M289-C294 WeakPolarHBondContact CE-SG 3.36Å; M289-L297 HydrophobicContact CE-CD1 3.3Å; M289-L313 HydrophobicContact CE-CD2 4.43Å; M289-L313 HydrophobicContact CG-CD1 3.5Å; M289-L313 VanDerWaalsContact CG-CD1 3.5Å; M289-L313 HydrophobicContact CG-CD2 4.12Å; M289-L313 HydrophobicContact CG-CG 4.48Å; M289-L313 HydrophobicContact SD-CD1 4.09Å; M289-L313 HydrophobicContact SD-CD2 3.76Å; M289-F345 HydrophobicContact SD-CB 3.71Å; M289-F345 HydrophobicContact SD-CG 4.25Å; M289-V365 HydrophobicContact CE-CG1 4.28Å; M289-V365 HydrophobicContact SD-CG1 4.06Å
290T91.6Very high90.5Very high64 Ų6457.5 Ų57.539%0.39333%0.327SS..  trans-103.7157.5174.464.50000111.7S292 E293 C294 C352T290-S292 PolarHBondContact O-N 3.15Å; T290-S292 PolarHBondContact OG1-OG 3.46Å; T290-S292 VanDerWaalsContact OG1-OG 3.1Å; T290-E293 WeakPolarHBondContact CB-OE2 3.49Å; T290-E293 PolarHBondContact N-OE2 3.45Å; T290-E293 WeakPolarHBondContact O-CB 3.49Å; T290-E293 PolarHBondContact O-N 3.4Å; T290-E293 WeakPolarHBondContact OG1-CB 3.49Å; T290-E293 WeakPolarHBondContact OG1-CG 3.31Å; T290-E293 PolarHBondContact OG1-N 3.02Å; T290-E293 PolarHBondContact OG1-OE2 3.17Å; T290-C294 PolarHBondContact O-N 3.3Å; T290-C294 VanDerWaalsContact O-N 3.08Å; T290-C352 VanDerWaalsContact C-SG 3.52Å; T290-C352 PolarHBondContact O-SG 3.37Å
291S88.9Confident89.2Confident81 Ų8164.7 Ų64.757%0.56637%0.365SS*.Hα-helixtrans-59.1-30.6179.5-49.80000113.6
292S88.5Confident87.8Confident87 Ų8766 Ų6661%0.60837%0.37SS*.Hα-helixtrans-68.6-41173.138.80000112.3T290 K295T290-S292 PolarHBondContact O-N 3.15Å; T290-S292 PolarHBondContact OG1-OG 3.46Å; T290-S292 VanDerWaalsContact OG1-OG 3.1Å; S292-K295 VanDerWaalsContact O-CB 3.28Å; S292-K295 WeakPolarHBondContact O-CB 3.42Å; S292-K295 PolarHBondContact O-N 3.27Å; S292-K295 VanDerWaalsContact O-N 3.17Å
293E91.1Very high86.9Confident27 Ų2768.5 Ų68.513%0.12639%0.388CS..Hα-helixtrans-68.7-36.4-180-74166.215300112.1T290 K295 I296 L297 F309 R316T290-E293 WeakPolarHBondContact CB-OE2 3.49Å; T290-E293 PolarHBondContact N-OE2 3.45Å; T290-E293 WeakPolarHBondContact O-CB 3.49Å; T290-E293 PolarHBondContact O-N 3.4Å; T290-E293 WeakPolarHBondContact OG1-CB 3.49Å; T290-E293 WeakPolarHBondContact OG1-CG 3.31Å; T290-E293 PolarHBondContact OG1-N 3.02Å; T290-E293 PolarHBondContact OG1-OE2 3.17Å; E293-K295 PolarHBondContact O-N 2.92Å; E293-I296 WeakPolarHBondContact O-CB 3.09Å; E293-I296 PolarHBondContact O-N 3.3Å; E293-L297 PolarHBondContact O-N 3.05Å; E293-F309 HydrophobicContact CB-CE1 3.99Å; E293-F309 HydrophobicContact CB-CE2 3.75Å; E293-F309 HydrophobicContact CB-CZ 3.47Å; E293-F309 VanDerWaalsContact CB-CZ 3.47Å; E293-F309 VanDerWaalsContact CD-CE2 3.44Å; E293-F309 HydrophobicContact CG-CD2 4.15Å; E293-F309 HydrophobicContact CG-CE2 3.51Å; E293-F309 HydrophobicContact CG-CZ 3.8Å; E293-F309 WeakPolarHBondContact OE1-CE2 3.45Å; E293-R316 VanDerWaalsContact CD-NH1 3.33Å; E293-R316 IonicContact OE1-CZ 2.77Å; E293-R316 VanDerWaalsContact OE1-CZ 3.24Å; E293-R316 IonicContact OE1-NH1 2.58Å; E293-R316 PolarHBondContact OE1-NH1 2.97Å; E293-R316 IonicContact OE1-NH2 3.5Å; E293-R316 PolarHBondContact OE1-NH2 2.87Å; E293-R316 IonicContact OE2-NH1 2.68Å; E293-R316 PolarHBondContact OE2-NH1 3.08Å; E293-R316 VanDerWaalsContact OE2-NH1 3.13Å
294C92.2Very high86.4Confident0 Ų069.9 Ų69.90%039%0.385CS..Hα-helixtrans-59.7-27.7171.9-77.50000113.5M289 T290 I296 R298 A347 C352M289-C294 WeakPolarHBondContact CE-SG 3.36Å; T290-C294 PolarHBondContact O-N 3.3Å; T290-C294 VanDerWaalsContact O-N 3.08Å; C294-I296 VanDerWaalsContact C-N 3.32Å; C294-R298 WeakPolarHBondContact O-CG 3.45Å; C294-R298 PolarHBondContact O-N 3.48Å; C294-R298 PolarHBondContact O-NE 3.04Å; C294-A347 WeakPolarHBondContact CB-O 3.41Å; C294-C352 HydrophobicContact CB-CB 3.78Å; C294-C352 WeakPolarHBondContact CB-SG 3.26Å; C294-C352 VanDerWaalsContact SG-CA 3.51Å; C294-C352 WeakPolarHBondContact SG-CB 3.42Å; C294-C352 CovalentContact SG-SG 2.01Å; C294-C352 PolarHBondContact SG-SG 2.96Å
295K90.4Very high85.9Confident154 Ų15470.6 Ų70.667%0.6739%0.388SS*.Hα-helixtrans-67.6-34.9174.3-170.1-177.6174.9-174.20111.5S292 E293 R298 S299S292-K295 VanDerWaalsContact O-CB 3.28Å; S292-K295 WeakPolarHBondContact O-CB 3.42Å; S292-K295 PolarHBondContact O-N 3.27Å; S292-K295 VanDerWaalsContact O-N 3.17Å; E293-K295 PolarHBondContact O-N 2.92Å; K295-R298 PolarHBondContact O-N 2.9Å; K295-S299 PolarHBondContact O-N 3.28Å
296I90.1Very high85.4Confident37 Ų3773.3 Ų73.319%0.1940%0.398CS..Hα-helixtrans-65.7-46.7177.2-56.5173.5000109.7E293 C294 R298 S299 E305 R306 F309E293-I296 WeakPolarHBondContact O-CB 3.09Å; E293-I296 PolarHBondContact O-N 3.3Å; C294-I296 VanDerWaalsContact C-N 3.32Å; I296-R298 VanDerWaalsContact C-N 3.29Å; I296-R298 PolarHBondContact O-N 3.1Å; I296-S299 WeakPolarHBondContact O-CB 3.47Å; I296-S299 PolarHBondContact O-N 2.74Å; I296-S299 VanDerWaalsContact O-N 3.11Å; I296-E305 HydrophobicContact CG2-CG 4.13Å; I296-R306 HydrophobicContact CG2-CB 4.34Å; I296-F309 HydrophobicContact CG2-CB 4.27Å
297L89.4Confident85.1Confident2 Ų272.9 Ų72.91%0.0139%0.392CS..Hα-helixtrans-60.7-36.5179.1-67.9176.1000113.3M289 E293 S299 R306 F309 V310 L313 V328 A347 V365M289-L297 HydrophobicContact CE-CD1 3.3Å; E293-L297 PolarHBondContact O-N 3.05Å; L297-S299 VanDerWaalsContact C-N 3.34Å; L297-R306 HydrophobicContact CD2-CG 4.46Å; L297-F309 HydrophobicContact CD1-CE1 3.93Å; L297-F309 HydrophobicContact CD2-CD1 3.75Å; L297-F309 HydrophobicContact CD2-CE1 3.83Å; L297-F309 HydrophobicContact CG-CD1 3.96Å; L297-F309 HydrophobicContact CG-CE1 3.71Å; L297-V310 HydrophobicContact CD2-CG2 3.95Å; L297-L313 HydrophobicContact CD1-CD2 4.43Å; L297-V328 HydrophobicContact CB-CG1 4.43Å; L297-V328 HydrophobicContact CD2-CG2 3.9Å; L297-A347 HydrophobicContact CB-CB 3.91Å; L297-A347 HydrophobicContact CD1-CB 3.95Å; L297-V365 HydrophobicContact CD1-CB 4.14Å; L297-V365 HydrophobicContact CD1-CG1 3.97Å
298R88Confident84.9Confident75 Ų7570.6 Ų70.628%0.28338%0.381SS..Hα-helixtrans-78.3-16.5178.2-69-175.5-76.3151.7-1.3114C294 K295 I296 A300 A347 C363C294-R298 WeakPolarHBondContact O-CG 3.45Å; C294-R298 PolarHBondContact O-N 3.48Å; C294-R298 PolarHBondContact O-NE 3.04Å; K295-R298 PolarHBondContact O-N 2.9Å; I296-R298 VanDerWaalsContact C-N 3.29Å; I296-R298 PolarHBondContact O-N 3.1Å; R298-A300 PolarHBondContact O-N 3.46Å; R298-A347 WeakPolarHBondContact CD-O 3.28Å; R298-A347 HydrophobicContact CG-CB 4.22Å; R298-A347 WeakPolarHBondContact CG-O 3.41Å; R298-A347 PolarHBondContact NE-O 3.19Å; R298-C363 HydrophobicContact CG-CB 3.68Å
299S83.7Confident84.7Confident41 Ų4170.8 Ų70.829%0.28738%0.382SS..  trans-66.3126.6-177.5-175.50000110.5K295 I296 L297 L301K295-S299 PolarHBondContact O-N 3.28Å; I296-S299 WeakPolarHBondContact O-CB 3.47Å; I296-S299 PolarHBondContact O-N 2.74Å; I296-S299 VanDerWaalsContact O-N 3.11Å; L297-S299 VanDerWaalsContact C-N 3.34Å; S299-L301 PolarHBondContact OG-N 2.04Å
