A0A2K5YUE4_MANLE Loading...

Dimethylarginine dimethylaminohydrolase 1

AlphaFold DB , UniProt , Accession A0A2K5YUE4, Species MANLE (Mandrillus leucophaeus, Drill), Gene DDAH1, Length 185 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
1M68.1Low92.4Very high190 Ų190103.8 Ų103.894%0.93653%0.527SS*.  0-50.20-165.9-176.8-64.300110.9D3 M4 M5M1-D3 PolarHBondContact O-N 3.42Å; M1-M4 PolarHBondContact O-N 3.48Å; M1-M5 PolarHBondContact O-N 2.98Å
2V80.8Confident92.7Very high118 Ų118101 Ų10172%0.71551%0.513SS*.Hα-helixtrans-58-45.4176.9179.80000112.1M4 M5 K6V2-M4 PolarHBondContact O-N 3.01Å; V2-M5 PolarHBondContact O-N 3.46Å; V2-M5 VanDerWaalsContact O-N 3.16Å; V2-K6 PolarHBondContact O-N 2.97Å
3D91.4Very high93Very high119 Ų119104.2 Ų104.264%0.63653%0.525SS*.Hα-helixtrans-60.7-46.1179.7-50.6-43.4000112.5M1 M5 K6 E7M1-D3 PolarHBondContact O-N 3.42Å; D3-M5 VanDerWaalsContact C-N 3.34Å; D3-M5 PolarHBondContact O-N 3.41Å; D3-K6 WeakPolarHBondContact O-CB 3.39Å; D3-K6 PolarHBondContact O-N 3.46Å; D3-E7 WeakPolarHBondContact O-CG 3.4Å; D3-E7 PolarHBondContact O-N 3.09Å
4M96.3Very high93.2Very high136 Ų136101.5 Ų101.567%0.6751%0.512SS*.Hα-helixtrans-62.9-38.3175.9-76.817038.900112.8M1 V2 A8M1-M4 PolarHBondContact O-N 3.48Å; V2-M4 PolarHBondContact O-N 3.01Å; M4-A8 WeakPolarHBondContact O-CB 2.97Å; M4-A8 PolarHBondContact O-N 2.72Å
5M97Very high93.5Very high81 Ų81105.9 Ų105.940%0.39954%0.538SS..Hα-helixtrans-65.1-47.3176.8-179.258.169.300110.1M1 V2 D3 E7 A8 L9 V177M1-M5 PolarHBondContact O-N 2.98Å; V2-M5 PolarHBondContact O-N 3.46Å; V2-M5 VanDerWaalsContact O-N 3.16Å; D3-M5 VanDerWaalsContact C-N 3.34Å; D3-M5 PolarHBondContact O-N 3.41Å; M5-E7 PolarHBondContact O-N 2.98Å; M5-A8 PolarHBondContact O-N 3.34Å; M5-A8 VanDerWaalsContact O-N 3.16Å; M5-L9 HydrophobicContact CG-CD1 3.99Å; M5-L9 HydrophobicContact CG-CG 4.32Å; M5-L9 VanDerWaalsContact O-CG 3.3Å; M5-L9 WeakPolarHBondContact O-CG 3.47Å; M5-L9 PolarHBondContact O-N 3.03Å; M5-L9 HydrophobicContact SD-CD1 4.11Å; M5-L9 HydrophobicContact SD-CD2 4.18Å; M5-L9 HydrophobicContact SD-CG 3.99Å; M5-V177 HydrophobicContact CE-CG2 3.93Å; M5-V177 HydrophobicContact SD-CG2 4.49Å
6K96.9Very high93.8Very high69 Ų69102.9 Ų102.930%0.352%0.523SS..Hα-helixtrans-53.8-53175.3174-179.9168.5-178.80111.1V2 D3 A8 L9 E10 I16 E18V2-K6 PolarHBondContact O-N 2.97Å; D3-K6 WeakPolarHBondContact O-CB 3.39Å; D3-K6 PolarHBondContact O-N 3.46Å; K6-A8 VanDerWaalsContact C-N 3.28Å; K6-A8 PolarHBondContact O-N 2.97Å; K6-L9 PolarHBondContact O-N 3.36Å; K6-L9 VanDerWaalsContact O-N 3.14Å; K6-E10 WeakPolarHBondContact CE-OE1 3.45Å; K6-E10 HydrophobicContact CG-CG 4.31Å; K6-E10 IonicContact NZ-OE1 2.65Å; K6-E10 WeakPolarHBondContact O-CG 3.47Å; K6-E10 PolarHBondContact O-N 2.88Å; K6-I16 HydrophobicContact CG-CG2 4.34Å; K6-E18 HydrophobicContact CD-CG 4.44Å; K6-E18 WeakPolarHBondContact CD-OE1 3.41Å; K6-E18 WeakPolarHBondContact CE-OE1 3.48Å; K6-E18 IonicContact NZ-OE1 2.65Å; K6-E18 PolarHBondContact NZ-OE1 3.38Å
7E97.6Very high94Very high98 Ų98102.6 Ų102.646%0.45853%0.527SS..Hα-helixtrans-57.6-39.9178.6-73.4179.9-161.800112.8D3 M5 K11D3-E7 WeakPolarHBondContact O-CG 3.4Å; D3-E7 PolarHBondContact O-N 3.09Å; M5-E7 PolarHBondContact O-N 2.98Å; E7-K11 VanDerWaalsContact O-CG 3.27Å; E7-K11 WeakPolarHBondContact O-CG 3.48Å; E7-K11 PolarHBondContact O-N 3.42Å
8A97.8Very high94.2Very high45 Ų45101.6 Ų101.637%0.37252%0.52SS..Hα-helixtrans-65.1-43.7177.800000111.5M4 M5 K6 K11 L12M4-A8 WeakPolarHBondContact O-CB 2.97Å; M4-A8 PolarHBondContact O-N 2.72Å; M5-A8 PolarHBondContact O-N 3.34Å; M5-A8 VanDerWaalsContact O-N 3.16Å; K6-A8 VanDerWaalsContact C-N 3.28Å; K6-A8 PolarHBondContact O-N 2.97Å; A8-K11 PolarHBondContact O-N 3.18Å; A8-L12 WeakPolarHBondContact O-CG 3.23Å; A8-L12 PolarHBondContact O-N 3.38Å
9L97.1Very high94.4Very high37 Ų3799.9 Ų99.919%0.19451%0.511CS..Hα-helixtrans-70.2-35178.9-60.5177.4000112.2M5 K6 L12 Q13 L14 I16 I179M5-L9 HydrophobicContact CG-CD1 3.99Å; M5-L9 HydrophobicContact CG-CG 4.32Å; M5-L9 VanDerWaalsContact O-CG 3.3Å; M5-L9 WeakPolarHBondContact O-CG 3.47Å; M5-L9 PolarHBondContact O-N 3.03Å; M5-L9 HydrophobicContact SD-CD1 4.11Å; M5-L9 HydrophobicContact SD-CD2 4.18Å; M5-L9 HydrophobicContact SD-CG 3.99Å; K6-L9 PolarHBondContact O-N 3.36Å; K6-L9 VanDerWaalsContact O-N 3.14Å; L9-L12 CarbonylContact O-C 3.58Å; L9-L12 WeakPolarHBondContact O-CB 3.39Å; L9-L12 PolarHBondContact O-N 2.99Å; L9-Q13 PolarHBondContact O-N 3.06Å; L9-L14 HydrophobicContact CB-CD1 4.39Å; L9-L14 HydrophobicContact CD2-CD1 3.92Å; L9-L14 PolarHBondContact O-N 2.99Å; L9-I16 HydrophobicContact CB-CD1 3.52Å; L9-I16 HydrophobicContact CD1-CD1 4.49Å; L9-I179 HydrophobicContact CD2-CD1 3.55Å
