A0A087YL14_POEFO Loading...

Thymidylate kinase

Catalyzes the phosphorylation of thymidine monophosphate (dTMP) to thymidine diphosphate (dTDP), the immediate precursor for the DNA building block dTTP, with ATP as the preferred phosphoryl donor in the presence of Mg(2+).

AlphaFold DB , UniProt , Accession A0A087YL14, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 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
1T45.3Very low42.6Very low195 Ų195152.1 Ų152.1100%1.19684%0.844SS**  087032.90000108.5
2S38.3Very low42.7Very low117 Ų117151.1 Ų151.182%0.81884%0.844SS**PPolyproline II helixtrans-82.5134.7-178.1-53.60000110.2
3P49.9Very low43Very low126 Ų126152.9 Ų152.982%0.81885%0.845SS**PPolyproline II helixtrans-76.6132.6179.230.3-29.8000109.9
4R42.5Very low44.1Very low234 Ų234148.4 Ų148.488%0.88384%0.838SS**PPolyproline II helixtrans-69.2140.9172.4-66.3-177.7-163.3-177.64.3109.6
5P45Very low46.1Very low121 Ų121144.3 Ų144.379%0.78682%0.823SS**PPolyproline II helixtrans-69.3136.2173.726.9-27.9000109.8Q7P5-Q7 PolarHBondContact O-N 3.29Å
6R46.8Very low49Very low248 Ų248142.4 Ų142.494%0.93680%0.802SS**PPolyproline II helixtrans-60121171.6-74.9177.9178.6-179.1-1.1108.4S8R6-S8 PolarHBondContact O-N 3.28Å
7Q40.6Very low51.8Low188 Ų188135.7 Ų135.788%0.87976%0.761SS**PPolyproline II helixtrans-63.4120.2164.3-76.4177.8-25.200108P5 V9P5-Q7 PolarHBondContact O-N 3.29Å; Q7-V9 PolarHBondContact O-N 3.04Å
8S37.5Very low54.4Low92 Ų92128.3 Ų128.364%0.64372%0.72SS**PPolyproline II helixtrans-63.5119.9164.745.80000108R6 D10R6-S8 PolarHBondContact O-N 3.28Å; S8-D10 VanDerWaalsContact C-N 3.28Å; S8-D10 PolarHBondContact O-N 3.36Å
9V41.4Very low56.7Low147 Ų147121.6 Ų121.689%0.89168%0.683SS**  trans-70.393.8161.2-94.70000106.4Q7 G11Q7-V9 PolarHBondContact O-N 3.04Å; V9-G11 PolarHBondContact O-N 3.06Å
10D41.8Very low58.8Low138 Ų138115.5 Ų115.574%0.73865%0.649SS**  trans-59.3110.5167.3-71-30.5000107.5S8 V12S8-D10 VanDerWaalsContact C-N 3.28Å; S8-D10 PolarHBondContact O-N 3.36Å; D10-V12 PolarHBondContact O-N 3.15Å; D10-V12 VanDerWaalsContact O-N 3.15Å
11G39.8Very low60.7Low67 Ų67110 Ų11069%0.69162%0.618SS**  trans-58.6118.717200000108.3V9 M13V9-G11 PolarHBondContact O-N 3.06Å; G11-M13 VanDerWaalsContact C-N 3.26Å; G11-M13 PolarHBondContact O-N 3.01Å
12V43.9Very low63.3Low140 Ų140100.7 Ų100.785%0.84856%0.561SS**  trans-57.996.8165.8-177.70000106.1D10 A14D10-V12 PolarHBondContact O-N 3.15Å; D10-V12 VanDerWaalsContact O-N 3.15Å; V12-A14 PolarHBondContact O-N 2.8Å
13M46.7Very low66.2Low175 Ų17595.1 Ų95.186%0.86252%0.522SS*.  trans-57115.2166.3-76.8-164-73.400105.6G11 S15G11-M13 VanDerWaalsContact C-N 3.26Å; G11-M13 PolarHBondContact O-N 3.01Å; M13-S15 PolarHBondContact O-N 2.77Å
14A57.3Low68.5Low90 Ų9089.1 Ų89.174%0.74448%0.483SS*.  trans-53.8113174.700000107.5V12 K16V12-A14 PolarHBondContact O-N 2.8Å; A14-K16 PolarHBondContact O-N 2.93Å
15S74.8Confident70.8Confident87 Ų8778 Ų7861%0.60844%0.441SS*.PPolyproline II helixtrans-56.7125.9175.91760000107.8M13 R17M13-S15 PolarHBondContact O-N 2.77Å; S15-R17 PolarHBondContact O-N 2.7Å
16K93Very high72.5Confident114 Ų11472.7 Ų72.750%0.49641%0.406SS..PPolyproline II helixtrans-61.9119176.5-73.5174.6171.9-166.60108.7A14 G102 Q215A14-K16 PolarHBondContact O-N 2.93Å; K16-G102 VanDerWaalsContact O-CA 3.31Å; K16-G102 WeakPolarHBondContact O-CA 3.41Å; K16-Q215 VanDerWaalsContact CA-O 3.32Å; K16-Q215 WeakPolarHBondContact CA-O 2.89Å; K16-Q215 HydrophobicContact CB-CB 4.15Å; K16-Q215 HydrophobicContact CD-CB 4.34Å; K16-Q215 HydrophobicContact CD-CG 4.46Å; K16-Q215 HydrophobicContact CG-CB 4.21Å
17R96.8Very high74Confident28 Ų2861.9 Ų61.911%0.10637%0.367CS..PPolyproline II helixtrans-74.1157.9178.170.1164.7-178.390.5-7.7111.4S15 L99 D140 Q215 M217 P218S15-R17 PolarHBondContact O-N 2.7Å; R17-L99 CarbonylContact C-O 3.59Å; R17-L99 WeakPolarHBondContact CA-O 3.35Å; R17-L99 VanDerWaalsContact CB-O 3.26Å; R17-L99 WeakPolarHBondContact CB-O 3.4Å; R17-D140 IonicContact CZ-OD1 3.51Å; R17-D140 IonicContact CZ-OD2 3.62Å; R17-D140 IonicContact NH1-OD1 3.89Å; R17-D140 PolarHBondContact NH1-OD1 3.47Å; R17-D140 IonicContact NH1-OD2 2.63Å; R17-D140 PolarHBondContact NH1-OD2 3.34Å; R17-D140 IonicContact NH2-OD1 2.71Å; R17-D140 PolarHBondContact NH2-OD1 3.47Å; R17-D140 IonicContact NH2-OD2 3.61Å; R17-Q215 PolarHBondContact N-O 2.74Å; R17-M217 PolarHBondContact NE-O 3.29Å; R17-P218 PolarHBondContact NH2-O 2.86Å
18G98.1Very high75.9Confident2 Ų256 Ų562%0.02134%0.336CS..PPolyproline II helixtrans-72.1162166.800000111.7L99G18-L99 PolarHBondContact N-O 3.08Å; G18-L99 WeakPolarHBondContact O-CD2 3.26Å
19A98.6Very high78Confident1 Ų151.7 Ų51.71%0.00831%0.307CS..PPolyproline II helixtrans-87.8148.1172.800000111.3I21 L99 T104 L105 D140 I211A19-I21 HydrophobicContact CB-CD1 4.35Å; A19-I21 HydrophobicContact CB-CG1 4.09Å; A19-L99 WeakPolarHBondContact O-CD2 3.49Å; A19-T104 HydrophobicContact CB-CG2 4.25Å; A19-T104 PolarHBondContact N-OG1 3.27Å; A19-T104 CarbonylContact O-C 3.46Å; A19-T104 WeakPolarHBondContact O-CA 3.48Å; A19-T104 WeakPolarHBondContact O-CG2 3.21Å; A19-L105 PolarHBondContact O-N 2.96Å; A19-D140 VanDerWaalsContact CA-OD2 3.31Å; A19-D140 WeakPolarHBondContact CA-OD2 3.33Å; A19-D140 HydrophobicContact CB-CB 4.48Å; A19-I211 HydrophobicContact CB-CB 4.49Å; A19-I211 HydrophobicContact CB-CG1 3.76Å
20L98.9Very high80.3Confident0 Ų045.7 Ų45.70%028%0.275CS..EExtended strand (participates in β ladder)trans-99.4106.3167.5178.159.1000109.2M95 L99 L105 V107 P137 P139 D140 L141L20-M95 HydrophobicContact CD1-CE 3.59Å; L20-M95 HydrophobicContact CD2-CE 4.01Å; L20-M95 HydrophobicContact CG-CE 4.49Å; L20-L99 HydrophobicContact CB-CD1 4.2Å; L20-L99 HydrophobicContact CB-CD2 4.14Å; L20-L105 HydrophobicContact CD1-CB 3.93Å; L20-L105 HydrophobicContact CD1-CD1 4.49Å; L20-V107 HydrophobicContact CD1-CG2 3.57Å; L20-P137 HydrophobicContact CD2-CB 3.66Å; L20-P137 WeakPolarHBondContact CD2-O 3.35Å; L20-P139 HydrophobicContact CD2-CG 4.32Å; L20-P139 HydrophobicContact CG-CB 4.33Å; L20-P139 CarbonylContact O-C 3.6Å; L20-P139 WeakPolarHBondContact O-CA 3.38Å; L20-D140 PolarHBondContact N-OD2 3.31Å; L20-D140 PolarHBondContact O-N 3.31Å; L20-L141 PolarHBondContact O-N 2.82Å
21I98.9Very high82.8Confident0 Ų039.6 Ų39.60%024%0.242CC..EExtended strand (participates in β ladder)trans-112.2120.9-176-58.3177.2000108.8A19 L23 L38 T104 L105 V106 V107 L141 M143 I211A19-I21 HydrophobicContact CB-CD1 4.35Å; A19-I21 HydrophobicContact CB-CG1 4.09Å; I21-L23 HydrophobicContact CG2-CD1 4.16Å; I21-L38 HydrophobicContact CG2-CD2 4.46Å; I21-T104 HydrophobicContact CD1-CG2 3.91Å; I21-T104 HydrophobicContact CG1-CG2 4.36Å; I21-L105 PolarHBondContact N-O 3.19Å; I21-V106 CarbonylContact O-C 3.53Å; I21-V106 WeakPolarHBondContact O-CA 2.9Å; I21-V107 PolarHBondContact O-N 2.92Å; I21-L141 HydrophobicContact CG1-CB 4.49Å; I21-L141 HydrophobicContact CG2-CB 4.48Å; I21-L141 HydrophobicContact CG2-CD2 4.16Å; I21-L141 HydrophobicContact CG2-CG 4.44Å; I21-M143 HydrophobicContact CG2-CE 3.42Å; I21-M143 VanDerWaalsContact CG2-CE 3.42Å; I21-I211 HydrophobicContact CD1-CD1 4.28Å; I21-I211 HydrophobicContact CD1-CG1 4.17Å
22V98.8Very high85.4Confident0 Ų038.4 Ų38.40%022%0.221CC..EExtended strand (participates in β ladder)trans-110135-179.1176.30000110.1E24 V107 Y110 F112 P139 L141 V142 M143V22-E24 HydrophobicContact CG1-CG 3.94Å; V22-V107 WeakPolarHBondContact CA-O 3.26Å; V22-V107 HydrophobicContact CG2-CB 4.19Å; V22-Y110 HydrophobicContact CG2-CD1 4.29Å; V22-Y110 HydrophobicContact CG2-CG 4.11Å; V22-F112 HydrophobicContact CG1-CD2 4.38Å; V22-F112 HydrophobicContact CG1-CE2 4.47Å; V22-P139 HydrophobicContact CB-CB 4.37Å; V22-P139 HydrophobicContact CB-CG 4.4Å; V22-P139 HydrophobicContact CG2-CB 3.76Å; V22-P139 HydrophobicContact CG2-CG 3.53Å; V22-L141 PolarHBondContact N-O 3.38Å; V22-V142 HydrophobicContact CB-CG1 4.27Å; V22-V142 HydrophobicContact CB-CG2 4.42Å; V22-V142 HydrophobicContact CG1-CG1 4.23Å; V22-V142 CarbonylContact O-C 3.54Å; V22-V142 WeakPolarHBondContact O-CA 3.5Å; V22-M143 PolarHBondContact O-N 3.24Å
23L98.7Very high87.9Confident0 Ų035.2 Ų35.20%020%0.202CC..EExtended strand (participates in β ladder)trans-106.7119.8168.6-76.673.7000109.2I21 Q34 V106 V107 R109 M143 L145 I203I21-L23 HydrophobicContact CG2-CD1 4.16Å; L23-Q34 HydrophobicContact CD2-CB 3.74Å; L23-V106 HydrophobicContact CD1-CG1 3.97Å; L23-V107 PolarHBondContact N-O 3.39Å; L23-R109 PolarHBondContact O-N 3.28Å; L23-M143 WeakPolarHBondContact CA-O 3.37Å; L23-M143 HydrophobicContact CD1-CE 3.67Å; L23-M143 HydrophobicContact CG-CB 4.49Å; L23-M143 HydrophobicContact CG-CE 4.13Å; L23-L145 HydrophobicContact CB-CD1 4.42Å; L23-L145 HydrophobicContact CD2-CD1 4.14Å; L23-L145 HydrophobicContact CG-CD1 4.25Å; L23-I203 HydrophobicContact CD2-CD1 4.01Å
24E97.9Very high90.3Very high0 Ų027.2 Ų27.20%016%0.162CC..EExtended strand (participates in β ladder)trans-115168.4174.4-72.9-67.8-177.100110.7V22 Y110 F112 S113 V142 M143 F144 L145 F176 W187V22-E24 HydrophobicContact CG1-CG 3.94Å; E24-Y110 PolarHBondContact OE1-N 3.35Å; E24-F112 HydrophobicContact CG-CB 3.98Å; E24-F112 HydrophobicContact CG-CD2 3.89Å; E24-F112 HydrophobicContact CG-CG 4.36Å; E24-S113 PolarHBondContact OE1-N 3.46Å; E24-S113 WeakPolarHBondContact OE2-CB 3.44Å; E24-S113 PolarHBondContact OE2-OG 2.69Å; E24-V142 HydrophobicContact CB-CG1 4.49Å; E24-V142 HydrophobicContact CG-CG1 4.08Å; E24-M143 PolarHBondContact N-O 2.6Å; E24-F144 HydrophobicContact CB-CD2 4.16Å; E24-F144 WeakPolarHBondContact O-CA 3.07Å; E24-L145 PolarHBondContact O-N 3.15Å; E24-F176 HydrophobicContact CB-CE1 3.91Å; E24-F176 HydrophobicContact CB-CZ 4.36Å; E24-F176 HydrophobicContact CG-CE1 4.02Å; E24-F176 WeakPolarHBondContact OE2-CZ 3.48Å; E24-W187 HydrophobicContact CB-CZ3 4.43Å
25G91.2Very high92.3Very high0 Ų022.9 Ų22.90%013%0.127CC..EExtended strand (participates in β ladder)trans149.4163.8-177.700000112.2K31 R109G25-K31 PolarHBondContact O-NZ 3.4Å; G25-R109 PolarHBondContact O-NH1 3.48Å
26V81.1Confident93.4Very high9 Ų925 Ų256%0.05513%0.125CC..SBendtrans-61.3165.3174-630000111.7A29 K31 Q173V26-A29 HydrophobicContact CG2-CB 4.36Å; V26-A29 WeakPolarHBondContact O-CB 3.32Å; V26-A29 PolarHBondContact O-N 2.99Å; V26-K31 PolarHBondContact O-NZ 2.7Å; V26-Q173 HydrophobicContact CG1-CB 4.16Å
27D78.9Confident93.6Very high22 Ų2221.8 Ų21.812%0.11811%0.111CC..THydrogen-bonded Turntrans-56.6142.8174.9-70.5-21.7000111.2A29 R109 Q169D27-A29 PolarHBondContact O-N 2.71Å; D27-A29 VanDerWaalsContact O-N 3.16Å; D27-R109 IonicContact OD1-CZ 2.9Å; D27-R109 IonicContact OD1-NH2 2.58Å; D27-R109 PolarHBondContact OD1-NH2 2.93Å; D27-Q169 PolarHBondContact OD2-NE2 2.82Å
28R79.1Confident93.7Very high63 Ų6320.4 Ų20.424%0.23811%0.106CC..THydrogen-bonded Turntrans63.310.7-177.2-53.8-171.5174.7124.715.9117.8G30 R155 G156 Q157 G159R28-G30 PolarHBondContact O-N 3.2Å; R28-G30 VanDerWaalsContact O-N 3.07Å; R28-R155 HydrophobicContact CB-CB 4.4Å; R28-R155 WeakPolarHBondContact O-CD 3.41Å; R28-R155 PolarHBondContact O-NH1 2.73Å; R28-G156 PolarHBondContact NH1-O 3.19Å; R28-Q157 VanDerWaalsContact CZ-C 3.48Å; R28-Q157 PolarHBondContact NH1-O 3.33Å; R28-Q157 VanDerWaalsContact NH1-O 3.11Å; R28-Q157 VanDerWaalsContact NH2-C 3.32Å; R28-Q157 PolarHBondContact NH2-O 2.95Å; R28-G159 VanDerWaalsContact NH2-N 3.11Å
29A82.4Confident93.8Very high2 Ų221 Ų212%0.01711%0.109CC..SBendtrans-60.9-16.9170.100000113.5V26 D27 L145 R155V26-A29 HydrophobicContact CG2-CB 4.36Å; V26-A29 WeakPolarHBondContact O-CB 3.32Å; V26-A29 PolarHBondContact O-N 2.99Å; D27-A29 PolarHBondContact O-N 2.71Å; D27-A29 VanDerWaalsContact O-N 3.16Å; A29-L145 HydrophobicContact CB-CB 3.8Å; A29-R155 PolarHBondContact O-NH1 3.36Å
30G88.8Confident93.8Very high22 Ų2226 Ų2623%0.22713%0.132CC..SBendtrans100.311.8177.600000114.8R28 T32 T33 Q34R28-G30 PolarHBondContact O-N 3.2Å; R28-G30 VanDerWaalsContact O-N 3.07Å; G30-T32 PolarHBondContact O-N 3.08Å; G30-T33 WeakPolarHBondContact O-CB 3.37Å; G30-T33 PolarHBondContact O-N 2.96Å; G30-T33 VanDerWaalsContact O-N 3.12Å; G30-Q34 WeakPolarHBondContact O-CG 3.39Å; G30-Q34 PolarHBondContact O-N 3.43Å
31K94.3Very high93.7Very high10 Ų1026.6 Ų26.64%0.04314%0.138CC..Hα-helixtrans-46.9-54.8-177.1-61-178.3-68-77.50113.8G25 V26 T33 Q34 C35 D108 R109 L145G25-K31 PolarHBondContact O-NZ 3.4Å; V26-K31 PolarHBondContact O-NZ 2.7Å; K31-T33 VanDerWaalsContact C-N 3.33Å; K31-T33 PolarHBondContact O-N 2.77Å; K31-Q34 PolarHBondContact O-N 2.9Å; K31-C35 WeakPolarHBondContact O-CB 3.39Å; K31-C35 PolarHBondContact O-N 3.08Å; K31-C35 PolarHBondContact O-SG 3.48Å; K31-D108 WeakPolarHBondContact CB-OD1 3.41Å; K31-R109 HydrophobicContact CD-CG 4.43Å; K31-L145 HydrophobicContact CG-CD2 4.28Å
32T95.2Very high93.7Very high41 Ų4126.7 Ų26.725%0.25214%0.138SC..Hα-helixtrans-60.5-42.2-178.3-48.80000112.1G30 K36 M51 D108G30-T32 PolarHBondContact O-N 3.08Å; T32-K36 WeakPolarHBondContact O-CG 3.24Å; T32-K36 PolarHBondContact O-N 3.39Å; T32-K36 VanDerWaalsContact O-N 3.14Å; T32-M51 HydrophobicContact CG2-CE 4.04Å; T32-D108 WeakPolarHBondContact CA-OD2 3.05Å; T32-D108 VanDerWaalsContact CB-OD2 3.29Å; T32-D108 WeakPolarHBondContact CB-OD2 3.47Å; T32-D108 PolarHBondContact N-OD2 3.46Å; T32-D108 PolarHBondContact OG1-OD2 3.43Å
33T95.9Very high93.7Very high73 Ų7331.7 Ų31.745%0.44816%0.161SC..Hα-helixtrans-61.4-47.1176.3-57.40000110.6G30 K31 K36 K37 V196G30-T33 WeakPolarHBondContact O-CB 3.37Å; G30-T33 PolarHBondContact O-N 2.96Å; G30-T33 VanDerWaalsContact O-N 3.12Å; K31-T33 VanDerWaalsContact C-N 3.33Å; K31-T33 PolarHBondContact O-N 2.77Å; T33-K36 PolarHBondContact O-N 3.16Å; T33-K37 HydrophobicContact CG2-CD 4.28Å; T33-K37 WeakPolarHBondContact O-CG 3.44Å; T33-K37 PolarHBondContact O-N 3.31Å; T33-V196 HydrophobicContact CG2-CG1 4.12Å
34Q97.9Very high93.6Very high7 Ų738.7 Ų38.73%0.03319%0.194CC..Hα-helixtrans-69.6-36.8-178.3-66.1-59.7-10.800113L23 G30 K31 K37 L38 L145 V196 V199 H200 I203L23-Q34 HydrophobicContact CD2-CB 3.74Å; G30-Q34 WeakPolarHBondContact O-CG 3.39Å; G30-Q34 PolarHBondContact O-N 3.43Å; K31-Q34 PolarHBondContact O-N 2.9Å; Q34-K37 PolarHBondContact O-N 3.02Å; Q34-L38 VanDerWaalsContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CB 3.46Å; Q34-L38 PolarHBondContact O-N 3.36Å; Q34-L145 HydrophobicContact CG-CD2 4.13Å; Q34-V196 PolarHBondContact NE2-O 3.14Å; Q34-V199 HydrophobicContact CG-CG1 3.98Å; Q34-H200 VanDerWaalsContact OE1-CA 3.24Å; Q34-H200 VanDerWaalsContact OE1-CB 3.25Å; Q34-I203 HydrophobicContact CB-CD1 3.56Å; Q34-I203 HydrophobicContact CG-CD1 3.62Å
35C98.4Very high93.6Very high0 Ų041.3 Ų41.30%021%0.213CC..Hα-helixtrans-59.4-48.9173-69.20000111.3K31 L38 V39 M51 V106K31-C35 WeakPolarHBondContact O-CB 3.39Å; K31-C35 PolarHBondContact O-N 3.08Å; K31-C35 PolarHBondContact O-SG 3.48Å; C35-L38 PolarHBondContact O-N 3.39Å; C35-V39 WeakPolarHBondContact O-CG2 3.31Å; C35-V39 PolarHBondContact O-N 3.19Å; C35-M51 HydrophobicContact CB-CE 3.46Å; C35-M51 VanDerWaalsContact CB-CE 3.46Å; C35-M51 HydrophobicContact CB-CG 4.19Å; C35-M51 HydrophobicContact CB-SD 3.8Å; C35-V106 HydrophobicContact CB-CG1 3.89Å
36K98.3Very high93.8Very high132 Ų13244.5 Ų44.557%0.57425%0.245SC*.Hα-helixtrans-60.4-47.8178.7-72.2178.1179.4-177.60111.8T32 T33 L38 V39 Q40 M51T32-K36 WeakPolarHBondContact O-CG 3.24Å; T32-K36 PolarHBondContact O-N 3.39Å; T32-K36 VanDerWaalsContact O-N 3.14Å; T33-K36 PolarHBondContact O-N 3.16Å; K36-L38 VanDerWaalsContact C-N 3.34Å; K36-L38 PolarHBondContact O-N 3.35Å; K36-V39 PolarHBondContact O-N 2.84Å; K36-Q40 WeakPolarHBondContact O-CB 3.3Å; K36-Q40 PolarHBondContact O-N 2.9Å; K36-M51 HydrophobicContact CG-CE 4.49Å; K36-M51 HydrophobicContact CG-SD 3.63Å
37K98.3Very high94.5Very high45 Ų4548.2 Ų48.220%0.19626%0.258CS..Hα-helixtrans-61.3-42.3177.5-73.6-179.262.877.10111.8T33 Q34 Q40 A41 V196 E197 H200T33-K37 HydrophobicContact CG2-CD 4.28Å; T33-K37 WeakPolarHBondContact O-CG 3.44Å; T33-K37 PolarHBondContact O-N 3.31Å; Q34-K37 PolarHBondContact O-N 3.02Å; K37-Q40 PolarHBondContact O-N 3.2Å; K37-A41 WeakPolarHBondContact O-CB 3.28Å; K37-A41 PolarHBondContact O-N 2.88Å; K37-V196 HydrophobicContact CD-CG1 3.8Å; K37-E197 WeakPolarHBondContact CE-OE1 3.3Å; K37-E197 WeakPolarHBondContact CE-OE2 3.35Å; K37-E197 IonicContact NZ-OE1 3.06Å; K37-E197 PolarHBondContact NZ-OE1 3.23Å; K37-E197 IonicContact NZ-OE2 3.77Å; K37-E197 PolarHBondContact NZ-OE2 3.36Å; K37-H200 VanDerWaalsContact C-CE1 3.47Å; K37-H200 HydrophobicContact CD-CB 4.49Å; K37-H200 VanDerWaalsContact CE-CG 3.43Å; K37-H200 PolarHBondContact O-CE1 3.36Å
38L98.6Very high95.4Very high0 Ų051 Ų510%028%0.277CS..Hα-helixtrans-62.8-48.5178.2-179.760.7000111.9I21 Q34 C35 K36 Q40 A41 L42 V106 I203 R204 S207I21-L38 HydrophobicContact CG2-CD2 4.46Å; Q34-L38 VanDerWaalsContact O-CB 3.27Å; Q34-L38 WeakPolarHBondContact O-CB 3.46Å; Q34-L38 PolarHBondContact O-N 3.36Å; C35-L38 PolarHBondContact O-N 3.39Å; K36-L38 VanDerWaalsContact C-N 3.34Å; K36-L38 PolarHBondContact O-N 3.35Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.1Å; L38-A41 PolarHBondContact O-N 3.31Å; L38-L42 HydrophobicContact CD1-CD1 4.08Å; L38-L42 HydrophobicContact CD1-CG 4.08Å; L38-L42 HydrophobicContact CG-CD1 4Å; L38-L42 HydrophobicContact CG-CG 4.42Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.17Å; L38-L42 PolarHBondContact O-N 3.29Å; L38-V106 HydrophobicContact CB-CG1 4.48Å; L38-V106 HydrophobicContact CD2-CB 4.48Å; L38-V106 HydrophobicContact CD2-CG1 3.83Å; L38-V106 HydrophobicContact CD2-CG2 3.76Å; L38-V106 HydrophobicContact CG-CG1 4.48Å; L38-V106 HydrophobicContact CG-CG2 4.06Å; L38-I203 HydrophobicContact CB-CG2 4.43Å; L38-I203 HydrophobicContact CD1-CG2 4.43Å; L38-I203 HydrophobicContact CD2-CG2 3.91Å; L38-I203 HydrophobicContact CG-CG2 4.49Å; L38-R204 HydrophobicContact CD1-CB 4.37Å; L38-S207 VanDerWaalsContact CD2-OG 3.23Å; L38-S207 WeakPolarHBondContact CD2-OG 3.33Å