300A70.6Confident84.6Confident95 Ų9570.7 Ų70.779%0.78538%0.382SS*.SBendtrans-86.9-5.5175.800000113.3R298R298-A300 PolarHBondContact O-N 3.46Å
301L65.6Low84.6Confident167 Ų16774.6 Ų74.687%0.87439%0.393SS*.SBendtrans-104.2-32.2-161.2-69.3166.9000114.8S299S299-L301 PolarHBondContact OG-N 2.04Å
302D66.5Low84.8Confident71 Ų7176.1 Ų76.138%0.3839%0.391SS..  trans-123.7101.8-179.8-165.8-24.1000110.9R304 E305 R306D302-R304 PolarHBondContact OD1-N 3.49Å; D302-E305 HydrophobicContact CB-CB 4.37Å; D302-E305 PolarHBondContact OD1-N 3.37Å; D302-E305 VanDerWaalsContact OD1-N 3.14Å; D302-R306 WeakPolarHBondContact O-CB 3.46Å
303T74.9Confident85.1Confident77 Ų7772 Ų7247%0.47236%0.362SS..Hα-helixtrans-75.5-27.3177.358.40000112.1D307T303-D307 VanDerWaalsContact O-CB 3.24Å; T303-D307 WeakPolarHBondContact O-CB 3.37Å; T303-D307 PolarHBondContact O-N 3.44Å; T303-D307 VanDerWaalsContact O-OD2 3.12Å
304R81.5Confident85.3Confident213 Ų21372.9 Ų72.980%0.80437%0.367SS*.Hα-helixtrans-72.6-44.3-176.5-70.4-175.6-177.2-179.62112D302 R306 D307 G308D302-R304 PolarHBondContact OD1-N 3.49Å; R304-R306 VanDerWaalsContact C-N 3.32Å; R304-D307 PolarHBondContact O-N 2.04Å; R304-G308 PolarHBondContact O-N 3.4Å
305E84.3Confident85.3Confident110 Ų11079.1 Ų79.151%0.51440%0.396SS..Hα-helixtrans-62.4-43.7174.9-172.8-179.2-165.500110.5I296 D302 G308 F309I296-E305 HydrophobicContact CG2-CG 4.13Å; D302-E305 HydrophobicContact CB-CB 4.37Å; D302-E305 PolarHBondContact OD1-N 3.37Å; D302-E305 VanDerWaalsContact OD1-N 3.14Å; E305-G308 PolarHBondContact O-N 3.02Å; E305-F309 PolarHBondContact O-N 3.41Å
306R84.9Confident85.5Confident58 Ų5875.7 Ų75.722%0.21938%0.379CS..Hα-helixtrans-62.1-46176-171.1-175.568.2-178.11112.4I296 L297 D302 R304 G308 F309 V310I296-R306 HydrophobicContact CG2-CB 4.34Å; L297-R306 HydrophobicContact CD2-CG 4.46Å; D302-R306 WeakPolarHBondContact O-CB 3.46Å; R304-R306 VanDerWaalsContact C-N 3.32Å; R306-G308 VanDerWaalsContact C-N 3.29Å; R306-G308 PolarHBondContact O-N 3.12Å; R306-F309 PolarHBondContact O-N 3.18Å; R306-V310 HydrophobicContact CG-CG2 4.41Å; R306-V310 WeakPolarHBondContact O-CB 3.49Å; R306-V310 VanDerWaalsContact O-CG2 3.27Å; R306-V310 WeakPolarHBondContact O-CG2 3.33Å; R306-V310 PolarHBondContact O-N 3.49Å
307D85.1Confident85.7Confident74 Ų7473.9 Ų73.940%0.39637%0.37SS..Hα-helixtrans-65.6-34.8179.6-65.3-14.9000111.3T303 R304 K311T303-D307 VanDerWaalsContact O-CB 3.24Å; T303-D307 WeakPolarHBondContact O-CB 3.37Å; T303-D307 PolarHBondContact O-N 3.44Å; T303-D307 VanDerWaalsContact O-OD2 3.12Å; R304-D307 PolarHBondContact O-N 2.04Å; D307-K311 WeakPolarHBondContact O-CG 3.38Å; D307-K311 PolarHBondContact O-N 3.34Å
308G88.6Confident85.9Confident34 Ų3477.8 Ų77.835%0.35139%0.386SS..Hα-helixtrans-62.9-50.6171.500000112R304 E305 R306 V310 K311 E312R304-G308 PolarHBondContact O-N 3.4Å; E305-G308 PolarHBondContact O-N 3.02Å; R306-G308 VanDerWaalsContact C-N 3.29Å; R306-G308 PolarHBondContact O-N 3.12Å; G308-V310 PolarHBondContact O-N 2.93Å; G308-K311 WeakPolarHBondContact O-CB 3.01Å; G308-K311 PolarHBondContact O-N 3.22Å; G308-E312 PolarHBondContact O-N 3.12Å
309F90.2Very high86.1Confident10 Ų1075.9 Ų75.94%0.04438%0.381CS..Hα-helixtrans-63.5-40.6178174.4-113.6000112.7E293 I296 L297 E305 R306 K311 E312 L313E293-F309 HydrophobicContact CB-CE1 3.99Å; E293-F309 HydrophobicContact CB-CE2 3.75Å; E293-F309 HydrophobicContact CB-CZ 3.47Å; E293-F309 VanDerWaalsContact CB-CZ 3.47Å; E293-F309 VanDerWaalsContact CD-CE2 3.44Å; E293-F309 HydrophobicContact CG-CD2 4.15Å; E293-F309 HydrophobicContact CG-CE2 3.51Å; E293-F309 HydrophobicContact CG-CZ 3.8Å; E293-F309 WeakPolarHBondContact OE1-CE2 3.45Å; I296-F309 HydrophobicContact CG2-CB 4.27Å; L297-F309 HydrophobicContact CD1-CE1 3.93Å; L297-F309 HydrophobicContact CD2-CD1 3.75Å; L297-F309 HydrophobicContact CD2-CE1 3.83Å; L297-F309 HydrophobicContact CG-CD1 3.96Å; L297-F309 HydrophobicContact CG-CE1 3.71Å; E305-F309 PolarHBondContact O-N 3.41Å; R306-F309 PolarHBondContact O-N 3.18Å; F309-K311 PolarHBondContact O-N 3.49Å; F309-E312 WeakPolarHBondContact O-CB 3.39Å; F309-E312 PolarHBondContact O-N 3.08Å; F309-E312 VanDerWaalsContact O-N 3.08Å; F309-L313 HydrophobicContact CE1-CB 4.29Å; F309-L313 HydrophobicContact CE1-CD2 4Å; F309-L313 HydrophobicContact CE2-CB 4.34Å; F309-L313 HydrophobicContact CZ-CB 4Å; F309-L313 HydrophobicContact CZ-CD1 4.4Å; F309-L313 HydrophobicContact CZ-CD2 4.11Å; F309-L313 HydrophobicContact CZ-CG 4.4Å; F309-L313 WeakPolarHBondContact O-CB 3.37Å; F309-L313 PolarHBondContact O-N 3.45Å
310V91.2Very high86.6Confident7 Ų774 Ų744%0.04237%0.368CS..Hα-helixtrans-57.6-39.2177163.30000111.2L297 R306 G308 L313 E314 Y325 V328L297-V310 HydrophobicContact CD2-CG2 3.95Å; R306-V310 HydrophobicContact CG-CG2 4.41Å; R306-V310 WeakPolarHBondContact O-CB 3.49Å; R306-V310 VanDerWaalsContact O-CG2 3.27Å; R306-V310 WeakPolarHBondContact O-CG2 3.33Å; R306-V310 PolarHBondContact O-N 3.49Å; G308-V310 PolarHBondContact O-N 2.93Å; V310-L313 PolarHBondContact O-N 3.09Å; V310-E314 VanDerWaalsContact O-CB 3.3Å; V310-E314 WeakPolarHBondContact O-CB 3.41Å; V310-E314 PolarHBondContact O-N 2.91Å; V310-Y325 HydrophobicContact CB-CE2 4.48Å; V310-Y325 HydrophobicContact CG1-CD1 3.75Å; V310-Y325 HydrophobicContact CG1-CD2 3.27Å; V310-Y325 HydrophobicContact CG1-CE1 4Å; V310-Y325 HydrophobicContact CG1-CE2 3.56Å; V310-Y325 HydrophobicContact CG1-CG 3.34Å; V310-Y325 HydrophobicContact CG2-CD2 4.46Å; V310-Y325 HydrophobicContact CG2-CE2 4.02Å; V310-V328 HydrophobicContact CG2-CG2 4.31Å
311K91.6Very high87.6Confident146 Ų14674 Ų7464%0.63536%0.36SS*.Hα-helixtrans-64.8-40.6175.1-72.1177.7-178.8-177.50112.5D307 G308 F309 Q315D307-K311 WeakPolarHBondContact O-CG 3.38Å; D307-K311 PolarHBondContact O-N 3.34Å; G308-K311 WeakPolarHBondContact O-CB 3.01Å; G308-K311 PolarHBondContact O-N 3.22Å; F309-K311 PolarHBondContact O-N 3.49Å; K311-Q315 WeakPolarHBondContact O-CG 3.25Å; K311-Q315 PolarHBondContact O-N 2.95Å
312E93.1Very high88.9Confident113 Ų11370.1 Ų70.153%0.52834%0.34SS..Hα-helixtrans-65.9-43.6175-66.4-178.1-177.300111.4G308 F309 E314 Q315 R316G308-E312 PolarHBondContact O-N 3.12Å; F309-E312 WeakPolarHBondContact O-CB 3.39Å; F309-E312 PolarHBondContact O-N 3.08Å; F309-E312 VanDerWaalsContact O-N 3.08Å; E312-E314 VanDerWaalsContact C-N 3.34Å; E312-E314 PolarHBondContact O-N 3.33Å; E312-Q315 WeakPolarHBondContact O-CB 3.5Å; E312-Q315 PolarHBondContact O-N 3.12Å; E312-R316 PolarHBondContact O-N 3.46Å; E312-R316 IonicContact OE2-NH2 3.13Å