10E96.7Very high94.6Very high92 Ų92102.7 Ų102.743%0.4352%0.519SS..Hα-helixtrans-62-44.6171.9-74176.8162.700111.5K6 L12 Q13 I16K6-E10 WeakPolarHBondContact CE-OE1 3.45Å; K6-E10 HydrophobicContact CG-CG 4.31Å; K6-E10 IonicContact NZ-OE1 2.65Å; K6-E10 WeakPolarHBondContact O-CG 3.47Å; K6-E10 PolarHBondContact O-N 2.88Å; E10-L12 PolarHBondContact O-N 2.96Å; E10-Q13 WeakPolarHBondContact O-CA 3.3Å; E10-Q13 PolarHBondContact O-N 3.36Å; E10-I16 HydrophobicContact CG-CD1 4.48Å; E10-I16 HydrophobicContact CG-CG1 3.75Å
11K96.5Very high94.7Very high157 Ų157100.1 Ų100.168%0.68351%0.506SS*.Hα-helixtrans-61.6-28.5175.1-73.5167.2-172.1164.40112.5E7 A8 Q13E7-K11 VanDerWaalsContact O-CG 3.27Å; E7-K11 WeakPolarHBondContact O-CG 3.48Å; E7-K11 PolarHBondContact O-N 3.42Å; A8-K11 PolarHBondContact O-N 3.18Å; K11-Q13 PolarHBondContact O-N 3.43Å
12L96.5Very high96.1Very high70 Ų70100.3 Ų100.337%0.36651%0.505SS..THydrogen-bonded Turntrans-79.7-2.3173.6-66.4174.1000113.3A8 L9 E10 L14 I179 K181A8-L12 WeakPolarHBondContact O-CG 3.23Å; A8-L12 PolarHBondContact O-N 3.38Å; L9-L12 CarbonylContact O-C 3.58Å; L9-L12 WeakPolarHBondContact O-CB 3.39Å; L9-L12 PolarHBondContact O-N 2.99Å; E10-L12 PolarHBondContact O-N 2.96Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 HydrophobicContact CB-CG 4.34Å; L12-I179 HydrophobicContact CD1-CD1 3.35Å; L12-K181 PolarHBondContact O-NZ 2.86Å
13Q96.2Very high96.9Very high143 Ų143100.7 Ų100.767%0.66850%0.503SS*.THydrogen-bonded Turntrans62.634.2179.4-54.6162.3-9.200112.6L9 E10 K11L9-Q13 PolarHBondContact O-N 3.06Å; E10-Q13 WeakPolarHBondContact O-CA 3.3Å; E10-Q13 PolarHBondContact O-N 3.36Å; K11-Q13 PolarHBondContact O-N 3.43Å
14L96.4Very high97.3Very high66 Ų6695.6 Ų95.635%0.34648%0.477SS..PPolyproline II helixtrans-80.7149.6169.1-61179.1000109.9L9 L12 I16 I179L9-L14 HydrophobicContact CB-CD1 4.39Å; L9-L14 HydrophobicContact CD2-CD1 3.92Å; L9-L14 PolarHBondContact O-N 2.99Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 HydrophobicContact CB-CG 4.34Å; L14-I16 HydrophobicContact CB-CD1 4.25Å; L14-I16 PolarHBondContact O-N 3.24Å; L14-I179 HydrophobicContact CD1-CD1 4.03Å; L14-I179 HydrophobicContact CD1-CG1 4.28Å; L14-I179 HydrophobicContact CD1-CG2 4.01Å; L14-I179 HydrophobicContact CD2-CG2 4.2Å
15N97Very high97.4Very high168 Ų16892.2 Ų92.290%0.89847%0.465SS*.PPolyproline II helixtrans-70.6124.8168.4-67.3-40.5000109
16I97.9Very high97.5Very high58 Ų5890.6 Ų90.630%0.29746%0.457SS..PPolyproline II helixtrans-102.6124.4-175.4-53.3-56.6000110.1K6 L9 E10 L14 E18K6-I16 HydrophobicContact CG-CG2 4.34Å; L9-I16 HydrophobicContact CB-CD1 3.52Å; L9-I16 HydrophobicContact CD1-CD1 4.49Å; E10-I16 HydrophobicContact CG-CD1 4.48Å; E10-I16 HydrophobicContact CG-CG1 3.75Å; L14-I16 HydrophobicContact CB-CD1 4.25Å; L14-I16 PolarHBondContact O-N 3.24Å; I16-E18 HydrophobicContact CG2-CG 4.21Å
17V98.1Very high97.5Very high98 Ų9889.7 Ų89.759%0.59446%0.456SS*.  trans-115.1125.3165.8179.80000107.4T57V17-T57 HydrophobicContact CB-CG2 3.95Å; V17-T57 HydrophobicContact CG1-CG2 4.24Å; V17-T57 HydrophobicContact CG2-CG2 4.03Å
18E98Very high97.6Very high84 Ų8487.4 Ų87.439%0.39346%0.459SS..  trans-102.5130.9177.6-74.7172.2-124.500110.4K6 I16 K20K6-E18 HydrophobicContact CD-CG 4.44Å; K6-E18 WeakPolarHBondContact CD-OE1 3.41Å; K6-E18 WeakPolarHBondContact CE-OE1 3.48Å; K6-E18 IonicContact NZ-OE1 2.65Å; K6-E18 PolarHBondContact NZ-OE1 3.38Å; I16-E18 HydrophobicContact CG2-CG 4.21Å; E18-K20 HydrophobicContact CB-CD 4.45Å; E18-K20 HydrophobicContact CB-CG 3.92Å; E18-K20 PolarHBondContact O-N 3.08Å; E18-K20 VanDerWaalsContact O-N 3.11Å; E18-K20 WeakPolarHBondContact OE2-CE 3.24Å; E18-K20 IonicContact OE2-NZ 3.72Å
19M97.9Very high97.6Very high70 Ų7086 Ų8635%0.34545%0.448SS..  trans-75.894168.8-175.5179.2-60.500109.1A24 L26 G50 I53M19-A24 HydrophobicContact CG-CB 3.81Å; M19-A24 HydrophobicContact SD-CB 3.64Å; M19-L26 HydrophobicContact CE-CB 3.72Å; M19-L26 HydrophobicContact CE-CD1 4.32Å; M19-L26 HydrophobicContact SD-CB 4.17Å; M19-G50 WeakPolarHBondContact CE-O 3.37Å; M19-I53 HydrophobicContact CB-CG2 4.34Å; M19-I53 HydrophobicContact CE-CB 4.06Å; M19-I53 HydrophobicContact CE-CG2 3.97Å; M19-I53 HydrophobicContact CG-CD1 3.79Å; M19-I53 HydrophobicContact CG-CG2 4.2Å; M19-I53 HydrophobicContact SD-CD1 4.49Å
20K97.2Very high97.7Very high155 Ų15584.2 Ų84.267%0.67444%0.439SS*.  trans-98.7-8.4-177.3-63.9-175.3178.9-178.80114.6E18 E22E18-K20 HydrophobicContact CB-CD 4.45Å; E18-K20 HydrophobicContact CB-CG 3.92Å; E18-K20 PolarHBondContact O-N 3.08Å; E18-K20 VanDerWaalsContact O-N 3.11Å; E18-K20 WeakPolarHBondContact OE2-CE 3.24Å; E18-K20 IonicContact OE2-NZ 3.72Å; K20-E22 PolarHBondContact O-N 3.1Å