39V98.7Very high96.3Very high13 Ų1348.1 Ų48.18%0.07927%0.268CS..Hα-helixtrans-59.6-46.8177.7170.30000110.9C35 K36 A41 L42 Q43 A49 M51 V106C35-V39 WeakPolarHBondContact O-CG2 3.31Å; C35-V39 PolarHBondContact O-N 3.19Å; K36-V39 PolarHBondContact O-N 2.84Å; V39-A41 PolarHBondContact O-N 3.03Å; V39-L42 PolarHBondContact O-N 3.47Å; V39-Q43 HydrophobicContact CG1-CG 4.34Å; V39-Q43 WeakPolarHBondContact O-CB 3.3Å; V39-Q43 VanDerWaalsContact O-CG 3.27Å; V39-Q43 WeakPolarHBondContact O-CG 3.47Å; V39-Q43 PolarHBondContact O-N 2.74Å; V39-A49 HydrophobicContact CG1-CB 4.37Å; V39-M51 HydrophobicContact CG2-CB 4.03Å; V39-V106 HydrophobicContact CG2-CB 3.64Å; V39-V106 HydrophobicContact CG2-CG1 4.32Å; V39-V106 HydrophobicContact CG2-CG2 3.67Å
40Q98.5Very high97.1Very high106 Ų10651.3 Ų51.350%0.49528%0.282SS..Hα-helixtrans-58.8-47177.3-176.6-1807.300111.9K36 K37 L38 L42 Q43 Q44K36-Q40 WeakPolarHBondContact O-CB 3.3Å; K36-Q40 PolarHBondContact O-N 2.9Å; K37-Q40 PolarHBondContact O-N 3.2Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.1Å; Q40-L42 PolarHBondContact O-N 2.9Å; Q40-Q43 PolarHBondContact O-N 3.4Å; Q40-Q44 HydrophobicContact CG-CG 4.48Å; Q40-Q44 WeakPolarHBondContact O-CB 3.39Å; Q40-Q44 VanDerWaalsContact O-CG 3.26Å; Q40-Q44 WeakPolarHBondContact O-CG 3.47Å; Q40-Q44 PolarHBondContact O-N 3.35Å
41A98.3Very high97.6Very high14 Ų1453.1 Ų53.112%0.11629%0.285CS..Hα-helixtrans-64.5-38.9-179.900000112.5K37 L38 V39 S45K37-A41 WeakPolarHBondContact O-CB 3.28Å; K37-A41 PolarHBondContact O-N 2.88Å; L38-A41 PolarHBondContact O-N 3.31Å; V39-A41 PolarHBondContact O-N 3.03Å; A41-S45 PolarHBondContact O-N 3.27Å; A41-S45 VanDerWaalsContact O-N 3.14Å; A41-S45 PolarHBondContact O-OG 2.97Å
42L98.3Very high97.8Very high1 Ų153.8 Ų53.81%0.00529%0.289CS..Hα-helixtrans-64.6-48.3175.8-71.3173.9000110.9L38 V39 Q40 Q44 S45 G46 R47 A49 T104 V106 L208 I211L38-L42 HydrophobicContact CD1-CD1 4.08Å; L38-L42 HydrophobicContact CD1-CG 4.08Å; L38-L42 HydrophobicContact CG-CD1 4Å; L38-L42 HydrophobicContact CG-CG 4.42Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.17Å; L38-L42 PolarHBondContact O-N 3.29Å; V39-L42 PolarHBondContact O-N 3.47Å; Q40-L42 PolarHBondContact O-N 2.9Å; L42-Q44 PolarHBondContact O-N 3.22Å; L42-S45 CarbonylContact O-C 3.58Å; L42-S45 WeakPolarHBondContact O-CA 3.26Å; L42-S45 PolarHBondContact O-N 2.8Å; L42-S45 PolarHBondContact O-OG 2.8Å; L42-G46 PolarHBondContact O-N 3.48Å; L42-R47 CarbonylContact C-O 3.52Å; L42-R47 VanDerWaalsContact C-O 3.29Å; L42-R47 HydrophobicContact CB-CB 4.3Å; L42-R47 HydrophobicContact CD2-CB 4.47Å; L42-R47 WeakPolarHBondContact O-CB 3.43Å; L42-R47 PolarHBondContact O-N 3.13Å; L42-A49 HydrophobicContact CB-CB 3.73Å; L42-A49 HydrophobicContact CD1-CB 3.75Å; L42-A49 HydrophobicContact CG-CB 4.41Å; L42-T104 HydrophobicContact CD1-CG2 4.22Å; L42-V106 HydrophobicContact CD1-CG2 4.3Å; L42-L208 HydrophobicContact CD2-CD2 3.95Å; L42-I211 HydrophobicContact CD1-CD1 4.12Å; L42-I211 HydrophobicContact CD2-CD1 3.74Å
43Q98.3Very high97.9Very high106 Ų10657.2 Ų57.250%0.49530%0.297SS..Hα-helixtrans-60.4-43.9177.9-71.3174.1-12.500112V39 Q40 S45 G46 R47 A49V39-Q43 HydrophobicContact CG1-CG 4.34Å; V39-Q43 WeakPolarHBondContact O-CB 3.3Å; V39-Q43 VanDerWaalsContact O-CG 3.27Å; V39-Q43 WeakPolarHBondContact O-CG 3.47Å; V39-Q43 PolarHBondContact O-N 2.74Å; Q40-Q43 PolarHBondContact O-N 3.4Å; Q43-S45 PolarHBondContact O-N 2.85Å; Q43-G46 PolarHBondContact O-N 3.27Å; Q43-R47 WeakPolarHBondContact CA-O 3.22Å; Q43-R47 PolarHBondContact N-O 3.21Å; Q43-A49 PolarHBondContact NE2-O 2.93Å
44Q97.9Very high98Very high146 Ų14654 Ų5468%0.68228%0.277SS*.Hα-helixtrans-62-27.7175.3-74.9173.6-13.400113Q40 L42 G46Q40-Q44 HydrophobicContact CG-CG 4.48Å; Q40-Q44 WeakPolarHBondContact O-CB 3.39Å; Q40-Q44 VanDerWaalsContact O-CG 3.26Å; Q40-Q44 WeakPolarHBondContact O-CG 3.47Å; Q40-Q44 PolarHBondContact O-N 3.35Å; L42-Q44 PolarHBondContact O-N 3.22Å; Q44-G46 VanDerWaalsContact C-N 3.28Å
45S96.4Very high98Very high56 Ų5654.3 Ų54.339%0.39228%0.28SS..THydrogen-bonded Turntrans-86.59.3174.173.50000114.3A41 L42 Q43 R47A41-S45 PolarHBondContact O-N 3.27Å; A41-S45 VanDerWaalsContact O-N 3.14Å; A41-S45 PolarHBondContact O-OG 2.97Å; L42-S45 CarbonylContact O-C 3.58Å; L42-S45 WeakPolarHBondContact O-CA 3.26Å; L42-S45 PolarHBondContact O-N 2.8Å; L42-S45 PolarHBondContact O-OG 2.8Å; Q43-S45 PolarHBondContact O-N 2.85Å; S45-R47 VanDerWaalsContact C-N 3.33Å
46G96.6Very high98Very high67 Ų6756.4 Ų56.469%0.69129%0.291SS*.THydrogen-bonded Turntrans76.915.2-179.700000114.6L42 Q43 Q44L42-G46 PolarHBondContact O-N 3.48Å; Q43-G46 PolarHBondContact O-N 3.27Å; Q44-G46 VanDerWaalsContact C-N 3.28Å
47R96.1Very high97.9Very high87 Ų8753.6 Ų53.633%0.32828%0.277SS..  trans-100.6117.9178.3-63.7178.3-176-103.70109.6L42 Q43 S45 A49 N212L42-R47 CarbonylContact C-O 3.52Å; L42-R47 VanDerWaalsContact C-O 3.29Å; L42-R47 HydrophobicContact CB-CB 4.3Å; L42-R47 HydrophobicContact CD2-CB 4.47Å; L42-R47 WeakPolarHBondContact O-CB 3.43Å; L42-R47 PolarHBondContact O-N 3.13Å; Q43-R47 WeakPolarHBondContact CA-O 3.22Å; Q43-R47 PolarHBondContact N-O 3.21Å; S45-R47 VanDerWaalsContact C-N 3.33Å; R47-A49 PolarHBondContact O-N 3.28Å; R47-N212 PolarHBondContact NH1-OD1 3.38Å
48P97.6Very high97.9Very high79 Ų7955.5 Ų55.551%0.51330%0.296SS..  trans-59122.6175.8-23.834.3000110.9I103 T104P48-I103 HydrophobicContact CB-CB 4.5Å; P48-I103 HydrophobicContact CB-CG1 4.15Å; P48-T104 PolarHBondContact O-N 2.98Å
49A98.5Very high97.9Very high4 Ų456.9 Ų56.93%0.03330%0.304CS..EExtended strand (participates in β ladder)trans-146.2146.617800000110.6V39 L42 Q43 R47 T104V39-A49 HydrophobicContact CG1-CB 4.37Å; L42-A49 HydrophobicContact CB-CB 3.73Å; L42-A49 HydrophobicContact CD1-CB 3.75Å; L42-A49 HydrophobicContact CG-CB 4.41Å; Q43-A49 PolarHBondContact NE2-O 2.93Å; R47-A49 PolarHBondContact O-N 3.28Å; A49-T104 CarbonylContact C-O 3.59Å; A49-T104 WeakPolarHBondContact CA-O 3.48Å
50E98.7Very high97.9Very high68 Ų6861.4 Ų61.432%0.31833%0.332SS..EExtended strand (participates in β ladder)trans-137.1148.1176.7-70.9-167.8-118.500111.1K98 I103 T104 L105 V106E50-K98 IonicContact OE1-NZ 3.05Å; E50-K98 PolarHBondContact OE1-NZ 3.15Å; E50-K98 IonicContact OE2-NZ 2.65Å; E50-K98 PolarHBondContact OE2-NZ 3.4Å; E50-I103 HydrophobicContact CB-CG2 4.17Å; E50-I103 HydrophobicContact CG-CG2 3.8Å; E50-T104 PolarHBondContact N-O 2.9Å; E50-L105 HydrophobicContact CB-CD2 4.22Å; E50-V106 PolarHBondContact O-N 3.49Å
51M98.3Very high97.9Very high60 Ų6058.3 Ų58.330%0.29632%0.318SS..EExtended strand (participates in β ladder)trans-91.2138.2176.2-172.1174.2173.700110.4T32 C35 K36 V39 V106 D108T32-M51 HydrophobicContact CG2-CE 4.04Å; C35-M51 HydrophobicContact CB-CE 3.46Å; C35-M51 VanDerWaalsContact CB-CE 3.46Å; C35-M51 HydrophobicContact CB-CG 4.19Å; C35-M51 HydrophobicContact CB-SD 3.8Å; K36-M51 HydrophobicContact CG-CE 4.49Å; K36-M51 HydrophobicContact CG-SD 3.63Å; V39-M51 HydrophobicContact CG2-CB 4.03Å; M51-V106 CarbonylContact C-O 3.52Å; M51-V106 VanDerWaalsContact CA-O 3.31Å; M51-V106 WeakPolarHBondContact CA-O 3.43Å; M51-D108 HydrophobicContact CE-CB 3.91Å
52M98.4Very high97.9Very high25 Ų2557.6 Ų57.612%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-126.7161.6163.9-69.8-17814100109.8V94 M95 L105 V106 V107 D108M52-V94 HydrophobicContact CE-CG1 4.01Å; M52-M95 HydrophobicContact CE-CG 4.14Å; M52-M95 HydrophobicContact SD-CG 3.71Å; M52-L105 HydrophobicContact SD-CD1 4.04Å; M52-L105 HydrophobicContact SD-CD2 4.23Å; M52-V106 PolarHBondContact N-O 2.94Å; M52-V107 HydrophobicContact CB-CG1 4.25Å; M52-V107 HydrophobicContact CB-CG2 4.28Å; M52-V107 CarbonylContact O-C 3.57Å; M52-V107 WeakPolarHBondContact O-CA 3.45Å; M52-D108 PolarHBondContact O-N 2.86Å
53R97.9Very high97.9Very high113 Ų11363 Ų6343%0.42634%0.338SS..EExtended strand (participates in β ladder)trans-144.6139.6176.9177173179.7175.6-0.5109.9P55 D56 D108R53-P55 CarbonylContact O-C 3.49Å; R53-D56 PolarHBondContact O-N 2.85Å; R53-D108 WeakPolarHBondContact CA-O 3.36Å; R53-D108 HydrophobicContact CB-CB 4.1Å; R53-D108 HydrophobicContact CG-CB 4Å
54F98.3Very high97.9Very high4 Ų462 Ų622%0.01834%0.336CS..SBendtrans-114139.2170.3-67.5-75.2000111.7N87 R88 L91 M95 V107 D108 R109 Y110F54-N87 WeakPolarHBondContact CE1-O 3.48Å; F54-R88 HydrophobicContact CB-CG 4.44Å; F54-R88 HydrophobicContact CD1-CB 4.46Å; F54-R88 HydrophobicContact CD1-CG 3.68Å; F54-R88 HydrophobicContact CD2-CG 4.25Å; F54-R88 HydrophobicContact CE1-CB 4.27Å; F54-R88 HydrophobicContact CE1-CG 3.94Å; F54-R88 HydrophobicContact CE2-CG 4.45Å; F54-R88 HydrophobicContact CG-CG 3.85Å; F54-R88 HydrophobicContact CZ-CG 4.29Å; F54-L91 HydrophobicContact CE1-CB 4.22Å; F54-L91 HydrophobicContact CE1-CD1 3.79Å; F54-L91 HydrophobicContact CE1-CG 4.09Å; F54-L91 HydrophobicContact CZ-CB 4.12Å; F54-L91 HydrophobicContact CZ-CD1 4Å; F54-L91 HydrophobicContact CZ-CG 4.4Å; F54-M95 HydrophobicContact CE2-SD 4.33Å; F54-M95 HydrophobicContact CZ-SD 4.1Å; F54-V107 HydrophobicContact CD2-CG1 3.62Å; F54-V107 HydrophobicContact CE2-CG1 3.74Å; F54-D108 PolarHBondContact N-O 3.47Å; F54-R109 WeakPolarHBondContact CD2-O 3.4Å; F54-Y110 AromaticContact CD2-CD2 3.66Å; F54-Y110 HydrophobicContact CD2-CD2 3.66Å; F54-Y110 HydrophobicContact CD2-CE2 4.14Å; F54-Y110 AromaticContact CE2-CD2 3.63Å; F54-Y110 HydrophobicContact CE2-CD2 3.63Å; F54-Y110 AromaticContact CE2-CE2 3.64Å; F54-Y110 HydrophobicContact CE2-CE2 3.64Å; F54-Y110 HydrophobicContact CZ-CE2 4.32Å
55P98Very high97.9Very high15 Ų1555.1 Ų55.110%0.09730%0.303CS..SBendcis-68.5143.1-4.732-35.3000111.6R53 R57 I65 L69 F84 N87R53-P55 CarbonylContact O-C 3.49Å; P55-R57 HydrophobicContact CG-CG 4.27Å; P55-R57 PolarHBondContact O-N 3.4Å; P55-I65 HydrophobicContact CB-CB 4.45Å; P55-I65 HydrophobicContact CB-CD1 4.03Å; P55-I65 HydrophobicContact CB-CG2 3.88Å; P55-I65 HydrophobicContact CG-CG2 3.76Å; P55-L69 HydrophobicContact CG-CD1 4.33Å; P55-F84 HydrophobicContact CB-CD1 4.15Å; P55-F84 HydrophobicContact CB-CE1 3.94Å; P55-F84 HydrophobicContact CG-CD1 4.48Å; P55-F84 HydrophobicContact CG-CE1 3.79Å; P55-N87 WeakPolarHBondContact CA-OD1 3.25Å; P55-N87 WeakPolarHBondContact CB-OD1 3.49Å
56D97.9Very high97.9Very high44 Ų4453.2 Ų53.224%0.23529%0.29CS..  trans-77.3100.6167.4-176.2-14.2000107.6R53 S58 T59 G62 N87 L91R53-D56 PolarHBondContact O-N 2.85Å; D56-S58 PolarHBondContact O-N 3.49Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.44Å; D56-S58 PolarHBondContact OD1-N 3.22Å; D56-S58 PolarHBondContact OD1-OG 2.95Å; D56-S58 PolarHBondContact OD2-OG 3.37Å; D56-T59 PolarHBondContact O-OG1 3.25Å; D56-G62 WeakPolarHBondContact O-CA 3.44Å; D56-N87 PolarHBondContact N-OD1 2.85Å; D56-N87 PolarHBondContact O-ND2 3.06Å; D56-N87 VanDerWaalsContact O-ND2 3.09Å; D56-L91 HydrophobicContact CB-CD1 3.95Å; D56-L91 WeakPolarHBondContact OD2-CD1 3.29Å
57R97.4Very high98Very high72 Ų7251.3 Ų51.327%0.27227%0.268SS..THydrogen-bonded Turntrans-73.5-4-175.9-62.7-177.6-179.5-161.410.1113.6P55 S66 E70 E161P55-R57 HydrophobicContact CG-CG 4.27Å; P55-R57 PolarHBondContact O-N 3.4Å; R57-S66 WeakPolarHBondContact CD-OG 3.38Å; R57-S66 PolarHBondContact NH1-OG 3.18Å; R57-E70 IonicContact NH1-OE1 3.71Å; R57-E161 IonicContact CZ-OE1 2.69Å; R57-E161 IonicContact NH1-OE1 2.58Å; R57-E161 PolarHBondContact NH1-OE1 3.34Å; R57-E161 IonicContact NH2-OE1 3.74Å; R57-E161 PolarHBondContact NH2-OE1 3.38Å; R57-E161 IonicContact NH2-OE2 3.67Å; R57-E161 PolarHBondContact NH2-OE2 2.94Å
58S97.6Very high98Very high86 Ų8647.4 Ų47.460%0.60125%0.253SS*.THydrogen-bonded Turntrans-79.5-25.1-179.871.10000113.4D56D56-S58 PolarHBondContact O-N 3.49Å; D56-S58 VanDerWaalsContact OD1-CB 3.3Å; D56-S58 WeakPolarHBondContact OD1-CB 3.44Å; D56-S58 PolarHBondContact OD1-N 3.22Å; D56-S58 PolarHBondContact OD1-OG 2.95Å; D56-S58 PolarHBondContact OD2-OG 3.37Å
59T98.1Very high97.9Very high28 Ų2844.2 Ų44.217%0.17223%0.232CC..SBendtrans-81.2165.2-179.276.50000111.8D56 I61 G62 Q63 N87 E90D56-T59 PolarHBondContact O-OG1 3.25Å; T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 2.97Å; T59-G62 CarbonylContact O-C 3.29Å; T59-G62 WeakPolarHBondContact O-CA 3.44Å; T59-G62 PolarHBondContact O-N 3.38Å; T59-G62 VanDerWaalsContact O-N 3.14Å; T59-G62 PolarHBondContact OG1-N 3.44Å; T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.34Å; T59-Q63 PolarHBondContact O-N 2.95Å; T59-N87 PolarHBondContact OG1-ND2 3.07Å; T59-E90 VanDerWaalsContact CB-OE1 3.23Å; T59-E90 WeakPolarHBondContact CB-OE1 3.23Å; T59-E90 VanDerWaalsContact CG2-OE1 3.26Å; T59-E90 WeakPolarHBondContact CG2-OE1 3.25Å; T59-E90 PolarHBondContact OG1-OE1 3.2Å
60T98.5Very high97.8Very high108 Ų10847.5 Ų47.566%0.66325%0.246SC*.Hα-helixtrans-58.7-43.3175.8-55.30000111.9G62 Q63 L64T60-G62 VanDerWaalsContact C-N 3.34Å; T60-Q63 PolarHBondContact O-N 3.21Å; T60-L64 PolarHBondContact O-N 3.38Å
61I98.5Very high97.6Very high41 Ų4149.9 Ų49.921%0.2126%0.256CS..Hα-helixtrans-65-42.7175.2-65.8170.9000110T59 Q63 L64 I65 L83 A86 N87T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 2.97Å; I61-Q63 VanDerWaalsContact C-N 3.29Å; I61-Q63 PolarHBondContact O-N 2.83Å; I61-L64 WeakPolarHBondContact O-CB 3.41Å; I61-L64 PolarHBondContact O-N 2.65Å; I61-I65 HydrophobicContact CG2-CD1 3.97Å; I61-I65 WeakPolarHBondContact O-CG1 3.4Å; I61-I65 PolarHBondContact O-N 3.05Å; I61-L83 HydrophobicContact CG2-CB 4.12Å; I61-L83 HydrophobicContact CG2-CD2 4.13Å; I61-L83 VanDerWaalsContact CG2-O 3.31Å; I61-L83 WeakPolarHBondContact CG2-O 3.49Å; I61-A86 HydrophobicContact CD1-CB 3.92Å; I61-N87 HydrophobicContact CG2-CB 3.8Å
62G98.3Very high97.5Very high0 Ų054.6 Ų54.60%028%0.275CS..Hα-helixtrans-54.7-41.7174.600000114.2D56 T59 T60 I65 S66D56-G62 WeakPolarHBondContact O-CA 3.44Å; T59-G62 CarbonylContact O-C 3.29Å; T59-G62 WeakPolarHBondContact O-CA 3.44Å; T59-G62 PolarHBondContact O-N 3.38Å; T59-G62 VanDerWaalsContact O-N 3.14Å; T59-G62 PolarHBondContact OG1-N 3.44Å; T60-G62 VanDerWaalsContact C-N 3.34Å; G62-I65 PolarHBondContact O-N 3.24Å; G62-S66 PolarHBondContact O-N 3.23Å
63Q98.3Very high97.3Very high113 Ų11355.3 Ų55.353%0.52828%0.282SS..Hα-helixtrans-66.8-39.7178-70.9168.77.200111.9T59 T60 I61 I65 S66 A67T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.34Å; T59-Q63 PolarHBondContact O-N 2.95Å; T60-Q63 PolarHBondContact O-N 3.21Å; I61-Q63 VanDerWaalsContact C-N 3.29Å; I61-Q63 PolarHBondContact O-N 2.83Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-S66 PolarHBondContact O-N 3.39Å; Q63-A67 PolarHBondContact O-N 3.47Å
64L98.4Very high97.2Very high87 Ų8756.1 Ų56.146%0.45530%0.295SS..Hα-helixtrans-61.6-43.9173.6-64.9175.1000111.3T60 I61 A67 Y68 L83T60-L64 PolarHBondContact O-N 3.38Å; I61-L64 WeakPolarHBondContact O-CB 3.41Å; I61-L64 PolarHBondContact O-N 2.65Å; L64-A67 PolarHBondContact O-N 3.16Å; L64-Y68 PolarHBondContact O-N 3.37Å; L64-Y68 VanDerWaalsContact O-N 3.08Å; L64-L83 HydrophobicContact CB-CD1 4.34Å; L64-L83 HydrophobicContact CD1-CD1 4.46Å
65I98.1Very high97.2Very high0 Ų058.4 Ų58.40%031%0.307CS..Hα-helixtrans-63.4-43175.5-65.7166.3000110.8P55 I61 G62 Q63 Y68 L69 L83 F84 N87P55-I65 HydrophobicContact CB-CB 4.45Å; P55-I65 HydrophobicContact CB-CD1 4.03Å; P55-I65 HydrophobicContact CB-CG2 3.88Å; P55-I65 HydrophobicContact CG-CG2 3.76Å; I61-I65 HydrophobicContact CG2-CD1 3.97Å; I61-I65 WeakPolarHBondContact O-CG1 3.4Å; I61-I65 PolarHBondContact O-N 3.05Å; G62-I65 PolarHBondContact O-N 3.24Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; I65-Y68 PolarHBondContact O-N 3.23Å; I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.21Å; I65-L69 WeakPolarHBondContact O-CG 3.48Å; I65-L69 PolarHBondContact O-N 3.35Å; I65-L83 HydrophobicContact CD1-CB 4.32Å; I65-L83 HydrophobicContact CG1-CB 4.1Å; I65-F84 HydrophobicContact CD1-CD1 3.99Å; I65-F84 HydrophobicContact CD1-CE1 4.4Å; I65-F84 HydrophobicContact CD1-CG 4.17Å; I65-F84 HydrophobicContact CG2-CD1 4.05Å; I65-F84 HydrophobicContact CG2-CE1 3.37Å; I65-F84 HydrophobicContact CG2-CE2 3.89Å; I65-F84 HydrophobicContact CG2-CZ 3.27Å; I65-N87 HydrophobicContact CD1-CB 3.83Å
66S97.1Very high97.2Very high16 Ų1662.2 Ų62.211%0.11232%0.324CS..Hα-helixtrans-61.1-47.1178.5-155.20000111.2R57 G62 Q63 Y68 L69 E70R57-S66 WeakPolarHBondContact CD-OG 3.38Å; R57-S66 PolarHBondContact NH1-OG 3.18Å; G62-S66 PolarHBondContact O-N 3.23Å; Q63-S66 PolarHBondContact O-N 3.39Å; S66-Y68 VanDerWaalsContact C-N 3.27Å; S66-Y68 PolarHBondContact O-N 2.91Å; S66-L69 PolarHBondContact O-N 3.27Å; S66-E70 VanDerWaalsContact O-CB 3.3Å; S66-E70 WeakPolarHBondContact O-CB 3.39Å; S66-E70 VanDerWaalsContact O-CG 3.25Å; S66-E70 WeakPolarHBondContact O-CG 3.33Å; S66-E70 PolarHBondContact O-N 3.16Å; S66-E70 PolarHBondContact OG-OE1 3.13Å
67A97.4Very high97.2Very high28 Ų2862.6 Ų62.623%0.23133%0.325CS..Hα-helixtrans-58.8-40.4176.800000112Q63 L64 K71 K72 S73Q63-A67 PolarHBondContact O-N 3.47Å; L64-A67 PolarHBondContact O-N 3.16Å; A67-K71 PolarHBondContact O-N 3.44Å; A67-K72 HydrophobicContact CB-CB 4.38Å; A67-K72 PolarHBondContact O-N 3Å; A67-S73 PolarHBondContact O-N 3.04Å
68Y97.4Very high97.2Very high5 Ų563 Ų632%0.0233%0.331CS..Hα-helixtrans-66.5-45.4176.1170.6-91000112.8L64 I65 S66 E70 K71 S73 L75 V80 K121 R162 Y163L64-Y68 PolarHBondContact O-N 3.37Å; L64-Y68 VanDerWaalsContact O-N 3.08Å; I65-Y68 PolarHBondContact O-N 3.23Å; S66-Y68 VanDerWaalsContact C-N 3.27Å; S66-Y68 PolarHBondContact O-N 2.91Å; Y68-E70 VanDerWaalsContact C-N 3.31Å; Y68-E70 PolarHBondContact O-N 3.27Å; Y68-K71 PolarHBondContact O-N 2.95Å; Y68-K71 VanDerWaalsContact O-N 3.14Å; Y68-S73 PolarHBondContact N-OG 3.32Å; Y68-L75 HydrophobicContact CD2-CB 3.72Å; Y68-L75 HydrophobicContact CD2-CD1 4.24Å; Y68-L75 HydrophobicContact CD2-CG 4.04Å; Y68-L75 HydrophobicContact CE2-CB 4.08Å; Y68-L75 HydrophobicContact CG-CD1 4.33Å; Y68-V80 HydrophobicContact CD1-CG2 3.58Å; Y68-V80 HydrophobicContact CD2-CG2 4.33Å; Y68-V80 HydrophobicContact CE1-CB 4.34Å; Y68-V80 HydrophobicContact CE1-CG1 4.11Å; Y68-V80 HydrophobicContact CE1-CG2 3.7Å; Y68-V80 HydrophobicContact CE2-CB 4.41Å; Y68-V80 HydrophobicContact CE2-CG1 4.31Å; Y68-V80 HydrophobicContact CE2-CG2 4.43Å; Y68-V80 HydrophobicContact CG-CG2 3.89Å; Y68-K121 PolarHBondContact OH-NZ 2.89Å; Y68-R162 VanDerWaalsContact CE1-CD 3.43Å; Y68-R162 PolarHBondContact O-NE 3.25Å; Y68-R162 PolarHBondContact O-NH2 3.43Å; Y68-R162 VanDerWaalsContact O-NH2 3.16Å; Y68-R162 WeakPolarHBondContact OH-CD 3.49Å; Y68-Y163 HydrophobicContact CE1-CE2 4.15Å; Y68-Y163 AromaticContact CE1-CZ 3.78Å; Y68-Y163 WeakPolarHBondContact CE1-OH 3.42Å; Y68-Y163 PolarHBondContact OH-OH 3.5Å