313L94.3Very high90.2Very high0 Ų066.8 Ų66.80%032%0.323CS..Hα-helixtrans-63.9-40.3177.7-177.159.5000111.3M289 L297 F309 V310 Q315 R316 V317 V365 F367M289-L313 HydrophobicContact CE-CD2 4.43Å; M289-L313 HydrophobicContact CG-CD1 3.5Å; M289-L313 VanDerWaalsContact CG-CD1 3.5Å; M289-L313 HydrophobicContact CG-CD2 4.12Å; M289-L313 HydrophobicContact CG-CG 4.48Å; M289-L313 HydrophobicContact SD-CD1 4.09Å; M289-L313 HydrophobicContact SD-CD2 3.76Å; L297-L313 HydrophobicContact CD1-CD2 4.43Å; F309-L313 HydrophobicContact CE1-CB 4.29Å; F309-L313 HydrophobicContact CE1-CD2 4Å; F309-L313 HydrophobicContact CE2-CB 4.34Å; F309-L313 HydrophobicContact CZ-CB 4Å; F309-L313 HydrophobicContact CZ-CD1 4.4Å; F309-L313 HydrophobicContact CZ-CD2 4.11Å; F309-L313 HydrophobicContact CZ-CG 4.4Å; F309-L313 WeakPolarHBondContact O-CB 3.37Å; F309-L313 PolarHBondContact O-N 3.45Å; V310-L313 PolarHBondContact O-N 3.09Å; L313-Q315 PolarHBondContact O-N 2.95Å; L313-R316 CarbonylContact O-C 3.48Å; L313-R316 WeakPolarHBondContact O-CA 3.44Å; L313-R316 WeakPolarHBondContact O-CB 3.46Å; L313-R316 PolarHBondContact O-N 3.26Å; L313-V317 HydrophobicContact CD1-CG2 4.16Å; L313-V317 HydrophobicContact CG-CG2 4.22Å; L313-V317 VanDerWaalsContact O-CG2 3.3Å; L313-V317 WeakPolarHBondContact O-CG2 3.32Å; L313-V317 PolarHBondContact O-N 3.47Å; L313-V365 HydrophobicContact CD2-CG1 4.01Å; L313-V365 HydrophobicContact CD2-CG2 4.38Å; L313-F367 HydrophobicContact CB-CZ 4.36Å; L313-F367 HydrophobicContact CD2-CE2 4.02Å; L313-F367 HydrophobicContact CD2-CZ 3.81Å; L313-F367 HydrophobicContact CG-CE2 4.2Å; L313-F367 HydrophobicContact CG-CZ 3.73Å
314E94.2Very high91.1Very high47 Ų4764.4 Ų64.422%0.2231%0.309CS..Hα-helixtrans-57.1-39.1174.2-171.9175-14400111.7V310 E312 V317 K318 S324 Y325 F367V310-E314 VanDerWaalsContact O-CB 3.3Å; V310-E314 WeakPolarHBondContact O-CB 3.41Å; V310-E314 PolarHBondContact O-N 2.91Å; E312-E314 VanDerWaalsContact C-N 3.34Å; E312-E314 PolarHBondContact O-N 3.33Å; E314-V317 PolarHBondContact O-N 3.47Å; E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 2.78Å; E314-S324 WeakPolarHBondContact OE1-CA 3.47Å; E314-Y325 PolarHBondContact OE1-N 3.22Å; E314-F367 HydrophobicContact CB-CE1 3.92Å; E314-F367 HydrophobicContact CG-CE1 4.24Å
315Q93.6Very high91.8Very high131 Ų13157.6 Ų57.661%0.61228%0.284SS*.Hα-helixtrans-65.2-38.4173.4-63.7-58.1-44.900112.5K311 E312 L313 K318K311-Q315 WeakPolarHBondContact O-CG 3.25Å; K311-Q315 PolarHBondContact O-N 2.95Å; E312-Q315 WeakPolarHBondContact O-CB 3.5Å; E312-Q315 PolarHBondContact O-N 3.12Å; L313-Q315 PolarHBondContact O-N 2.95Å; Q315-K318 WeakPolarHBondContact O-CB 3.05Å; Q315-K318 PolarHBondContact O-N 2.94Å
316R94.7Very high92.3Very high81 Ų8154.4 Ų54.431%0.30627%0.274SS..Hα-helixtrans-68.5-36175.9-60178.7-160174.45.5111.9L288 E293 E312 L313 K318L288-R316 HydrophobicContact CD2-CB 3.9Å; L288-R316 WeakPolarHBondContact CD2-O 3.4Å; L288-R316 WeakPolarHBondContact O-CD 3.34Å; L288-R316 PolarHBondContact O-NH1 2.93Å; E293-R316 VanDerWaalsContact CD-NH1 3.33Å; E293-R316 IonicContact OE1-CZ 2.77Å; E293-R316 VanDerWaalsContact OE1-CZ 3.24Å; E293-R316 IonicContact OE1-NH1 2.58Å; E293-R316 PolarHBondContact OE1-NH1 2.97Å; E293-R316 IonicContact OE1-NH2 3.5Å; E293-R316 PolarHBondContact OE1-NH2 2.87Å; E293-R316 IonicContact OE2-NH1 2.68Å; E293-R316 PolarHBondContact OE2-NH1 3.08Å; E293-R316 VanDerWaalsContact OE2-NH1 3.13Å; E312-R316 PolarHBondContact O-N 3.46Å; E312-R316 IonicContact OE2-NH2 3.13Å; L313-R316 CarbonylContact O-C 3.48Å; L313-R316 WeakPolarHBondContact O-CA 3.44Å; L313-R316 WeakPolarHBondContact O-CB 3.46Å; L313-R316 PolarHBondContact O-N 3.26Å; R316-K318 PolarHBondContact O-N 3.33Å
317V94.4Very high92.6Very high0 Ų053.3 Ų53.30%027%0.272CS..G310 helixtrans-73.8-2.9178.8177.10000112.1L313 E314 L319 W320 S323 I343 F345 F367L313-V317 HydrophobicContact CD1-CG2 4.16Å; L313-V317 HydrophobicContact CG-CG2 4.22Å; L313-V317 VanDerWaalsContact O-CG2 3.3Å; L313-V317 WeakPolarHBondContact O-CG2 3.32Å; L313-V317 PolarHBondContact O-N 3.47Å; E314-V317 PolarHBondContact O-N 3.47Å; V317-L319 PolarHBondContact O-N 2.85Å; V317-W320 HydrophobicContact CG1-CE3 3.81Å; V317-W320 HydrophobicContact CG1-CZ3 4.19Å; V317-W320 PolarHBondContact O-N 3.39Å; V317-S323 PolarHBondContact O-OG 2.95Å; V317-I343 HydrophobicContact CG1-CD1 4.46Å; V317-I343 HydrophobicContact CG1-CG2 4.41Å; V317-F345 HydrophobicContact CG1-CE2 4.38Å; V317-F345 HydrophobicContact CG2-CD2 4.45Å; V317-F345 HydrophobicContact CG2-CE2 3.85Å; V317-F367 HydrophobicContact CB-CD1 4.44Å; V317-F367 HydrophobicContact CB-CE1 4.47Å; V317-F367 HydrophobicContact CG1-CB 4.2Å; V317-F367 HydrophobicContact CG1-CD1 4.17Å; V317-F367 HydrophobicContact CG1-CD2 4.05Å; V317-F367 HydrophobicContact CG1-CG 3.88Å; V317-F367 HydrophobicContact CG2-CD2 4.17Å; V317-F367 HydrophobicContact CG2-CE1 4.44Å; V317-F367 HydrophobicContact CG2-CE2 3.85Å; V317-F367 HydrophobicContact CG2-CZ 4.02Å
318K93.2Very high92.9Very high84 Ų8450.9 Ų50.937%0.36526%0.26SS..G310 helixtrans-63.65.4170.8-66.6-55.8-170.4176.30115.9E314 Q315 R316 W320 P321 S323E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 2.78Å; Q315-K318 WeakPolarHBondContact O-CB 3.05Å; Q315-K318 PolarHBondContact O-N 2.94Å; R316-K318 PolarHBondContact O-N 3.33Å; K318-W320 CarbonylContact O-C 3.49Å; K318-W320 PolarHBondContact O-N 2.95Å; K318-P321 PolarHBondContact NZ-O 2.95Å; K318-P321 VanDerWaalsContact NZ-O 3.12Å; K318-S323 PolarHBondContact NZ-O 3.3Å
319L91.8Very high93Very high34 Ų3451.1 Ų51.118%0.17826%0.255CS..G310 helixtrans-51-30155.4-53.5-175000111.8F280 P281 Q284 L288 V317F280-L319 HydrophobicContact CE2-CB 4.14Å; F280-L319 HydrophobicContact CZ-CB 4.09Å; P281-L319 HydrophobicContact CG-CD1 4.38Å; P281-L319 HydrophobicContact CG-CD2 3.83Å; P281-L319 HydrophobicContact CG-CG 4.5Å; Q284-L319 HydrophobicContact CB-CD1 4.14Å; Q284-L319 VanDerWaalsContact OE1-CD2 3.32Å; L288-L319 HydrophobicContact CD1-CD1 4.4Å; L288-L319 HydrophobicContact CD2-CD1 4.07Å; V317-L319 PolarHBondContact O-N 2.85Å