21D97.7Very high97.8Very high49 Ų4980.8 Ų80.826%0.26242%0.424SS..  trans-67.6116.6178.6-173.4-21.8000109.4N23 A24 R49 I53D21-N23 PolarHBondContact O-N 2.99Å; D21-N23 VanDerWaalsContact O-N 3.12Å; D21-N23 WeakPolarHBondContact OD1-CB 3.46Å; D21-N23 PolarHBondContact OD1-N 3.48Å; D21-N23 PolarHBondContact OD1-ND2 3.37Å; D21-A24 HydrophobicContact CB-CB 3.92Å; D21-A24 WeakPolarHBondContact O-CB 3.37Å; D21-A24 PolarHBondContact O-N 2.58Å; D21-R49 IonicContact OD2-CZ 3.62Å; D21-R49 IonicContact OD2-NE 2.85Å; D21-R49 PolarHBondContact OD2-NE 2.97Å; D21-R49 IonicContact OD2-NH2 3.46Å; D21-R49 PolarHBondContact OD2-NH2 3.25Å; D21-I53 HydrophobicContact CB-CD1 3.87Å
22E97.6Very high97.9Very high193 Ų19373.6 Ų73.690%0.90239%0.393SS*.THydrogen-bonded Turntrans-63.5-17.7-177.1-62.9-177.7173.400113K20K20-E22 PolarHBondContact O-N 3.1Å
23N97.9Very high98Very high126 Ų12674.2 Ų74.267%0.67439%0.393SS*.THydrogen-bonded Turntrans-90.5-2.7175.9-53.5-71.2000112.7D21 N47D21-N23 PolarHBondContact O-N 2.99Å; D21-N23 VanDerWaalsContact O-N 3.12Å; D21-N23 WeakPolarHBondContact OD1-CB 3.46Å; D21-N23 PolarHBondContact OD1-N 3.48Å; D21-N23 PolarHBondContact OD1-ND2 3.37Å; N23-N47 PolarHBondContact O-ND2 3.46Å
24A98.5Very high98.1Very high12 Ų1268 Ų6810%0.09937%0.365CS..  trans-104132.2-177.100000111.2M19 D21 R49 I53M19-A24 HydrophobicContact CG-CB 3.81Å; M19-A24 HydrophobicContact SD-CB 3.64Å; D21-A24 HydrophobicContact CB-CB 3.92Å; D21-A24 WeakPolarHBondContact O-CB 3.37Å; D21-A24 PolarHBondContact O-N 2.58Å; A24-R49 HydrophobicContact CB-CB 4.14Å; A24-R49 HydrophobicContact CB-CG 3.69Å; A24-I53 HydrophobicContact CB-CD1 3.54Å
25T98.6Very high98.2Very high66 Ų6667.1 Ų67.141%0.40537%0.371SS..  trans-134.4140.9171.267.60000109.8R45 T46 N47T25-R45 CarbonylContact C-O 3.52Å; T25-R45 WeakPolarHBondContact CB-O 3.49Å; T25-R45 PolarHBondContact OG1-O 3.18Å; T25-T46 WeakPolarHBondContact O-CA 3.36Å; T25-N47 PolarHBondContact N-OD1 2.84Å; T25-N47 PolarHBondContact O-N 2.86Å; T25-N47 PolarHBondContact O-OD1 2.87Å
26L98.7Very high98.2Very high46 Ų4663.8 Ų63.824%0.24135%0.346CS..  trans-154.6124.3176.2-175.7147.2000110.4M19 V31 V40 T46 G50 L54M19-L26 HydrophobicContact CE-CB 3.72Å; M19-L26 HydrophobicContact CE-CD1 4.32Å; M19-L26 HydrophobicContact SD-CB 4.17Å; L26-V31 HydrophobicContact CD1-CG2 4.22Å; L26-V31 HydrophobicContact CD2-CG2 3.83Å; L26-V31 HydrophobicContact CG-CG2 4.32Å; L26-V40 HydrophobicContact CD1-CG1 4.26Å; L26-T46 WeakPolarHBondContact CA-OG1 3.48Å; L26-T46 HydrophobicContact CB-CG2 4.05Å; L26-T46 HydrophobicContact CD1-CG2 3.99Å; L26-T46 HydrophobicContact CG-CG2 3.77Å; L26-G50 WeakPolarHBondContact CD1-O 3.13Å; L26-L54 HydrophobicContact CD1-CB 4.13Å; L26-L54 HydrophobicContact CD1-CD1 3.81Å
27D98.5Very high98.3Very high50 Ų5061.4 Ų61.427%0.26733%0.334SS..  trans-95.3132.2168.6-84.30.7000109.2G29 D30 R45 T46 H73D27-G29 PolarHBondContact O-N 2.92Å; D27-D30 WeakPolarHBondContact O-CB 3.44Å; D27-D30 PolarHBondContact O-N 2.57Å; D27-R45 HydrophobicContact CB-CB 4.04Å; D27-R45 VanDerWaalsContact OD2-CB 3.28Å; D27-R45 WeakPolarHBondContact OD2-CB 3.45Å; D27-R45 VanDerWaalsContact OD2-CG 3.3Å; D27-R45 WeakPolarHBondContact OD2-CG 3.5Å; D27-R45 IonicContact OD2-NH1 3.99Å; D27-R45 PolarHBondContact OD2-NH1 3.42Å; D27-R45 VanDerWaalsContact OD2-NH1 3.08Å; D27-T46 PolarHBondContact N-OG1 3.25Å; D27-H73 VanDerWaalsContact CB-NE2 3.3Å; D27-H73 WeakPolarHBondContact CB-NE2 3.42Å; D27-H73 IonicContact OD2-CD2 2.71Å; D27-H73 IonicContact OD2-CE1 3.65Å; D27-H73 IonicContact OD2-NE2 3.16Å; D27-H73 PolarHBondContact OD2-NE2 3.1Å
28G98.1Very high98.3Very high51 Ų5157.5 Ų57.553%0.52631%0.309SS..G310 helixtrans-61.3-14.5178.900000114.4D30 V31 K75G28-D30 VanDerWaalsContact C-N 3.28Å; G28-V31 PolarHBondContact O-N 2.95Å; G28-K75 VanDerWaalsContact O-CE 3.29Å; G28-K75 WeakPolarHBondContact O-CE 3.45Å; G28-K75 PolarHBondContact O-NZ 3.39Å
29G98.4Very high98.3Very high14 Ų1453.5 Ų53.514%0.14429%0.29CS..G310 helixtrans-65.8-27.1169.500000113.5D27 V31 H73 K75D27-G29 PolarHBondContact O-N 2.92Å; G29-V31 VanDerWaalsContact C-N 3.29Å; G29-V31 PolarHBondContact O-N 2.68Å; G29-H73 VanDerWaalsContact C-CB 3.46Å; G29-H73 WeakPolarHBondContact O-CB 3.23Å; G29-K75 WeakPolarHBondContact O-CB 3.49Å; G29-K75 WeakPolarHBondContact O-CE 3.48Å; G29-K75 VanDerWaalsContact O-CG 3.31Å; G29-K75 WeakPolarHBondContact O-CG 3.44Å; G29-K75 PolarHBondContact O-N 3.15Å; G29-K75 VanDerWaalsContact O-N 3.12Å
30D98.8Very high98.4Very high0 Ų050.1 Ų50.10%027%0.274CS..G310 helixtrans-81.9-6.2177.9-81-47.7000113.5D27 G28 V40 G41 S43 T46 H73 L74D27-D30 WeakPolarHBondContact O-CB 3.44Å; D27-D30 PolarHBondContact O-N 2.57Å; G28-D30 VanDerWaalsContact C-N 3.28Å; D30-V40 CarbonylContact O-C 3.54Å; D30-V40 WeakPolarHBondContact O-CA 3.37Å; D30-G41 PolarHBondContact O-N 3.45Å; D30-S43 WeakPolarHBondContact OD2-CB 3.42Å; D30-S43 PolarHBondContact OD2-OG 3.08Å; D30-T46 HydrophobicContact CB-CG2 4.28Å; D30-T46 WeakPolarHBondContact CB-OG1 3.42Å; D30-T46 VanDerWaalsContact OD2-CB 3.23Å; D30-T46 WeakPolarHBondContact OD2-CB 3.35Å; D30-T46 PolarHBondContact OD2-OG1 3.45Å; D30-H73 WeakPolarHBondContact OD1-CA 3.46Å; D30-H73 IonicContact OD1-CD2 3.86Å; D30-H73 IonicContact OD2-CD2 2.69Å; D30-H73 PolarHBondContact OD2-CD2 3.17Å; D30-L74 WeakPolarHBondContact O-CD2 3.4Å; D30-L74 PolarHBondContact OD1-N 3.19Å