69L95.3Very high97.3Very high11 Ų1162.1 Ų62.16%0.05832%0.321CS..Hα-helixtrans-64.7-36.5178.4-73.4176.6000111.9P55 I65 S66 K71 F84 E161 R162 Y163P55-L69 HydrophobicContact CG-CD1 4.33Å; I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.21Å; I65-L69 WeakPolarHBondContact O-CG 3.48Å; I65-L69 PolarHBondContact O-N 3.35Å; S66-L69 PolarHBondContact O-N 3.27Å; L69-K71 PolarHBondContact O-N 3.38Å; L69-F84 HydrophobicContact CD1-CZ 4.17Å; L69-F84 HydrophobicContact CD2-CZ 4.2Å; L69-F84 HydrophobicContact CG-CZ 4.32Å; L69-E161 CarbonylContact O-C 3.51Å; L69-E161 WeakPolarHBondContact O-CA 3.38Å; L69-R162 PolarHBondContact O-N 2.99Å; L69-Y163 HydrophobicContact CD2-CD2 3.74Å; L69-Y163 HydrophobicContact CD2-CE2 3.74Å
70E95.1Very high97.3Very high73 Ų7360.8 Ų60.834%0.34131%0.313SS..THydrogen-bonded Turntrans-77.72.4176.1-69.3168.3-149.900113.4R57 S66 Y68 K72R57-E70 IonicContact NH1-OE1 3.71Å; S66-E70 VanDerWaalsContact O-CB 3.3Å; S66-E70 WeakPolarHBondContact O-CB 3.39Å; S66-E70 VanDerWaalsContact O-CG 3.25Å; S66-E70 WeakPolarHBondContact O-CG 3.33Å; S66-E70 PolarHBondContact O-N 3.16Å; S66-E70 PolarHBondContact OG-OE1 3.13Å; Y68-E70 VanDerWaalsContact C-N 3.31Å; Y68-E70 PolarHBondContact O-N 3.27Å; E70-K72 HydrophobicContact CB-CD 4.19Å; E70-K72 HydrophobicContact CB-CG 4.14Å; E70-K72 PolarHBondContact O-N 3.49Å; E70-K72 WeakPolarHBondContact OE2-CD 3.27Å; E70-K72 WeakPolarHBondContact OE2-CE 3.38Å; E70-K72 IonicContact OE2-NZ 2.67Å; E70-K72 PolarHBondContact OE2-NZ 3.26Å
71K95Very high97.3Very high119 Ų11955.7 Ų55.752%0.51728%0.282SS..THydrogen-bonded Turntrans59.924.9-178.3-52.4169.6-178.5157.70113.5A67 Y68 L69 N160 R162A67-K71 PolarHBondContact O-N 3.44Å; Y68-K71 PolarHBondContact O-N 2.95Å; Y68-K71 VanDerWaalsContact O-N 3.14Å; L69-K71 PolarHBondContact O-N 3.38Å; K71-N160 WeakPolarHBondContact CE-O 3.4Å; K71-N160 PolarHBondContact NZ-O 2.99Å; K71-R162 HydrophobicContact CG-CB 4.35Å
72K96Very high97.3Very high159 Ų15957.9 Ų57.969%0.69129%0.294SS*.SBendtrans-85.5-19.8174.2-67.4176.2176.8165.80112.6A67 E70A67-K72 HydrophobicContact CB-CB 4.38Å; A67-K72 PolarHBondContact O-N 3Å; E70-K72 HydrophobicContact CB-CD 4.19Å; E70-K72 HydrophobicContact CB-CG 4.14Å; E70-K72 PolarHBondContact O-N 3.49Å; E70-K72 WeakPolarHBondContact OE2-CD 3.27Å; E70-K72 WeakPolarHBondContact OE2-CE 3.38Å; E70-K72 IonicContact OE2-NZ 2.67Å; E70-K72 PolarHBondContact OE2-NZ 3.26Å
73S95.6Very high97.3Very high40 Ų4059.5 Ų59.528%0.2830%0.302SS..SBendtrans-139.3150.4171.759.80000110.1A67 Y68 R162A67-S73 PolarHBondContact O-N 3.04Å; Y68-S73 PolarHBondContact N-OG 3.32Å; S73-R162 PolarHBondContact O-NH2 3.32Å
74D96.1Very high97.3Very high129 Ų12955.4 Ų55.469%0.6928%0.282SS*.  trans-105.1133167.7-72-47.6000109.2R162D74-R162 IonicContact OD1-CZ 3.51Å; D74-R162 VanDerWaalsContact OD1-CZ 3.26Å; D74-R162 IonicContact OD1-NH1 3.63Å; D74-R162 PolarHBondContact OD1-NH1 2.93Å; D74-R162 IonicContact OD1-NH2 2.74Å; D74-R162 PolarHBondContact OD1-NH2 2.85Å
75L96.4Very high97.4Very high52 Ų5251.4 Ų51.427%0.27226%0.262SS..  trans-126.4145175.7-64.4175.1000107.3Y68 V80 L83Y68-L75 HydrophobicContact CD2-CB 3.72Å; Y68-L75 HydrophobicContact CD2-CD1 4.24Å; Y68-L75 HydrophobicContact CD2-CG 4.04Å; Y68-L75 HydrophobicContact CE2-CB 4.08Å; Y68-L75 HydrophobicContact CG-CD1 4.33Å; L75-V80 HydrophobicContact CB-CB 4.19Å; L75-V80 HydrophobicContact CD1-CB 4.37Å; L75-V80 HydrophobicContact CD1-CG2 4.37Å; L75-L83 HydrophobicContact CD1-CD1 3.8Å
76E98Very high97.4Very high96 Ų9653.1 Ų53.145%0.44928%0.276SS..  trans-61.4145.4171.5-168.6-69.2133.400109.7H78 T79 V80E76-H78 VanDerWaalsContact CD-N 3.32Å; E76-H78 PolarHBondContact O-N 3.22Å; E76-H78 IonicContact OE1-CE1 3.39Å; E76-H78 IonicContact OE1-CG 2.98Å; E76-H78 PolarHBondContact OE1-N 3.23Å; E76-H78 IonicContact OE1-ND1 3.41Å; E76-H78 PolarHBondContact OE1-ND1 2.85Å; E76-H78 VanDerWaalsContact OE2-CA 3.31Å; E76-H78 WeakPolarHBondContact OE2-CA 3.2Å; E76-H78 WeakPolarHBondContact OE2-CB 3.3Å; E76-H78 IonicContact OE2-CG 3.35Å; E76-H78 PolarHBondContact OE2-N 3.28Å; E76-H78 IonicContact OE2-ND1 2.67Å; E76-T79 WeakPolarHBondContact O-CB 3.41Å; E76-T79 PolarHBondContact O-N 3.06Å; E76-T79 VanDerWaalsContact O-N 3.11Å; E76-T79 PolarHBondContact OE2-N 3.47Å; E76-T79 PolarHBondContact OE2-OG1 2.9Å; E76-V80 PolarHBondContact O-N 2.83Å
77D98Very high97.5Very high51 Ų5152.4 Ų52.427%0.27327%0.271SS..Hα-helixtrans-65.9-35.3-167.9-79.5-26.8000114V80 H81 K121 F124D77-V80 WeakPolarHBondContact O-CG1 3.31Å; D77-H81 VanDerWaalsContact O-CB 3.31Å; D77-H81 WeakPolarHBondContact O-CB 3.47Å; D77-H81 PolarHBondContact O-N 2.8Å; D77-H81 VanDerWaalsContact O-N 3.1Å; D77-K121 HydrophobicContact CB-CD 4.29Å; D77-K121 VanDerWaalsContact CG-NZ 3.3Å; D77-K121 IonicContact OD1-NZ 2.78Å; D77-K121 PolarHBondContact OD1-NZ 2.81Å; D77-K121 WeakPolarHBondContact OD2-CD 3.45Å; D77-K121 IonicContact OD2-NZ 3.22Å; D77-F124 HydrophobicContact CB-CE2 3.69Å; D77-F124 HydrophobicContact CB-CZ 3.44Å; D77-F124 VanDerWaalsContact CB-CZ 3.44Å
78H98.6Very high97.6Very high82 Ų8251.2 Ų51.238%0.3826%0.261SS..Hα-helixtrans-67.7-41.6172.5-54.476.8000110.3E76 H81 L82 F124 W128E76-H78 VanDerWaalsContact CD-N 3.32Å; E76-H78 PolarHBondContact O-N 3.22Å; E76-H78 IonicContact OE1-CE1 3.39Å; E76-H78 IonicContact OE1-CG 2.98Å; E76-H78 PolarHBondContact OE1-N 3.23Å; E76-H78 IonicContact OE1-ND1 3.41Å; E76-H78 PolarHBondContact OE1-ND1 2.85Å; E76-H78 VanDerWaalsContact OE2-CA 3.31Å; E76-H78 WeakPolarHBondContact OE2-CA 3.2Å; E76-H78 WeakPolarHBondContact OE2-CB 3.3Å; E76-H78 IonicContact OE2-CG 3.35Å; E76-H78 PolarHBondContact OE2-N 3.28Å; E76-H78 IonicContact OE2-ND1 2.67Å; H78-H81 PolarHBondContact O-N 3Å; H78-L82 WeakPolarHBondContact O-CG 3.42Å; H78-L82 PolarHBondContact O-N 2.89Å; H78-F124 AromaticContact CD2-CE1 3.59Å; H78-F124 AromaticContact CE1-CE1 3.83Å; H78-F124 AromaticContact CE1-CZ 3.61Å; H78-F124 AromaticContact CG-CE1 3.84Å; H78-F124 AromaticContact ND1-CE1 3.99Å; H78-F124 AromaticContact ND1-CZ 3.72Å; H78-F124 AromaticContact NE2-CE1 3.59Å; H78-F124 AromaticContact NE2-CZ 3.86Å; H78-W128 HydrophobicContact CB-CH2 3.94Å; H78-W128 HydrophobicContact CB-CZ2 4.18Å; H78-W128 AromaticContact CD2-CH2 3.66Å; H78-W128 AromaticContact CD2-CZ2 3.51Å
79T98.5Very high97.6Very high66 Ų6655.5 Ų55.541%0.40528%0.277SS..Hα-helixtrans-58.6-52.4178.3-57.90000111E76 H81 L82 L83E76-T79 WeakPolarHBondContact O-CB 3.41Å; E76-T79 PolarHBondContact O-N 3.06Å; E76-T79 VanDerWaalsContact O-N 3.11Å; E76-T79 PolarHBondContact OE2-N 3.47Å; E76-T79 PolarHBondContact OE2-OG1 2.9Å; T79-H81 VanDerWaalsContact C-N 3.33Å; T79-H81 PolarHBondContact O-N 2.84Å; T79-L82 PolarHBondContact O-N 2.94Å; T79-L83 HydrophobicContact CG2-CD1 4.4Å; T79-L83 WeakPolarHBondContact O-CG 3.38Å; T79-L83 PolarHBondContact O-N 2.96Å
80V98.3Very high97.8Very high1 Ų158.2 Ų58.21%0.00629%0.289CS..Hα-helixtrans-66.7-35.6-179.272.40000112.2Y68 L75 E76 D77 L82 L83 F84Y68-V80 HydrophobicContact CD1-CG2 3.58Å; Y68-V80 HydrophobicContact CD2-CG2 4.33Å; Y68-V80 HydrophobicContact CE1-CB 4.34Å; Y68-V80 HydrophobicContact CE1-CG1 4.11Å; Y68-V80 HydrophobicContact CE1-CG2 3.7Å; Y68-V80 HydrophobicContact CE2-CB 4.41Å; Y68-V80 HydrophobicContact CE2-CG1 4.31Å; Y68-V80 HydrophobicContact CE2-CG2 4.43Å; Y68-V80 HydrophobicContact CG-CG2 3.89Å; L75-V80 HydrophobicContact CB-CB 4.19Å; L75-V80 HydrophobicContact CD1-CB 4.37Å; L75-V80 HydrophobicContact CD1-CG2 4.37Å; E76-V80 PolarHBondContact O-N 2.83Å; D77-V80 WeakPolarHBondContact O-CG1 3.31Å; V80-L82 VanDerWaalsContact C-N 3.35Å; V80-L82 PolarHBondContact O-N 3.21Å; V80-L83 PolarHBondContact O-N 2.82Å; V80-F84 HydrophobicContact CG2-CD2 3.95Å; V80-F84 HydrophobicContact CG2-CE2 3.78Å; V80-F84 VanDerWaalsContact O-CD2 3.25Å; V80-F84 WeakPolarHBondContact O-CD2 3.42Å; V80-F84 PolarHBondContact O-N 2.92Å
81H98.7Very high98Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-58.6-47.2175176.875.5000111.7D77 H78 T79 L83 F84 S85 T118 W128 C129D77-H81 VanDerWaalsContact O-CB 3.31Å; D77-H81 WeakPolarHBondContact O-CB 3.47Å; D77-H81 PolarHBondContact O-N 2.8Å; D77-H81 VanDerWaalsContact O-N 3.1Å; H78-H81 PolarHBondContact O-N 3Å; T79-H81 VanDerWaalsContact C-N 3.33Å; T79-H81 PolarHBondContact O-N 2.84Å; H81-L83 PolarHBondContact O-N 2.66Å; H81-F84 WeakPolarHBondContact O-CB 3.4Å; H81-F84 PolarHBondContact O-N 3.47Å; H81-S85 PolarHBondContact O-N 3.42Å; H81-S85 VanDerWaalsContact O-N 3.15Å; H81-T118 HydrophobicContact CB-CG2 3.84Å; H81-T118 VanDerWaalsContact ND1-CB 3.33Å; H81-T118 WeakPolarHBondContact ND1-CB 3.31Å; H81-T118 PolarHBondContact ND1-OG1 3.09Å; H81-W128 HydrophobicContact CB-CH2 4.17Å; H81-W128 HydrophobicContact CB-CZ3 4.14Å; H81-W128 AromaticContact CD2-CH2 3.41Å; H81-W128 VanDerWaalsContact CD2-CH2 3.41Å; H81-W128 WeakPolarHBondContact CD2-CH2 3.22Å; H81-W128 AromaticContact CD2-CZ3 3.2Å; H81-W128 WeakPolarHBondContact CD2-CZ3 3.45Å; H81-W128 AromaticContact CG-CH2 3.98Å; H81-W128 AromaticContact CG-CZ3 3.64Å; H81-W128 AromaticContact NE2-CZ3 3.74Å; H81-C129 PolarHBondContact CE1-O 3.38Å; H81-C129 PolarHBondContact NE2-O 3.45Å
82L98.9Very high98.1Very high88 Ų8850.8 Ų50.846%0.46126%0.257SS..Hα-helixtrans-66.3-36.2177.9-66.3175.6000112H78 T79 V80 S85 A86 P132H78-L82 WeakPolarHBondContact O-CG 3.42Å; H78-L82 PolarHBondContact O-N 2.89Å; T79-L82 PolarHBondContact O-N 2.94Å; V80-L82 VanDerWaalsContact C-N 3.35Å; V80-L82 PolarHBondContact O-N 3.21Å; L82-S85 PolarHBondContact O-N 2.96Å; L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 3.27Å; L82-P132 HydrophobicContact CD2-CB 4.15Å; L82-P132 HydrophobicContact CD2-CG 3.69Å
83L98.8Very high98.3Very high33 Ų3347.4 Ų47.417%0.17325%0.252CS..Hα-helixtrans-62.4-42.8173.3-69.4175.9000111.9I61 L64 I65 L75 T79 V80 H81 S85 A86 N87I61-L83 HydrophobicContact CG2-CB 4.12Å; I61-L83 HydrophobicContact CG2-CD2 4.13Å; I61-L83 VanDerWaalsContact CG2-O 3.31Å; I61-L83 WeakPolarHBondContact CG2-O 3.49Å; L64-L83 HydrophobicContact CB-CD1 4.34Å; L64-L83 HydrophobicContact CD1-CD1 4.46Å; I65-L83 HydrophobicContact CD1-CB 4.32Å; I65-L83 HydrophobicContact CG1-CB 4.1Å; L75-L83 HydrophobicContact CD1-CD1 3.8Å; T79-L83 HydrophobicContact CG2-CD1 4.4Å; T79-L83 WeakPolarHBondContact O-CG 3.38Å; T79-L83 PolarHBondContact O-N 2.96Å; V80-L83 PolarHBondContact O-N 2.82Å; H81-L83 PolarHBondContact O-N 2.66Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 2.98Å; L83-A86 PolarHBondContact O-N 3.44Å; L83-N87 WeakPolarHBondContact O-CB 3.33Å; L83-N87 PolarHBondContact O-N 3.32Å
84F98.8Very high98.4Very high27 Ų2748.7 Ų48.712%0.11826%0.258CS..Hα-helixtrans-59-40.3174.4-88-72.9000112.3P55 I65 L69 V80 H81 R88P55-F84 HydrophobicContact CB-CD1 4.15Å; P55-F84 HydrophobicContact CB-CE1 3.94Å; P55-F84 HydrophobicContact CG-CD1 4.48Å; P55-F84 HydrophobicContact CG-CE1 3.79Å; I65-F84 HydrophobicContact CD1-CD1 3.99Å; I65-F84 HydrophobicContact CD1-CE1 4.4Å; I65-F84 HydrophobicContact CD1-CG 4.17Å; I65-F84 HydrophobicContact CG2-CD1 4.05Å; I65-F84 HydrophobicContact CG2-CE1 3.37Å; I65-F84 HydrophobicContact CG2-CE2 3.89Å; I65-F84 HydrophobicContact CG2-CZ 3.27Å; L69-F84 HydrophobicContact CD1-CZ 4.17Å; L69-F84 HydrophobicContact CD2-CZ 4.2Å; L69-F84 HydrophobicContact CG-CZ 4.32Å; V80-F84 HydrophobicContact CG2-CD2 3.95Å; V80-F84 HydrophobicContact CG2-CE2 3.78Å; V80-F84 VanDerWaalsContact O-CD2 3.25Å; V80-F84 WeakPolarHBondContact O-CD2 3.42Å; V80-F84 PolarHBondContact O-N 2.92Å; H81-F84 WeakPolarHBondContact O-CB 3.4Å; H81-F84 PolarHBondContact O-N 3.47Å; F84-R88 VanDerWaalsContact O-CZ 3.26Å; F84-R88 PolarHBondContact O-N 3.16Å; F84-R88 PolarHBondContact O-NH1 3.45Å
85S98.9Very high98.5Very high4 Ų442.5 Ų42.53%0.02823%0.225CC..Hα-helixtrans-69.1-45.9175.7-175.50000112H81 L82 L83 N87 R88 W89 P132 D133H81-S85 PolarHBondContact O-N 3.42Å; H81-S85 VanDerWaalsContact O-N 3.15Å; L82-S85 PolarHBondContact O-N 2.96Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 2.98Å; S85-N87 VanDerWaalsContact C-N 3.25Å; S85-N87 PolarHBondContact O-N 3.36Å; S85-R88 VanDerWaalsContact CA-NH2 3.31Å; S85-R88 WeakPolarHBondContact O-CA 3.41Å; S85-R88 WeakPolarHBondContact O-CB 3.19Å; S85-R88 PolarHBondContact O-N 2.71Å; S85-W89 VanDerWaalsContact O-CD1 3.29Å; S85-W89 PolarHBondContact O-N 3.42Å; S85-P132 VanDerWaalsContact OG-C 3.28Å; S85-P132 VanDerWaalsContact OG-CB 3.24Å; S85-P132 WeakPolarHBondContact OG-CB 3.26Å; S85-P132 PolarHBondContact OG-O 2.94Å; S85-P132 VanDerWaalsContact OG-O 3.11Å; S85-D133 WeakPolarHBondContact CB-OD1 3.49Å; S85-D133 PolarHBondContact OG-OD1 3.36Å
86A98.9Very high98.6Very high36 Ų3644 Ų4430%0.29823%0.229SC..Hα-helixtrans-57.6-38.5176.500000112.3I61 L82 L83 R88 W89 E90I61-A86 HydrophobicContact CD1-CB 3.92Å; L82-A86 WeakPolarHBondContact O-CB 3.33Å; L82-A86 PolarHBondContact O-N 3.27Å; L83-A86 PolarHBondContact O-N 3.44Å; A86-R88 VanDerWaalsContact C-N 3.26Å; A86-R88 PolarHBondContact O-N 3.04Å; A86-W89 PolarHBondContact O-N 3.09Å; A86-W89 VanDerWaalsContact O-N 3.16Å; A86-E90 PolarHBondContact O-N 2.85Å
87N98.8Very high98.6Very high0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-63.5-27.7175-176.3-116.8000113.6F54 P55 D56 T59 I61 I65 L83 S85 E90F54-N87 WeakPolarHBondContact CE1-O 3.48Å; P55-N87 WeakPolarHBondContact CA-OD1 3.25Å; P55-N87 WeakPolarHBondContact CB-OD1 3.49Å; D56-N87 PolarHBondContact N-OD1 2.85Å; D56-N87 PolarHBondContact O-ND2 3.06Å; D56-N87 VanDerWaalsContact O-ND2 3.09Å; T59-N87 PolarHBondContact OG1-ND2 3.07Å; I61-N87 HydrophobicContact CG2-CB 3.8Å; I65-N87 HydrophobicContact CD1-CB 3.83Å; L83-N87 WeakPolarHBondContact O-CB 3.33Å; L83-N87 PolarHBondContact O-N 3.32Å; S85-N87 VanDerWaalsContact C-N 3.25Å; S85-N87 PolarHBondContact O-N 3.36Å; N87-E90 PolarHBondContact ND2-OE1 2.98Å; N87-E90 VanDerWaalsContact O-CG 3.31Å; N87-E90 WeakPolarHBondContact O-CG 3.44Å
88R98.9Very high98.7Very high4 Ų445 Ų452%0.01523%0.23CC..Hα-helixtrans-75.5-46.9169.6-71.9-179.6-72.9-80.26.2111.1F54 F84 S85 A86 E90 L91 V92 Y110 D133 L136F54-R88 HydrophobicContact CB-CG 4.44Å; F54-R88 HydrophobicContact CD1-CB 4.46Å; F54-R88 HydrophobicContact CD1-CG 3.68Å; F54-R88 HydrophobicContact CD2-CG 4.25Å; F54-R88 HydrophobicContact CE1-CB 4.27Å; F54-R88 HydrophobicContact CE1-CG 3.94Å; F54-R88 HydrophobicContact CE2-CG 4.45Å; F54-R88 HydrophobicContact CG-CG 3.85Å; F54-R88 HydrophobicContact CZ-CG 4.29Å; F84-R88 VanDerWaalsContact O-CZ 3.26Å; F84-R88 PolarHBondContact O-N 3.16Å; F84-R88 PolarHBondContact O-NH1 3.45Å; S85-R88 VanDerWaalsContact CA-NH2 3.31Å; S85-R88 WeakPolarHBondContact O-CA 3.41Å; S85-R88 WeakPolarHBondContact O-CB 3.19Å; S85-R88 PolarHBondContact O-N 2.71Å; A86-R88 VanDerWaalsContact C-N 3.26Å; A86-R88 PolarHBondContact O-N 3.04Å; R88-E90 VanDerWaalsContact C-N 3.34Å; R88-E90 PolarHBondContact O-N 3.37Å; R88-L91 PolarHBondContact O-N 2.85Å; R88-L91 VanDerWaalsContact O-N 3.15Å; R88-V92 PolarHBondContact O-N 3.21Å; R88-Y110 HydrophobicContact CG-CE2 4.46Å; R88-D133 IonicContact CZ-OD1 3.39Å; R88-D133 IonicContact CZ-OD2 2.65Å; R88-D133 IonicContact NE-OD1 3.27Å; R88-D133 PolarHBondContact NE-OD1 2.92Å; R88-D133 IonicContact NE-OD2 3.26Å; R88-D133 PolarHBondContact NE-OD2 3.26Å; R88-D133 IonicContact NH2-OD1 2.76Å; R88-D133 PolarHBondContact NH2-OD1 2.63Å; R88-D133 IonicContact NH2-OD2 2.84Å; R88-D133 PolarHBondContact NH2-OD2 3.04Å; R88-L136 HydrophobicContact CB-CD1 4.03Å; R88-L136 HydrophobicContact CB-CD2 4.3Å
89W98.9Very high98.6Very high95 Ų9541.2 Ų41.236%0.3621%0.212SC..Hα-helixtrans-59.9-39.5-178.3-81.8109.8000113.6S85 A86 L91 V92 P132 V134 G135 L136S85-W89 VanDerWaalsContact O-CD1 3.29Å; S85-W89 PolarHBondContact O-N 3.42Å; A86-W89 PolarHBondContact O-N 3.09Å; A86-W89 VanDerWaalsContact O-N 3.16Å; W89-L91 PolarHBondContact O-N 3.14Å; W89-V92 HydrophobicContact CD2-CG2 4.45Å; W89-V92 HydrophobicContact CE3-CB 4.36Å; W89-V92 HydrophobicContact CE3-CG2 3.79Å; W89-V92 HydrophobicContact CZ3-CG2 4.27Å; W89-V92 WeakPolarHBondContact O-CB 3.48Å; W89-V92 PolarHBondContact O-N 3.12Å; W89-V92 VanDerWaalsContact O-N 3.1Å; W89-P132 PolarHBondContact NE1-O 3.46Å; W89-V134 WeakPolarHBondContact CZ2-O 3.31Å; W89-G135 VanDerWaalsContact CH2-C 3.41Å; W89-L136 HydrophobicContact CD2-CD2 3.52Å; W89-L136 HydrophobicContact CD2-CG 4.38Å; W89-L136 HydrophobicContact CE3-CD2 3.8Å; W89-L136 HydrophobicContact CG-CD2 4Å; W89-L136 HydrophobicContact CH2-CD2 4.15Å; W89-L136 HydrophobicContact CH2-CG 4.41Å; W89-L136 HydrophobicContact CZ2-CD2 3.88Å; W89-L136 HydrophobicContact CZ2-CG 3.91Å; W89-L136 HydrophobicContact CZ3-CD2 4.1Å
90E98.7Very high98.6Very high68 Ų6844.1 Ų44.132%0.31822%0.221SC..THydrogen-bonded Turntrans-61.6-25.3178.667.1-177.2174.600113T59 A86 N87 R88T59-E90 VanDerWaalsContact CB-OE1 3.23Å; T59-E90 WeakPolarHBondContact CB-OE1 3.23Å; T59-E90 VanDerWaalsContact CG2-OE1 3.26Å; T59-E90 WeakPolarHBondContact CG2-OE1 3.25Å; T59-E90 PolarHBondContact OG1-OE1 3.2Å; A86-E90 PolarHBondContact O-N 2.85Å; N87-E90 PolarHBondContact ND2-OE1 2.98Å; N87-E90 VanDerWaalsContact O-CG 3.31Å; N87-E90 WeakPolarHBondContact O-CG 3.44Å; R88-E90 VanDerWaalsContact C-N 3.34Å; R88-E90 PolarHBondContact O-N 3.37Å
91L98.5Very high98.5Very high25 Ų2549.5 Ų49.513%0.13125%0.246CC..THydrogen-bonded Turntrans-93.3-8177.8-61.5-157.2000114.2F54 D56 R88 W89 P93 V94 M95F54-L91 HydrophobicContact CE1-CB 4.22Å; F54-L91 HydrophobicContact CE1-CD1 3.79Å; F54-L91 HydrophobicContact CE1-CG 4.09Å; F54-L91 HydrophobicContact CZ-CB 4.12Å; F54-L91 HydrophobicContact CZ-CD1 4Å; F54-L91 HydrophobicContact CZ-CG 4.4Å; D56-L91 HydrophobicContact CB-CD1 3.95Å; D56-L91 WeakPolarHBondContact OD2-CD1 3.29Å; R88-L91 PolarHBondContact O-N 2.85Å; R88-L91 VanDerWaalsContact O-N 3.15Å; W89-L91 PolarHBondContact O-N 3.14Å; L91-P93 VanDerWaalsContact C-CD 3.5Å; L91-V94 PolarHBondContact O-N 3.06Å; L91-V94 VanDerWaalsContact O-N 3.08Å; L91-M95 WeakPolarHBondContact O-CG 3.47Å; L91-M95 PolarHBondContact O-N 3.34Å