320W93.9Very high93Very high3 Ų354 Ų541%0.01128%0.275CS..SBendtrans-101104.4162.5-61.8-91.3000108.7F280 L288 V317 K318 N322 S323 I343 F345 W355F280-W320 HydrophobicContact CE1-CH2 4.37Å; F280-W320 AromaticContact CE1-CZ2 3.95Å; F280-W320 HydrophobicContact CE1-CZ2 3.95Å; F280-W320 HydrophobicContact CE2-CD2 4.39Å; F280-W320 AromaticContact CE2-CE2 3.88Å; F280-W320 HydrophobicContact CE2-CZ2 4.02Å; F280-W320 AromaticContact CE2-NE1 3.99Å; F280-W320 HydrophobicContact CZ-CD2 4.26Å; F280-W320 AromaticContact CZ-CE2 3.57Å; F280-W320 AromaticContact CZ-CH2 3.7Å; F280-W320 HydrophobicContact CZ-CH2 3.7Å; F280-W320 AromaticContact CZ-CZ2 3.23Å; F280-W320 HydrophobicContact CZ-CZ2 3.23Å; F280-W320 HydrophobicContact CZ-CZ3 4.38Å; L288-W320 HydrophobicContact CD1-CZ3 4.49Å; V317-W320 HydrophobicContact CG1-CE3 3.81Å; V317-W320 HydrophobicContact CG1-CZ3 4.19Å; V317-W320 PolarHBondContact O-N 3.39Å; K318-W320 CarbonylContact O-C 3.49Å; K318-W320 PolarHBondContact O-N 2.95Å; W320-N322 VanDerWaalsContact C-N 3.29Å; W320-N322 PolarHBondContact O-N 3.16Å; W320-S323 WeakPolarHBondContact O-CB 3.45Å; W320-S323 PolarHBondContact O-N 3.21Å; W320-S323 PolarHBondContact O-OG 3.2Å; W320-I343 HydrophobicContact CB-CD1 3.69Å; W320-I343 HydrophobicContact CD2-CD1 3.53Å; W320-I343 HydrophobicContact CD2-CG1 4.05Å; W320-I343 HydrophobicContact CE3-CD1 3.86Å; W320-I343 HydrophobicContact CE3-CG1 4.4Å; W320-I343 HydrophobicContact CE3-CG2 4.12Å; W320-I343 HydrophobicContact CG-CD1 3.44Å; W320-I343 VanDerWaalsContact CG-CD1 3.44Å; W320-I343 HydrophobicContact CG-CG1 4.26Å; W320-I343 HydrophobicContact CH2-CG2 4.14Å; W320-I343 HydrophobicContact CZ2-CG2 4.49Å; W320-I343 HydrophobicContact CZ3-CG2 3.93Å; W320-F345 AromaticContact CH2-CZ 3.98Å; W320-F345 HydrophobicContact CH2-CZ 3.98Å; W320-F345 HydrophobicContact CZ3-CE2 4.4Å; W320-F345 AromaticContact CZ3-CZ 3.88Å; W320-F345 HydrophobicContact CZ3-CZ 3.88Å; W320-W355 HydrophobicContact CH2-CH2 4.07Å; W320-W355 AromaticContact CH2-CZ2 3.95Å; W320-W355 HydrophobicContact CH2-CZ2 3.95Å; W320-W355 HydrophobicContact CH2-CZ3 4.46Å; W320-W355 AromaticContact CZ2-CH2 3.33Å; W320-W355 HydrophobicContact CZ2-CH2 3.33Å; W320-W355 AromaticContact CZ2-CZ2 3.29Å; W320-W355 HydrophobicContact CZ2-CZ2 3.29Å; W320-W355 HydrophobicContact CZ2-CZ3 4.08Å
321P91.8Very high92.9Very high94 Ų9454.9 Ų54.961%0.6129%0.286SS*.THydrogen-bonded Turntrans-57.9-38.7-169.6-28.135.6000114.1K318 S323K318-P321 PolarHBondContact NZ-O 2.95Å; K318-P321 VanDerWaalsContact NZ-O 3.12Å; P321-S323 VanDerWaalsContact C-N 3.33Å; P321-S323 PolarHBondContact O-N 2.99Å
322N92.8Very high92.7Very high86 Ų8653.2 Ų53.246%0.4629%0.292SS..THydrogen-bonded Turntrans-92.914.4-177.8-49.6-45.2000113.3W320 D369 E370W320-N322 VanDerWaalsContact C-N 3.29Å; W320-N322 PolarHBondContact O-N 3.16Å; N322-D369 WeakPolarHBondContact CB-OD1 3.48Å; N322-E370 PolarHBondContact O-N 3.05Å
323S94.4Very high92.7Very high1 Ų152 Ų521%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-72.2139.1176.959.20000112V317 K318 W320 P321 C368V317-S323 PolarHBondContact O-OG 2.95Å; K318-S323 PolarHBondContact NZ-O 3.3Å; W320-S323 WeakPolarHBondContact O-CB 3.45Å; W320-S323 PolarHBondContact O-N 3.21Å; W320-S323 PolarHBondContact O-OG 3.2Å; P321-S323 VanDerWaalsContact C-N 3.33Å; P321-S323 PolarHBondContact O-N 2.99Å; S323-C368 CarbonylContact C-O 3.6Å; S323-C368 VanDerWaalsContact CA-O 3.29Å; S323-C368 WeakPolarHBondContact CA-O 3.24Å
324S94.8Very high92.7Very high27 Ų2756.6 Ų56.619%0.18932%0.322CS..EExtended strand (participates in β ladder)trans-129.4147.9171.3620000110E314 S326 F367 C368 E370E314-S324 WeakPolarHBondContact OE1-CA 3.47Å; S324-S326 PolarHBondContact O-N 2.81Å; S324-F367 CarbonylContact O-C 3.58Å; S324-F367 WeakPolarHBondContact O-CA 3.46Å; S324-F367 WeakPolarHBondContact O-CB 3.33Å; S324-C368 PolarHBondContact N-O 3.2Å; S324-C368 PolarHBondContact O-N 2.97Å; S324-C368 PolarHBondContact OG-O 2.97Å; S324-E370 PolarHBondContact OG-OE1 2.87Å
325Y94.9Very high92.6Very high69 Ų6957 Ų5727%0.27132%0.322SS..EExtended strand (participates in β ladder)trans-63.5132.8173.6168.2-103000110.8V310 E314 N327 V328 V365 F367V310-Y325 HydrophobicContact CB-CE2 4.48Å; V310-Y325 HydrophobicContact CG1-CD1 3.75Å; V310-Y325 HydrophobicContact CG1-CD2 3.27Å; V310-Y325 HydrophobicContact CG1-CE1 4Å; V310-Y325 HydrophobicContact CG1-CE2 3.56Å; V310-Y325 HydrophobicContact CG1-CG 3.34Å; V310-Y325 HydrophobicContact CG2-CD2 4.46Å; V310-Y325 HydrophobicContact CG2-CE2 4.02Å; E314-Y325 PolarHBondContact OE1-N 3.22Å; Y325-N327 VanDerWaalsContact CE2-C 3.46Å; Y325-N327 VanDerWaalsContact CZ-CA 3.46Å; Y325-N327 WeakPolarHBondContact OH-CA 3.46Å; Y325-V328 HydrophobicContact CE2-CG2 3.9Å; Y325-V328 PolarHBondContact OH-N 3.03Å; Y325-V328 VanDerWaalsContact OH-N 3.14Å; Y325-V365 HydrophobicContact CD2-CG2 4.22Å; Y325-V365 HydrophobicContact CE2-CG2 4.05Å; Y325-F367 HydrophobicContact CD2-CE1 4.2Å; Y325-F367 HydrophobicContact CD2-CZ 4.49Å
326S94.3Very high92.7Very high43 Ų4354.9 Ų54.930%0.30131%0.312SS..EExtended strand (participates in β ladder)trans-104.4-67.5175.8-178.30000111.2S324 V366 C368S324-S326 PolarHBondContact O-N 2.81Å; S326-V366 WeakPolarHBondContact CB-O 3.27Å; S326-V366 PolarHBondContact N-O 3.36Å; S326-C368 VanDerWaalsContact CB-SG 3.59Å
327N92.8Very high92.6Very high36 Ų3651.6 Ų51.619%0.19330%0.302CS..EExtended strand (participates in β ladder)trans-160166.6-178.561.831.7000112.7Y325 T329 V366Y325-N327 VanDerWaalsContact CE2-C 3.46Å; Y325-N327 VanDerWaalsContact CZ-CA 3.46Å; Y325-N327 WeakPolarHBondContact OH-CA 3.46Å; N327-T329 HydrophobicContact CB-CG2 4.36Å; N327-V366 PolarHBondContact N-O 2.78Å; N327-V366 PolarHBondContact O-N 2.68Å; N327-V366 WeakPolarHBondContact OD1-CB 3.02Å; N327-V366 WeakPolarHBondContact OD1-CG2 3.42Å
328V91.7Very high92.4Very high23 Ų2359.7 Ų59.714%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-113.4126.5161.5-178.70000107.1L297 V310 Y325 A364 V365L297-V328 HydrophobicContact CB-CG1 4.43Å; L297-V328 HydrophobicContact CD2-CG2 3.9Å; V310-V328 HydrophobicContact CG2-CG2 4.31Å; Y325-V328 HydrophobicContact CE2-CG2 3.9Å; Y325-V328 PolarHBondContact OH-N 3.03Å; Y325-V328 VanDerWaalsContact OH-N 3.14Å; V328-A364 WeakPolarHBondContact CA-O 3.18Å; V328-V365 HydrophobicContact CG2-CB 4.16Å; V328-V365 HydrophobicContact CG2-CG2 3.96Å
329T89.7Confident92.2Very high39 Ų3957.2 Ų57.224%0.23933%0.333CS..EExtended strand (participates in β ladder)trans-130.3138.6178.963.40000110.8N327 C363 A364N327-T329 HydrophobicContact CB-CG2 4.36Å; T329-C363 CarbonylContact O-C 3.59Å; T329-C363 WeakPolarHBondContact O-CA 3.31Å; T329-A364 PolarHBondContact N-O 3.17Å; T329-A364 PolarHBondContact O-N 3.18Å
330C91.1Very high92Very high69 Ų6961.1 Ų61.147%0.46636%0.363SS..EExtended strand (participates in β ladder)trans-126.1129.6178.3-76.20000109.5G362 C363C330-G362 WeakPolarHBondContact CA-O 3.38Å; C330-C363 HydrophobicContact CB-CB 4.14Å; C330-C363 WeakPolarHBondContact CB-SG 3.36Å; C330-C363 WeakPolarHBondContact SG-CB 3.39Å; C330-C363 CovalentContact SG-SG 2.04Å; C330-C363 PolarHBondContact SG-SG 2.75Å
331G88.7Confident91.9Very high26 Ų2661.9 Ų61.927%0.26837%0.366SS..EExtended strand (participates in β ladder)trans173158.6172.600000114.2R335 G362G331-R335 VanDerWaalsContact CA-NH1 3.31Å; G331-R335 VanDerWaalsContact N-NH2 3.16Å; G331-R335 PolarHBondContact O-NH1 3.44Å; G331-R335 PolarHBondContact O-NH2 3.45Å; G331-G362 PolarHBondContact N-O 3.44Å; G331-G362 VanDerWaalsContact N-O 3.07Å; G331-G362 WeakPolarHBondContact O-CA 3.47Å; G331-G362 PolarHBondContact O-N 3.43Å