31V98.9Very high98.5Very high21 Ų2142.8 Ų42.813%0.12724%0.242CC..EExtended strand (participates in β ladder)trans-102.5115.5-175.6-1750000110.7L26 G28 G29 F38 V40 L54 K75L26-V31 HydrophobicContact CD1-CG2 4.22Å; L26-V31 HydrophobicContact CD2-CG2 3.83Å; L26-V31 HydrophobicContact CG-CG2 4.32Å; G28-V31 PolarHBondContact O-N 2.95Å; G29-V31 VanDerWaalsContact C-N 3.29Å; G29-V31 PolarHBondContact O-N 2.68Å; V31-F38 HydrophobicContact CG1-CD1 3.67Å; V31-F38 HydrophobicContact CG1-CE1 4.21Å; V31-V40 HydrophobicContact CG2-CG2 4.5Å; V31-L54 HydrophobicContact CB-CD1 4.44Å; V31-L54 HydrophobicContact CG1-CD1 3.91Å; V31-L54 HydrophobicContact CG2-CD1 3.61Å; V31-K75 WeakPolarHBondContact O-CD 3.45Å; V31-K75 VanDerWaalsContact O-CE 3.23Å; V31-K75 WeakPolarHBondContact O-CE 3.39Å; V31-K75 PolarHBondContact O-NZ 2.86Å
32L98.9Very high98.5Very high5 Ų542.8 Ų42.83%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-104.2106.4168.9-179.867.5000109.4T34 F38 F39 L74 M80 M101L32-T34 HydrophobicContact CG-CG2 4.48Å; L32-F38 WeakPolarHBondContact O-CA 3.4Å; L32-F39 HydrophobicContact CB-CB 4.37Å; L32-F39 HydrophobicContact CD2-CD2 4.33Å; L32-F39 PolarHBondContact N-O 2.98Å; L32-F39 PolarHBondContact O-N 3.21Å; L32-L74 HydrophobicContact CB-CD2 4.12Å; L32-M80 HydrophobicContact CD1-CG 3.93Å; L32-M80 HydrophobicContact CD1-SD 4.12Å; L32-M80 HydrophobicContact CG-SD 4.49Å; L32-M101 HydrophobicContact CD2-SD 4.09Å
33F98.8Very high98.5Very high84 Ų8434.9 Ų34.937%0.36821%0.207SC..EExtended strand (participates in β ladder)trans-91.3122.1170.1-179.9-124.4000110.1E37 F38 Y61 M80F33-E37 WeakPolarHBondContact CD2-O 3.33Å; F33-F38 HydrophobicContact CB-CD1 3.77Å; F33-F38 HydrophobicContact CB-CE1 3.58Å; F33-F38 HydrophobicContact CB-CZ 4.43Å; F33-F38 AromaticContact CD2-CD1 3.7Å; F33-F38 HydrophobicContact CD2-CD1 3.7Å; F33-F38 HydrophobicContact CD2-CD2 4.11Å; F33-F38 AromaticContact CD2-CE1 3.35Å; F33-F38 HydrophobicContact CD2-CE1 3.35Å; F33-F38 AromaticContact CD2-CE2 3.78Å; F33-F38 HydrophobicContact CD2-CE2 3.78Å; F33-F38 HydrophobicContact CD2-CG 4.08Å; F33-F38 AromaticContact CD2-CZ 3.39Å; F33-F38 HydrophobicContact CD2-CZ 3.39Å; F33-F38 HydrophobicContact CE2-CE1 4.22Å; F33-F38 AromaticContact CE2-CE2 3.94Å; F33-F38 HydrophobicContact CE2-CE2 3.94Å; F33-F38 AromaticContact CE2-CZ 3.79Å; F33-F38 HydrophobicContact CE2-CZ 3.79Å; F33-F38 HydrophobicContact CG-CD1 4.12Å; F33-F38 AromaticContact CG-CE1 3.65Å; F33-F38 HydrophobicContact CG-CE1 3.65Å; F33-F38 HydrophobicContact CG-CZ 4.02Å; F33-Y61 AromaticContact CE2-CD1 3.79Å; F33-Y61 HydrophobicContact CE2-CD1 3.79Å; F33-Y61 HydrophobicContact CE2-CD2 4.45Å; F33-Y61 AromaticContact CE2-CE1 3.71Å; F33-Y61 HydrophobicContact CE2-CE1 3.71Å; F33-Y61 HydrophobicContact CE2-CE2 4.4Å; F33-Y61 HydrophobicContact CE2-CG 4.16Å; F33-Y61 HydrophobicContact CZ-CD1 4.35Å; F33-Y61 AromaticContact CZ-CE1 3.8Å; F33-Y61 HydrophobicContact CZ-CE1 3.8Å; F33-Y61 HydrophobicContact CZ-CE2 4.39Å; F33-Y61 AromaticContact CZ-CZ 3.83Å; F33-M80 WeakPolarHBondContact O-CG 3.23Å
34T98.6Very high98.5Very high12 Ų1239 Ų397%0.07422%0.22CC..  trans-91.8-5.8-174.969.20000113.8L32 R36 E37 F39 M80 Y109L32-T34 HydrophobicContact CG-CG2 4.48Å; T34-R36 PolarHBondContact OG1-N 2.85Å; T34-R36 VanDerWaalsContact OG1-N 3.1Å; T34-E37 HydrophobicContact CG2-CG 4.45Å; T34-E37 PolarHBondContact N-O 3.11Å; T34-E37 PolarHBondContact OG1-N 2.99Å; T34-E37 VanDerWaalsContact OG1-N 3.08Å; T34-E37 PolarHBondContact OG1-O 3.31Å; T34-F39 HydrophobicContact CG2-CD2 3.93Å; T34-F39 HydrophobicContact CG2-CE2 3.87Å; T34-M80 HydrophobicContact CG2-SD 4.03Å; T34-Y109 HydrophobicContact CG2-CE1 4.06Å; T34-Y109 PolarHBondContact OG1-OH 3.28Å
35G97.6Very high98.5Very high47 Ų4744 Ų4449%0.48524%0.236SC..SBendtrans84.5-6.8-163.800000113.7
36R98.1Very high98.5Very high98 Ų9840.9 Ų40.937%0.3722%0.217SC..SBendtrans-127-31177.7-53.8-169.2-168.8114.2-4.1113.8T34 Y61 N84T34-R36 PolarHBondContact OG1-N 2.85Å; T34-R36 VanDerWaalsContact OG1-N 3.1Å; R36-Y61 WeakPolarHBondContact O-CD1 3.47Å; R36-N84 VanDerWaalsContact CZ-OD1 3.27Å; R36-N84 PolarHBondContact NH1-OD1 3.43Å; R36-N84 PolarHBondContact NH2-OD1 2.9Å