92V98.7Very high98.4Very high10 Ų1050.4 Ų50.46%0.06126%0.256CS..Hα-helixtrans-54.7-43.7-178.7170.50000113.3R88 W89 V94 M95 K96 L136 P137R88-V92 PolarHBondContact O-N 3.21Å; W89-V92 HydrophobicContact CD2-CG2 4.45Å; W89-V92 HydrophobicContact CE3-CB 4.36Å; W89-V92 HydrophobicContact CE3-CG2 3.79Å; W89-V92 HydrophobicContact CZ3-CG2 4.27Å; W89-V92 WeakPolarHBondContact O-CB 3.48Å; W89-V92 PolarHBondContact O-N 3.12Å; W89-V92 VanDerWaalsContact O-N 3.1Å; V92-V94 VanDerWaalsContact C-N 3.3Å; V92-V94 PolarHBondContact O-N 2.89Å; V92-M95 PolarHBondContact O-N 3.26Å; V92-K96 HydrophobicContact CG1-CD 3.98Å; V92-K96 HydrophobicContact CG1-CG 4.19Å; V92-K96 WeakPolarHBondContact O-CG 3.46Å; V92-K96 PolarHBondContact O-N 3.35Å; V92-L136 HydrophobicContact CG2-CD2 3.45Å; V92-L136 VanDerWaalsContact CG2-CD2 3.45Å; V92-P137 HydrophobicContact CG1-CG 3.94Å; V92-P137 HydrophobicContact CG2-CG 4.23Å
93P98.6Very high98.4Very high88 Ų8847.6 Ų47.657%0.57124%0.241SC*.Hα-helixtrans-59.1-41.2177.6-25.335.7000112.7L91 K97L91-P93 VanDerWaalsContact C-CD 3.5Å; P93-K97 WeakPolarHBondContact O-CB 3.5Å; P93-K97 PolarHBondContact O-N 3.16Å; P93-K97 VanDerWaalsContact O-N 3.13Å
94V98.5Very high98.4Very high67 Ų6746.2 Ų46.241%0.40623%0.234SC..Hα-helixtrans-68.5-42.7177.5177.70000110.6M52 L91 V92 K97 K98M52-V94 HydrophobicContact CE-CG1 4.01Å; L91-V94 PolarHBondContact O-N 3.06Å; L91-V94 VanDerWaalsContact O-N 3.08Å; V92-V94 VanDerWaalsContact C-N 3.3Å; V92-V94 PolarHBondContact O-N 2.89Å; V94-K97 PolarHBondContact O-N 3.27Å; V94-K98 HydrophobicContact CG1-CD 4.26Å; V94-K98 WeakPolarHBondContact O-CG 3.47Å; V94-K98 PolarHBondContact O-N 3.1Å
95M98.6Very high98.4Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-59.3-51.8177.8-68.8178.772.400111.4L20 M52 F54 L91 V92 K97 K98 L99 L105 Y110L20-M95 HydrophobicContact CD1-CE 3.59Å; L20-M95 HydrophobicContact CD2-CE 4.01Å; L20-M95 HydrophobicContact CG-CE 4.49Å; M52-M95 HydrophobicContact CE-CG 4.14Å; M52-M95 HydrophobicContact SD-CG 3.71Å; F54-M95 HydrophobicContact CE2-SD 4.33Å; F54-M95 HydrophobicContact CZ-SD 4.1Å; L91-M95 WeakPolarHBondContact O-CG 3.47Å; L91-M95 PolarHBondContact O-N 3.34Å; V92-M95 PolarHBondContact O-N 3.26Å; M95-K97 PolarHBondContact O-N 2.96Å; M95-K98 PolarHBondContact O-N 3.11Å; M95-L99 VanDerWaalsContact O-CG 3.27Å; M95-L99 WeakPolarHBondContact O-CG 3.29Å; M95-L99 PolarHBondContact O-N 2.75Å; M95-L105 HydrophobicContact CB-CD1 3.86Å; M95-L105 HydrophobicContact CE-CD1 4.36Å; M95-L105 HydrophobicContact CG-CD1 4.01Å; M95-Y110 HydrophobicContact CE-CE2 3.8Å; M95-Y110 HydrophobicContact SD-CE2 4.15Å
96K98.5Very high98.4Very high82 Ų8244.8 Ų44.836%0.35723%0.227SC..Hα-helixtrans-58.4-47.6179.7-73.3-175.9174.2-176.50111.4V92 K98 L99 E100 P137 L219V92-K96 HydrophobicContact CG1-CD 3.98Å; V92-K96 HydrophobicContact CG1-CG 4.19Å; V92-K96 WeakPolarHBondContact O-CG 3.46Å; V92-K96 PolarHBondContact O-N 3.35Å; K96-K98 PolarHBondContact O-N 2.68Å; K96-L99 PolarHBondContact O-N 3.02Å; K96-E100 WeakPolarHBondContact O-CB 3.41Å; K96-E100 VanDerWaalsContact O-CG 3.28Å; K96-E100 WeakPolarHBondContact O-CG 3.36Å; K96-E100 PolarHBondContact O-N 2.9Å; K96-P137 HydrophobicContact CG-CG 4.33Å; K96-L219 HydrophobicContact CG-CD2 4.12Å
97K98.4Very high98.4Very high128 Ų12843 Ų4356%0.55721%0.213SC*.Hα-helixtrans-56.6-46.5177.3-175.7-179.1179.3-179.30112.4P93 V94 M95 E100 Q101P93-K97 WeakPolarHBondContact O-CB 3.5Å; P93-K97 PolarHBondContact O-N 3.16Å; P93-K97 VanDerWaalsContact O-N 3.13Å; V94-K97 PolarHBondContact O-N 3.27Å; M95-K97 PolarHBondContact O-N 2.96Å; K97-E100 PolarHBondContact O-N 3.41Å; K97-Q101 WeakPolarHBondContact O-CG 3.24Å; K97-Q101 PolarHBondContact O-N 3.24Å; K97-Q101 VanDerWaalsContact O-N 3.1Å
98K98.4Very high98.4Very high42 Ų4243.1 Ų43.118%0.18321%0.213CC..Hα-helixtrans-65.3-43.7179.5-73.3-173.5-179.8-163.70112.1E50 V94 M95 K96 Q101 G102 I103 L105E50-K98 IonicContact OE1-NZ 3.05Å; E50-K98 PolarHBondContact OE1-NZ 3.15Å; E50-K98 IonicContact OE2-NZ 2.65Å; E50-K98 PolarHBondContact OE2-NZ 3.4Å; V94-K98 HydrophobicContact CG1-CD 4.26Å; V94-K98 WeakPolarHBondContact O-CG 3.47Å; V94-K98 PolarHBondContact O-N 3.1Å; M95-K98 PolarHBondContact O-N 3.11Å; K96-K98 PolarHBondContact O-N 2.68Å; K98-Q101 WeakPolarHBondContact O-CB 3.24Å; K98-Q101 PolarHBondContact O-N 3.32Å; K98-G102 PolarHBondContact O-N 3.41Å; K98-I103 HydrophobicContact CB-CB 4.26Å; K98-I103 HydrophobicContact CB-CD1 4.48Å; K98-I103 HydrophobicContact CG-CD1 4.44Å; K98-I103 VanDerWaalsContact O-CB 3.31Å; K98-I103 WeakPolarHBondContact O-CB 3.24Å; K98-I103 PolarHBondContact O-N 3.18Å; K98-L105 HydrophobicContact CB-CD1 4.41Å; K98-L105 HydrophobicContact CB-CD2 4Å; K98-L105 HydrophobicContact CB-CG 4.45Å; K98-L105 HydrophobicContact CD-CD2 3.84Å
99L98.3Very high98.3Very high1 Ų144.3 Ų44.31%0.00522%0.218CC..Hα-helixtrans-61.6-46.3177.2-67166000110.7R17 G18 A19 L20 M95 K96 Q101 G102 L105 L219R17-L99 CarbonylContact C-O 3.59Å; R17-L99 WeakPolarHBondContact CA-O 3.35Å; R17-L99 VanDerWaalsContact CB-O 3.26Å; R17-L99 WeakPolarHBondContact CB-O 3.4Å; G18-L99 PolarHBondContact N-O 3.08Å; G18-L99 WeakPolarHBondContact O-CD2 3.26Å; A19-L99 WeakPolarHBondContact O-CD2 3.49Å; L20-L99 HydrophobicContact CB-CD1 4.2Å; L20-L99 HydrophobicContact CB-CD2 4.14Å; M95-L99 VanDerWaalsContact O-CG 3.27Å; M95-L99 WeakPolarHBondContact O-CG 3.29Å; M95-L99 PolarHBondContact O-N 2.75Å; K96-L99 PolarHBondContact O-N 3.02Å; L99-Q101 PolarHBondContact O-N 2.67Å; L99-G102 PolarHBondContact O-N 3.41Å; L99-L105 HydrophobicContact CD1-CD1 4.18Å; L99-L105 HydrophobicContact CD2-CB 4.3Å; L99-L105 HydrophobicContact CD2-CD1 4.09Å; L99-L105 HydrophobicContact CD2-CG 3.95Å; L99-L105 HydrophobicContact CG-CD1 3.82Å; L99-L105 HydrophobicContact CG-CG 4.17Å; L99-L219 HydrophobicContact CD1-CD1 4.07Å; L99-L219 HydrophobicContact CD1-CD2 3.83Å
100E97.1Very high98.3Very high128 Ų12839.8 Ų39.860%0.59820%0.201SC*.Hα-helixtrans-60-31.5176.4-72.9165.2-171.500113K96 K97 G102K96-E100 WeakPolarHBondContact O-CB 3.41Å; K96-E100 VanDerWaalsContact O-CG 3.28Å; K96-E100 WeakPolarHBondContact O-CG 3.36Å; K96-E100 PolarHBondContact O-N 2.9Å; K97-E100 PolarHBondContact O-N 3.41Å; E100-G102 PolarHBondContact O-N 3.21Å
101Q96.8Very high98.3Very high113 Ų11336.6 Ų36.653%0.52819%0.185SC..THydrogen-bonded Turntrans-75.81.7174.7-71.5172.4-23.200114.1K97 K98 L99 I103K97-Q101 WeakPolarHBondContact O-CG 3.24Å; K97-Q101 PolarHBondContact O-N 3.24Å; K97-Q101 VanDerWaalsContact O-N 3.1Å; K98-Q101 WeakPolarHBondContact O-CB 3.24Å; K98-Q101 PolarHBondContact O-N 3.32Å; L99-Q101 PolarHBondContact O-N 2.67Å; Q101-I103 VanDerWaalsContact C-N 3.35Å; Q101-I103 HydrophobicContact CB-CD1 4.33Å; Q101-I103 HydrophobicContact CB-CG1 4.28Å
102G97.1Very high98.3Very high20 Ų2035.4 Ų35.421%0.20618%0.179CC..THydrogen-bonded Turntrans84.56.3-177.800000114.3K16 K98 L99 E100K16-G102 VanDerWaalsContact O-CA 3.31Å; K16-G102 WeakPolarHBondContact O-CA 3.41Å; K98-G102 PolarHBondContact O-N 3.41Å; L99-G102 PolarHBondContact O-N 3.41Å; E100-G102 PolarHBondContact O-N 3.21Å
103I98.4Very high98.3Very high28 Ų2835.4 Ų35.414%0.14418%0.18CC..PPolyproline II helixtrans-85.4119.4-179.1-53.6173.3000109.2P48 E50 K98 Q101P48-I103 HydrophobicContact CB-CB 4.5Å; P48-I103 HydrophobicContact CB-CG1 4.15Å; E50-I103 HydrophobicContact CB-CG2 4.17Å; E50-I103 HydrophobicContact CG-CG2 3.8Å; K98-I103 HydrophobicContact CB-CB 4.26Å; K98-I103 HydrophobicContact CB-CD1 4.48Å; K98-I103 HydrophobicContact CG-CD1 4.44Å; K98-I103 VanDerWaalsContact O-CB 3.31Å; K98-I103 WeakPolarHBondContact O-CB 3.24Å; K98-I103 PolarHBondContact O-N 3.18Å; Q101-I103 VanDerWaalsContact C-N 3.35Å; Q101-I103 HydrophobicContact CB-CD1 4.33Å; Q101-I103 HydrophobicContact CB-CG1 4.28Å
104T98.7Very high98.3Very high5 Ų531.5 Ų31.53%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-72.1130.4173.8-67.50000110.1A19 I21 L42 P48 A49 E50 V106 I211A19-T104 HydrophobicContact CB-CG2 4.25Å; A19-T104 PolarHBondContact N-OG1 3.27Å; A19-T104 CarbonylContact O-C 3.46Å; A19-T104 WeakPolarHBondContact O-CA 3.48Å; A19-T104 WeakPolarHBondContact O-CG2 3.21Å; I21-T104 HydrophobicContact CD1-CG2 3.91Å; I21-T104 HydrophobicContact CG1-CG2 4.36Å; L42-T104 HydrophobicContact CD1-CG2 4.22Å; P48-T104 PolarHBondContact O-N 2.98Å; A49-T104 CarbonylContact C-O 3.59Å; A49-T104 WeakPolarHBondContact CA-O 3.48Å; E50-T104 PolarHBondContact N-O 2.9Å; T104-V106 HydrophobicContact CG2-CG2 4.42Å; T104-I211 HydrophobicContact CG2-CD1 4.09Å; T104-I211 HydrophobicContact CG2-CG1 4.22Å
105L98.9Very high98.3Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-100.2120.3175.8-62.4-179.1000109.8A19 L20 I21 E50 M52 M95 K98 L99 V107A19-L105 PolarHBondContact O-N 2.96Å; L20-L105 HydrophobicContact CD1-CB 3.93Å; L20-L105 HydrophobicContact CD1-CD1 4.49Å; I21-L105 PolarHBondContact N-O 3.19Å; E50-L105 HydrophobicContact CB-CD2 4.22Å; M52-L105 HydrophobicContact SD-CD1 4.04Å; M52-L105 HydrophobicContact SD-CD2 4.23Å; M95-L105 HydrophobicContact CB-CD1 3.86Å; M95-L105 HydrophobicContact CE-CD1 4.36Å; M95-L105 HydrophobicContact CG-CD1 4.01Å; K98-L105 HydrophobicContact CB-CD1 4.41Å; K98-L105 HydrophobicContact CB-CD2 4Å; K98-L105 HydrophobicContact CB-CG 4.45Å; K98-L105 HydrophobicContact CD-CD2 3.84Å; L99-L105 HydrophobicContact CD1-CD1 4.18Å; L99-L105 HydrophobicContact CD2-CB 4.3Å; L99-L105 HydrophobicContact CD2-CD1 4.09Å; L99-L105 HydrophobicContact CD2-CG 3.95Å; L99-L105 HydrophobicContact CG-CD1 3.82Å; L99-L105 HydrophobicContact CG-CG 4.17Å; L105-V107 HydrophobicContact CB-CG2 4.22Å
106V98.9Very high98.2Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-103112.2172.3-178.70000108.3I21 L23 C35 L38 V39 L42 E50 M51 M52 T104I21-V106 CarbonylContact O-C 3.53Å; I21-V106 WeakPolarHBondContact O-CA 2.9Å; L23-V106 HydrophobicContact CD1-CG1 3.97Å; C35-V106 HydrophobicContact CB-CG1 3.89Å; L38-V106 HydrophobicContact CB-CG1 4.48Å; L38-V106 HydrophobicContact CD2-CB 4.48Å; L38-V106 HydrophobicContact CD2-CG1 3.83Å; L38-V106 HydrophobicContact CD2-CG2 3.76Å; L38-V106 HydrophobicContact CG-CG1 4.48Å; L38-V106 HydrophobicContact CG-CG2 4.06Å; V39-V106 HydrophobicContact CG2-CB 3.64Å; V39-V106 HydrophobicContact CG2-CG1 4.32Å; V39-V106 HydrophobicContact CG2-CG2 3.67Å; L42-V106 HydrophobicContact CD1-CG2 4.3Å; E50-V106 PolarHBondContact O-N 3.49Å; M51-V106 CarbonylContact C-O 3.52Å; M51-V106 VanDerWaalsContact CA-O 3.31Å; M51-V106 WeakPolarHBondContact CA-O 3.43Å; M52-V106 PolarHBondContact N-O 2.94Å; T104-V106 HydrophobicContact CG2-CG2 4.42Å
107V98.8Very high98.2Very high0 Ų025.6 Ų25.60%012%0.124CC..EExtended strand (participates in β ladder)trans-113.4121.3-166.9-1670000111.1L20 I21 V22 L23 M52 F54 L105 R109 Y110L20-V107 HydrophobicContact CD1-CG2 3.57Å; I21-V107 PolarHBondContact O-N 2.92Å; V22-V107 WeakPolarHBondContact CA-O 3.26Å; V22-V107 HydrophobicContact CG2-CB 4.19Å; L23-V107 PolarHBondContact N-O 3.39Å; M52-V107 HydrophobicContact CB-CG1 4.25Å; M52-V107 HydrophobicContact CB-CG2 4.28Å; M52-V107 CarbonylContact O-C 3.57Å; M52-V107 WeakPolarHBondContact O-CA 3.45Å; F54-V107 HydrophobicContact CD2-CG1 3.62Å; F54-V107 HydrophobicContact CE2-CG1 3.74Å; L105-V107 HydrophobicContact CB-CG2 4.22Å; V107-R109 VanDerWaalsContact CG1-O 3.32Å; V107-R109 WeakPolarHBondContact CG1-O 3.27Å; V107-R109 PolarHBondContact O-N 2.68Å; V107-Y110 HydrophobicContact CG1-CD2 4.19Å
108D98.4Very high98.1Very high1 Ų119.7 Ų19.71%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-84.3105.8172.1-173.8-5.3000109.7K31 T32 M51 M52 R53 F54K31-D108 WeakPolarHBondContact CB-OD1 3.41Å; T32-D108 WeakPolarHBondContact CA-OD2 3.05Å; T32-D108 VanDerWaalsContact CB-OD2 3.29Å; T32-D108 WeakPolarHBondContact CB-OD2 3.47Å; T32-D108 PolarHBondContact N-OD2 3.46Å; T32-D108 PolarHBondContact OG1-OD2 3.43Å; M51-D108 HydrophobicContact CE-CB 3.91Å; M52-D108 PolarHBondContact O-N 2.86Å; R53-D108 WeakPolarHBondContact CA-O 3.36Å; R53-D108 HydrophobicContact CB-CB 4.1Å; R53-D108 HydrophobicContact CG-CB 4Å; F54-D108 PolarHBondContact N-O 3.47Å
109R98.3Very high98.1Very high29 Ų2917.8 Ų17.811%0.1099%0.091CC..SBendtrans65.3147.9-170.4-52.9-177.9-178.6-81.85.3114.9L23 G25 D27 K31 F54 V107 S113L23-R109 PolarHBondContact O-N 3.28Å; G25-R109 PolarHBondContact O-NH1 3.48Å; D27-R109 IonicContact OD1-CZ 2.9Å; D27-R109 IonicContact OD1-NH2 2.58Å; D27-R109 PolarHBondContact OD1-NH2 2.93Å; K31-R109 HydrophobicContact CD-CG 4.43Å; F54-R109 WeakPolarHBondContact CD2-O 3.4Å; V107-R109 VanDerWaalsContact CG1-O 3.32Å; V107-R109 WeakPolarHBondContact CG1-O 3.27Å; V107-R109 PolarHBondContact O-N 2.68Å; R109-S113 WeakPolarHBondContact CG-OG 3.38Å; R109-S113 PolarHBondContact NH1-OG 3.47Å
110Y98.8Very high98Very high1 Ų118.6 Ų18.60%0.00410%0.098CC..  trans-147.1-148.2176.6-157.2-125.1000111.4V22 E24 F54 R88 M95 V107 F112 S113 G114 L136 P137 P139 L222V22-Y110 HydrophobicContact CG2-CD1 4.29Å; V22-Y110 HydrophobicContact CG2-CG 4.11Å; E24-Y110 PolarHBondContact OE1-N 3.35Å; F54-Y110 AromaticContact CD2-CD2 3.66Å; F54-Y110 HydrophobicContact CD2-CD2 3.66Å; F54-Y110 HydrophobicContact CD2-CE2 4.14Å; F54-Y110 AromaticContact CE2-CD2 3.63Å; F54-Y110 HydrophobicContact CE2-CD2 3.63Å; F54-Y110 AromaticContact CE2-CE2 3.64Å; F54-Y110 HydrophobicContact CE2-CE2 3.64Å; F54-Y110 HydrophobicContact CZ-CE2 4.32Å; R88-Y110 HydrophobicContact CG-CE2 4.46Å; M95-Y110 HydrophobicContact CE-CE2 3.8Å; M95-Y110 HydrophobicContact SD-CE2 4.15Å; V107-Y110 HydrophobicContact CG1-CD2 4.19Å; Y110-F112 PolarHBondContact O-N 3.41Å; Y110-S113 PolarHBondContact O-N 3.03Å; Y110-G114 PolarHBondContact O-N 3.35Å; Y110-L136 HydrophobicContact CE1-CB 4.27Å; Y110-L136 HydrophobicContact CE1-CD1 4.13Å; Y110-P137 WeakPolarHBondContact CE1-O 3.37Å; Y110-P137 PolarHBondContact OH-O 2.87Å; Y110-P139 HydrophobicContact CD1-CG 4.04Å; Y110-P139 HydrophobicContact CE1-CG 4.27Å; Y110-L222 HydrophobicContact CE1-CD2 4.46Å
111A98.7Very high98Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-54.5-35.1177.700000113.1S113 G114 V115 D133 L136 L222 W223A111-S113 PolarHBondContact O-N 3.43Å; A111-G114 WeakPolarHBondContact O-CA 3.26Å; A111-G114 PolarHBondContact O-N 3.03Å; A111-V115 WeakPolarHBondContact O-CG2 3.4Å; A111-V115 PolarHBondContact O-N 3.24Å; A111-D133 HydrophobicContact CB-CB 3.79Å; A111-D133 WeakPolarHBondContact CB-OD2 3.31Å; A111-L136 HydrophobicContact CB-CD1 4.14Å; A111-L222 HydrophobicContact CB-CD2 3.62Å; A111-W223 HydrophobicContact CB-CH2 3.95Å; A111-W223 HydrophobicContact CB-CZ3 4.11Å
112F98.6Very high97.8Very high1 Ų114 Ų140%0.0049%0.087CC..Hα-helixtrans-63.9-43.5-177.4-44-73.7000112.3V22 E24 Y110 G114 V115 A116 P139 V142 F176 L179 V185 W187 L222 W223V22-F112 HydrophobicContact CG1-CD2 4.38Å; V22-F112 HydrophobicContact CG1-CE2 4.47Å; E24-F112 HydrophobicContact CG-CB 3.98Å; E24-F112 HydrophobicContact CG-CD2 3.89Å; E24-F112 HydrophobicContact CG-CG 4.36Å; Y110-F112 PolarHBondContact O-N 3.41Å; F112-G114 VanDerWaalsContact C-N 3.32Å; F112-G114 PolarHBondContact O-N 2.95Å; F112-V115 PolarHBondContact O-N 2.8Å; F112-A116 VanDerWaalsContact O-CB 3.26Å; F112-A116 WeakPolarHBondContact O-CB 3.43Å; F112-A116 PolarHBondContact O-N 3.26Å; F112-P139 HydrophobicContact CE2-CG 4.05Å; F112-P139 HydrophobicContact CZ-CG 4.27Å; F112-V142 HydrophobicContact CD2-CG1 3.86Å; F112-V142 HydrophobicContact CD2-CG2 4.42Å; F112-V142 HydrophobicContact CE2-CB 4.23Å; F112-V142 HydrophobicContact CE2-CG1 3.71Å; F112-V142 HydrophobicContact CE2-CG2 3.45Å; F112-V142 VanDerWaalsContact CE2-CG2 3.45Å; F112-V142 HydrophobicContact CZ-CG1 4.43Å; F112-V142 HydrophobicContact CZ-CG2 3.67Å; F112-F176 HydrophobicContact CB-CD1 4.44Å; F112-F176 HydrophobicContact CB-CE1 3.78Å; F112-L179 HydrophobicContact CB-CD1 4.26Å; F112-V185 HydrophobicContact CE1-CG1 4.16Å; F112-V185 HydrophobicContact CE1-CG2 4.16Å; F112-V185 HydrophobicContact CZ-CG1 3.88Å; F112-V185 HydrophobicContact CZ-CG2 4.39Å; F112-W187 HydrophobicContact CB-CH2 3.93Å; F112-W187 HydrophobicContact CB-CZ2 4.46Å; F112-W187 AromaticContact CD1-CH2 3.75Å; F112-W187 HydrophobicContact CD1-CH2 3.75Å; F112-W187 AromaticContact CD1-CZ2 3.46Å; F112-W187 HydrophobicContact CD1-CZ2 3.46Å; F112-W187 VanDerWaalsContact CD1-CZ2 3.46Å; F112-W187 HydrophobicContact CD2-CH2 4.06Å; F112-W187 HydrophobicContact CD2-CZ2 4.44Å; F112-W187 HydrophobicContact CE1-CH2 4.29Å; F112-W187 AromaticContact CE1-CZ2 3.72Å; F112-W187 HydrophobicContact CE1-CZ2 3.72Å; F112-W187 AromaticContact CG-CH2 3.63Å; F112-W187 HydrophobicContact CG-CH2 3.63Å; F112-W187 AromaticContact CG-CZ2 3.87Å; F112-W187 HydrophobicContact CG-CZ2 3.87Å; F112-W187 HydrophobicContact CZ-CZ2 4.31Å; F112-L222 HydrophobicContact CE1-CD1 4.25Å; F112-L222 HydrophobicContact CZ-CD1 4.12Å; F112-W223 HydrophobicContact CD1-CH2 4.29Å; F112-W223 AromaticContact CD1-CZ2 3.7Å; F112-W223 HydrophobicContact CD1-CZ2 3.7Å; F112-W223 AromaticContact CE1-CZ2 3.71Å; F112-W223 HydrophobicContact CE1-CZ2 3.71Å
113S97.9Very high97.7Very high10 Ų1017.1 Ų17.17%0.0712%0.119CC..Hα-helixtrans-56.9-43.7168.8-89.40000111.8E24 R109 Y110 A111 V115 A116 F117E24-S113 PolarHBondContact OE1-N 3.46Å; E24-S113 WeakPolarHBondContact OE2-CB 3.44Å; E24-S113 PolarHBondContact OE2-OG 2.69Å; R109-S113 WeakPolarHBondContact CG-OG 3.38Å; R109-S113 PolarHBondContact NH1-OG 3.47Å; Y110-S113 PolarHBondContact O-N 3.03Å; A111-S113 PolarHBondContact O-N 3.43Å; S113-V115 PolarHBondContact O-N 2.58Å; S113-A116 PolarHBondContact O-N 3.48Å; S113-F117 WeakPolarHBondContact O-CB 3.45Å; S113-F117 WeakPolarHBondContact O-CD2 3.32Å; S113-F117 PolarHBondContact O-N 3.02Å
114G98Very high97.7Very high6 Ų616.8 Ų16.86%0.06212%0.116CC..Hα-helixtrans-57.5-46.7177.400000113Y110 A111 F112 T118Y110-G114 PolarHBondContact O-N 3.35Å; A111-G114 WeakPolarHBondContact O-CA 3.26Å; A111-G114 PolarHBondContact O-N 3.03Å; F112-G114 VanDerWaalsContact C-N 3.32Å; F112-G114 PolarHBondContact O-N 2.95Å; G114-T118 WeakPolarHBondContact O-CB 3.44Å; G114-T118 PolarHBondContact O-N 3.38Å; G114-T118 PolarHBondContact O-OG1 2.57Å