332S87.1Confident92.1Very high111 Ų11158 Ų5878%0.77634%0.342SS*.EExtended strand (participates in β ladder)trans-69.5-39.1-178.8-48.10000116.1
333P93.2Very high92.3Very high88 Ų8853.9 Ų53.957%0.57132%0.32SS*.EExtended strand (participates in β ladder)trans-70.5153-177.827-32.7000111.5R335P333-R335 PolarHBondContact O-NH1 3.14Å
334V93.3Very high92.4Very high96 Ų9653.9 Ų53.958%0.58232%0.319SS*.EExtended strand (participates in β ladder)trans-66.6134.3170.5-179.40000108.8W359 F360 N361V334-W359 HydrophobicContact CG1-CB 4.22Å; V334-W359 HydrophobicContact CG1-CE3 4.15Å; V334-F360 WeakPolarHBondContact CA-O 3.24Å; V334-N361 HydrophobicContact CG2-CB 4.41Å
335R93.4Very high92.5Very high56 Ų5652.6 Ų52.621%0.21131%0.31CS..EExtended strand (participates in β ladder)trans-128.7150.8179.9-67.8175.4-70.3-75.6-6.2109.7G331 P333 W359 F360 G362G331-R335 VanDerWaalsContact CA-NH1 3.31Å; G331-R335 VanDerWaalsContact N-NH2 3.16Å; G331-R335 PolarHBondContact O-NH1 3.44Å; G331-R335 PolarHBondContact O-NH2 3.45Å; P333-R335 PolarHBondContact O-NH1 3.14Å; R335-W359 VanDerWaalsContact O-CA 3.31Å; R335-W359 WeakPolarHBondContact O-CA 3.23Å; R335-F360 PolarHBondContact N-O 3.27Å; R335-F360 PolarHBondContact O-N 2.94Å; R335-G362 PolarHBondContact NH2-O 2.94Å
336E94.3Very high92.5Very high86 Ų8649.3 Ų49.340%0.40230%0.298SS..EExtended strand (participates in β ladder)trans-97141.7169.1-161.1172.9-16400109.9K358 W359E336-K358 CarbonylContact C-O 3.52Å; E336-K358 WeakPolarHBondContact CA-O 3.49Å; E336-K358 HydrophobicContact CG-CD 4.45Å; E336-K358 WeakPolarHBondContact OE1-CD 3.38Å; E336-K358 WeakPolarHBondContact OE1-CE 3.3Å; E336-K358 IonicContact OE1-NZ 2.84Å; E336-K358 PolarHBondContact OE1-NZ 3.5Å; E336-W359 HydrophobicContact CB-CD2 4.12Å; E336-W359 HydrophobicContact CB-CE3 3.76Å; E336-W359 HydrophobicContact CB-CH2 3.92Å; E336-W359 HydrophobicContact CB-CZ2 4.28Å; E336-W359 HydrophobicContact CB-CZ3 3.67Å; E336-W359 HydrophobicContact CG-CD2 4.06Å; E336-W359 HydrophobicContact CG-CE3 4.21Å; E336-W359 HydrophobicContact CG-CH2 4.13Å; E336-W359 HydrophobicContact CG-CZ2 3.97Å; E336-W359 HydrophobicContact CG-CZ3 4.26Å; E336-W359 WeakPolarHBondContact OE1-CZ2 3.32Å; E336-W359 VanDerWaalsContact OE2-CH2 3.27Å; E336-W359 WeakPolarHBondContact OE2-CH2 3.46Å; E336-W359 WeakPolarHBondContact OE2-CZ2 3.32Å
337A93Very high92.5Very high12 Ų1247.3 Ų47.310%0.09928%0.283CS..  trans-62.2141.1168.200000110.6C339 A342 V344 K358 F360 V366A337-C339 VanDerWaalsContact C-N 3.26Å; A337-C339 PolarHBondContact O-N 3.23Å; A337-A342 HydrophobicContact CB-CB 3.3Å; A337-V344 HydrophobicContact CB-CG2 4.28Å; A337-K358 PolarHBondContact N-O 2.92Å; A337-F360 HydrophobicContact CB-CE1 4.2Å; A337-V366 HydrophobicContact CB-CG1 4.11Å
338Q89.6Confident92.6Very high171 Ų17148.7 Ų48.780%0.79929%0.289SS*.SBendtrans-77.6-6.8-172.9-67.3-177-1300114.5
339C90.9Very high92.5Very high31 Ų3153.3 Ų53.321%0.20931%0.309CS..SBendtrans-116.2150.1179.655.80000111.5A337 R341 C368A337-C339 VanDerWaalsContact C-N 3.26Å; A337-C339 PolarHBondContact O-N 3.23Å; C339-R341 VanDerWaalsContact C-N 3.35Å; C339-R341 PolarHBondContact O-N 3.21Å; C339-C368 HydrophobicContact CB-CB 3.73Å; C339-C368 WeakPolarHBondContact CB-SG 3.45Å; C339-C368 VanDerWaalsContact SG-CA 3.54Å; C339-C368 WeakPolarHBondContact SG-CB 3.43Å; C339-C368 CovalentContact SG-SG 2.04Å; C339-C368 PolarHBondContact SG-SG 3.39Å
340S86.8Confident92.5Very high116 Ų11658.9 Ų58.981%0.81134%0.337SS*.THydrogen-bonded Turntrans-63.2-38.3-17752.30000112.9
341R92.4Very high92.5Very high19 Ų1958.9 Ų58.97%0.07233%0.332CS..THydrogen-bonded Turntrans-110.365.7-179.1-59.3179.764.492-5.8111.1D203 D204 P206 C339 D369D203-R341 IonicContact OD1-CZ 3.24Å; D203-R341 IonicContact OD1-NH1 3.71Å; D203-R341 PolarHBondContact OD1-NH1 3.44Å; D203-R341 IonicContact OD1-NH2 2.95Å; D203-R341 IonicContact OD2-NH1 2.73Å; D203-R341 PolarHBondContact OD2-NH1 3.48Å; D204-R341 IonicContact OD1-CZ 2.74Å; D204-R341 IonicContact OD1-NH2 2.79Å; D204-R341 PolarHBondContact OD1-NH2 3.13Å; P206-R341 HydrophobicContact CG-CB 4.38Å; C339-R341 VanDerWaalsContact C-N 3.35Å; C339-R341 PolarHBondContact O-N 3.21Å; R341-D369 HydrophobicContact CB-CB 3.91Å; R341-D369 IonicContact CZ-OD2 3.99Å; R341-D369 IonicContact NE-OD2 2.75Å; R341-D369 PolarHBondContact NE-OD2 3.09Å; R341-D369 IonicContact NH2-OD2 3.76Å; R341-D369 PolarHBondContact NH2-OD2 2.73Å; R341-D369 PolarHBondContact O-N 3.21Å
342A95.2Very high92.8Very high13 Ų1358.9 Ų58.911%0.10733%0.328CS..EExtended strand (participates in β ladder)trans-79.3137.5-176.800000113.1A337 V344A337-A342 HydrophobicContact CB-CB 3.3Å; A342-V344 HydrophobicContact CB-CG2 4.08Å
343I96.7Very high93.1Very high0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-113.9111.5167.9-57.9150.7000106.3P206 V317 W320 F345 F367 D369P206-I343 HydrophobicContact CB-CG1 3.67Å; P206-I343 HydrophobicContact CG-CD1 4.36Å; P206-I343 HydrophobicContact CG-CG1 3.82Å; V317-I343 HydrophobicContact CG1-CD1 4.46Å; V317-I343 HydrophobicContact CG1-CG2 4.41Å; W320-I343 HydrophobicContact CB-CD1 3.69Å; W320-I343 HydrophobicContact CD2-CD1 3.53Å; W320-I343 HydrophobicContact CD2-CG1 4.05Å; W320-I343 HydrophobicContact CE3-CD1 3.86Å; W320-I343 HydrophobicContact CE3-CG1 4.4Å; W320-I343 HydrophobicContact CE3-CG2 4.12Å; W320-I343 HydrophobicContact CG-CD1 3.44Å; W320-I343 VanDerWaalsContact CG-CD1 3.44Å; W320-I343 HydrophobicContact CG-CG1 4.26Å; W320-I343 HydrophobicContact CH2-CG2 4.14Å; W320-I343 HydrophobicContact CZ2-CG2 4.49Å; W320-I343 HydrophobicContact CZ3-CG2 3.93Å; I343-F345 HydrophobicContact CG2-CD2 4.22Å; I343-F345 HydrophobicContact CG2-CE2 3.4Å; I343-F345 VanDerWaalsContact CG2-CE2 3.4Å; I343-F345 HydrophobicContact CG2-CZ 3.67Å; I343-F367 HydrophobicContact CB-CB 4.21Å; I343-F367 HydrophobicContact CD1-CB 4.49Å; I343-F367 PolarHBondContact N-O 3.42Å; I343-F367 PolarHBondContact O-N 3.22Å; I343-D369 HydrophobicContact CD1-CB 4.25Å
344V96.4Very high93.2Very high0 Ų052.7 Ų52.70%028%0.282CS..EExtended strand (participates in β ladder)trans-118.3123.7-171.8-173.80000109.8A337 A342 L356 F360 A364 V365 V366A337-V344 HydrophobicContact CB-CG2 4.28Å; A342-V344 HydrophobicContact CB-CG2 4.08Å; V344-L356 HydrophobicContact CB-CB 4.1Å; V344-L356 HydrophobicContact CG1-CB 3.92Å; V344-L356 HydrophobicContact CG1-CD1 4.23Å; V344-L356 PolarHBondContact O-N 3.36Å; V344-F360 HydrophobicContact CB-CD1 4.45Å; V344-F360 HydrophobicContact CG1-CB 4.44Å; V344-F360 HydrophobicContact CG1-CD1 3.64Å; V344-F360 HydrophobicContact CG1-CD2 4.34Å; V344-F360 HydrophobicContact CG1-CE1 3.88Å; V344-F360 HydrophobicContact CG1-CG 3.89Å; V344-F360 HydrophobicContact CG1-CZ 4.33Å; V344-F360 HydrophobicContact CG2-CD1 4.16Å; V344-F360 HydrophobicContact CG2-CE1 4.08Å; V344-A364 HydrophobicContact CG1-CB 3.77Å; V344-V365 WeakPolarHBondContact CA-O 3.22Å; V344-V366 HydrophobicContact CG1-CG2 4.37Å; V344-V366 HydrophobicContact CG2-CG1 4.35Å; V344-V366 HydrophobicContact CG2-CG2 4.33Å