37E98.7Very high98.5Very high8 Ų841.2 Ų41.24%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-157.8173.5-18069.3-162.2118.300110F33 T34 F39 A62 S105 H107 Y109F33-E37 WeakPolarHBondContact CD2-O 3.33Å; T34-E37 HydrophobicContact CG2-CG 4.45Å; T34-E37 PolarHBondContact N-O 3.11Å; T34-E37 PolarHBondContact OG1-N 2.99Å; T34-E37 VanDerWaalsContact OG1-N 3.08Å; T34-E37 PolarHBondContact OG1-O 3.31Å; E37-F39 HydrophobicContact CG-CE2 3.99Å; E37-F39 HydrophobicContact CG-CZ 4.14Å; E37-A62 HydrophobicContact CB-CB 4.12Å; E37-A62 WeakPolarHBondContact CB-O 3.3Å; E37-S105 WeakPolarHBondContact OE1-CB 3.44Å; E37-S105 PolarHBondContact OE1-OG 2.82Å; E37-S105 PolarHBondContact OE2-OG 3.26Å; E37-H107 IonicContact OE1-CD2 3.41Å; E37-H107 PolarHBondContact OE1-CD2 2.94Å; E37-Y109 WeakPolarHBondContact OE1-CE2 3.13Å; E37-Y109 PolarHBondContact OE1-OH 3.48Å
38F98.9Very high98.5Very high16 Ų1643 Ų437%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-110134.4172.3-64.5-88.7000110.9V31 L32 F33 L54 F58 Y61 A62 V63 S64V31-F38 HydrophobicContact CG1-CD1 3.67Å; V31-F38 HydrophobicContact CG1-CE1 4.21Å; L32-F38 WeakPolarHBondContact O-CA 3.4Å; F33-F38 HydrophobicContact CB-CD1 3.77Å; F33-F38 HydrophobicContact CB-CE1 3.58Å; F33-F38 HydrophobicContact CB-CZ 4.43Å; F33-F38 AromaticContact CD2-CD1 3.7Å; F33-F38 HydrophobicContact CD2-CD1 3.7Å; F33-F38 HydrophobicContact CD2-CD2 4.11Å; F33-F38 AromaticContact CD2-CE1 3.35Å; F33-F38 HydrophobicContact CD2-CE1 3.35Å; F33-F38 AromaticContact CD2-CE2 3.78Å; F33-F38 HydrophobicContact CD2-CE2 3.78Å; F33-F38 HydrophobicContact CD2-CG 4.08Å; F33-F38 AromaticContact CD2-CZ 3.39Å; F33-F38 HydrophobicContact CD2-CZ 3.39Å; F33-F38 HydrophobicContact CE2-CE1 4.22Å; F33-F38 AromaticContact CE2-CE2 3.94Å; F33-F38 HydrophobicContact CE2-CE2 3.94Å; F33-F38 AromaticContact CE2-CZ 3.79Å; F33-F38 HydrophobicContact CE2-CZ 3.79Å; F33-F38 HydrophobicContact CG-CD1 4.12Å; F33-F38 AromaticContact CG-CE1 3.65Å; F33-F38 HydrophobicContact CG-CE1 3.65Å; F33-F38 HydrophobicContact CG-CZ 4.02Å; F38-L54 HydrophobicContact CB-CD2 4.23Å; F38-L54 HydrophobicContact CD1-CD2 4.24Å; F38-L54 HydrophobicContact CD2-CD2 4.26Å; F38-L54 HydrophobicContact CG-CD2 4Å; F38-F58 HydrophobicContact CE2-CB 3.74Å; F38-F58 HydrophobicContact CE2-CD2 4.36Å; F38-F58 HydrophobicContact CE2-CG 4.03Å; F38-F58 HydrophobicContact CZ-CB 4.23Å; F38-F58 HydrophobicContact CZ-CD1 4.39Å; F38-F58 HydrophobicContact CZ-CD2 4.12Å; F38-F58 AromaticContact CZ-CG 4Å; F38-F58 HydrophobicContact CZ-CG 4Å; F38-Y61 HydrophobicContact CD2-CG 4.33Å; F38-Y61 AromaticContact CE2-CD2 3.9Å; F38-Y61 HydrophobicContact CE2-CD2 3.9Å; F38-Y61 AromaticContact CE2-CG 3.82Å; F38-Y61 HydrophobicContact CE2-CG 3.82Å; F38-A62 PolarHBondContact N-O 3.14Å; F38-V63 HydrophobicContact CB-CG1 4.3Å; F38-V63 HydrophobicContact CB-CG2 4.12Å; F38-V63 HydrophobicContact CD2-CG2 4.14Å; F38-V63 WeakPolarHBondContact O-CA 3.5Å; F38-S64 PolarHBondContact O-N 2.99Å
39F98.9Very high98.5Very high0 Ų045 Ų450%022%0.217CC..EExtended strand (participates in β ladder)trans-104.4129.1158.4-61.7-74.6000109.1L32 T34 E37 S64 V66 L74 M101 Y109L32-F39 HydrophobicContact CB-CB 4.37Å; L32-F39 HydrophobicContact CD2-CD2 4.33Å; L32-F39 PolarHBondContact N-O 2.98Å; L32-F39 PolarHBondContact O-N 3.21Å; T34-F39 HydrophobicContact CG2-CD2 3.93Å; T34-F39 HydrophobicContact CG2-CE2 3.87Å; E37-F39 HydrophobicContact CG-CE2 3.99Å; E37-F39 HydrophobicContact CG-CZ 4.14Å; F39-S64 CarbonylContact C-O 3.49Å; F39-S64 WeakPolarHBondContact CA-O 3.37Å; F39-V66 HydrophobicContact CB-CG2 4.24Å; F39-V66 HydrophobicContact CD1-CG2 4.15Å; F39-L74 HydrophobicContact CB-CD2 4.02Å; F39-M101 HydrophobicContact CB-CG 4.19Å; F39-M101 HydrophobicContact CB-SD 3.76Å; F39-M101 HydrophobicContact CD1-CB 3.93Å; F39-M101 HydrophobicContact CD1-CG 3.58Å; F39-M101 HydrophobicContact CD1-SD 4.17Å; F39-M101 HydrophobicContact CD2-CB 4.4Å; F39-M101 HydrophobicContact CD2-CG 4.17Å; F39-M101 HydrophobicContact CD2-SD 3.78Å; F39-M101 HydrophobicContact CE1-CB 3.71Å; F39-M101 HydrophobicContact CE1-CG 3.93Å; F39-M101 WeakPolarHBondContact CE1-O 3.43Å; F39-M101 HydrophobicContact CE2-CB 4.2Å; F39-M101 HydrophobicContact CE2-CG 4.46Å; F39-M101 HydrophobicContact CE2-SD 4.4Å; F39-M101 HydrophobicContact CG-CB 4.26Å; F39-M101 HydrophobicContact CG-CG 3.71Å; F39-M101 HydrophobicContact CG-SD 3.62Å; F39-M101 HydrophobicContact CZ-CB 3.84Å; F39-M101 HydrophobicContact CZ-CG 4.34Å; F39-M101 WeakPolarHBondContact CZ-O 3.45Å; F39-Y109 HydrophobicContact CE2-CE2 4.2Å; F39-Y109 HydrophobicContact CZ-CE2 4.4Å
40V98.9Very high98.5Very high0 Ų044.4 Ų44.40%021%0.211CC..EExtended strand (participates in β ladder)trans-117.1119.3-179.3-176.40000109.7L26 D30 V31 L42 T46 A51 L54 V63 S64 T65 V66L26-V40 HydrophobicContact CD1-CG1 4.26Å; D30-V40 CarbonylContact O-C 3.54Å; D30-V40 WeakPolarHBondContact O-CA 3.37Å; V31-V40 HydrophobicContact CG2-CG2 4.5Å; V40-L42 PolarHBondContact O-N 3.42Å; V40-T46 HydrophobicContact CG1-CG2 3.75Å; V40-A51 HydrophobicContact CB-CB 4.22Å; V40-A51 HydrophobicContact CG1-CB 3.79Å; V40-L54 HydrophobicContact CG2-CD1 4.34Å; V40-L54 HydrophobicContact CG2-CD2 4.27Å; V40-V63 HydrophobicContact CG2-CG1 3.71Å; V40-S64 PolarHBondContact N-O 3.41Å; V40-T65 CarbonylContact O-C 3.55Å; V40-T65 VanDerWaalsContact O-CA 3.23Å; V40-T65 WeakPolarHBondContact O-CA 3.31Å; V40-V66 PolarHBondContact O-N 3.22Å