115V98.5Very high97.6Very high0 Ų020 Ų200%014%0.139CC..Hα-helixtrans-67.4-50.1178.1177.50000111.9A111 F112 S113 F117 T118 S119 L126 C129 K130 L179 W223A111-V115 WeakPolarHBondContact O-CG2 3.4Å; A111-V115 PolarHBondContact O-N 3.24Å; F112-V115 PolarHBondContact O-N 2.8Å; S113-V115 PolarHBondContact O-N 2.58Å; V115-F117 PolarHBondContact O-N 3.22Å; V115-T118 PolarHBondContact O-N 3.15Å; V115-S119 VanDerWaalsContact O-CB 3.27Å; V115-S119 WeakPolarHBondContact O-CB 3.44Å; V115-S119 PolarHBondContact O-N 3.24Å; V115-S119 PolarHBondContact O-OG 2.83Å; V115-L126 HydrophobicContact CG1-CD2 3.5Å; V115-C129 HydrophobicContact CB-CB 4.28Å; V115-C129 HydrophobicContact CG1-CB 3.85Å; V115-C129 HydrophobicContact CG2-CB 4.25Å; V115-C129 WeakPolarHBondContact CG2-O 3.48Å; V115-K130 HydrophobicContact CG1-CG 4.17Å; V115-K130 HydrophobicContact CG2-CG 3.99Å; V115-L179 HydrophobicContact CB-CD1 4.12Å; V115-L179 HydrophobicContact CG1-CD1 4.06Å; V115-L179 HydrophobicContact CG1-CD2 3.91Å; V115-L179 HydrophobicContact CG1-CG 4.45Å; V115-W223 HydrophobicContact CG2-CH2 3.52Å; V115-W223 HydrophobicContact CG2-CZ3 3.84Å
116A97.6Very high97.4Very high0 Ų022 Ų220%015%0.149CC..Hα-helixtrans-63.3-44.2-174.500000112F112 S113 S119 A120 V172 K175 F176 L179F112-A116 VanDerWaalsContact O-CB 3.26Å; F112-A116 WeakPolarHBondContact O-CB 3.43Å; F112-A116 PolarHBondContact O-N 3.26Å; S113-A116 PolarHBondContact O-N 3.48Å; A116-S119 PolarHBondContact O-OG 3.03Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 2.87Å; A116-V172 HydrophobicContact CB-CG1 4.08Å; A116-K175 HydrophobicContact CB-CB 4.02Å; A116-F176 HydrophobicContact CB-CD1 4.26Å; A116-F176 HydrophobicContact CB-CD2 3.71Å; A116-F176 HydrophobicContact CB-CE1 4.16Å; A116-F176 HydrophobicContact CB-CE2 3.6Å; A116-F176 HydrophobicContact CB-CG 4.05Å; A116-F176 HydrophobicContact CB-CZ 3.84Å; A116-L179 HydrophobicContact CB-CD1 4.21Å
117F96.9Very high97.3Very high24 Ų2426.1 Ų26.111%0.10517%0.171CC..Hα-helixtrans-67.9-40.4-180-82.1-108.3000112.3S113 V115 Y163 F168 V172S113-F117 WeakPolarHBondContact O-CB 3.45Å; S113-F117 WeakPolarHBondContact O-CD2 3.32Å; S113-F117 PolarHBondContact O-N 3.02Å; V115-F117 PolarHBondContact O-N 3.22Å; F117-Y163 AromaticContact CD1-CD2 3.66Å; F117-Y163 HydrophobicContact CD1-CD2 3.66Å; F117-Y163 HydrophobicContact CD1-CE2 4.32Å; F117-Y163 AromaticContact CD1-CG 3.9Å; F117-Y163 HydrophobicContact CD1-CG 3.9Å; F117-Y163 HydrophobicContact CE1-CD2 4.09Å; F117-Y163 HydrophobicContact CE1-CG 4.2Å; F117-F168 AromaticContact CD1-CE1 3.83Å; F117-F168 HydrophobicContact CD1-CE1 3.83Å; F117-F168 HydrophobicContact CE1-CE1 4.37Å; F117-F168 VanDerWaalsContact O-CZ 3.32Å; F117-F168 WeakPolarHBondContact O-CZ 3.35Å; F117-V172 HydrophobicContact CD1-CG2 4.28Å; F117-V172 HydrophobicContact CD2-CG1 3.81Å; F117-V172 HydrophobicContact CD2-CG2 4.39Å; F117-V172 HydrophobicContact CE2-CG1 3.7Å; F117-V172 HydrophobicContact CG-CG1 4.45Å; F117-V172 HydrophobicContact CG-CG2 4.22Å; F117-V172 HydrophobicContact CZ-CG1 4.21Å
118T98Very high97.3Very high5 Ų529.4 Ų29.43%0.03118%0.183CC..Hα-helixtrans-76.1-44.1-177.6-51.60000111.3H81 G114 V115 A120 K121 F124 W128H81-T118 HydrophobicContact CB-CG2 3.84Å; H81-T118 VanDerWaalsContact ND1-CB 3.33Å; H81-T118 WeakPolarHBondContact ND1-CB 3.31Å; H81-T118 PolarHBondContact ND1-OG1 3.09Å; G114-T118 WeakPolarHBondContact O-CB 3.44Å; G114-T118 PolarHBondContact O-N 3.38Å; G114-T118 PolarHBondContact O-OG1 2.57Å; V115-T118 PolarHBondContact O-N 3.15Å; T118-A120 PolarHBondContact O-N 2.88Å; T118-K121 WeakPolarHBondContact O-CB 3.27Å; T118-K121 PolarHBondContact O-N 3.47Å; T118-F124 HydrophobicContact CG2-CB 4.39Å; T118-F124 HydrophobicContact CG2-CD1 3.61Å; T118-F124 HydrophobicContact CG2-CD2 4.41Å; T118-F124 HydrophobicContact CG2-CE1 3.93Å; T118-F124 HydrophobicContact CG2-CG 3.87Å; T118-F124 HydrophobicContact CG2-CZ 4.47Å; T118-F124 WeakPolarHBondContact O-CB 3.45Å; T118-W128 HydrophobicContact CG2-CZ3 4.33Å
119S97.7Very high97.3Very high2 Ų229.4 Ų29.41%0.01418%0.183CC..Hα-helixtrans-70.6-10178.764.70000114.5V115 A116 K121 L126 K175V115-S119 VanDerWaalsContact O-CB 3.27Å; V115-S119 WeakPolarHBondContact O-CB 3.44Å; V115-S119 PolarHBondContact O-N 3.24Å; V115-S119 PolarHBondContact O-OG 2.83Å; A116-S119 PolarHBondContact O-OG 3.03Å; S119-K121 VanDerWaalsContact C-N 3.28Å; S119-L126 VanDerWaalsContact OG-CD2 3.3Å; S119-L126 WeakPolarHBondContact OG-CD2 3.26Å; S119-K175 WeakPolarHBondContact O-CE 3.45Å; S119-K175 PolarHBondContact O-NZ 2.72Å; S119-K175 WeakPolarHBondContact OG-CD 3.44Å; S119-K175 WeakPolarHBondContact OG-CG 3.27Å
120A96.4Very high97.3Very high17 Ų1730.2 Ų30.214%0.1419%0.188CC..THydrogen-bonded Turntrans-75.8-16.6168.100000112.7A116 T118 F168 V172 K175A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 2.87Å; T118-A120 PolarHBondContact O-N 2.88Å; A120-F168 HydrophobicContact CB-CE2 3.89Å; A120-F168 HydrophobicContact CB-CZ 4.09Å; A120-V172 HydrophobicContact CB-CG2 3.75Å; A120-K175 HydrophobicContact CB-CG 4.31Å
121K96.1Very high97.3Very high19 Ų1937.5 Ų37.58%0.08322%0.215CC..SBendtrans-81.4149.5173.7-56.4-179.4-170.6170.40110.7Y68 D77 T118 S119 F124 Y163 F168Y68-K121 PolarHBondContact OH-NZ 2.89Å; D77-K121 HydrophobicContact CB-CD 4.29Å; D77-K121 VanDerWaalsContact CG-NZ 3.3Å; D77-K121 IonicContact OD1-NZ 2.78Å; D77-K121 PolarHBondContact OD1-NZ 2.81Å; D77-K121 WeakPolarHBondContact OD2-CD 3.45Å; D77-K121 IonicContact OD2-NZ 3.22Å; T118-K121 WeakPolarHBondContact O-CB 3.27Å; T118-K121 PolarHBondContact O-N 3.47Å; S119-K121 VanDerWaalsContact C-N 3.28Å; K121-F124 HydrophobicContact CB-CD2 3.84Å; K121-F124 HydrophobicContact CB-CE2 4.27Å; K121-Y163 WeakPolarHBondContact CE-OH 3.28Å; K121-Y163 PolarHBondContact NZ-OH 3.15Å; K121-F168 HydrophobicContact CG-CE2 3.99Å; K121-F168 HydrophobicContact CG-CZ 4.22Å
122P93.6Very high97.3Very high127 Ų12739 Ų3983%0.82523%0.225SC*.THydrogen-bonded Turntrans-58.3141.5174.1-22.333.4000112F124P122-F124 WeakPolarHBondContact O-CD2 3.5Å
123G94.8Very high97.3Very high84 Ų8439 Ų3987%0.86623%0.225SC*.THydrogen-bonded Turntrans87-2.7175.100000116
124F97.7Very high97.4Very high21 Ų2141.3 Ų41.39%0.09224%0.238CC..  trans-107.7117.7-179.4-69.8-86.5000112.3D77 H78 T118 K121 P122 W128D77-F124 HydrophobicContact CB-CE2 3.69Å; D77-F124 HydrophobicContact CB-CZ 3.44Å; D77-F124 VanDerWaalsContact CB-CZ 3.44Å; H78-F124 AromaticContact CD2-CE1 3.59Å; H78-F124 AromaticContact CE1-CE1 3.83Å; H78-F124 AromaticContact CE1-CZ 3.61Å; H78-F124 AromaticContact CG-CE1 3.84Å; H78-F124 AromaticContact ND1-CE1 3.99Å; H78-F124 AromaticContact ND1-CZ 3.72Å; H78-F124 AromaticContact NE2-CE1 3.59Å; H78-F124 AromaticContact NE2-CZ 3.86Å; T118-F124 HydrophobicContact CG2-CB 4.39Å; T118-F124 HydrophobicContact CG2-CD1 3.61Å; T118-F124 HydrophobicContact CG2-CD2 4.41Å; T118-F124 HydrophobicContact CG2-CE1 3.93Å; T118-F124 HydrophobicContact CG2-CG 3.87Å; T118-F124 HydrophobicContact CG2-CZ 4.47Å; T118-F124 WeakPolarHBondContact O-CB 3.45Å; K121-F124 HydrophobicContact CB-CD2 3.84Å; K121-F124 HydrophobicContact CB-CE2 4.27Å; P122-F124 WeakPolarHBondContact O-CD2 3.5Å; F124-W128 AromaticContact CD1-CE3 3.76Å; F124-W128 HydrophobicContact CD1-CE3 3.76Å; F124-W128 HydrophobicContact CD1-CH2 4.46Å; F124-W128 AromaticContact CD1-CZ3 3.61Å; F124-W128 HydrophobicContact CD1-CZ3 3.61Å; F124-W128 HydrophobicContact CE1-CE3 4.18Å; F124-W128 HydrophobicContact CE1-CH2 4.08Å; F124-W128 AromaticContact CE1-CZ3 3.64Å; F124-W128 HydrophobicContact CE1-CZ3 3.64Å
125C96.3Very high97.4Very high74 Ų7441.5 Ų41.550%0.524%0.24SC..  trans-86.6150.6172.973.70000111.4D127 W128 C129C125-D127 VanDerWaalsContact C-N 3.28Å; C125-D127 PolarHBondContact O-N 2.86Å; C125-W128 PolarHBondContact O-N 2.98Å; C125-W128 VanDerWaalsContact SG-CB 3.55Å; C125-W128 PolarHBondContact SG-N 3.43Å; C125-W128 VanDerWaalsContact SG-N 3.44Å; C125-C129 PolarHBondContact O-N 2.95Å; C125-C129 PolarHBondContact O-SG 3.02Å; C125-C129 VanDerWaalsContact O-SG 3.41Å
126L95.9Very high97.4Very high41 Ų4141.5 Ų41.522%0.21524%0.24CC..Hα-helixtrans-58.5-39.7-179.8-80.2174.5000112.5V115 S119 C129 K130 K175 Q178 L179V115-L126 HydrophobicContact CG1-CD2 3.5Å; S119-L126 VanDerWaalsContact OG-CD2 3.3Å; S119-L126 WeakPolarHBondContact OG-CD2 3.26Å; L126-C129 PolarHBondContact O-N 3.22Å; L126-K130 WeakPolarHBondContact O-CG 3.32Å; L126-K130 PolarHBondContact O-N 2.92Å; L126-K175 HydrophobicContact CD2-CD 4.44Å; L126-Q178 HydrophobicContact CD1-CB 3.86Å; L126-L179 HydrophobicContact CD2-CD2 4.42Å
127D96.9Very high97.4Very high86 Ų8641.6 Ų41.646%0.4624%0.241SC..Hα-helixtrans-61.4-48.2-178.5-176.764.2000111.9C125 C129 K130 R131C125-D127 VanDerWaalsContact C-N 3.28Å; C125-D127 PolarHBondContact O-N 2.86Å; D127-C129 VanDerWaalsContact C-N 3.3Å; D127-C129 PolarHBondContact O-N 3.19Å; D127-K130 PolarHBondContact O-N 3.45Å; D127-K130 VanDerWaalsContact O-N 3.16Å; D127-R131 WeakPolarHBondContact O-CG 3.4Å; D127-R131 PolarHBondContact O-N 2.88Å; D127-R131 IonicContact OD2-CZ 2.74Å; D127-R131 IonicContact OD2-NE 3.07Å; D127-R131 PolarHBondContact OD2-NE 2.92Å; D127-R131 IonicContact OD2-NH2 3.4Å; D127-R131 PolarHBondContact OD2-NH2 2.87Å
128W98.3Very high97.5Very high70 Ų7043.4 Ų43.427%0.26525%0.249SC..Hα-helixtrans-58.9-44.5175.9-177.591.2000111.3H78 H81 T118 F124 C125 K130 R131 P132H78-W128 HydrophobicContact CB-CH2 3.94Å; H78-W128 HydrophobicContact CB-CZ2 4.18Å; H78-W128 AromaticContact CD2-CH2 3.66Å; H78-W128 AromaticContact CD2-CZ2 3.51Å; H81-W128 HydrophobicContact CB-CH2 4.17Å; H81-W128 HydrophobicContact CB-CZ3 4.14Å; H81-W128 AromaticContact CD2-CH2 3.41Å; H81-W128 VanDerWaalsContact CD2-CH2 3.41Å; H81-W128 WeakPolarHBondContact CD2-CH2 3.22Å; H81-W128 AromaticContact CD2-CZ3 3.2Å; H81-W128 WeakPolarHBondContact CD2-CZ3 3.45Å; H81-W128 AromaticContact CG-CH2 3.98Å; H81-W128 AromaticContact CG-CZ3 3.64Å; H81-W128 AromaticContact NE2-CZ3 3.74Å; T118-W128 HydrophobicContact CG2-CZ3 4.33Å; F124-W128 AromaticContact CD1-CE3 3.76Å; F124-W128 HydrophobicContact CD1-CE3 3.76Å; F124-W128 HydrophobicContact CD1-CH2 4.46Å; F124-W128 AromaticContact CD1-CZ3 3.61Å; F124-W128 HydrophobicContact CD1-CZ3 3.61Å; F124-W128 HydrophobicContact CE1-CE3 4.18Å; F124-W128 HydrophobicContact CE1-CH2 4.08Å; F124-W128 AromaticContact CE1-CZ3 3.64Å; F124-W128 HydrophobicContact CE1-CZ3 3.64Å; C125-W128 PolarHBondContact O-N 2.98Å; C125-W128 VanDerWaalsContact SG-CB 3.55Å; C125-W128 PolarHBondContact SG-N 3.43Å; C125-W128 VanDerWaalsContact SG-N 3.44Å; W128-K130 VanDerWaalsContact C-N 3.29Å; W128-K130 PolarHBondContact O-N 3.31Å; W128-R131 PolarHBondContact O-N 3.44Å; W128-P132 VanDerWaalsContact O-CD 3.24Å; W128-P132 WeakPolarHBondContact O-CD 3.45Å
129C98.6Very high97.6Very high0 Ų043.4 Ų43.40%025%0.249CC..Hα-helixtrans-65.1-29.8179.3-67.80000113.5H81 V115 C125 L126 D127H81-C129 PolarHBondContact CE1-O 3.38Å; H81-C129 PolarHBondContact NE2-O 3.45Å; V115-C129 HydrophobicContact CB-CB 4.28Å; V115-C129 HydrophobicContact CG1-CB 3.85Å; V115-C129 HydrophobicContact CG2-CB 4.25Å; V115-C129 WeakPolarHBondContact CG2-O 3.48Å; C125-C129 PolarHBondContact O-N 2.95Å; C125-C129 PolarHBondContact O-SG 3.02Å; C125-C129 VanDerWaalsContact O-SG 3.41Å; L126-C129 PolarHBondContact O-N 3.22Å; D127-C129 VanDerWaalsContact C-N 3.3Å; D127-C129 PolarHBondContact O-N 3.19Å
130K98.6Very high97.6Very high47 Ų4744.3 Ų44.320%0.20425%0.254CS..Hα-helixtrans-73.7-36.4178.7-75.7177.368.1165.70112.1V115 L126 D127 W128 D133 V134 D182 W223V115-K130 HydrophobicContact CG1-CG 4.17Å; V115-K130 HydrophobicContact CG2-CG 3.99Å; L126-K130 WeakPolarHBondContact O-CG 3.32Å; L126-K130 PolarHBondContact O-N 2.92Å; D127-K130 PolarHBondContact O-N 3.45Å; D127-K130 VanDerWaalsContact O-N 3.16Å; W128-K130 VanDerWaalsContact C-N 3.29Å; W128-K130 PolarHBondContact O-N 3.31Å; K130-D133 PolarHBondContact O-N 2.92Å; K130-V134 PolarHBondContact O-N 3.09Å; K130-D182 IonicContact NZ-OD2 3.31Å; K130-D182 PolarHBondContact NZ-OD2 3.46Å; K130-W223 HydrophobicContact CB-CD2 4.35Å; K130-W223 HydrophobicContact CB-CE3 3.77Å; K130-W223 HydrophobicContact CB-CZ3 3.88Å; K130-W223 HydrophobicContact CD-CD2 4.37Å; K130-W223 VanDerWaalsContact CE-CE2 3.42Å; K130-W223 VanDerWaalsContact CE-CG 3.4Å; K130-W223 HydrophobicContact CG-CD2 4.22Å; K130-W223 HydrophobicContact CG-CE3 3.95Å; K130-W223 HydrophobicContact CG-CH2 4Å; K130-W223 HydrophobicContact CG-CZ2 4.22Å; K130-W223 HydrophobicContact CG-CZ3 3.82Å
131R98.4Very high97.7Very high154 Ų15443.6 Ų43.658%0.58125%0.247SC*.G310 helixtrans-53.1-44.7-170-76.8171.5-173179.8-2114.9D127 W128 D133 V134D127-R131 WeakPolarHBondContact O-CG 3.4Å; D127-R131 PolarHBondContact O-N 2.88Å; D127-R131 IonicContact OD2-CZ 2.74Å; D127-R131 IonicContact OD2-NE 3.07Å; D127-R131 PolarHBondContact OD2-NE 2.92Å; D127-R131 IonicContact OD2-NH2 3.4Å; D127-R131 PolarHBondContact OD2-NH2 2.87Å; W128-R131 PolarHBondContact O-N 3.44Å; R131-D133 PolarHBondContact O-N 3.28Å; R131-D133 VanDerWaalsContact O-N 3.16Å; R131-V134 PolarHBondContact O-N 3.15Å
132P98.8Very high97.8Very high32 Ų3242.7 Ų42.721%0.20824%0.243CC..G310 helixtrans-60-27.1-179.7-28.138.3000113.8L82 S85 W89 W128L82-P132 HydrophobicContact CD2-CB 4.15Å; L82-P132 HydrophobicContact CD2-CG 3.69Å; S85-P132 VanDerWaalsContact OG-C 3.28Å; S85-P132 VanDerWaalsContact OG-CB 3.24Å; S85-P132 WeakPolarHBondContact OG-CB 3.26Å; S85-P132 PolarHBondContact OG-O 2.94Å; S85-P132 VanDerWaalsContact OG-O 3.11Å; W89-P132 PolarHBondContact NE1-O 3.46Å; W128-P132 VanDerWaalsContact O-CD 3.24Å; W128-P132 WeakPolarHBondContact O-CD 3.45Å
133D98.8Very high98.1Very high0 Ų036.7 Ų36.70%020%0.204CC..G310 helixtrans-100.10.6-176.1-70.4-36.7000113.8S85 R88 A111 K130 R131 G135 L136 W223S85-D133 WeakPolarHBondContact CB-OD1 3.49Å; S85-D133 PolarHBondContact OG-OD1 3.36Å; R88-D133 IonicContact CZ-OD1 3.39Å; R88-D133 IonicContact CZ-OD2 2.65Å; R88-D133 IonicContact NE-OD1 3.27Å; R88-D133 PolarHBondContact NE-OD1 2.92Å; R88-D133 IonicContact NE-OD2 3.26Å; R88-D133 PolarHBondContact NE-OD2 3.26Å; R88-D133 IonicContact NH2-OD1 2.76Å; R88-D133 PolarHBondContact NH2-OD1 2.63Å; R88-D133 IonicContact NH2-OD2 2.84Å; R88-D133 PolarHBondContact NH2-OD2 3.04Å; A111-D133 HydrophobicContact CB-CB 3.79Å; A111-D133 WeakPolarHBondContact CB-OD2 3.31Å; K130-D133 PolarHBondContact O-N 2.92Å; R131-D133 PolarHBondContact O-N 3.28Å; R131-D133 VanDerWaalsContact O-N 3.16Å; D133-G135 PolarHBondContact O-N 3.15Å; D133-L136 HydrophobicContact CB-CD1 3.72Å; D133-L136 HydrophobicContact CB-CG 4.34Å; D133-L136 WeakPolarHBondContact O-CB 3.2Å; D133-L136 WeakPolarHBondContact O-CG 3.41Å; D133-L136 PolarHBondContact O-N 2.78Å; D133-L136 WeakPolarHBondContact OD1-CD1 3.18Å; D133-W223 HydrophobicContact CB-CE3 4.3Å; D133-W223 HydrophobicContact CB-CZ3 3.82Å
134V98.7Very high98.2Very high59 Ų5932.8 Ų32.836%0.35816%0.163SC..THydrogen-bonded Turntrans-62.2125.5175.7173.20000109.5W89 K130 R131 L222 W223 K224W89-V134 WeakPolarHBondContact CZ2-O 3.31Å; K130-V134 PolarHBondContact O-N 3.09Å; R131-V134 PolarHBondContact O-N 3.15Å; V134-L222 WeakPolarHBondContact CA-O 3.32Å; V134-W223 HydrophobicContact CG2-CB 4.03Å; V134-K224 HydrophobicContact CG1-CB 4.39Å
135G98.4Very high98.1Very high10 Ų1031.8 Ų31.810%0.10316%0.159CC..THydrogen-bonded Turntrans94.9-3.3-177.900000115.1W89 D133 L222W89-G135 VanDerWaalsContact CH2-C 3.41Å; D133-G135 PolarHBondContact O-N 3.15Å; G135-L222 PolarHBondContact N-O 3.13Å
136L98.8Very high97.9Very high0 Ų032.2 Ų32.20%015%0.154CC..SBendtrans-57.5155168.9-78-178.9000111R88 W89 V92 Y110 A111 D133 K138 L222R88-L136 HydrophobicContact CB-CD1 4.03Å; R88-L136 HydrophobicContact CB-CD2 4.3Å; W89-L136 HydrophobicContact CD2-CD2 3.52Å; W89-L136 HydrophobicContact CD2-CG 4.38Å; W89-L136 HydrophobicContact CE3-CD2 3.8Å; W89-L136 HydrophobicContact CG-CD2 4Å; W89-L136 HydrophobicContact CH2-CD2 4.15Å; W89-L136 HydrophobicContact CH2-CG 4.41Å; W89-L136 HydrophobicContact CZ2-CD2 3.88Å; W89-L136 HydrophobicContact CZ2-CG 3.91Å; W89-L136 HydrophobicContact CZ3-CD2 4.1Å; V92-L136 HydrophobicContact CG2-CD2 3.45Å; V92-L136 VanDerWaalsContact CG2-CD2 3.45Å; Y110-L136 HydrophobicContact CE1-CB 4.27Å; Y110-L136 HydrophobicContact CE1-CD1 4.13Å; A111-L136 HydrophobicContact CB-CD1 4.14Å; D133-L136 HydrophobicContact CB-CD1 3.72Å; D133-L136 HydrophobicContact CB-CG 4.34Å; D133-L136 WeakPolarHBondContact O-CB 3.2Å; D133-L136 WeakPolarHBondContact O-CG 3.41Å; D133-L136 PolarHBondContact O-N 2.78Å; D133-L136 WeakPolarHBondContact OD1-CD1 3.18Å; L136-K138 PolarHBondContact O-N 2.69Å; L136-L222 HydrophobicContact CB-CB 4.3Å; L136-L222 HydrophobicContact CB-CD2 4.44Å; L136-L222 WeakPolarHBondContact O-CB 3.19Å; L136-L222 PolarHBondContact O-N 3.28Å
137P98.7Very high97.4Very high1 Ų130.4 Ų30.41%0.00614%0.144CC..BIsolated β-bridgetrans-43.7115.1165.3-33.239.2000111.9L20 V92 K96 Y110 P139 L219L20-P137 HydrophobicContact CD2-CB 3.66Å; L20-P137 WeakPolarHBondContact CD2-O 3.35Å; V92-P137 HydrophobicContact CG1-CG 3.94Å; V92-P137 HydrophobicContact CG2-CG 4.23Å; K96-P137 HydrophobicContact CG-CG 4.33Å; Y110-P137 WeakPolarHBondContact CE1-O 3.37Å; Y110-P137 PolarHBondContact OH-O 2.87Å; P137-P139 WeakPolarHBondContact O-CD 3.49Å; P137-L219 HydrophobicContact CB-CD1 4.44Å; P137-L219 HydrophobicContact CB-CD2 4.07Å; P137-L219 HydrophobicContact CG-CD2 4.48Å
138K98.7Very high96.5Very high63 Ų6330.7 Ų30.727%0.27415%0.146SC..  trans-71.5125.4179.6-173.6178175.9177.90109.5L136 S184 G220 L222L136-K138 PolarHBondContact O-N 2.69Å; K138-S184 WeakPolarHBondContact CE-O 3.42Å; K138-S184 PolarHBondContact NZ-O 2.57Å; K138-G220 VanDerWaalsContact CB-O 3.3Å; K138-G220 WeakPolarHBondContact CB-O 3.31Å; K138-G220 PolarHBondContact N-O 3.02Å; K138-L222 HydrophobicContact CB-CB 4.49Å; K138-L222 HydrophobicContact CG-CD1 4.48Å
139P98.7Very high95.3Very high4 Ų430.8 Ų30.83%0.02616%0.155CC..  trans-62.6138173.3-24.236.6000111.5L20 V22 Y110 F112 P137 L141 V142L20-P139 HydrophobicContact CD2-CG 4.32Å; L20-P139 HydrophobicContact CG-CB 4.33Å; L20-P139 CarbonylContact O-C 3.6Å; L20-P139 WeakPolarHBondContact O-CA 3.38Å; V22-P139 HydrophobicContact CB-CB 4.37Å; V22-P139 HydrophobicContact CB-CG 4.4Å; V22-P139 HydrophobicContact CG2-CB 3.76Å; V22-P139 HydrophobicContact CG2-CG 3.53Å; Y110-P139 HydrophobicContact CD1-CG 4.04Å; Y110-P139 HydrophobicContact CE1-CG 4.27Å; F112-P139 HydrophobicContact CE2-CG 4.05Å; F112-P139 HydrophobicContact CZ-CG 4.27Å; P137-P139 WeakPolarHBondContact O-CD 3.49Å; P139-L141 VanDerWaalsContact C-N 3.28Å; P139-V142 HydrophobicContact CB-CG2 3.64Å; P139-V142 HydrophobicContact CG-CG2 4.04Å