345F96.8Very high93.3Very high0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-114134.8173.6-62.8-71.8000110.8I285 L288 M289 V317 W320 I343 A347 E354 W355 A364 V365 F367I285-F345 HydrophobicContact CG2-CE1 4.13Å; L288-F345 HydrophobicContact CD1-CE1 3.81Å; L288-F345 HydrophobicContact CD1-CE2 4.07Å; L288-F345 HydrophobicContact CD1-CZ 3.43Å; L288-F345 VanDerWaalsContact CD1-CZ 3.43Å; M289-F345 HydrophobicContact SD-CB 3.71Å; M289-F345 HydrophobicContact SD-CG 4.25Å; V317-F345 HydrophobicContact CG1-CE2 4.38Å; V317-F345 HydrophobicContact CG2-CD2 4.45Å; V317-F345 HydrophobicContact CG2-CE2 3.85Å; W320-F345 AromaticContact CH2-CZ 3.98Å; W320-F345 HydrophobicContact CH2-CZ 3.98Å; W320-F345 HydrophobicContact CZ3-CE2 4.4Å; W320-F345 AromaticContact CZ3-CZ 3.88Å; W320-F345 HydrophobicContact CZ3-CZ 3.88Å; I343-F345 HydrophobicContact CG2-CD2 4.22Å; I343-F345 HydrophobicContact CG2-CE2 3.4Å; I343-F345 VanDerWaalsContact CG2-CE2 3.4Å; I343-F345 HydrophobicContact CG2-CZ 3.67Å; F345-A347 PolarHBondContact O-N 3.17Å; F345-E354 WeakPolarHBondContact CA-O 3.34Å; F345-W355 HydrophobicContact CD1-CB 4.12Å; F345-W355 HydrophobicContact CD1-CG 4.38Å; F345-W355 HydrophobicContact CE1-CB 3.88Å; F345-W355 AromaticContact CE1-CG 3.85Å; F345-W355 HydrophobicContact CE1-CG 3.85Å; F345-A364 VanDerWaalsContact O-CA 3.26Å; F345-A364 WeakPolarHBondContact O-CA 3.2Å; F345-A364 WeakPolarHBondContact O-CB 3.33Å; F345-V365 HydrophobicContact CB-CG1 3.88Å; F345-V365 PolarHBondContact N-O 2.98Å; F345-V365 PolarHBondContact O-N 3.2Å; F345-F367 HydrophobicContact CD2-CD2 4.34Å; F345-F367 HydrophobicContact CD2-CE2 4.31Å
346S95.8Very high93.4Very high1 Ų147.5 Ų47.51%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-63.8135.6173-177.80000110.2E348 D351 G353 E354S346-E348 WeakPolarHBondContact OG-CB 3.45Å; S346-E348 PolarHBondContact OG-N 3.47Å; S346-E348 VanDerWaalsContact OG-N 3.11Å; S346-D351 VanDerWaalsContact CB-O 3.28Å; S346-D351 WeakPolarHBondContact CB-O 3.46Å; S346-D351 VanDerWaalsContact OG-CG 3.28Å; S346-D351 PolarHBondContact OG-OD1 3.27Å; S346-G353 PolarHBondContact O-N 3.43Å; S346-E354 PolarHBondContact N-O 2.92Å
347A94.7Very high93.3Very high0 Ų044 Ų440%024%0.241CC..  trans-106.44.816900000111.8C294 L297 R298 F345 C363C294-A347 WeakPolarHBondContact CB-O 3.41Å; L297-A347 HydrophobicContact CB-CB 3.91Å; L297-A347 HydrophobicContact CD1-CB 3.95Å; R298-A347 WeakPolarHBondContact CD-O 3.28Å; R298-A347 HydrophobicContact CG-CB 4.22Å; R298-A347 WeakPolarHBondContact CG-O 3.41Å; R298-A347 PolarHBondContact NE-O 3.19Å; F345-A347 PolarHBondContact O-N 3.17Å; A347-C363 WeakPolarHBondContact CA-O 3.45Å; A347-C363 HydrophobicContact CB-CB 4.08Å; A347-C363 PolarHBondContact N-O 2.83Å
348E93.3Very high93.2Very high65 Ų6547.5 Ų47.530%0.30425%0.254SS..SBendtrans-68.1160179.4-75.2-64.1163.500112.3S346 N350 D351 C352 G362 C363S346-E348 WeakPolarHBondContact OG-CB 3.45Å; S346-E348 PolarHBondContact OG-N 3.47Å; S346-E348 VanDerWaalsContact OG-N 3.11Å; E348-N350 PolarHBondContact O-N 3.14Å; E348-D351 WeakPolarHBondContact CB-OD1 3.49Å; E348-C352 VanDerWaalsContact O-CA 3.29Å; E348-C352 WeakPolarHBondContact O-CA 3.4Å; E348-C352 VanDerWaalsContact O-CB 3.29Å; E348-C352 WeakPolarHBondContact O-CB 3.44Å; E348-C352 PolarHBondContact O-N 3.5Å; E348-C352 VanDerWaalsContact O-N 3.09Å; E348-G362 WeakPolarHBondContact OE1-CA 3.33Å; E348-C363 HydrophobicContact CG-CB 4.5Å; E348-C363 PolarHBondContact OE1-N 3.31Å
349H89.8Confident93.4Very high121 Ų12146.4 Ų46.456%0.5624%0.243SC*.SBendtrans-66.4-38.6-174.3-17447.1000113.1
350N89.8Confident93.5Very high156 Ų15645.5 Ų45.583%0.83424%0.235SC*.SBendtrans-87.6-22.8-168.5-65.1-18000113.6E348E348-N350 PolarHBondContact O-N 3.14Å
351D92.1Very high93.8Very high68 Ų6844.5 Ų44.536%0.36422%0.221SC..SBendtrans-134.629.1-176.865-11000111.4S346 E348 G353 E354S346-D351 VanDerWaalsContact CB-O 3.28Å; S346-D351 WeakPolarHBondContact CB-O 3.46Å; S346-D351 VanDerWaalsContact OG-CG 3.28Å; S346-D351 PolarHBondContact OG-OD1 3.27Å; E348-D351 WeakPolarHBondContact CB-OD1 3.49Å; D351-G353 PolarHBondContact O-N 3.16Å; D351-E354 HydrophobicContact CB-CB 4.08Å; D351-E354 WeakPolarHBondContact O-CB 3.44Å; D351-E354 PolarHBondContact O-N 3.01Å
352C94.5Very high93.9Very high27 Ų2744.1 Ų44.118%0.18222%0.223CC..THydrogen-bonded Turntrans-45.6126.1175.9171.40000112.1T290 C294 E348 E354T290-C352 VanDerWaalsContact C-SG 3.52Å; T290-C352 PolarHBondContact O-SG 3.37Å; C294-C352 HydrophobicContact CB-CB 3.78Å; C294-C352 WeakPolarHBondContact CB-SG 3.26Å; C294-C352 VanDerWaalsContact SG-CA 3.51Å; C294-C352 WeakPolarHBondContact SG-CB 3.42Å; C294-C352 CovalentContact SG-SG 2.01Å; C294-C352 PolarHBondContact SG-SG 2.96Å; E348-C352 VanDerWaalsContact O-CA 3.29Å; E348-C352 WeakPolarHBondContact O-CA 3.4Å; E348-C352 VanDerWaalsContact O-CB 3.29Å; E348-C352 WeakPolarHBondContact O-CB 3.44Å; E348-C352 PolarHBondContact O-N 3.5Å; E348-C352 VanDerWaalsContact O-N 3.09Å; C352-E354 VanDerWaalsContact C-N 3.26Å; C352-E354 PolarHBondContact O-N 3.25Å
353G93.6Very high93.8Very high9 Ų944.2 Ų44.29%0.09322%0.223CC..THydrogen-bonded Turntrans79.3-0.6-179.400000114.8S346 D351 W355S346-G353 PolarHBondContact O-N 3.43Å; D351-G353 PolarHBondContact O-N 3.16Å; G353-W355 PolarHBondContact O-N 3.4Å
354E95Very high93.7Very high60 Ų6044.2 Ų44.228%0.2822%0.223SC..  trans-64.1134.1174.8-17060.9-144.300110.1K217 F345 S346 D351 C352 L356K217-E354 VanDerWaalsContact NZ-CD 3.3Å; K217-E354 IonicContact NZ-OE1 2.88Å; K217-E354 PolarHBondContact NZ-OE1 3.4Å; K217-E354 IonicContact NZ-OE2 3.08Å; K217-E354 PolarHBondContact NZ-OE2 3.39Å; F345-E354 WeakPolarHBondContact CA-O 3.34Å; S346-E354 PolarHBondContact N-O 2.92Å; D351-E354 HydrophobicContact CB-CB 4.08Å; D351-E354 WeakPolarHBondContact O-CB 3.44Å; D351-E354 PolarHBondContact O-N 3.01Å; C352-E354 VanDerWaalsContact C-N 3.26Å; C352-E354 PolarHBondContact O-N 3.25Å; E354-L356 HydrophobicContact CB-CD2 4.48Å; E354-L356 HydrophobicContact CG-CD2 4.4Å; E354-L356 PolarHBondContact O-N 3.47Å