41G98.8Very high98.5Very high0 Ų044.5 Ų44.50%021%0.212CC..EExtended strand (participates in β ladder)trans-66.1126173.900000111.5D30 T46 V66D30-G41 PolarHBondContact O-N 3.45Å; G41-T46 VanDerWaalsContact O-CB 3.26Å; G41-T46 WeakPolarHBondContact O-CB 3.42Å; G41-T46 VanDerWaalsContact O-CG2 3.28Å; G41-T46 WeakPolarHBondContact O-CG2 3.39Å; G41-V66 CarbonylContact C-O 3.6Å; G41-V66 VanDerWaalsContact CA-O 3.31Å; G41-V66 WeakPolarHBondContact CA-O 3.45Å
42L98.6Very high98.5Very high50 Ų5047.2 Ų47.226%0.26222%0.223SC..EExtended strand (participates in β ladder)trans-88.2108.5163.8-62.9-178.4000107.9V40 T65 V66 V68V40-L42 PolarHBondContact O-N 3.42Å; L42-T65 HydrophobicContact CD1-CG2 4.31Å; L42-T65 HydrophobicContact CD2-CG2 4.03Å; L42-T65 HydrophobicContact CG-CG2 4.16Å; L42-V66 PolarHBondContact N-O 3.29Å; L42-V68 PolarHBondContact O-N 2.87Å
43S98.1Very high98.5Very high26 Ų2648.1 Ų48.118%0.18223%0.227CC..SBendtrans-131.6-173.6-169.478.50000110.6D30 R45 T46D30-S43 WeakPolarHBondContact OD2-CB 3.42Å; D30-S43 PolarHBondContact OD2-OG 3.08Å; S43-R45 PolarHBondContact O-N 3.11Å; S43-R45 PolarHBondContact OG-N 2.86Å; S43-T46 PolarHBondContact N-O 3.28Å; S43-T46 VanDerWaalsContact O-O 3.12Å; S43-T46 PolarHBondContact OG-N 3.39Å
44K97.4Very high98.5Very high214 Ų21444.9 Ų44.993%0.9321%0.214SC*.SBendtrans-68-13170-65.6-179.4-176.8172.20113.1
45R97.6Very high98.5Very high116 Ų11646 Ų4644%0.43822%0.224SC..SBendtrans-111.1-30.7-175.3-61.1-67.2-174.772.92.9112.6T25 D27 S43T25-R45 CarbonylContact C-O 3.52Å; T25-R45 WeakPolarHBondContact CB-O 3.49Å; T25-R45 PolarHBondContact OG1-O 3.18Å; D27-R45 HydrophobicContact CB-CB 4.04Å; D27-R45 VanDerWaalsContact OD2-CB 3.28Å; D27-R45 WeakPolarHBondContact OD2-CB 3.45Å; D27-R45 VanDerWaalsContact OD2-CG 3.3Å; D27-R45 WeakPolarHBondContact OD2-CG 3.5Å; D27-R45 IonicContact OD2-NH1 3.99Å; D27-R45 PolarHBondContact OD2-NH1 3.42Å; D27-R45 VanDerWaalsContact OD2-NH1 3.08Å; S43-R45 PolarHBondContact O-N 3.11Å; S43-R45 PolarHBondContact OG-N 2.86Å
46T98.8Very high98.6Very high1 Ų148.3 Ų48.31%0.00623%0.226CC..  trans-115.7121.9-179.1-57.30000110.4T25 L26 D27 D30 V40 G41 S43T25-T46 WeakPolarHBondContact O-CA 3.36Å; L26-T46 WeakPolarHBondContact CA-OG1 3.48Å; L26-T46 HydrophobicContact CB-CG2 4.05Å; L26-T46 HydrophobicContact CD1-CG2 3.99Å; L26-T46 HydrophobicContact CG-CG2 3.77Å; D27-T46 PolarHBondContact N-OG1 3.25Å; D30-T46 HydrophobicContact CB-CG2 4.28Å; D30-T46 WeakPolarHBondContact CB-OG1 3.42Å; D30-T46 VanDerWaalsContact OD2-CB 3.23Å; D30-T46 WeakPolarHBondContact OD2-CB 3.35Å; D30-T46 PolarHBondContact OD2-OG1 3.45Å; V40-T46 HydrophobicContact CG1-CG2 3.75Å; G41-T46 VanDerWaalsContact O-CB 3.26Å; G41-T46 WeakPolarHBondContact O-CB 3.42Å; G41-T46 VanDerWaalsContact O-CG2 3.28Å; G41-T46 WeakPolarHBondContact O-CG2 3.39Å; S43-T46 PolarHBondContact N-O 3.28Å; S43-T46 VanDerWaalsContact O-O 3.12Å; S43-T46 PolarHBondContact OG-N 3.39Å
47N98.6Very high98.6Very high53 Ų5346.1 Ų46.128%0.28322%0.223SC..  trans-107.7172.1179.874.311.1000112.1N23 T25 R49 G50 A51N23-N47 PolarHBondContact O-ND2 3.46Å; T25-N47 PolarHBondContact N-OD1 2.84Å; T25-N47 PolarHBondContact O-N 2.86Å; T25-N47 PolarHBondContact O-OD1 2.87Å; N47-R49 VanDerWaalsContact C-N 3.27Å; N47-R49 PolarHBondContact O-N 3.32Å; N47-R49 PolarHBondContact OD1-N 3.23Å; N47-G50 PolarHBondContact O-N 3.07Å; N47-G50 PolarHBondContact OD1-N 3.4Å; N47-A51 PolarHBondContact O-N 3.32Å; N47-A51 VanDerWaalsContact O-N 3.14Å
48Q98.7Very high98.6Very high88 Ų8850.3 Ų50.341%0.41124%0.241SC..Hα-helixtrans-57.6-41-177.9-175.159.441.500112.2G50 A51 E52Q48-G50 VanDerWaalsContact C-N 3.34Å; Q48-G50 PolarHBondContact O-N 2.88Å; Q48-A51 WeakPolarHBondContact O-CB 3.38Å; Q48-A51 PolarHBondContact O-N 2.89Å; Q48-E52 WeakPolarHBondContact O-CG 3.5Å; Q48-E52 PolarHBondContact O-N 3.09Å
49R98.8Very high98.5Very high93 Ų9357.3 Ų57.335%0.35127%0.272SS..Hα-helixtrans-64.9-38.6-179.8-173.465.4-173141.45.8112.1D21 A24 N47 E52 I53D21-R49 IonicContact OD2-CZ 3.62Å; D21-R49 IonicContact OD2-NE 2.85Å; D21-R49 PolarHBondContact OD2-NE 2.97Å; D21-R49 IonicContact OD2-NH2 3.46Å; D21-R49 PolarHBondContact OD2-NH2 3.25Å; A24-R49 HydrophobicContact CB-CB 4.14Å; A24-R49 HydrophobicContact CB-CG 3.69Å; N47-R49 VanDerWaalsContact C-N 3.27Å; N47-R49 PolarHBondContact O-N 3.32Å; N47-R49 PolarHBondContact OD1-N 3.23Å; R49-E52 WeakPolarHBondContact CD-OE2 3Å; R49-E52 IonicContact CZ-OE2 3.95Å; R49-E52 IonicContact NH1-OE2 2.97Å; R49-E52 PolarHBondContact NH1-OE2 2.93Å; R49-E52 PolarHBondContact O-N 3.21Å; R49-I53 HydrophobicContact CG-CD1 4.39Å; R49-I53 WeakPolarHBondContact O-CG1 3.42Å; R49-I53 PolarHBondContact O-N 2.83Å; R49-I53 VanDerWaalsContact O-N 3.08Å