140D98.7Very high94.2Very high22 Ų2234.2 Ų34.212%0.11818%0.184CC..SBendtrans-74.7-26.2172.7-62.6-59.4000111.5R17 A19 L20 N186 T214R17-D140 IonicContact CZ-OD1 3.51Å; R17-D140 IonicContact CZ-OD2 3.62Å; R17-D140 IonicContact NH1-OD1 3.89Å; R17-D140 PolarHBondContact NH1-OD1 3.47Å; R17-D140 IonicContact NH1-OD2 2.63Å; R17-D140 PolarHBondContact NH1-OD2 3.34Å; R17-D140 IonicContact NH2-OD1 2.71Å; R17-D140 PolarHBondContact NH2-OD1 3.47Å; R17-D140 IonicContact NH2-OD2 3.61Å; A19-D140 VanDerWaalsContact CA-OD2 3.31Å; A19-D140 WeakPolarHBondContact CA-OD2 3.33Å; A19-D140 HydrophobicContact CB-CB 4.48Å; L20-D140 PolarHBondContact N-OD2 3.31Å; L20-D140 PolarHBondContact O-N 3.31Å; D140-N186 WeakPolarHBondContact O-CB 3.26Å; D140-N186 PolarHBondContact O-ND2 3.43Å; D140-T214 HydrophobicContact CB-CG2 3.62Å; D140-T214 WeakPolarHBondContact OD1-CG2 3.46Å
141L98.7Very high93.2Very high2 Ų235.1 Ų35.11%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-148.9132.3178174.962.7000109.7L20 I21 V22 P139 M143 K188 H206 A210L20-L141 PolarHBondContact O-N 2.82Å; I21-L141 HydrophobicContact CG1-CB 4.49Å; I21-L141 HydrophobicContact CG2-CB 4.48Å; I21-L141 HydrophobicContact CG2-CD2 4.16Å; I21-L141 HydrophobicContact CG2-CG 4.44Å; V22-L141 PolarHBondContact N-O 3.38Å; P139-L141 VanDerWaalsContact C-N 3.28Å; L141-M143 HydrophobicContact CD1-CG 4.11Å; L141-M143 HydrophobicContact CD2-CE 3.88Å; L141-M143 HydrophobicContact CD2-CG 4.02Å; L141-M143 HydrophobicContact CD2-SD 3.85Å; L141-M143 HydrophobicContact CG-CE 4.42Å; L141-M143 HydrophobicContact CG-CG 3.97Å; L141-M143 HydrophobicContact CG-SD 4.45Å; L141-K188 HydrophobicContact CD1-CB 4.12Å; L141-K188 HydrophobicContact CD1-CG 3.5Å; L141-K188 VanDerWaalsContact CD1-CG 3.5Å; L141-H206 HydrophobicContact CD2-CB 3.98Å; L141-A210 HydrophobicContact CB-CB 3.86Å; L141-A210 HydrophobicContact CD2-CB 3.99Å; L141-A210 HydrophobicContact CG-CB 4.5Å
142V98.8Very high92.1Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-120.7112.6170.2-168.30000108.8V22 E24 F112 P139 V185 N186 W187 K188V22-V142 HydrophobicContact CB-CG1 4.27Å; V22-V142 HydrophobicContact CB-CG2 4.42Å; V22-V142 HydrophobicContact CG1-CG1 4.23Å; V22-V142 CarbonylContact O-C 3.54Å; V22-V142 WeakPolarHBondContact O-CA 3.5Å; E24-V142 HydrophobicContact CB-CG1 4.49Å; E24-V142 HydrophobicContact CG-CG1 4.08Å; F112-V142 HydrophobicContact CD2-CG1 3.86Å; F112-V142 HydrophobicContact CD2-CG2 4.42Å; F112-V142 HydrophobicContact CE2-CB 4.23Å; F112-V142 HydrophobicContact CE2-CG1 3.71Å; F112-V142 HydrophobicContact CE2-CG2 3.45Å; F112-V142 VanDerWaalsContact CE2-CG2 3.45Å; F112-V142 HydrophobicContact CZ-CG1 4.43Å; F112-V142 HydrophobicContact CZ-CG2 3.67Å; P139-V142 HydrophobicContact CB-CG2 3.64Å; P139-V142 HydrophobicContact CG-CG2 4.04Å; V142-V185 HydrophobicContact CB-CG1 4.16Å; V142-V185 HydrophobicContact CG2-CG1 3.51Å; V142-N186 PolarHBondContact N-O 2.65Å; V142-W187 HydrophobicContact CB-CD2 4.15Å; V142-W187 HydrophobicContact CB-CE3 3.82Å; V142-W187 HydrophobicContact CB-CZ3 4.04Å; V142-W187 HydrophobicContact CG1-CD2 4.25Å; V142-W187 HydrophobicContact CG1-CE3 3.55Å; V142-W187 HydrophobicContact CG1-CH2 3.68Å; V142-W187 HydrophobicContact CG1-CZ2 4.35Å; V142-W187 HydrophobicContact CG1-CZ3 3.24Å; V142-W187 CarbonylContact O-C 3.58Å; V142-W187 WeakPolarHBondContact O-CA 3.23Å; V142-K188 PolarHBondContact O-N 3.09Å
143M98.6Very high91Very high0 Ų028.9 Ų28.90%017%0.173CC..EExtended strand (participates in β ladder)trans-98.2116.8177.7-74.1174.9-65.200110I21 V22 L23 E24 L141 L145 K188 I190 I203 H206I21-M143 HydrophobicContact CG2-CE 3.42Å; I21-M143 VanDerWaalsContact CG2-CE 3.42Å; V22-M143 PolarHBondContact O-N 3.24Å; L23-M143 WeakPolarHBondContact CA-O 3.37Å; L23-M143 HydrophobicContact CD1-CE 3.67Å; L23-M143 HydrophobicContact CG-CB 4.49Å; L23-M143 HydrophobicContact CG-CE 4.13Å; E24-M143 PolarHBondContact N-O 2.6Å; L141-M143 HydrophobicContact CD1-CG 4.11Å; L141-M143 HydrophobicContact CD2-CE 3.88Å; L141-M143 HydrophobicContact CD2-CG 4.02Å; L141-M143 HydrophobicContact CD2-SD 3.85Å; L141-M143 HydrophobicContact CG-CE 4.42Å; L141-M143 HydrophobicContact CG-CG 3.97Å; L141-M143 HydrophobicContact CG-SD 4.45Å; M143-L145 HydrophobicContact CB-CD1 4.44Å; M143-K188 CarbonylContact C-O 3.57Å; M143-K188 VanDerWaalsContact CA-O 3.25Å; M143-K188 WeakPolarHBondContact CA-O 3.32Å; M143-K188 HydrophobicContact CG-CB 4.16Å; M143-I190 HydrophobicContact CB-CG1 3.98Å; M143-I190 HydrophobicContact CG-CD1 4.31Å; M143-I190 HydrophobicContact CG-CG1 4.12Å; M143-I190 HydrophobicContact SD-CD1 4.33Å; M143-I190 HydrophobicContact SD-CG1 4.38Å; M143-I203 HydrophobicContact CE-CG2 3.79Å; M143-I203 HydrophobicContact SD-CB 4.14Å; M143-I203 HydrophobicContact SD-CG1 4.01Å; M143-I203 HydrophobicContact SD-CG2 4.03Å; M143-H206 HydrophobicContact SD-CB 4.08Å
144F97.9Very high90Very high3 Ų336.2 Ų36.21%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-93.3111173.7-175.7-99.1000109.5E24 Q146 F176 M180 W187 K188 I190E24-F144 HydrophobicContact CB-CD2 4.16Å; E24-F144 WeakPolarHBondContact O-CA 3.07Å; F144-Q146 HydrophobicContact CD1-CB 4.12Å; F144-Q146 HydrophobicContact CE1-CB 4.11Å; F144-Q146 HydrophobicContact CE1-CG 4.49Å; F144-Q146 PolarHBondContact O-N 3.24Å; F144-Q146 VanDerWaalsContact O-N 3.16Å; F144-F176 HydrophobicContact CD2-CB 4.3Å; F144-F176 HydrophobicContact CD2-CD1 4.06Å; F144-F176 HydrophobicContact CD2-CG 4.15Å; F144-F176 HydrophobicContact CE2-CB 3.61Å; F144-F176 AromaticContact CE2-CD1 3.87Å; F144-F176 HydrophobicContact CE2-CD1 3.87Å; F144-F176 AromaticContact CE2-CD2 3.8Å; F144-F176 HydrophobicContact CE2-CD2 3.8Å; F144-F176 HydrophobicContact CE2-CE1 4.45Å; F144-F176 HydrophobicContact CE2-CE2 4.39Å; F144-F176 AromaticContact CE2-CG 3.5Å; F144-F176 HydrophobicContact CE2-CG 3.5Å; F144-F176 VanDerWaalsContact CE2-CG 3.5Å; F144-F176 HydrophobicContact CZ-CB 4.06Å; F144-F176 HydrophobicContact CZ-CG 4.33Å; F144-M180 HydrophobicContact CB-SD 3.88Å; F144-M180 HydrophobicContact CD1-CE 4.15Å; F144-M180 HydrophobicContact CD1-SD 3.97Å; F144-M180 HydrophobicContact CD2-SD 4.5Å; F144-M180 HydrophobicContact CE1-CE 4.31Å; F144-M180 HydrophobicContact CG-CE 4.46Å; F144-M180 HydrophobicContact CG-SD 3.86Å; F144-W187 HydrophobicContact CB-CE3 4.27Å; F144-W187 HydrophobicContact CB-CZ3 4.21Å; F144-K188 PolarHBondContact N-O 2.95Å; F144-I190 PolarHBondContact O-N 3.26Å
145L95.5Very high88.9Confident0 Ų038.6 Ų38.60%021%0.214CC..EExtended strand (participates in β ladder)trans-77.6100.4175.4-81.463.4000108.4L23 E24 A29 K31 Q34 M143 I190 A192 I203L23-L145 HydrophobicContact CB-CD1 4.42Å; L23-L145 HydrophobicContact CD2-CD1 4.14Å; L23-L145 HydrophobicContact CG-CD1 4.25Å; E24-L145 PolarHBondContact O-N 3.15Å; A29-L145 HydrophobicContact CB-CB 3.8Å; K31-L145 HydrophobicContact CG-CD2 4.28Å; Q34-L145 HydrophobicContact CG-CD2 4.13Å; M143-L145 HydrophobicContact CB-CD1 4.44Å; L145-I190 HydrophobicContact CD1-CB 4.46Å; L145-A192 HydrophobicContact CB-CB 3.94Å; L145-A192 HydrophobicContact CG-CB 4.35Å; L145-I203 HydrophobicContact CD1-CD1 4.09Å; L145-I203 HydrophobicContact CD2-CD1 4.38Å; L145-I203 HydrophobicContact CG-CD1 4.43Å
146Q90.8Very high87.3Confident82 Ų8239.7 Ų39.738%0.38323%0.225SC..EExtended strand (participates in β ladder)trans-82.5123.9179.3-175.4174.144.500109.6F144 V189 I190 A192F144-Q146 HydrophobicContact CD1-CB 4.12Å; F144-Q146 HydrophobicContact CE1-CB 4.11Å; F144-Q146 HydrophobicContact CE1-CG 4.49Å; F144-Q146 PolarHBondContact O-N 3.24Å; F144-Q146 VanDerWaalsContact O-N 3.16Å; Q146-V189 HydrophobicContact CB-CG1 3.74Å; Q146-V189 HydrophobicContact CG-CG1 4.49Å; Q146-I190 PolarHBondContact N-O 3.19Å; Q146-A192 WeakPolarHBondContact O-CA 3.49Å; Q146-A192 VanDerWaalsContact O-CB 3.28Å; Q146-A192 WeakPolarHBondContact O-CB 3.25Å; Q146-A192 PolarHBondContact O-N 3.28Å
147L85.3Confident85.5Confident3 Ų348.3 Ų48.32%0.01627%0.265CS..  trans-139.6136.4175.9-171.766.6000108.4E151 A152 A192L147-E151 HydrophobicContact CD1-CB 3.79Å; L147-E151 WeakPolarHBondContact CD1-OE2 3.32Å; L147-E151 HydrophobicContact CG-CB 4.03Å; L147-A152 HydrophobicContact CD2-CB 3.78Å; L147-A152 HydrophobicContact CG-CB 4.32Å; L147-A192 HydrophobicContact CB-CB 4.31Å
148N79.2Confident83.9Confident92 Ų9251.4 Ų51.449%0.49228%0.279SS..  trans-65.8141.2176.9-71.2-44.5000110A150 E151 A152N148-A150 PolarHBondContact O-N 3.26Å; N148-A150 VanDerWaalsContact O-N 3.13Å; N148-E151 HydrophobicContact CB-CB 4.44Å; N148-E151 HydrophobicContact CB-CG 4.14Å; N148-E151 WeakPolarHBondContact CB-OE2 3.32Å; N148-E151 PolarHBondContact N-OE2 3.34Å; N148-E151 WeakPolarHBondContact O-CB 3.32Å; N148-E151 PolarHBondContact O-N 3.01Å; N148-A152 PolarHBondContact O-N 2.98Å
149P73.2Confident82.4Confident72 Ų7250 Ų5047%0.46828%0.282SS..Hα-helixtrans-54.9-35179.7-29.135.4000114A152 A153P149-A152 PolarHBondContact O-N 2.89Å; P149-A153 PolarHBondContact O-N 3.5Å; P149-A153 VanDerWaalsContact O-N 3.07Å
150A75Confident81.5Confident72 Ų7256.8 Ų56.860%0.59532%0.318SS*.Hα-helixtrans-63.9-42.7175.500000112N148 A153 L154N148-A150 PolarHBondContact O-N 3.26Å; N148-A150 VanDerWaalsContact O-N 3.13Å; A150-A153 PolarHBondContact O-N 2.84Å; A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 3.46Å
151E77.5Confident80.8Confident66 Ų6658.7 Ų58.731%0.30833%0.326SS..Hα-helixtrans-71.3-35.8177.6-63.8168.9161.400111.8L147 N148 A153 L154L147-E151 HydrophobicContact CD1-CB 3.79Å; L147-E151 WeakPolarHBondContact CD1-OE2 3.32Å; L147-E151 HydrophobicContact CG-CB 4.03Å; N148-E151 HydrophobicContact CB-CB 4.44Å; N148-E151 HydrophobicContact CB-CG 4.14Å; N148-E151 WeakPolarHBondContact CB-OE2 3.32Å; N148-E151 PolarHBondContact N-OE2 3.34Å; N148-E151 WeakPolarHBondContact O-CB 3.32Å; N148-E151 PolarHBondContact O-N 3.01Å; E151-A153 VanDerWaalsContact C-N 3.27Å; E151-A153 PolarHBondContact O-N 2.96Å; E151-L154 PolarHBondContact O-N 2.81Å
152A76.5Confident80.3Confident6 Ų661.3 Ų61.35%0.0534%0.336CS..Hα-helixtrans-61.1-37.7173.500000111.8L147 N148 P149 L154 R155L147-A152 HydrophobicContact CD2-CB 3.78Å; L147-A152 HydrophobicContact CG-CB 4.32Å; N148-A152 PolarHBondContact O-N 2.98Å; P149-A152 PolarHBondContact O-N 2.89Å; A152-L154 VanDerWaalsContact C-N 3.35Å; A152-R155 PolarHBondContact O-N 2.91Å
153A74.1Confident79.7Confident49 Ų4962.4 Ų62.441%0.40534%0.34SS..Hα-helixtrans-69.4-29.2176.200000113.1P149 A150 E151 R155 G156P149-A153 PolarHBondContact O-N 3.5Å; P149-A153 VanDerWaalsContact O-N 3.07Å; A150-A153 PolarHBondContact O-N 2.84Å; E151-A153 VanDerWaalsContact C-N 3.27Å; E151-A153 PolarHBondContact O-N 2.96Å; A153-R155 PolarHBondContact O-N 2.97Å; A153-G156 CarbonylContact O-C 3.59Å; A153-G156 PolarHBondContact O-N 2.99Å
154L77.6Confident78.9Confident154 Ų15464.2 Ų64.281%0.80635%0.349SS*.Hα-helixtrans-68.9-20.3175.3-65.9175.3000112.9A150 E151 A152 G156A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 3.46Å; E151-L154 PolarHBondContact O-N 2.81Å; A152-L154 VanDerWaalsContact C-N 3.35Å; L154-G156 PolarHBondContact O-N 3.2Å
155R75.8Confident78.3Confident109 Ų10967.5 Ų67.541%0.41137%0.369SS..THydrogen-bonded Turntrans-819.5178.6-63.8-179.9178.7-176.7-0.3113.6R28 A29 A152 A153 A192R28-R155 HydrophobicContact CB-CB 4.4Å; R28-R155 WeakPolarHBondContact O-CD 3.41Å; R28-R155 PolarHBondContact O-NH1 2.73Å; A29-R155 PolarHBondContact O-NH1 3.36Å; A152-R155 PolarHBondContact O-N 2.91Å; A153-R155 PolarHBondContact O-N 2.97Å; R155-A192 PolarHBondContact NH2-O 2.89Å
156G64.9Low77.6Confident33 Ų3371.6 Ų71.634%0.3440%0.398SS..  trans133.4164.7176.300000112.4R28 A153 L154R28-G156 PolarHBondContact NH1-O 3.19Å; A153-G156 CarbonylContact O-C 3.59Å; A153-G156 PolarHBondContact O-N 2.99Å; L154-G156 PolarHBondContact O-N 3.2Å
157Q61.8Low77.3Confident182 Ų18271.1 Ų71.185%0.8541%0.408SS*.  trans-71.7139.4172.3-68.5-173.90.500110.6R28 G159R28-Q157 VanDerWaalsContact CZ-C 3.48Å; R28-Q157 PolarHBondContact NH1-O 3.33Å; R28-Q157 VanDerWaalsContact NH1-O 3.11Å; R28-Q157 VanDerWaalsContact NH2-C 3.32Å; R28-Q157 PolarHBondContact NH2-O 2.95Å; Q157-G159 PolarHBondContact O-N 3.03Å
158F64.7Low77.6Confident66 Ų6672.5 Ų72.529%0.28941%0.414SS..  trans-46.3134173.8-77.6-71000110.4E164 Q169F158-E164 HydrophobicContact CB-CB 4.04Å; F158-E164 WeakPolarHBondContact CB-O 3.48Å; F158-E164 HydrophobicContact CD1-CB 3.86Å; F158-E164 WeakPolarHBondContact CD1-O 3.38Å; F158-E164 HydrophobicContact CG-CB 4.36Å; F158-E164 VanDerWaalsContact CG-O 3.26Å; F158-E164 WeakPolarHBondContact CG-O 3.38Å; F158-Q169 HydrophobicContact CE1-CG 4.15Å
159G67.4Low77.9Confident33 Ų3368.8 Ų68.834%0.3439%0.393SS..  trans-73.1-167.7-179.900000110.9R28 Q157 E164R28-G159 VanDerWaalsContact NH2-N 3.11Å; Q157-G159 PolarHBondContact O-N 3.03Å; G159-E164 WeakPolarHBondContact CA-OE2 3.42Å; G159-E164 PolarHBondContact N-OE2 2.58Å; G159-E164 VanDerWaalsContact N-OE2 3.11Å
160N78.6Confident78.7Confident146 Ų14671.4 Ų71.478%0.78140%0.397SS*.SBendtrans-91.21.2-177.2-68.9-31.6000113.3K71 E164K71-N160 WeakPolarHBondContact CE-O 3.4Å; K71-N160 PolarHBondContact NZ-O 2.99Å; N160-E164 PolarHBondContact N-OE2 3.39Å
161E85.3Confident79.5Confident62 Ų6269.9 Ų69.929%0.2938%0.383SS..SBendtrans-70.4154.9-178.7-65.5-162162.400111.7R57 L69 Y163 E164R57-E161 IonicContact CZ-OE1 2.69Å; R57-E161 IonicContact NH1-OE1 2.58Å; R57-E161 PolarHBondContact NH1-OE1 3.34Å; R57-E161 IonicContact NH2-OE1 3.74Å; R57-E161 PolarHBondContact NH2-OE1 3.38Å; R57-E161 IonicContact NH2-OE2 3.67Å; R57-E161 PolarHBondContact NH2-OE2 2.94Å; L69-E161 CarbonylContact O-C 3.51Å; L69-E161 WeakPolarHBondContact O-CA 3.38Å; E161-Y163 PolarHBondContact O-N 3.06Å; E161-Y163 VanDerWaalsContact O-N 3.08Å; E161-E164 HydrophobicContact CB-CG 4.1Å; E161-E164 WeakPolarHBondContact CB-OE2 3.17Å; E161-E164 PolarHBondContact N-OE2 2.92Å; E161-E164 PolarHBondContact O-N 3.07Å
162R88.8Confident80.3Confident58 Ų5866.8 Ų66.822%0.21937%0.368CS..THydrogen-bonded Turntrans-54.4-32.5-168.2-168.9177.1-69.4-97.32.7115.2Y68 L69 K71 S73 D74Y68-R162 VanDerWaalsContact CE1-CD 3.43Å; Y68-R162 PolarHBondContact O-NE 3.25Å; Y68-R162 PolarHBondContact O-NH2 3.43Å; Y68-R162 VanDerWaalsContact O-NH2 3.16Å; Y68-R162 WeakPolarHBondContact OH-CD 3.49Å; L69-R162 PolarHBondContact O-N 2.99Å; K71-R162 HydrophobicContact CG-CB 4.35Å; S73-R162 PolarHBondContact O-NH2 3.32Å; D74-R162 IonicContact OD1-CZ 3.51Å; D74-R162 VanDerWaalsContact OD1-CZ 3.26Å; D74-R162 IonicContact OD1-NH1 3.63Å; D74-R162 PolarHBondContact OD1-NH1 2.93Å; D74-R162 IonicContact OD1-NH2 2.74Å; D74-R162 PolarHBondContact OD1-NH2 2.85Å
163Y85.9Confident81Confident23 Ų2367.7 Ų67.79%0.0937%0.372CS..THydrogen-bonded Turntrans-108.16.3-171.6-57.8-45.2000114.6Y68 L69 F117 K121 E161 T165 F168 Q169Y68-Y163 HydrophobicContact CE1-CE2 4.15Å; Y68-Y163 AromaticContact CE1-CZ 3.78Å; Y68-Y163 WeakPolarHBondContact CE1-OH 3.42Å; Y68-Y163 PolarHBondContact OH-OH 3.5Å; L69-Y163 HydrophobicContact CD2-CD2 3.74Å; L69-Y163 HydrophobicContact CD2-CE2 3.74Å; F117-Y163 AromaticContact CD1-CD2 3.66Å; F117-Y163 HydrophobicContact CD1-CD2 3.66Å; F117-Y163 HydrophobicContact CD1-CE2 4.32Å; F117-Y163 AromaticContact CD1-CG 3.9Å; F117-Y163 HydrophobicContact CD1-CG 3.9Å; F117-Y163 HydrophobicContact CE1-CD2 4.09Å; F117-Y163 HydrophobicContact CE1-CG 4.2Å; K121-Y163 WeakPolarHBondContact CE-OH 3.28Å; K121-Y163 PolarHBondContact NZ-OH 3.15Å; E161-Y163 PolarHBondContact O-N 3.06Å; E161-Y163 VanDerWaalsContact O-N 3.08Å; Y163-T165 PolarHBondContact O-N 3.33Å; Y163-F168 AromaticContact CD1-CD1 3.99Å; Y163-F168 HydrophobicContact CD1-CD1 3.99Å; Y163-F168 AromaticContact CD1-CE1 3.43Å; Y163-F168 HydrophobicContact CD1-CE1 3.43Å; Y163-F168 VanDerWaalsContact CD1-CE1 3.43Å; Y163-F168 AromaticContact CD1-CZ 3.86Å; Y163-F168 HydrophobicContact CD1-CZ 3.86Å; Y163-F168 HydrophobicContact CE1-CE1 4.19Å; Y163-F168 HydrophobicContact CE1-CZ 4.2Å; Y163-F168 HydrophobicContact CG-CD1 4.21Å; Y163-F168 AromaticContact CG-CE1 3.67Å; Y163-F168 HydrophobicContact CG-CE1 3.67Å; Y163-F168 HydrophobicContact CG-CZ 4.46Å; Y163-Q169 PolarHBondContact O-NE2 3.38Å
164E81.8Confident81.9Confident37 Ų3769.4 Ų69.417%0.17337%0.371CS..  trans-83.154.9-178.9-65.9-173.3121.200110.8F158 G159 N160 E161F158-E164 HydrophobicContact CB-CB 4.04Å; F158-E164 WeakPolarHBondContact CB-O 3.48Å; F158-E164 HydrophobicContact CD1-CB 3.86Å; F158-E164 WeakPolarHBondContact CD1-O 3.38Å; F158-E164 HydrophobicContact CG-CB 4.36Å; F158-E164 VanDerWaalsContact CG-O 3.26Å; F158-E164 WeakPolarHBondContact CG-O 3.38Å; G159-E164 WeakPolarHBondContact CA-OE2 3.42Å; G159-E164 PolarHBondContact N-OE2 2.58Å; G159-E164 VanDerWaalsContact N-OE2 3.11Å; N160-E164 PolarHBondContact N-OE2 3.39Å; E161-E164 HydrophobicContact CB-CG 4.1Å; E161-E164 WeakPolarHBondContact CB-OE2 3.17Å; E161-E164 PolarHBondContact N-OE2 2.92Å; E161-E164 PolarHBondContact O-N 3.07Å
165T84Confident82.8Confident73 Ų7364.2 Ų64.245%0.44834%0.342SS..  trans-120.8141171.671.90000110.8Y163 A167 F168 Q169Y163-T165 PolarHBondContact O-N 3.33Å; T165-A167 PolarHBondContact O-N 2.56Å; T165-F168 PolarHBondContact O-N 3.34Å; T165-F168 WeakPolarHBondContact OG1-CB 3.35Å; T165-Q169 VanDerWaalsContact O-CG 3.29Å; T165-Q169 WeakPolarHBondContact O-CG 3.47Å; T165-Q169 PolarHBondContact O-N 2.81Å
166S80.3Confident83.8Confident85 Ų8559 Ų5959%0.59432%0.322SS*.Hα-helixtrans-58.8-43.2-175.454.60000113.1F168 Q169 K170S166-F168 PolarHBondContact O-N 3.36Å; S166-Q169 PolarHBondContact O-N 3.31Å; S166-K170 PolarHBondContact O-N 3.12Å; S166-K170 VanDerWaalsContact O-N 3.08Å
167A86.4Confident85.2Confident73 Ų7361.5 Ų61.560%0.60333%0.325SS*.Hα-helixtrans-63.1-41.8178.800000112.2T165 S171T165-A167 PolarHBondContact O-N 2.56Å; A167-S171 PolarHBondContact O-N 3.14Å; A167-S171 PolarHBondContact O-OG 3.18Å