355W95.9Very high93.7Very high7 Ų744.2 Ų44.23%0.02722%0.223CC..EExtended strand (participates in β ladder)trans-82.4103.8-177.9-171.37.7000110.2P206 R209 R210 Y213 F280 Y282 I285 W320 F345 G353P206-W355 HydrophobicContact CB-CZ2 4.35Å; P206-W355 WeakPolarHBondContact O-CZ2 3.47Å; R209-W355 HydrophobicContact CB-CH2 3.48Å; R209-W355 VanDerWaalsContact CB-CH2 3.48Å; R209-W355 HydrophobicContact CB-CZ2 4.38Å; R209-W355 HydrophobicContact CB-CZ3 4.22Å; R210-W355 VanDerWaalsContact CA-CZ3 3.44Å; R210-W355 HydrophobicContact CB-CD2 3.76Å; R210-W355 HydrophobicContact CB-CE3 4.01Å; R210-W355 HydrophobicContact CB-CG 4.33Å; R210-W355 HydrophobicContact CB-CH2 4.01Å; R210-W355 HydrophobicContact CB-CZ2 3.74Å; R210-W355 HydrophobicContact CB-CZ3 4.14Å; R210-W355 WeakPolarHBondContact CD-O 3.45Å; R210-W355 HydrophobicContact CG-CB 4.22Å; R210-W355 HydrophobicContact CG-CD2 3.54Å; R210-W355 HydrophobicContact CG-CE3 3.99Å; R210-W355 HydrophobicContact CG-CG 3.63Å; R210-W355 HydrophobicContact CG-CZ2 4.43Å; R210-W355 WeakPolarHBondContact CG-O 2.9Å; Y213-W355 HydrophobicContact CD1-CB 4.4Å; Y213-W355 AromaticContact CD1-CE3 3.97Å; Y213-W355 HydrophobicContact CD1-CE3 3.97Å; Y213-W355 HydrophobicContact CE1-CB 4.37Å; Y213-W355 HydrophobicContact CG-CE3 4.06Å; Y213-W355 HydrophobicContact CG-CZ3 4.45Å; F280-W355 HydrophobicContact CE1-CZ3 4.45Å; Y282-W355 HydrophobicContact CE1-CZ3 4.48Å; I285-W355 HydrophobicContact CD1-CD2 4.45Å; I285-W355 HydrophobicContact CD1-CE3 3.37Å; I285-W355 HydrophobicContact CD1-CH2 4.48Å; I285-W355 HydrophobicContact CD1-CZ3 3.38Å; I285-W355 HydrophobicContact CG2-CB 4.33Å; I285-W355 HydrophobicContact CG2-CE3 4.47Å; W320-W355 HydrophobicContact CH2-CH2 4.07Å; W320-W355 AromaticContact CH2-CZ2 3.95Å; W320-W355 HydrophobicContact CH2-CZ2 3.95Å; W320-W355 HydrophobicContact CH2-CZ3 4.46Å; W320-W355 AromaticContact CZ2-CH2 3.33Å; W320-W355 HydrophobicContact CZ2-CH2 3.33Å; W320-W355 AromaticContact CZ2-CZ2 3.29Å; W320-W355 HydrophobicContact CZ2-CZ2 3.29Å; W320-W355 HydrophobicContact CZ2-CZ3 4.08Å; F345-W355 HydrophobicContact CD1-CB 4.12Å; F345-W355 HydrophobicContact CD1-CG 4.38Å; F345-W355 HydrophobicContact CE1-CB 3.88Å; F345-W355 AromaticContact CE1-CG 3.85Å; F345-W355 HydrophobicContact CE1-CG 3.85Å; G353-W355 PolarHBondContact O-N 3.4Å
356L94.9Very high93.6Very high36 Ų3644.2 Ų44.219%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-85164.8-175.5-55.2-175.8000112.1R210 V344 E354 F360 A364R210-L356 VanDerWaalsContact CD-C 3.41Å; R210-L356 WeakPolarHBondContact CD-O 3.38Å; V344-L356 HydrophobicContact CB-CB 4.1Å; V344-L356 HydrophobicContact CG1-CB 3.92Å; V344-L356 HydrophobicContact CG1-CD1 4.23Å; V344-L356 PolarHBondContact O-N 3.36Å; E354-L356 HydrophobicContact CB-CD2 4.48Å; E354-L356 HydrophobicContact CG-CD2 4.4Å; E354-L356 PolarHBondContact O-N 3.47Å; L356-F360 HydrophobicContact CB-CB 4.41Å; L356-F360 HydrophobicContact CD1-CB 3.8Å; L356-A364 HydrophobicContact CD1-CB 4.31Å
357G92.1Very high93.7Very high13 Ų1344.2 Ų44.213%0.13422%0.223CC..  trans-77.8177.5169.400000112.8W359G357-W359 PolarHBondContact O-N 2.88Å
358K90.9Very high93.7Very high84 Ų8444.9 Ų44.937%0.36523%0.227SC..SBendtrans-60.5-25.3175.468.6173-177.6149.90113.5E336 A337E336-K358 CarbonylContact C-O 3.52Å; E336-K358 WeakPolarHBondContact CA-O 3.49Å; E336-K358 HydrophobicContact CG-CD 4.45Å; E336-K358 WeakPolarHBondContact OE1-CD 3.38Å; E336-K358 WeakPolarHBondContact OE1-CE 3.3Å; E336-K358 IonicContact OE1-NZ 2.84Å; E336-K358 PolarHBondContact OE1-NZ 3.5Å; A337-K358 PolarHBondContact N-O 2.92Å
359W93Very high93.7Very high149 Ų14942.3 Ų42.356%0.56422%0.216SC*.EExtended strand (participates in β ladder)trans-100123.6172.7-58.995.9000109.9V334 R335 E336 G357V334-W359 HydrophobicContact CG1-CB 4.22Å; V334-W359 HydrophobicContact CG1-CE3 4.15Å; R335-W359 VanDerWaalsContact O-CA 3.31Å; R335-W359 WeakPolarHBondContact O-CA 3.23Å; E336-W359 HydrophobicContact CB-CD2 4.12Å; E336-W359 HydrophobicContact CB-CE3 3.76Å; E336-W359 HydrophobicContact CB-CH2 3.92Å; E336-W359 HydrophobicContact CB-CZ2 4.28Å; E336-W359 HydrophobicContact CB-CZ3 3.67Å; E336-W359 HydrophobicContact CG-CD2 4.06Å; E336-W359 HydrophobicContact CG-CE3 4.21Å; E336-W359 HydrophobicContact CG-CH2 4.13Å; E336-W359 HydrophobicContact CG-CZ2 3.97Å; E336-W359 HydrophobicContact CG-CZ3 4.26Å; E336-W359 WeakPolarHBondContact OE1-CZ2 3.32Å; E336-W359 VanDerWaalsContact OE2-CH2 3.27Å; E336-W359 WeakPolarHBondContact OE2-CH2 3.46Å; E336-W359 WeakPolarHBondContact OE2-CZ2 3.32Å; G357-W359 PolarHBondContact O-N 2.88Å
360F94.1Very high93.5Very high11 Ų1143 Ų435%0.04822%0.219CC..EExtended strand (participates in β ladder)trans-150.1160.6-176.859.8-86.3000112.2V334 R335 A337 V344 L356 A364 V366V334-F360 WeakPolarHBondContact CA-O 3.24Å; R335-F360 PolarHBondContact N-O 3.27Å; R335-F360 PolarHBondContact O-N 2.94Å; A337-F360 HydrophobicContact CB-CE1 4.2Å; V344-F360 HydrophobicContact CB-CD1 4.45Å; V344-F360 HydrophobicContact CG1-CB 4.44Å; V344-F360 HydrophobicContact CG1-CD1 3.64Å; V344-F360 HydrophobicContact CG1-CD2 4.34Å; V344-F360 HydrophobicContact CG1-CE1 3.88Å; V344-F360 HydrophobicContact CG1-CG 3.89Å; V344-F360 HydrophobicContact CG1-CZ 4.33Å; V344-F360 HydrophobicContact CG2-CD1 4.16Å; V344-F360 HydrophobicContact CG2-CE1 4.08Å; L356-F360 HydrophobicContact CB-CB 4.41Å; L356-F360 HydrophobicContact CD1-CB 3.8Å; F360-A364 HydrophobicContact CD2-CB 3.54Å; F360-A364 HydrophobicContact CE2-CB 3.62Å; F360-A364 HydrophobicContact CG-CB 4.3Å; F360-A364 HydrophobicContact CZ-CB 4.43Å; F360-V366 HydrophobicContact CE1-CG2 4.07Å; F360-V366 HydrophobicContact CZ-CG2 3.66Å
361N93.7Very high92.9Very high95 Ų9539.4 Ų39.451%0.50820%0.196SC..EExtended strand (participates in β ladder)trans-127.7-179.7170.463.96.1000109.5V334V334-N361 HydrophobicContact CG2-CB 4.41Å
362G93.3Very high91.4Very high12 Ų1245 Ų4512%0.12422%0.217CC..EExtended strand (participates in β ladder)trans71.4-155.1-176.100000112.5C330 G331 R335 E348C330-G362 WeakPolarHBondContact CA-O 3.38Å; G331-G362 PolarHBondContact N-O 3.44Å; G331-G362 VanDerWaalsContact N-O 3.07Å; G331-G362 WeakPolarHBondContact O-CA 3.47Å; G331-G362 PolarHBondContact O-N 3.43Å; R335-G362 PolarHBondContact NH2-O 2.94Å; E348-G362 WeakPolarHBondContact OE1-CA 3.33Å
363C94.1Very high89.6Confident14 Ų1447.9 Ų47.910%0.09523%0.23CC..EExtended strand (participates in β ladder)trans-91.5126.6173.6-70.90000111.5R298 T329 C330 A347 E348R298-C363 HydrophobicContact CG-CB 3.68Å; T329-C363 CarbonylContact O-C 3.59Å; T329-C363 WeakPolarHBondContact O-CA 3.31Å; C330-C363 HydrophobicContact CB-CB 4.14Å; C330-C363 WeakPolarHBondContact CB-SG 3.36Å; C330-C363 WeakPolarHBondContact SG-CB 3.39Å; C330-C363 CovalentContact SG-SG 2.04Å; C330-C363 PolarHBondContact SG-SG 2.75Å; A347-C363 WeakPolarHBondContact CA-O 3.45Å; A347-C363 HydrophobicContact CB-CB 4.08Å; A347-C363 PolarHBondContact N-O 2.83Å; E348-C363 HydrophobicContact CG-CB 4.5Å; E348-C363 PolarHBondContact OE1-N 3.31Å