50G98.8Very high98.5Very high0 Ų064.8 Ų64.80%031%0.311CS..Hα-helixtrans-62.5-42173.600000112.5M19 L26 N47 Q48 I53 L54M19-G50 WeakPolarHBondContact CE-O 3.37Å; L26-G50 WeakPolarHBondContact CD1-O 3.13Å; N47-G50 PolarHBondContact O-N 3.07Å; N47-G50 PolarHBondContact OD1-N 3.4Å; Q48-G50 VanDerWaalsContact C-N 3.34Å; Q48-G50 PolarHBondContact O-N 2.88Å; G50-I53 PolarHBondContact O-N 3.17Å; G50-L54 PolarHBondContact O-N 3.42Å; G50-L54 VanDerWaalsContact O-N 3.11Å
51A98.8Very high98.5Very high3 Ų369.3 Ų69.33%0.02533%0.329CS..Hα-helixtrans-64.5-40.117600000112.6V40 N47 Q48 L54 A55 T65V40-A51 HydrophobicContact CB-CB 4.22Å; V40-A51 HydrophobicContact CG1-CB 3.79Å; N47-A51 PolarHBondContact O-N 3.32Å; N47-A51 VanDerWaalsContact O-N 3.14Å; Q48-A51 WeakPolarHBondContact O-CB 3.38Å; Q48-A51 PolarHBondContact O-N 2.89Å; A51-L54 WeakPolarHBondContact O-CB 2.86Å; A51-L54 PolarHBondContact O-N 3.43Å; A51-A55 PolarHBondContact O-N 3.36Å; A51-T65 HydrophobicContact CB-CG2 3.88Å
52E98.8Very high98.5Very high78 Ų7872.1 Ų72.136%0.36435%0.353SS..Hα-helixtrans-61.8-45.1175-72.1166.6-170.700112.2Q48 R49 L54 A55 D56Q48-E52 WeakPolarHBondContact O-CG 3.5Å; Q48-E52 PolarHBondContact O-N 3.09Å; R49-E52 WeakPolarHBondContact CD-OE2 3Å; R49-E52 IonicContact CZ-OE2 3.95Å; R49-E52 IonicContact NH1-OE2 2.97Å; R49-E52 PolarHBondContact NH1-OE2 2.93Å; R49-E52 PolarHBondContact O-N 3.21Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 3.03Å; E52-A55 WeakPolarHBondContact O-CB 3.34Å; E52-A55 PolarHBondContact O-N 2.91Å; E52-A55 VanDerWaalsContact O-N 3.09Å; E52-D56 PolarHBondContact O-N 2.94Å
53I98.8Very high98.5Very high23 Ų2371.7 Ų71.712%0.11835%0.352CS..Hα-helixtrans-62.7-36.4177.5-69.4170.6000110.8M19 D21 A24 R49 G50 D56 T57M19-I53 HydrophobicContact CB-CG2 4.34Å; M19-I53 HydrophobicContact CE-CB 4.06Å; M19-I53 HydrophobicContact CE-CG2 3.97Å; M19-I53 HydrophobicContact CG-CD1 3.79Å; M19-I53 HydrophobicContact CG-CG2 4.2Å; M19-I53 HydrophobicContact SD-CD1 4.49Å; D21-I53 HydrophobicContact CB-CD1 3.87Å; A24-I53 HydrophobicContact CB-CD1 3.54Å; R49-I53 HydrophobicContact CG-CD1 4.39Å; R49-I53 WeakPolarHBondContact O-CG1 3.42Å; R49-I53 PolarHBondContact O-N 2.83Å; R49-I53 VanDerWaalsContact O-N 3.08Å; G50-I53 PolarHBondContact O-N 3.17Å; I53-D56 PolarHBondContact O-N 3.13Å; I53-T57 WeakPolarHBondContact O-CB 3.35Å; I53-T57 PolarHBondContact O-N 3.29Å; I53-T57 PolarHBondContact O-OG1 3.43Å
54L98.8Very high98.5Very high17 Ų1771.2 Ų71.29%0.08935%0.349CS..Hα-helixtrans-62.8-43.4173.1-173.6151000111.3L26 V31 F38 V40 G50 A51 E52 T57 F58 V63L26-L54 HydrophobicContact CD1-CB 4.13Å; L26-L54 HydrophobicContact CD1-CD1 3.81Å; V31-L54 HydrophobicContact CB-CD1 4.44Å; V31-L54 HydrophobicContact CG1-CD1 3.91Å; V31-L54 HydrophobicContact CG2-CD1 3.61Å; F38-L54 HydrophobicContact CB-CD2 4.23Å; F38-L54 HydrophobicContact CD1-CD2 4.24Å; F38-L54 HydrophobicContact CD2-CD2 4.26Å; F38-L54 HydrophobicContact CG-CD2 4Å; V40-L54 HydrophobicContact CG2-CD1 4.34Å; V40-L54 HydrophobicContact CG2-CD2 4.27Å; G50-L54 PolarHBondContact O-N 3.42Å; G50-L54 VanDerWaalsContact O-N 3.11Å; A51-L54 WeakPolarHBondContact O-CB 2.86Å; A51-L54 PolarHBondContact O-N 3.43Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 3.03Å; L54-T57 WeakPolarHBondContact O-CB 3.27Å; L54-T57 PolarHBondContact O-N 3.23Å; L54-F58 HydrophobicContact CD2-CD2 4.16Å; L54-F58 HydrophobicContact CG-CD2 4.05Å; L54-F58 HydrophobicContact CG-CE2 4.4Å; L54-F58 WeakPolarHBondContact O-CD2 3.28Å; L54-F58 PolarHBondContact O-N 2.81Å; L54-V63 HydrophobicContact CD2-CG1 4.12Å; L54-V63 HydrophobicContact CD2-CG2 3.92Å
55A98.6Very high98.5Very high34 Ų3463.1 Ų63.128%0.28132%0.317SS..Hα-helixtrans-62.6-42.6175.700000112.5A51 E52 T57 F58 K59 V63A51-A55 PolarHBondContact O-N 3.36Å; E52-A55 WeakPolarHBondContact O-CB 3.34Å; E52-A55 PolarHBondContact O-N 2.91Å; E52-A55 VanDerWaalsContact O-N 3.09Å; A55-T57 PolarHBondContact O-N 3.27Å; A55-F58 CarbonylContact O-C 3.58Å; A55-F58 PolarHBondContact O-N 3.32Å; A55-K59 PolarHBondContact O-N 2.95Å; A55-V63 HydrophobicContact CB-CB 3.88Å; A55-V63 HydrophobicContact CB-CG1 4.34Å; A55-V63 HydrophobicContact CB-CG2 3.7Å
56D98.5Very high98.6Very high97 Ų9757.6 Ų57.652%0.51930%0.296SS..Hα-helixtrans-64-29.3174.7-77.8-26.6000112.6E52 I53 K59E52-D56 PolarHBondContact O-N 2.94Å; I53-D56 PolarHBondContact O-N 3.13Å; D56-K59 WeakPolarHBondContact O-CE 3.26Å; D56-K59 VanDerWaalsContact O-CG 3.23Å; D56-K59 WeakPolarHBondContact O-CG 3.23Å
57T98.7Very high98.5Very high51 Ų5161.4 Ų61.431%0.31332%0.321SS..Hα-helixtrans-77.5-39.5178.9-58.40000111.7V17 I53 L54 A55V17-T57 HydrophobicContact CB-CG2 3.95Å; V17-T57 HydrophobicContact CG1-CG2 4.24Å; V17-T57 HydrophobicContact CG2-CG2 4.03Å; I53-T57 WeakPolarHBondContact O-CB 3.35Å; I53-T57 PolarHBondContact O-N 3.29Å; I53-T57 PolarHBondContact O-OG1 3.43Å; L54-T57 WeakPolarHBondContact O-CB 3.27Å; L54-T57 PolarHBondContact O-N 3.23Å; A55-T57 PolarHBondContact O-N 3.27Å