168F89.6Confident86.9Confident32 Ų3256.7 Ų56.714%0.1430%0.303CS..Hα-helixtrans-69.5-42.4178-170.5-108.1000111.7F117 A120 K121 Y163 T165 S166 K170 S171 V172F117-F168 AromaticContact CD1-CE1 3.83Å; F117-F168 HydrophobicContact CD1-CE1 3.83Å; F117-F168 HydrophobicContact CE1-CE1 4.37Å; F117-F168 VanDerWaalsContact O-CZ 3.32Å; F117-F168 WeakPolarHBondContact O-CZ 3.35Å; A120-F168 HydrophobicContact CB-CE2 3.89Å; A120-F168 HydrophobicContact CB-CZ 4.09Å; K121-F168 HydrophobicContact CG-CE2 3.99Å; K121-F168 HydrophobicContact CG-CZ 4.22Å; Y163-F168 AromaticContact CD1-CD1 3.99Å; Y163-F168 HydrophobicContact CD1-CD1 3.99Å; Y163-F168 AromaticContact CD1-CE1 3.43Å; Y163-F168 HydrophobicContact CD1-CE1 3.43Å; Y163-F168 VanDerWaalsContact CD1-CE1 3.43Å; Y163-F168 AromaticContact CD1-CZ 3.86Å; Y163-F168 HydrophobicContact CD1-CZ 3.86Å; Y163-F168 HydrophobicContact CE1-CE1 4.19Å; Y163-F168 HydrophobicContact CE1-CZ 4.2Å; Y163-F168 HydrophobicContact CG-CD1 4.21Å; Y163-F168 AromaticContact CG-CE1 3.67Å; Y163-F168 HydrophobicContact CG-CE1 3.67Å; Y163-F168 HydrophobicContact CG-CZ 4.46Å; T165-F168 PolarHBondContact O-N 3.34Å; T165-F168 WeakPolarHBondContact OG1-CB 3.35Å; S166-F168 PolarHBondContact O-N 3.36Å; F168-K170 VanDerWaalsContact C-N 3.29Å; F168-K170 PolarHBondContact O-N 3.08Å; F168-S171 WeakPolarHBondContact O-CB 3.29Å; F168-S171 PolarHBondContact O-N 2.8Å; F168-V172 HydrophobicContact CD1-CG2 3.98Å; F168-V172 HydrophobicContact CE1-CG2 3.73Å; F168-V172 HydrophobicContact CZ-CG2 4.18Å; F168-V172 WeakPolarHBondContact O-CG2 3.32Å; F168-V172 PolarHBondContact O-N 3.47Å
169Q87.4Confident88.5Confident13 Ų1354 Ų546%0.06129%0.291CS..Hα-helixtrans-62-35.1178.1-68.7-70.6-4600112.7D27 F158 Y163 T165 S166 V172 Q173D27-Q169 PolarHBondContact OD2-NE2 2.82Å; F158-Q169 HydrophobicContact CE1-CG 4.15Å; Y163-Q169 PolarHBondContact O-NE2 3.38Å; T165-Q169 VanDerWaalsContact O-CG 3.29Å; T165-Q169 WeakPolarHBondContact O-CG 3.47Å; T165-Q169 PolarHBondContact O-N 2.81Å; S166-Q169 PolarHBondContact O-N 3.31Å; Q169-V172 PolarHBondContact O-N 3.4Å; Q169-Q173 PolarHBondContact O-N 3.33Å
170K88.8Confident89.9Confident127 Ų12754.4 Ų54.455%0.55229%0.285SS*.Hα-helixtrans-60.7-45.9171.8-174.3-179176.4-1760111.4S166 F168 V172 Q173 E174S166-K170 PolarHBondContact O-N 3.12Å; S166-K170 VanDerWaalsContact O-N 3.08Å; F168-K170 VanDerWaalsContact C-N 3.29Å; F168-K170 PolarHBondContact O-N 3.08Å; K170-V172 VanDerWaalsContact C-N 3.32Å; K170-V172 PolarHBondContact O-N 3.16Å; K170-Q173 WeakPolarHBondContact O-CB 3.49Å; K170-Q173 PolarHBondContact O-N 2.95Å; K170-E174 PolarHBondContact O-N 3.03Å; K170-E174 VanDerWaalsContact O-N 3.15Å
171S92.1Very high90.8Very high41 Ų4155.4 Ų55.429%0.28728%0.282SS..Hα-helixtrans-62.5-40.5177.3-54.90000111.3A167 F168 E174 K175A167-S171 PolarHBondContact O-N 3.14Å; A167-S171 PolarHBondContact O-OG 3.18Å; F168-S171 WeakPolarHBondContact O-CB 3.29Å; F168-S171 PolarHBondContact O-N 2.8Å; S171-E174 PolarHBondContact O-N 3.32Å; S171-K175 WeakPolarHBondContact O-CG 3.37Å; S171-K175 PolarHBondContact O-N 3.32Å
172V93.4Very high91.3Very high0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-62.6-41.6175.3171.90000111.8A116 F117 A120 F168 Q169 K170 E174 K175 F176A116-V172 HydrophobicContact CB-CG1 4.08Å; F117-V172 HydrophobicContact CD1-CG2 4.28Å; F117-V172 HydrophobicContact CD2-CG1 3.81Å; F117-V172 HydrophobicContact CD2-CG2 4.39Å; F117-V172 HydrophobicContact CE2-CG1 3.7Å; F117-V172 HydrophobicContact CG-CG1 4.45Å; F117-V172 HydrophobicContact CG-CG2 4.22Å; F117-V172 HydrophobicContact CZ-CG1 4.21Å; A120-V172 HydrophobicContact CB-CG2 3.75Å; F168-V172 HydrophobicContact CD1-CG2 3.98Å; F168-V172 HydrophobicContact CE1-CG2 3.73Å; F168-V172 HydrophobicContact CZ-CG2 4.18Å; F168-V172 WeakPolarHBondContact O-CG2 3.32Å; F168-V172 PolarHBondContact O-N 3.47Å; Q169-V172 PolarHBondContact O-N 3.4Å; K170-V172 VanDerWaalsContact C-N 3.32Å; K170-V172 PolarHBondContact O-N 3.16Å; V172-E174 PolarHBondContact O-N 3.23Å; V172-K175 PolarHBondContact O-N 2.96Å; V172-K175 VanDerWaalsContact O-N 3.15Å; V172-F176 HydrophobicContact CG1-CD2 3.82Å; V172-F176 HydrophobicContact CG1-CE2 3.65Å; V172-F176 WeakPolarHBondContact O-CD2 3.2Å; V172-F176 PolarHBondContact O-N 3.07Å
173Q92.4Very high91.6Very high26 Ų2657.3 Ų57.312%0.12131%0.306CS..Hα-helixtrans-59-46.1176.5179.8174.3-4.300111.6V26 Q169 K170 K175 F176 E177V26-Q173 HydrophobicContact CG1-CB 4.16Å; Q169-Q173 PolarHBondContact O-N 3.33Å; K170-Q173 WeakPolarHBondContact O-CB 3.49Å; K170-Q173 PolarHBondContact O-N 2.95Å; Q173-K175 PolarHBondContact O-N 3.13Å; Q173-F176 WeakPolarHBondContact O-CB 3.42Å; Q173-F176 PolarHBondContact O-N 2.63Å; Q173-F176 VanDerWaalsContact O-N 3.09Å; Q173-E177 WeakPolarHBondContact O-CG 3.38Å; Q173-E177 PolarHBondContact O-N 3.45Å
174E93.7Very high92.1Very high84 Ų8458.7 Ų58.739%0.39332%0.319SS..Hα-helixtrans-60-32.7176.7-67.1169.3-170.100112.2K170 S171 V172 Q178K170-E174 PolarHBondContact O-N 3.03Å; K170-E174 VanDerWaalsContact O-N 3.15Å; S171-E174 PolarHBondContact O-N 3.32Å; V172-E174 PolarHBondContact O-N 3.23Å; E174-Q178 WeakPolarHBondContact O-CG 3.46Å; E174-Q178 PolarHBondContact O-N 2.81Å; E174-Q178 PolarHBondContact O-NE2 3.1Å
175K96.3Very high92.8Very high46 Ų4657.3 Ų57.320%0.231%0.313CS..Hα-helixtrans-73.2-37.9174.8-58.3-61.7166.3158.60112.3A116 S119 A120 L126 S171 V172 Q173 E177 Q178 L179A116-K175 HydrophobicContact CB-CB 4.02Å; S119-K175 WeakPolarHBondContact O-CE 3.45Å; S119-K175 PolarHBondContact O-NZ 2.72Å; S119-K175 WeakPolarHBondContact OG-CD 3.44Å; S119-K175 WeakPolarHBondContact OG-CG 3.27Å; A120-K175 HydrophobicContact CB-CG 4.31Å; L126-K175 HydrophobicContact CD2-CD 4.44Å; S171-K175 WeakPolarHBondContact O-CG 3.37Å; S171-K175 PolarHBondContact O-N 3.32Å; V172-K175 PolarHBondContact O-N 2.96Å; V172-K175 VanDerWaalsContact O-N 3.15Å; Q173-K175 PolarHBondContact O-N 3.13Å; K175-E177 VanDerWaalsContact C-N 3.33Å; K175-Q178 WeakPolarHBondContact O-CB 3.5Å; K175-Q178 PolarHBondContact O-N 3.19Å; K175-L179 WeakPolarHBondContact O-CG 3.39Å; K175-L179 PolarHBondContact O-N 2.92Å
176F96.4Very high93.5Very high0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-61.7-41.8171.3-84.6-69.3000111.8E24 F112 A116 F144 V172 Q173 Q178 L179 M180 W187E24-F176 HydrophobicContact CB-CE1 3.91Å; E24-F176 HydrophobicContact CB-CZ 4.36Å; E24-F176 HydrophobicContact CG-CE1 4.02Å; E24-F176 WeakPolarHBondContact OE2-CZ 3.48Å; F112-F176 HydrophobicContact CB-CD1 4.44Å; F112-F176 HydrophobicContact CB-CE1 3.78Å; A116-F176 HydrophobicContact CB-CD1 4.26Å; A116-F176 HydrophobicContact CB-CD2 3.71Å; A116-F176 HydrophobicContact CB-CE1 4.16Å; A116-F176 HydrophobicContact CB-CE2 3.6Å; A116-F176 HydrophobicContact CB-CG 4.05Å; A116-F176 HydrophobicContact CB-CZ 3.84Å; F144-F176 HydrophobicContact CD2-CB 4.3Å; F144-F176 HydrophobicContact CD2-CD1 4.06Å; F144-F176 HydrophobicContact CD2-CG 4.15Å; F144-F176 HydrophobicContact CE2-CB 3.61Å; F144-F176 AromaticContact CE2-CD1 3.87Å; F144-F176 HydrophobicContact CE2-CD1 3.87Å; F144-F176 AromaticContact CE2-CD2 3.8Å; F144-F176 HydrophobicContact CE2-CD2 3.8Å; F144-F176 HydrophobicContact CE2-CE1 4.45Å; F144-F176 HydrophobicContact CE2-CE2 4.39Å; F144-F176 AromaticContact CE2-CG 3.5Å; F144-F176 HydrophobicContact CE2-CG 3.5Å; F144-F176 VanDerWaalsContact CE2-CG 3.5Å; F144-F176 HydrophobicContact CZ-CB 4.06Å; F144-F176 HydrophobicContact CZ-CG 4.33Å; V172-F176 HydrophobicContact CG1-CD2 3.82Å; V172-F176 HydrophobicContact CG1-CE2 3.65Å; V172-F176 WeakPolarHBondContact O-CD2 3.2Å; V172-F176 PolarHBondContact O-N 3.07Å; Q173-F176 WeakPolarHBondContact O-CB 3.42Å; Q173-F176 PolarHBondContact O-N 2.63Å; Q173-F176 VanDerWaalsContact O-N 3.09Å; F176-Q178 PolarHBondContact O-N 3.41Å; F176-L179 HydrophobicContact CD1-CD1 4.42Å; F176-L179 PolarHBondContact O-N 2.97Å; F176-M180 WeakPolarHBondContact O-CG 3.46Å; F176-M180 PolarHBondContact O-N 3.14Å; F176-W187 HydrophobicContact CD1-CH2 4.42Å
177E95.1Very high94.4Very high84 Ų8454.1 Ų54.139%0.39328%0.284SS..Hα-helixtrans-59.4-33.7175.2-70.8170.9-17100112.6Q173 K175 M180Q173-E177 WeakPolarHBondContact O-CG 3.38Å; Q173-E177 PolarHBondContact O-N 3.45Å; K175-E177 VanDerWaalsContact C-N 3.33Å; E177-M180 HydrophobicContact CB-CE 4.39Å; E177-M180 HydrophobicContact CG-CE 3.98Å
178Q96.9Very high94.9Very high82 Ų8254.6 Ų54.638%0.38327%0.273SS..Hα-helixtrans-70.8-42.3172.1-68.5172.947.900112.2L126 E174 K175 F176 M180 K181L126-Q178 HydrophobicContact CD1-CB 3.86Å; E174-Q178 WeakPolarHBondContact O-CG 3.46Å; E174-Q178 PolarHBondContact O-N 2.81Å; E174-Q178 PolarHBondContact O-NE2 3.1Å; K175-Q178 WeakPolarHBondContact O-CB 3.5Å; K175-Q178 PolarHBondContact O-N 3.19Å; F176-Q178 PolarHBondContact O-N 3.41Å; Q178-M180 VanDerWaalsContact C-N 3.34Å; Q178-M180 PolarHBondContact O-N 2.98Å; Q178-K181 WeakPolarHBondContact O-CB 3.32Å; Q178-K181 PolarHBondContact O-N 3.43Å
179L97.3Very high95.2Very high8 Ų856.8 Ų56.84%0.04229%0.288CS..Hα-helixtrans-65.9-34.1177.9-69.7170.6000113F112 V115 A116 L126 K175 F176 K181 D182 W187 W223F112-L179 HydrophobicContact CB-CD1 4.26Å; V115-L179 HydrophobicContact CB-CD1 4.12Å; V115-L179 HydrophobicContact CG1-CD1 4.06Å; V115-L179 HydrophobicContact CG1-CD2 3.91Å; V115-L179 HydrophobicContact CG1-CG 4.45Å; A116-L179 HydrophobicContact CB-CD1 4.21Å; L126-L179 HydrophobicContact CD2-CD2 4.42Å; K175-L179 WeakPolarHBondContact O-CG 3.39Å; K175-L179 PolarHBondContact O-N 2.92Å; F176-L179 HydrophobicContact CD1-CD1 4.42Å; F176-L179 PolarHBondContact O-N 2.97Å; L179-K181 PolarHBondContact O-N 2.97Å; L179-D182 VanDerWaalsContact O-CB 3.3Å; L179-D182 WeakPolarHBondContact O-CB 3.41Å; L179-D182 PolarHBondContact O-N 3.18Å; L179-D182 VanDerWaalsContact O-N 3.13Å; L179-W187 HydrophobicContact CB-CZ2 4.19Å; L179-W187 PolarHBondContact O-NE1 3.11Å; L179-W223 HydrophobicContact CD2-CZ2 4.39Å
180M97.1Very high95.6Very high43 Ų4356.3 Ų56.321%0.21229%0.286CS..THydrogen-bonded Turntrans-66.2-14.5177.3-73.3-171.1-66.600113.5F144 F176 E177 Q178 D182 W187 V189F144-M180 HydrophobicContact CB-SD 3.88Å; F144-M180 HydrophobicContact CD1-CE 4.15Å; F144-M180 HydrophobicContact CD1-SD 3.97Å; F144-M180 HydrophobicContact CD2-SD 4.5Å; F144-M180 HydrophobicContact CE1-CE 4.31Å; F144-M180 HydrophobicContact CG-CE 4.46Å; F144-M180 HydrophobicContact CG-SD 3.86Å; F176-M180 WeakPolarHBondContact O-CG 3.46Å; F176-M180 PolarHBondContact O-N 3.14Å; E177-M180 HydrophobicContact CB-CE 4.39Å; E177-M180 HydrophobicContact CG-CE 3.98Å; Q178-M180 VanDerWaalsContact C-N 3.34Å; Q178-M180 PolarHBondContact O-N 2.98Å; M180-D182 VanDerWaalsContact C-N 3.27Å; M180-W187 HydrophobicContact CB-CD2 4.4Å; M180-W187 HydrophobicContact CB-CG 4.43Å; M180-W187 HydrophobicContact CG-CD2 3.72Å; M180-W187 HydrophobicContact CG-CE3 3.7Å; M180-W187 HydrophobicContact CG-CG 4.16Å; M180-W187 HydrophobicContact CG-CH2 4.38Å; M180-W187 HydrophobicContact CG-CZ2 4.39Å; M180-W187 HydrophobicContact CG-CZ3 4.03Å; M180-W187 HydrophobicContact SD-CE3 4.35Å; M180-V189 HydrophobicContact SD-CG2 3.93Å
181K96.8Very high95.8Very high166 Ų16653.9 Ų53.972%0.72228%0.279SS*.THydrogen-bonded Turntrans-77.9-10174.1-63.1174.8-175.2179.60113.3Q178 L179 P183Q178-K181 WeakPolarHBondContact O-CB 3.32Å; Q178-K181 PolarHBondContact O-N 3.43Å; L179-K181 PolarHBondContact O-N 2.97Å; K181-P183 WeakPolarHBondContact O-CD 3.31Å
182D96.4Very high95.8Very high31 Ų3151.9 Ų51.917%0.16627%0.265CS..  trans-72.5107.7178.4-171.8-22.4000110.2K130 L179 M180 S184 V185 W223K130-D182 IonicContact NZ-OD2 3.31Å; K130-D182 PolarHBondContact NZ-OD2 3.46Å; L179-D182 VanDerWaalsContact O-CB 3.3Å; L179-D182 WeakPolarHBondContact O-CB 3.41Å; L179-D182 PolarHBondContact O-N 3.18Å; L179-D182 VanDerWaalsContact O-N 3.13Å; M180-D182 VanDerWaalsContact C-N 3.27Å; D182-S184 VanDerWaalsContact CG-OG 3.32Å; D182-S184 PolarHBondContact O-N 3.34Å; D182-S184 VanDerWaalsContact OD1-CB 3.26Å; D182-S184 WeakPolarHBondContact OD1-CB 3.46Å; D182-S184 PolarHBondContact OD1-N 3.41Å; D182-S184 PolarHBondContact OD1-OG 2.72Å; D182-V185 PolarHBondContact O-N 3.5Å; D182-W223 VanDerWaalsContact OD2-CD1 3.27Å; D182-W223 PolarHBondContact OD2-NE1 3.04Å
183P96.1Very high95.6Very high130 Ų13054.5 Ų54.584%0.84428%0.283SS*.THydrogen-bonded Turntrans-72.1-12-175.432.5-36.4000112.5K181 V185K181-P183 WeakPolarHBondContact O-CD 3.31Å; P183-V185 PolarHBondContact O-N 3.24Å
184S95.8Very high95.4Very high51 Ų5156.8 Ų56.836%0.35729%0.294SS..THydrogen-bonded Turntrans-72.7-16.7177.675.90000112.2K138 D182K138-S184 WeakPolarHBondContact CE-O 3.42Å; K138-S184 PolarHBondContact NZ-O 2.57Å; D182-S184 VanDerWaalsContact CG-OG 3.32Å; D182-S184 PolarHBondContact O-N 3.34Å; D182-S184 VanDerWaalsContact OD1-CB 3.26Å; D182-S184 WeakPolarHBondContact OD1-CB 3.46Å; D182-S184 PolarHBondContact OD1-N 3.41Å; D182-S184 PolarHBondContact OD1-OG 2.72Å
185V97.5Very high95.3Very high9 Ų958.3 Ų58.36%0.05531%0.305CS..SBendtrans-107.1131.5-177.4179.90000110F112 V142 D182 P183 W187 L222F112-V185 HydrophobicContact CE1-CG1 4.16Å; F112-V185 HydrophobicContact CE1-CG2 4.16Å; F112-V185 HydrophobicContact CZ-CG1 3.88Å; F112-V185 HydrophobicContact CZ-CG2 4.39Å; V142-V185 HydrophobicContact CB-CG1 4.16Å; V142-V185 HydrophobicContact CG2-CG1 3.51Å; D182-V185 PolarHBondContact O-N 3.5Å; P183-V185 PolarHBondContact O-N 3.24Å; V185-W187 VanDerWaalsContact C-N 3.3Å; V185-W187 HydrophobicContact CG1-CD2 4.17Å; V185-W187 HydrophobicContact CG1-CG 4.14Å; V185-W187 HydrophobicContact CG1-CZ2 4.32Å; V185-W187 PolarHBondContact O-N 2.89Å; V185-L222 HydrophobicContact CG2-CD1 4.22Å
186N97.8Very high95.2Very high61 Ų6159.5 Ų59.533%0.32632%0.316SS..  trans-77.379.8177-176.817.2000110.9D140 V142D140-N186 WeakPolarHBondContact O-CB 3.26Å; D140-N186 PolarHBondContact O-ND2 3.43Å; V142-N186 PolarHBondContact N-O 2.65Å
187W98.4Very high95.2Very high30 Ų3064.7 Ų64.711%0.11434%0.34CS..EExtended strand (participates in β ladder)trans-78.7138.4177-70.7101.4000112.1E24 F112 V142 F144 F176 L179 M180 V185E24-W187 HydrophobicContact CB-CZ3 4.43Å; F112-W187 HydrophobicContact CB-CH2 3.93Å; F112-W187 HydrophobicContact CB-CZ2 4.46Å; F112-W187 AromaticContact CD1-CH2 3.75Å; F112-W187 HydrophobicContact CD1-CH2 3.75Å; F112-W187 AromaticContact CD1-CZ2 3.46Å; F112-W187 HydrophobicContact CD1-CZ2 3.46Å; F112-W187 VanDerWaalsContact CD1-CZ2 3.46Å; F112-W187 HydrophobicContact CD2-CH2 4.06Å; F112-W187 HydrophobicContact CD2-CZ2 4.44Å; F112-W187 HydrophobicContact CE1-CH2 4.29Å; F112-W187 AromaticContact CE1-CZ2 3.72Å; F112-W187 HydrophobicContact CE1-CZ2 3.72Å; F112-W187 AromaticContact CG-CH2 3.63Å; F112-W187 HydrophobicContact CG-CH2 3.63Å; F112-W187 AromaticContact CG-CZ2 3.87Å; F112-W187 HydrophobicContact CG-CZ2 3.87Å; F112-W187 HydrophobicContact CZ-CZ2 4.31Å; V142-W187 HydrophobicContact CB-CD2 4.15Å; V142-W187 HydrophobicContact CB-CE3 3.82Å; V142-W187 HydrophobicContact CB-CZ3 4.04Å; V142-W187 HydrophobicContact CG1-CD2 4.25Å; V142-W187 HydrophobicContact CG1-CE3 3.55Å; V142-W187 HydrophobicContact CG1-CH2 3.68Å; V142-W187 HydrophobicContact CG1-CZ2 4.35Å; V142-W187 HydrophobicContact CG1-CZ3 3.24Å; V142-W187 CarbonylContact O-C 3.58Å; V142-W187 WeakPolarHBondContact O-CA 3.23Å; F144-W187 HydrophobicContact CB-CE3 4.27Å; F144-W187 HydrophobicContact CB-CZ3 4.21Å; F176-W187 HydrophobicContact CD1-CH2 4.42Å; L179-W187 HydrophobicContact CB-CZ2 4.19Å; L179-W187 PolarHBondContact O-NE1 3.11Å; M180-W187 HydrophobicContact CB-CD2 4.4Å; M180-W187 HydrophobicContact CB-CG 4.43Å; M180-W187 HydrophobicContact CG-CD2 3.72Å; M180-W187 HydrophobicContact CG-CE3 3.7Å; M180-W187 HydrophobicContact CG-CG 4.16Å; M180-W187 HydrophobicContact CG-CH2 4.38Å; M180-W187 HydrophobicContact CG-CZ2 4.39Å; M180-W187 HydrophobicContact CG-CZ3 4.03Å; M180-W187 HydrophobicContact SD-CE3 4.35Å; V185-W187 VanDerWaalsContact C-N 3.3Å; V185-W187 HydrophobicContact CG1-CD2 4.17Å; V185-W187 HydrophobicContact CG1-CG 4.14Å; V185-W187 HydrophobicContact CG1-CZ2 4.32Å; V185-W187 PolarHBondContact O-N 2.89Å
188K97.9Very high95.2Very high83 Ų8361.5 Ų61.536%0.36133%0.33SS..EExtended strand (participates in β ladder)trans-130.7124.7165.7-62.6-63.4169.1-166.60109.5L141 V142 M143 F144L141-K188 HydrophobicContact CD1-CB 4.12Å; L141-K188 HydrophobicContact CD1-CG 3.5Å; L141-K188 VanDerWaalsContact CD1-CG 3.5Å; V142-K188 PolarHBondContact O-N 3.09Å; M143-K188 CarbonylContact C-O 3.57Å; M143-K188 VanDerWaalsContact CA-O 3.25Å; M143-K188 WeakPolarHBondContact CA-O 3.32Å; M143-K188 HydrophobicContact CG-CB 4.16Å; F144-K188 PolarHBondContact N-O 2.95Å
189V96.6Very high95.2Very high77 Ų7757.8 Ų57.847%0.46731%0.313SS..EExtended strand (participates in β ladder)trans-85.8127.5173.9-178.40000108Q146 M180Q146-V189 HydrophobicContact CB-CG1 3.74Å; Q146-V189 HydrophobicContact CG-CG1 4.49Å; M180-V189 HydrophobicContact SD-CG2 3.93Å
190I96.1Very high95.2Very high3 Ų358.3 Ų58.32%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-111.3124.1177.6-53.7-60.6000107.6M143 F144 L145 Q146 A192 V199 D202 I203M143-I190 HydrophobicContact CB-CG1 3.98Å; M143-I190 HydrophobicContact CG-CD1 4.31Å; M143-I190 HydrophobicContact CG-CG1 4.12Å; M143-I190 HydrophobicContact SD-CD1 4.33Å; M143-I190 HydrophobicContact SD-CG1 4.38Å; F144-I190 PolarHBondContact O-N 3.26Å; L145-I190 HydrophobicContact CD1-CB 4.46Å; Q146-I190 PolarHBondContact N-O 3.19Å; I190-A192 PolarHBondContact O-N 2.64Å; I190-V199 HydrophobicContact CG2-CG1 3.97Å; I190-D202 HydrophobicContact CD1-CB 4.42Å; I190-D202 HydrophobicContact CG2-CB 4.35Å; I190-I203 HydrophobicContact CG1-CG1 4.15Å; I190-I203 HydrophobicContact CG2-CG1 4.13Å
191D92.9Very high95.2Very high76 Ų7658.6 Ų58.641%0.40632%0.324SS..EExtended strand (participates in β ladder)trans-68.8104171.8177.39000109.5S193 Q194D191-S193 VanDerWaalsContact C-N 3.32Å; D191-S193 VanDerWaalsContact CG-OG 3.28Å; D191-S193 WeakPolarHBondContact OD1-CB 3.12Å; D191-S193 PolarHBondContact OD1-N 2.82Å; D191-S193 PolarHBondContact OD1-OG 3.39Å; D191-S193 PolarHBondContact OD2-OG 3.44Å; D191-Q194 PolarHBondContact O-NE2 2.95Å
192A91.2Very high95.2Very high0 Ų053.6 Ų53.60%031%0.305CS..THydrogen-bonded Turntrans-88.43.5-178.500000113.2L145 Q146 L147 R155 I190 Q194L145-A192 HydrophobicContact CB-CB 3.94Å; L145-A192 HydrophobicContact CG-CB 4.35Å; Q146-A192 WeakPolarHBondContact O-CA 3.49Å; Q146-A192 VanDerWaalsContact O-CB 3.28Å; Q146-A192 WeakPolarHBondContact O-CB 3.25Å; Q146-A192 PolarHBondContact O-N 3.28Å; L147-A192 HydrophobicContact CB-CB 4.31Å; R155-A192 PolarHBondContact NH2-O 2.89Å; I190-A192 PolarHBondContact O-N 2.64Å; A192-Q194 VanDerWaalsContact C-N 3.29Å