364A95.2Very high87.1Confident0 Ų054.9 Ų54.90%026%0.264CS..EExtended strand (participates in β ladder)trans-142.8152.317500000111.7V328 T329 V344 F345 L356 F360V328-A364 WeakPolarHBondContact CA-O 3.18Å; T329-A364 PolarHBondContact N-O 3.17Å; T329-A364 PolarHBondContact O-N 3.18Å; V344-A364 HydrophobicContact CG1-CB 3.77Å; F345-A364 VanDerWaalsContact O-CA 3.26Å; F345-A364 WeakPolarHBondContact O-CA 3.2Å; F345-A364 WeakPolarHBondContact O-CB 3.33Å; L356-A364 HydrophobicContact CD1-CB 4.31Å; F360-A364 HydrophobicContact CD2-CB 3.54Å; F360-A364 HydrophobicContact CE2-CB 3.62Å; F360-A364 HydrophobicContact CG-CB 4.3Å; F360-A364 HydrophobicContact CZ-CB 4.43Å
365V95.2Very high84.3Confident0 Ų058.5 Ų58.50%029%0.285CS..EExtended strand (participates in β ladder)trans-102.5135.1168.459.10000109.2M289 L297 L313 Y325 V328 V344 F345 F367M289-V365 HydrophobicContact CE-CG1 4.28Å; M289-V365 HydrophobicContact SD-CG1 4.06Å; L297-V365 HydrophobicContact CD1-CB 4.14Å; L297-V365 HydrophobicContact CD1-CG1 3.97Å; L313-V365 HydrophobicContact CD2-CG1 4.01Å; L313-V365 HydrophobicContact CD2-CG2 4.38Å; Y325-V365 HydrophobicContact CD2-CG2 4.22Å; Y325-V365 HydrophobicContact CE2-CG2 4.05Å; V328-V365 HydrophobicContact CG2-CB 4.16Å; V328-V365 HydrophobicContact CG2-CG2 3.96Å; V344-V365 WeakPolarHBondContact CA-O 3.22Å; F345-V365 HydrophobicContact CB-CG1 3.88Å; F345-V365 PolarHBondContact N-O 2.98Å; F345-V365 PolarHBondContact O-N 3.2Å; V365-F367 HydrophobicContact CB-CE2 4.42Å; V365-F367 HydrophobicContact CG1-CE2 4.05Å; V365-F367 HydrophobicContact CG2-CD2 4.31Å; V365-F367 HydrophobicContact CG2-CE2 3.55Å; V365-F367 HydrophobicContact CG2-CZ 3.84Å
366V95.8Very high83.7Confident1 Ų161.1 Ų61.11%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-117.7129.5-176.2-174.30000109.5S326 N327 A337 V344 F360S326-V366 WeakPolarHBondContact CB-O 3.27Å; S326-V366 PolarHBondContact N-O 3.36Å; N327-V366 PolarHBondContact N-O 2.78Å; N327-V366 PolarHBondContact O-N 2.68Å; N327-V366 WeakPolarHBondContact OD1-CB 3.02Å; N327-V366 WeakPolarHBondContact OD1-CG2 3.42Å; A337-V366 HydrophobicContact CB-CG1 4.11Å; V344-V366 HydrophobicContact CG1-CG2 4.37Å; V344-V366 HydrophobicContact CG2-CG1 4.35Å; V344-V366 HydrophobicContact CG2-CG2 4.33Å; F360-V366 HydrophobicContact CE1-CG2 4.07Å; F360-V366 HydrophobicContact CZ-CG2 3.66Å
367F96.1Very high83.1Confident0 Ų062.4 Ų62.40%030%0.304CS..EExtended strand (participates in β ladder)trans-115.3151.1166.8-57.9-96.4000109.1L313 E314 V317 S324 Y325 I343 F345 V365L313-F367 HydrophobicContact CB-CZ 4.36Å; L313-F367 HydrophobicContact CD2-CE2 4.02Å; L313-F367 HydrophobicContact CD2-CZ 3.81Å; L313-F367 HydrophobicContact CG-CE2 4.2Å; L313-F367 HydrophobicContact CG-CZ 3.73Å; E314-F367 HydrophobicContact CB-CE1 3.92Å; E314-F367 HydrophobicContact CG-CE1 4.24Å; V317-F367 HydrophobicContact CB-CD1 4.44Å; V317-F367 HydrophobicContact CB-CE1 4.47Å; V317-F367 HydrophobicContact CG1-CB 4.2Å; V317-F367 HydrophobicContact CG1-CD1 4.17Å; V317-F367 HydrophobicContact CG1-CD2 4.05Å; V317-F367 HydrophobicContact CG1-CG 3.88Å; V317-F367 HydrophobicContact CG2-CD2 4.17Å; V317-F367 HydrophobicContact CG2-CE1 4.44Å; V317-F367 HydrophobicContact CG2-CE2 3.85Å; V317-F367 HydrophobicContact CG2-CZ 4.02Å; S324-F367 CarbonylContact O-C 3.58Å; S324-F367 WeakPolarHBondContact O-CA 3.46Å; S324-F367 WeakPolarHBondContact O-CB 3.33Å; Y325-F367 HydrophobicContact CD2-CE1 4.2Å; Y325-F367 HydrophobicContact CD2-CZ 4.49Å; I343-F367 HydrophobicContact CB-CB 4.21Å; I343-F367 HydrophobicContact CD1-CB 4.49Å; I343-F367 PolarHBondContact N-O 3.42Å; I343-F367 PolarHBondContact O-N 3.22Å; F345-F367 HydrophobicContact CD2-CD2 4.34Å; F345-F367 HydrophobicContact CD2-CE2 4.31Å; V365-F367 HydrophobicContact CB-CE2 4.42Å; V365-F367 HydrophobicContact CG1-CE2 4.05Å; V365-F367 HydrophobicContact CG2-CD2 4.31Å; V365-F367 HydrophobicContact CG2-CE2 3.55Å; V365-F367 HydrophobicContact CG2-CZ 3.84Å
368C95.1Very high82.6Confident14 Ų1465.2 Ų65.210%0.09531%0.313CS..EExtended strand (participates in β ladder)trans-116.9126.5178.2-65.40000109.6S323 S324 S326 C339 E370S323-C368 CarbonylContact C-O 3.6Å; S323-C368 VanDerWaalsContact CA-O 3.29Å; S323-C368 WeakPolarHBondContact CA-O 3.24Å; S324-C368 PolarHBondContact N-O 3.2Å; S324-C368 PolarHBondContact O-N 2.97Å; S324-C368 PolarHBondContact OG-O 2.97Å; S326-C368 VanDerWaalsContact CB-SG 3.59Å; C339-C368 HydrophobicContact CB-CB 3.73Å; C339-C368 WeakPolarHBondContact CB-SG 3.45Å; C339-C368 VanDerWaalsContact SG-CA 3.54Å; C339-C368 WeakPolarHBondContact SG-CB 3.43Å; C339-C368 CovalentContact SG-SG 2.04Å; C339-C368 PolarHBondContact SG-SG 3.39Å; C368-E370 PolarHBondContact O-N 3.44Å
369D93.3Very high82.1Confident12 Ų1264.1 Ų64.16%0.06431%0.31CS..EExtended strand (participates in β ladder)trans-83.2101.5172.1176.832.5000109.2P206 N322 R341 I343 K371P206-D369 HydrophobicContact CG-CB 4.1Å; N322-D369 WeakPolarHBondContact CB-OD1 3.48Å; R341-D369 HydrophobicContact CB-CB 3.91Å; R341-D369 IonicContact CZ-OD2 3.99Å; R341-D369 IonicContact NE-OD2 2.75Å; R341-D369 PolarHBondContact NE-OD2 3.09Å; R341-D369 IonicContact NH2-OD2 3.76Å; R341-D369 PolarHBondContact NH2-OD2 2.73Å; R341-D369 PolarHBondContact O-N 3.21Å; I343-D369 HydrophobicContact CD1-CB 4.25Å; D369-K371 PolarHBondContact O-N 3.38Å
370E85.5Confident81.5Confident135 Ų13558.8 Ų58.863%0.63129%0.294SS*.  trans-80.324.6-175.4-66.7179.9-160.600113.3N322 S324 C368 K372N322-E370 PolarHBondContact O-N 3.05Å; S324-E370 PolarHBondContact OG-OE1 2.87Å; C368-E370 PolarHBondContact O-N 3.44Å; E370-K372 PolarHBondContact O-N 2.77Å
371K78.5Confident80.6Confident80 Ų8061.9 Ų61.935%0.34831%0.311SS..  trans-56.2115.2176.2-169.6176.8179.2-177.80108.9D204 D369 I373D204-K371 IonicContact OD1-NZ 2.86Å; D204-K371 PolarHBondContact OD1-NZ 3.47Å; D204-K371 IonicContact OD2-NZ 3.38Å; D204-K371 PolarHBondContact OD2-NZ 3.12Å; D369-K371 PolarHBondContact O-N 3.38Å; K371-I373 PolarHBondContact O-N 3.42Å; K371-I373 VanDerWaalsContact O-N 3.1Å
372K60.3Low79.7Confident185 Ų18559.6 Ų59.680%0.80430%0.296SS*.  trans-60.5116.2170-71.9-173.8178.7-177.20107.4E370 I374E370-K372 PolarHBondContact O-N 2.77Å; K372-I374 PolarHBondContact O-N 3.33Å
373I55.3Low78.6Confident89 Ų8963.2 Ų63.246%0.45631%0.31SS..  trans-65.2118.4162.6-56.7173.3000104K371 D375K371-I373 PolarHBondContact O-N 3.42Å; K371-I373 VanDerWaalsContact O-N 3.1Å; I373-D375 PolarHBondContact O-N 2.87Å
374I42.2Very low77.4Confident156 Ų15667.3 Ų67.380%0.833%0.328SS*.  trans-73102.5173-58.6174.1000104.5K372K372-I374 PolarHBondContact O-N 3.33Å
375D35.8Very low75.7Confident136 Ų13673.5 Ų73.573%0.72736%0.357SS*.  trans-66.30176.2-74.7-30.9000113.2Y158 I373Y158-D375 WeakPolarHBondContact CE2-OXT 3.21Å; Y158-D375 PolarHBondContact OH-OXT 2.88Å; I373-D375 PolarHBondContact O-N 2.87Å

Retrieved 375 of 375 residues in 195.2 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).