193S88.4Confident95.3Very high54 Ų5452.1 Ų52.138%0.37830%0.297SS..THydrogen-bonded Turntrans-73-22.8175.373.80000112.7D191D191-S193 VanDerWaalsContact C-N 3.32Å; D191-S193 VanDerWaalsContact CG-OG 3.28Å; D191-S193 WeakPolarHBondContact OD1-CB 3.12Å; D191-S193 PolarHBondContact OD1-N 2.82Å; D191-S193 PolarHBondContact OD1-OG 3.39Å; D191-S193 PolarHBondContact OD2-OG 3.44Å
194Q89.8Confident95.4Very high75 Ų7550.9 Ų50.935%0.3528%0.276SS..SBendtrans-61.5167.9175.7-58-17967.800112.7D191 A192 V199 D202D191-Q194 PolarHBondContact O-NE2 2.95Å; A192-Q194 VanDerWaalsContact C-N 3.29Å; Q194-V199 HydrophobicContact CB-CG2 3.82Å; Q194-D202 PolarHBondContact NE2-OD2 3.36Å
195N91.8Very high95.5Very high115 Ų11552.1 Ų52.162%0.61528%0.281SS*.  trans-64.9160.7170.973.148.6000111.4E197 G198 V199N195-E197 PolarHBondContact O-N 2.95Å; N195-E197 VanDerWaalsContact O-N 3.15Å; N195-E197 PolarHBondContact OD1-N 3.49Å; N195-E197 VanDerWaalsContact OD1-N 3.15Å; N195-G198 PolarHBondContact O-N 3.41Å; N195-G198 VanDerWaalsContact O-N 3.13Å; N195-G198 PolarHBondContact OD1-N 3.07Å; N195-V199 WeakPolarHBondContact O-CG2 3.21Å; N195-V199 PolarHBondContact O-N 3.33Å; N195-V199 VanDerWaalsContact O-N 3.09Å
196V92.9Very high95.6Very high72 Ų7254.6 Ų54.644%0.43629%0.292SS..Hα-helixtrans-56.1-37-172.81770000112.9T33 Q34 K37 H200T33-V196 HydrophobicContact CG2-CG1 4.12Å; Q34-V196 PolarHBondContact NE2-O 3.14Å; K37-V196 HydrophobicContact CD-CG1 3.8Å; V196-H200 VanDerWaalsContact O-CB 3.26Å; V196-H200 WeakPolarHBondContact O-CB 3.29Å; V196-H200 PolarHBondContact O-N 3.29Å
197E96.3Very high95.6Very high109 Ų10951.7 Ų51.751%0.50928%0.277SS..Hα-helixtrans-75.9-37.1-179.2-60.2-51.4136.800112.6K37 N195 H200 A201K37-E197 WeakPolarHBondContact CE-OE1 3.3Å; K37-E197 WeakPolarHBondContact CE-OE2 3.35Å; K37-E197 IonicContact NZ-OE1 3.06Å; K37-E197 PolarHBondContact NZ-OE1 3.23Å; K37-E197 IonicContact NZ-OE2 3.77Å; K37-E197 PolarHBondContact NZ-OE2 3.36Å; N195-E197 PolarHBondContact O-N 2.95Å; N195-E197 VanDerWaalsContact O-N 3.15Å; N195-E197 PolarHBondContact OD1-N 3.49Å; N195-E197 VanDerWaalsContact OD1-N 3.15Å; E197-H200 WeakPolarHBondContact O-CB 3.48Å; E197-H200 PolarHBondContact O-N 3.19Å; E197-A201 PolarHBondContact O-N 3.42Å
198G95.9Very high95.6Very high17 Ų1752 Ų5218%0.17528%0.28CS..Hα-helixtrans-60.9-51.8173.400000111.4N195 H200 A201 D202N195-G198 PolarHBondContact O-N 3.41Å; N195-G198 VanDerWaalsContact O-N 3.13Å; N195-G198 PolarHBondContact OD1-N 3.07Å; G198-H200 PolarHBondContact O-N 3.45Å; G198-A201 PolarHBondContact O-N 3.34Å; G198-A201 VanDerWaalsContact O-N 3.12Å; G198-D202 PolarHBondContact O-N 3.26Å
199V95.8Very high95.6Very high4 Ų451.8 Ų51.82%0.02428%0.283CS..Hα-helixtrans-57-40.3174.3-1800000111.3Q34 I190 Q194 N195 I203Q34-V199 HydrophobicContact CG-CG1 3.98Å; I190-V199 HydrophobicContact CG2-CG1 3.97Å; Q194-V199 HydrophobicContact CB-CG2 3.82Å; N195-V199 WeakPolarHBondContact O-CG2 3.21Å; N195-V199 PolarHBondContact O-N 3.33Å; N195-V199 VanDerWaalsContact O-N 3.09Å; V199-I203 HydrophobicContact CG1-CD1 3.75Å; V199-I203 HydrophobicContact CG1-CG1 4.49Å; V199-I203 WeakPolarHBondContact O-CB 3.44Å; V199-I203 VanDerWaalsContact O-CG1 3.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 2.86Å; V199-I203 VanDerWaalsContact O-N 3.09Å
200H97.9Very high95.6Very high19 Ų1948.3 Ų48.39%0.08826%0.262CS..Hα-helixtrans-65.7-40.7179179.156.8000112.5Q34 K37 V196 E197 G198 D202 I203 R204Q34-H200 VanDerWaalsContact OE1-CA 3.24Å; Q34-H200 VanDerWaalsContact OE1-CB 3.25Å; K37-H200 VanDerWaalsContact C-CE1 3.47Å; K37-H200 HydrophobicContact CD-CB 4.49Å; K37-H200 VanDerWaalsContact CE-CG 3.43Å; K37-H200 PolarHBondContact O-CE1 3.36Å; V196-H200 VanDerWaalsContact O-CB 3.26Å; V196-H200 WeakPolarHBondContact O-CB 3.29Å; V196-H200 PolarHBondContact O-N 3.29Å; E197-H200 WeakPolarHBondContact O-CB 3.48Å; E197-H200 PolarHBondContact O-N 3.19Å; G198-H200 PolarHBondContact O-N 3.45Å; H200-D202 VanDerWaalsContact C-N 3.35Å; H200-I203 PolarHBondContact O-N 2.84Å; H200-R204 VanDerWaalsContact O-CB 3.24Å; H200-R204 WeakPolarHBondContact O-CB 3.3Å; H200-R204 PolarHBondContact O-N 2.75Å
201A97.5Very high95.6Very high49 Ų4949 Ų4941%0.40527%0.266SS..Hα-helixtrans-61.8-42.9178.800000111.7E197 G198 R204 T205E197-A201 PolarHBondContact O-N 3.42Å; G198-A201 PolarHBondContact O-N 3.34Å; G198-A201 VanDerWaalsContact O-N 3.12Å; A201-R204 PolarHBondContact O-N 3.25Å; A201-T205 WeakPolarHBondContact O-CB 3.12Å; A201-T205 PolarHBondContact O-N 3.31Å; A201-T205 PolarHBondContact O-OG1 2.88Å
202D97.3Very high95.7Very high60 Ų6048.7 Ų48.732%0.32126%0.264SS..Hα-helixtrans-63.1-50.3176.3-67.9-17.7000111I190 Q194 G198 H200 R204 T205 H206I190-D202 HydrophobicContact CD1-CB 4.42Å; I190-D202 HydrophobicContact CG2-CB 4.35Å; Q194-D202 PolarHBondContact NE2-OD2 3.36Å; G198-D202 PolarHBondContact O-N 3.26Å; H200-D202 VanDerWaalsContact C-N 3.35Å; D202-R204 VanDerWaalsContact C-N 3.32Å; D202-R204 PolarHBondContact O-N 3.08Å; D202-T205 PolarHBondContact O-N 3.34Å; D202-H206 PolarHBondContact O-CD2 3.27Å; D202-H206 VanDerWaalsContact O-CD2 3.25Å; D202-H206 PolarHBondContact O-N 3.47Å
203I98.2Very high95.9Very high0 Ų054.9 Ų54.90%029%0.293CS..Hα-helixtrans-57.4-45.7177.7-74.4172.5000111.1L23 Q34 L38 M143 L145 I190 V199 H200 S207L23-I203 HydrophobicContact CD2-CD1 4.01Å; Q34-I203 HydrophobicContact CB-CD1 3.56Å; Q34-I203 HydrophobicContact CG-CD1 3.62Å; L38-I203 HydrophobicContact CB-CG2 4.43Å; L38-I203 HydrophobicContact CD1-CG2 4.43Å; L38-I203 HydrophobicContact CD2-CG2 3.91Å; L38-I203 HydrophobicContact CG-CG2 4.49Å; M143-I203 HydrophobicContact CE-CG2 3.79Å; M143-I203 HydrophobicContact SD-CB 4.14Å; M143-I203 HydrophobicContact SD-CG1 4.01Å; M143-I203 HydrophobicContact SD-CG2 4.03Å; L145-I203 HydrophobicContact CD1-CD1 4.09Å; L145-I203 HydrophobicContact CD2-CD1 4.38Å; L145-I203 HydrophobicContact CG-CD1 4.43Å; I190-I203 HydrophobicContact CG1-CG1 4.15Å; I190-I203 HydrophobicContact CG2-CG1 4.13Å; V199-I203 HydrophobicContact CG1-CD1 3.75Å; V199-I203 HydrophobicContact CG1-CG1 4.49Å; V199-I203 WeakPolarHBondContact O-CB 3.44Å; V199-I203 VanDerWaalsContact O-CG1 3.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 2.86Å; V199-I203 VanDerWaalsContact O-N 3.09Å; H200-I203 PolarHBondContact O-N 2.84Å; I203-S207 VanDerWaalsContact O-CB 3.25Å; I203-S207 WeakPolarHBondContact O-CB 3.38Å; I203-S207 PolarHBondContact O-N 2.85Å; I203-S207 PolarHBondContact O-OG 3.14Å
204R98.1Very high96.1Very high105 Ų10552.8 Ų52.840%0.39628%0.278SS..Hα-helixtrans-63.4-43179.5-179.6175.8174.8-110.31.1111.3L38 H200 A201 D202 S207 L208L38-R204 HydrophobicContact CD1-CB 4.37Å; H200-R204 VanDerWaalsContact O-CB 3.24Å; H200-R204 WeakPolarHBondContact O-CB 3.3Å; H200-R204 PolarHBondContact O-N 2.75Å; A201-R204 PolarHBondContact O-N 3.25Å; D202-R204 VanDerWaalsContact C-N 3.32Å; D202-R204 PolarHBondContact O-N 3.08Å; R204-S207 PolarHBondContact O-N 3.36Å; R204-L208 HydrophobicContact CG-CD1 4.11Å; R204-L208 HydrophobicContact CG-CG 4.46Å; R204-L208 WeakPolarHBondContact O-CG 3.25Å; R204-L208 PolarHBondContact O-N 3.47Å
205T98.1Very high96.1Very high76 Ų7651.5 Ų51.547%0.46627%0.272SS..Hα-helixtrans-60.9-51.3179.6-60.50000111.1A201 D202 S207 L208 N209A201-T205 WeakPolarHBondContact O-CB 3.12Å; A201-T205 PolarHBondContact O-N 3.31Å; A201-T205 PolarHBondContact O-OG1 2.88Å; D202-T205 PolarHBondContact O-N 3.34Å; T205-S207 VanDerWaalsContact C-N 3.32Å; T205-S207 PolarHBondContact O-N 2.88Å; T205-L208 PolarHBondContact O-N 3.32Å; T205-N209 PolarHBondContact O-N 2.89Å
206H98.3Very high96Very high62 Ų6252 Ų5229%0.28728%0.275SS..Hα-helixtrans-62.7-38.9177.1-71.8-58.7000112.7L141 M143 D202 N209 A210L141-H206 HydrophobicContact CD2-CB 3.98Å; M143-H206 HydrophobicContact SD-CB 4.08Å; D202-H206 PolarHBondContact O-CD2 3.27Å; D202-H206 VanDerWaalsContact O-CD2 3.25Å; D202-H206 PolarHBondContact O-N 3.47Å; H206-N209 PolarHBondContact O-N 2.95Å; H206-A210 PolarHBondContact O-N 2.76Å
207S98.3Very high96.1Very high0 Ų053.9 Ų53.90%028%0.28CS..Hα-helixtrans-63.2-43.6178.4-61.70000112.4L38 I203 R204 T205 N209 A210 I211L38-S207 VanDerWaalsContact CD2-OG 3.23Å; L38-S207 WeakPolarHBondContact CD2-OG 3.33Å; I203-S207 VanDerWaalsContact O-CB 3.25Å; I203-S207 WeakPolarHBondContact O-CB 3.38Å; I203-S207 PolarHBondContact O-N 2.85Å; I203-S207 PolarHBondContact O-OG 3.14Å; R204-S207 PolarHBondContact O-N 3.36Å; T205-S207 VanDerWaalsContact C-N 3.32Å; T205-S207 PolarHBondContact O-N 2.88Å; S207-N209 VanDerWaalsContact C-N 3.34Å; S207-N209 PolarHBondContact O-N 3.24Å; S207-A210 PolarHBondContact O-N 3.27Å; S207-I211 WeakPolarHBondContact O-CD1 3.38Å; S207-I211 VanDerWaalsContact O-CG1 3.22Å; S207-I211 WeakPolarHBondContact O-CG1 3.3Å; S207-I211 PolarHBondContact O-N 3.28Å
208L97.9Very high96Very high36 Ų3654.1 Ų54.119%0.18829%0.291CS..Hα-helixtrans-64.2-39.8178.3-72.7172.7000111.9L42 R204 T205 I211 N212L42-L208 HydrophobicContact CD2-CD2 3.95Å; R204-L208 HydrophobicContact CG-CD1 4.11Å; R204-L208 HydrophobicContact CG-CG 4.46Å; R204-L208 WeakPolarHBondContact O-CG 3.25Å; R204-L208 PolarHBondContact O-N 3.47Å; T205-L208 PolarHBondContact O-N 3.32Å; L208-I211 PolarHBondContact O-N 2.88Å; L208-N212 PolarHBondContact O-N 3.08Å; L208-N212 VanDerWaalsContact O-N 3.08Å; L208-N212 PolarHBondContact O-ND2 3.23Å; L208-N212 VanDerWaalsContact O-ND2 3.16Å
209N97.3Very high96.1Very high79 Ų7955.5 Ų55.542%0.42230%0.295SS..Hα-helixtrans-62.1-49.1175.1-66.9-12.6000110.8T205 H206 S207 I211 N212 E213T205-N209 PolarHBondContact O-N 2.89Å; H206-N209 PolarHBondContact O-N 2.95Å; S207-N209 VanDerWaalsContact C-N 3.34Å; S207-N209 PolarHBondContact O-N 3.24Å; N209-I211 PolarHBondContact O-N 2.72Å; N209-N212 PolarHBondContact O-N 3.11Å; N209-N212 VanDerWaalsContact O-N 3.14Å; N209-E213 WeakPolarHBondContact O-CG 3.48Å; N209-E213 PolarHBondContact O-N 2.63Å
210A97.3Very high96.1Very high3 Ų356.8 Ų56.83%0.02531%0.308CS..Hα-helixtrans-60.3-42178.400000112.7L141 H206 S207 N212 E213 T214L141-A210 HydrophobicContact CB-CB 3.86Å; L141-A210 HydrophobicContact CD2-CB 3.99Å; L141-A210 HydrophobicContact CG-CB 4.5Å; H206-A210 PolarHBondContact O-N 2.76Å; S207-A210 PolarHBondContact O-N 3.27Å; A210-N212 VanDerWaalsContact C-N 3.32Å; A210-N212 PolarHBondContact O-N 3.06Å; A210-E213 PolarHBondContact O-N 3.11Å; A210-T214 WeakPolarHBondContact O-CB 3.26Å; A210-T214 VanDerWaalsContact O-CG2 3.24Å; A210-T214 WeakPolarHBondContact O-CG2 3.09Å; A210-T214 PolarHBondContact O-N 2.7Å; A210-T214 VanDerWaalsContact O-N 3.08Å; A210-T214 PolarHBondContact O-OG1 3.39Å
211I96.9Very high96.1Very high17 Ų1760.3 Ų60.39%0.08733%0.325CS..Hα-helixtrans-60.2-43.4175.9-69.4162.4000110.9A19 I21 L42 T104 S207 L208 N209 Q215A19-I211 HydrophobicContact CB-CB 4.49Å; A19-I211 HydrophobicContact CB-CG1 3.76Å; I21-I211 HydrophobicContact CD1-CD1 4.28Å; I21-I211 HydrophobicContact CD1-CG1 4.17Å; L42-I211 HydrophobicContact CD1-CD1 4.12Å; L42-I211 HydrophobicContact CD2-CD1 3.74Å; T104-I211 HydrophobicContact CG2-CD1 4.09Å; T104-I211 HydrophobicContact CG2-CG1 4.22Å; S207-I211 WeakPolarHBondContact O-CD1 3.38Å; S207-I211 VanDerWaalsContact O-CG1 3.22Å; S207-I211 WeakPolarHBondContact O-CG1 3.3Å; S207-I211 PolarHBondContact O-N 3.28Å; L208-I211 PolarHBondContact O-N 2.88Å; N209-I211 PolarHBondContact O-N 2.72Å; I211-Q215 PolarHBondContact O-N 3.27Å
212N95.3Very high96.2Very high71 Ų7158 Ų5838%0.3831%0.306SS..Hα-helixtrans-71.3-34.8-178.3-67.2-26.2000112.5R47 L208 N209 A210 Q215R47-N212 PolarHBondContact NH1-OD1 3.38Å; L208-N212 PolarHBondContact O-N 3.08Å; L208-N212 VanDerWaalsContact O-N 3.08Å; L208-N212 PolarHBondContact O-ND2 3.23Å; L208-N212 VanDerWaalsContact O-ND2 3.16Å; N209-N212 PolarHBondContact O-N 3.11Å; N209-N212 VanDerWaalsContact O-N 3.14Å; A210-N212 VanDerWaalsContact C-N 3.32Å; A210-N212 PolarHBondContact O-N 3.06Å; N212-Q215 WeakPolarHBondContact O-CG 3.49Å; N212-Q215 PolarHBondContact O-NE2 3.32Å
213E94.4Very high96.2Very high129 Ų12956.7 Ų56.760%0.60330%0.296SS*.Hα-helixtrans-73.3-34.7179.3-72.1168.9-171.600112.4N209 A210N209-E213 WeakPolarHBondContact O-CG 3.48Å; N209-E213 PolarHBondContact O-N 2.63Å; A210-E213 PolarHBondContact O-N 3.11Å
214T93.1Very high95.9Very high10 Ų1065.6 Ų65.66%0.06134%0.335CS..Hα-helixtrans-97.2-12.3-16760.30000115.2D140 A210 N216 M217D140-T214 HydrophobicContact CB-CG2 3.62Å; D140-T214 WeakPolarHBondContact OD1-CG2 3.46Å; A210-T214 WeakPolarHBondContact O-CB 3.26Å; A210-T214 VanDerWaalsContact O-CG2 3.24Å; A210-T214 WeakPolarHBondContact O-CG2 3.09Å; A210-T214 PolarHBondContact O-N 2.7Å; A210-T214 VanDerWaalsContact O-N 3.08Å; A210-T214 PolarHBondContact O-OG1 3.39Å; T214-N216 PolarHBondContact O-N 2.82Å; T214-M217 PolarHBondContact O-N 3.16Å
215Q89.7Confident95.8Very high48 Ų4863.7 Ų63.722%0.22433%0.332CS..THydrogen-bonded Turntrans-52.6-25.4-17763.7-173.9-52.700114.9K16 R17 I211 N212K16-Q215 VanDerWaalsContact CA-O 3.32Å; K16-Q215 WeakPolarHBondContact CA-O 2.89Å; K16-Q215 HydrophobicContact CB-CB 4.15Å; K16-Q215 HydrophobicContact CD-CB 4.34Å; K16-Q215 HydrophobicContact CD-CG 4.46Å; K16-Q215 HydrophobicContact CG-CB 4.21Å; R17-Q215 PolarHBondContact N-O 2.74Å; I211-Q215 PolarHBondContact O-N 3.27Å; N212-Q215 WeakPolarHBondContact O-CG 3.49Å; N212-Q215 PolarHBondContact O-NE2 3.32Å
216N90.4Very high95.7Very high126 Ų12663 Ų6367%0.67433%0.325SS*.THydrogen-bonded Turntrans-113.74179.9-58.5-38.7000113.6T214T214-N216 PolarHBondContact O-N 2.82Å
217M93.2Very high95.5Very high111 Ų11163.1 Ų63.155%0.54733%0.327SS..SBendtrans-97.1146.9179.6-62.7-177.975.600109.7R17 T214R17-M217 PolarHBondContact NE-O 3.29Å; T214-M217 PolarHBondContact O-N 3.16Å
218P95.4Very high95.4Very high115 Ų11566.8 Ų66.875%0.74735%0.346SS*.PPolyproline II helixtrans-63.1156.5170.327.8-33.9000110.9R17 G220R17-P218 PolarHBondContact NH2-O 2.86Å; P218-G220 PolarHBondContact O-N 3.23Å
219L96.9Very high95.2Very high46 Ų4668.7 Ų68.724%0.24136%0.356CS..PPolyproline II helixtrans-71.8124.4170.2-179.564.3000108.9K96 L99 P137K96-L219 HydrophobicContact CG-CD2 4.12Å; L99-L219 HydrophobicContact CD1-CD1 4.07Å; L99-L219 HydrophobicContact CD1-CD2 3.83Å; P137-L219 HydrophobicContact CB-CD1 4.44Å; P137-L219 HydrophobicContact CB-CD2 4.07Å; P137-L219 HydrophobicContact CG-CD2 4.48Å
220G97.3Very high95.1Very high30 Ų3068 Ų6831%0.30935%0.352SS..PPolyproline II helixtrans-77.4172.9179.400000113.6K138 P218K138-G220 VanDerWaalsContact CB-O 3.3Å; K138-G220 WeakPolarHBondContact CB-O 3.31Å; K138-G220 PolarHBondContact N-O 3.02Å; P218-G220 PolarHBondContact O-N 3.23Å
221E98.3Very high94.9Very high94 Ų9472.6 Ų72.644%0.43938%0.375SS..BIsolated β-bridgetrans-109132172.5-68-179.597.300109.7K224E221-K224 HydrophobicContact CB-CB 3.99Å; E221-K224 HydrophobicContact CB-CD 3.88Å; E221-K224 VanDerWaalsContact CD-CD 3.43Å; E221-K224 HydrophobicContact CG-CD 4.29Å; E221-K224 WeakPolarHBondContact OE1-CD 3.21Å; E221-K224 IonicContact OE1-NZ 2.77Å; E221-K224 PolarHBondContact OE1-NZ 2.85Å; E221-K224 VanDerWaalsContact OE2-CD 3.26Å; E221-K224 WeakPolarHBondContact OE2-CD 3.46Å; E221-K224 IonicContact OE2-NZ 2.7Å; E221-K224 PolarHBondContact OE2-NZ 3.02Å
222L98.6Very high94.8Very high0 Ų076.9 Ų76.90%040%0.397CS..THydrogen-bonded Turntrans-74.2130.9-175.8-176.963.7000110.8Y110 A111 F112 V134 G135 L136 K138 V185 K224Y110-L222 HydrophobicContact CE1-CD2 4.46Å; A111-L222 HydrophobicContact CB-CD2 3.62Å; F112-L222 HydrophobicContact CE1-CD1 4.25Å; F112-L222 HydrophobicContact CZ-CD1 4.12Å; V134-L222 WeakPolarHBondContact CA-O 3.32Å; G135-L222 PolarHBondContact N-O 3.13Å; L136-L222 HydrophobicContact CB-CB 4.3Å; L136-L222 HydrophobicContact CB-CD2 4.44Å; L136-L222 WeakPolarHBondContact O-CB 3.19Å; L136-L222 PolarHBondContact O-N 3.28Å; K138-L222 HydrophobicContact CB-CB 4.49Å; K138-L222 HydrophobicContact CG-CD1 4.48Å; V185-L222 HydrophobicContact CG2-CD1 4.22Å; L222-K224 PolarHBondContact O-N 2.67Å
223W97.7Very high94.7Very high33 Ų3377.4 Ų77.413%0.12540%0.399CS..THydrogen-bonded Turntrans54.230.7175.9-56.8-38.9000115.6A111 F112 V115 K130 D133 V134 L179 D182A111-W223 HydrophobicContact CB-CH2 3.95Å; A111-W223 HydrophobicContact CB-CZ3 4.11Å; F112-W223 HydrophobicContact CD1-CH2 4.29Å; F112-W223 AromaticContact CD1-CZ2 3.7Å; F112-W223 HydrophobicContact CD1-CZ2 3.7Å; F112-W223 AromaticContact CE1-CZ2 3.71Å; F112-W223 HydrophobicContact CE1-CZ2 3.71Å; V115-W223 HydrophobicContact CG2-CH2 3.52Å; V115-W223 HydrophobicContact CG2-CZ3 3.84Å; K130-W223 HydrophobicContact CB-CD2 4.35Å; K130-W223 HydrophobicContact CB-CE3 3.77Å; K130-W223 HydrophobicContact CB-CZ3 3.88Å; K130-W223 HydrophobicContact CD-CD2 4.37Å; K130-W223 VanDerWaalsContact CE-CE2 3.42Å; K130-W223 VanDerWaalsContact CE-CG 3.4Å; K130-W223 HydrophobicContact CG-CD2 4.22Å; K130-W223 HydrophobicContact CG-CE3 3.95Å; K130-W223 HydrophobicContact CG-CH2 4Å; K130-W223 HydrophobicContact CG-CZ2 4.22Å; K130-W223 HydrophobicContact CG-CZ3 3.82Å; D133-W223 HydrophobicContact CB-CE3 4.3Å; D133-W223 HydrophobicContact CB-CZ3 3.82Å; V134-W223 HydrophobicContact CG2-CB 4.03Å; L179-W223 HydrophobicContact CD2-CZ2 4.39Å; D182-W223 VanDerWaalsContact OD2-CD1 3.27Å; D182-W223 PolarHBondContact OD2-NE1 3.04Å
224K91.7Very high94.7Very high187 Ų18772.7 Ų72.781%0.81338%0.38SS*.  trans-1110177.3-166.7-175.4-178.7-174.70111.1V134 E221 L222V134-K224 HydrophobicContact CG1-CB 4.39Å; E221-K224 HydrophobicContact CB-CB 3.99Å; E221-K224 HydrophobicContact CB-CD 3.88Å; E221-K224 VanDerWaalsContact CD-CD 3.43Å; E221-K224 HydrophobicContact CG-CD 4.29Å; E221-K224 WeakPolarHBondContact OE1-CD 3.21Å; E221-K224 IonicContact OE1-NZ 2.77Å; E221-K224 PolarHBondContact OE1-NZ 2.85Å; E221-K224 VanDerWaalsContact OE2-CD 3.26Å; E221-K224 WeakPolarHBondContact OE2-CD 3.46Å; E221-K224 IonicContact OE2-NZ 2.7Å; E221-K224 PolarHBondContact OE2-NZ 3.02Å; L222-K224 PolarHBondContact O-N 2.67Å

Retrieved 224 of 224 residues in 372.8 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).