58F98.4Very high98.4Very high96 Ų9659.8 Ų59.842%0.42131%0.313SS..  trans-114.656.9-175.8-62.2-73.5000112.4F38 L54 A55 D60 Y61F38-F58 HydrophobicContact CE2-CB 3.74Å; F38-F58 HydrophobicContact CE2-CD2 4.36Å; F38-F58 HydrophobicContact CE2-CG 4.03Å; F38-F58 HydrophobicContact CZ-CB 4.23Å; F38-F58 HydrophobicContact CZ-CD1 4.39Å; F38-F58 HydrophobicContact CZ-CD2 4.12Å; F38-F58 AromaticContact CZ-CG 4Å; F38-F58 HydrophobicContact CZ-CG 4Å; L54-F58 HydrophobicContact CD2-CD2 4.16Å; L54-F58 HydrophobicContact CG-CD2 4.05Å; L54-F58 HydrophobicContact CG-CE2 4.4Å; L54-F58 WeakPolarHBondContact O-CD2 3.28Å; L54-F58 PolarHBondContact O-N 2.81Å; A55-F58 CarbonylContact O-C 3.58Å; A55-F58 PolarHBondContact O-N 3.32Å; F58-D60 PolarHBondContact O-N 2.76Å; F58-Y61 PolarHBondContact O-N 3.12Å
59K97.9Very high97.8Very high164 Ų16459.7 Ų59.771%0.71333%0.327SS*.THydrogen-bonded Turntrans-57.3-20.8-171.8-58.1-172.5179.7-176.10115.8A55 D56 Y61A55-K59 PolarHBondContact O-N 2.95Å; D56-K59 WeakPolarHBondContact O-CE 3.26Å; D56-K59 VanDerWaalsContact O-CG 3.23Å; D56-K59 WeakPolarHBondContact O-CG 3.23Å; K59-Y61 VanDerWaalsContact C-N 3.26Å; K59-Y61 PolarHBondContact O-N 2.65Å
60D98.2Very high97.1Very high156 Ų15660 Ų6083%0.83434%0.336SS*.THydrogen-bonded Turntrans-79.8-7.8-180-60.5-36.9000113.3F58F58-D60 PolarHBondContact O-N 2.76Å
61Y98.4Very high96.4Very high96 Ų9662.8 Ų62.838%0.37636%0.364SS..SBendtrans-121.6139.9-178.9-66.1-80.6000110.9F33 R36 F38 F58 K59F33-Y61 AromaticContact CE2-CD1 3.79Å; F33-Y61 HydrophobicContact CE2-CD1 3.79Å; F33-Y61 HydrophobicContact CE2-CD2 4.45Å; F33-Y61 AromaticContact CE2-CE1 3.71Å; F33-Y61 HydrophobicContact CE2-CE1 3.71Å; F33-Y61 HydrophobicContact CE2-CE2 4.4Å; F33-Y61 HydrophobicContact CE2-CG 4.16Å; F33-Y61 HydrophobicContact CZ-CD1 4.35Å; F33-Y61 AromaticContact CZ-CE1 3.8Å; F33-Y61 HydrophobicContact CZ-CE1 3.8Å; F33-Y61 HydrophobicContact CZ-CE2 4.39Å; F33-Y61 AromaticContact CZ-CZ 3.83Å; R36-Y61 WeakPolarHBondContact O-CD1 3.47Å; F38-Y61 HydrophobicContact CD2-CG 4.33Å; F38-Y61 AromaticContact CE2-CD2 3.9Å; F38-Y61 HydrophobicContact CE2-CD2 3.9Å; F38-Y61 AromaticContact CE2-CG 3.82Å; F38-Y61 HydrophobicContact CE2-CG 3.82Å; F58-Y61 PolarHBondContact O-N 3.12Å; K59-Y61 VanDerWaalsContact C-N 3.26Å; K59-Y61 PolarHBondContact O-N 2.65Å
62A98.3Very high96.2Very high59 Ų5965 Ų6549%0.48838%0.375SS..EExtended strand (participates in β ladder)trans-64.1145.3169.600000110.5E37 F38E37-A62 HydrophobicContact CB-CB 4.12Å; E37-A62 WeakPolarHBondContact CB-O 3.3Å; F38-A62 PolarHBondContact N-O 3.14Å
63V98.7Very high96.2Very high40 Ų4062.2 Ų62.224%0.24236%0.363CS..EExtended strand (participates in β ladder)trans-129.2120.2176.8-174.90000109F38 V40 L54 A55F38-V63 HydrophobicContact CB-CG1 4.3Å; F38-V63 HydrophobicContact CB-CG2 4.12Å; F38-V63 HydrophobicContact CD2-CG2 4.14Å; F38-V63 WeakPolarHBondContact O-CA 3.5Å; V40-V63 HydrophobicContact CG2-CG1 3.71Å; L54-V63 HydrophobicContact CD2-CG1 4.12Å; L54-V63 HydrophobicContact CD2-CG2 3.92Å; A55-V63 HydrophobicContact CB-CB 3.88Å; A55-V63 HydrophobicContact CB-CG1 4.34Å; A55-V63 HydrophobicContact CB-CG2 3.7Å
64S98.6Very high96.1Very high17 Ų1761.1 Ų61.112%0.11936%0.357CS..EExtended strand (participates in β ladder)trans-121.2138.8178.5-72.70000110.5F38 F39 V40F38-S64 PolarHBondContact O-N 2.99Å; F39-S64 CarbonylContact C-O 3.49Å; F39-S64 WeakPolarHBondContact CA-O 3.37Å; V40-S64 PolarHBondContact N-O 3.41Å
65T98.5Very high96.1Very high44 Ų4462.1 Ų62.127%0.2736%0.361SS..EExtended strand (participates in β ladder)trans-95.2142.1-179.753.50000112.3V40 L42 A51V40-T65 CarbonylContact O-C 3.55Å; V40-T65 VanDerWaalsContact O-CA 3.23Å; V40-T65 WeakPolarHBondContact O-CA 3.31Å; L42-T65 HydrophobicContact CD1-CG2 4.31Å; L42-T65 HydrophobicContact CD2-CG2 4.03Å; L42-T65 HydrophobicContact CG-CG2 4.16Å; A51-T65 HydrophobicContact CB-CG2 3.88Å
66V98.1Very high96.1Very high0 Ų061.1 Ų61.10%035%0.351CS..EExtended strand (participates in β ladder)trans-128.2126.8180-172.20000109.2F39 V40 G41 L42 V68 L74 A97 I100 M101F39-V66 HydrophobicContact CB-CG2 4.24Å; F39-V66 HydrophobicContact CD1-CG2 4.15Å; V40-V66 PolarHBondContact O-N 3.22Å; G41-V66 CarbonylContact C-O 3.6Å; G41-V66 VanDerWaalsContact CA-O 3.31Å; G41-V66 WeakPolarHBondContact CA-O 3.45Å; L42-V66 PolarHBondContact N-O 3.29Å; V66-V68 PolarHBondContact O-N 3.14Å; V66-L74 HydrophobicContact CG1-CD1 4.49Å; V66-A97 HydrophobicContact CG1-CB 3.94Å; V66-I100 HydrophobicContact CG1-CB 4.37Å; V66-I100 HydrophobicContact CG1-CG2 4.26Å; V66-M101 HydrophobicContact CG1-CG 4.39Å; V66-M101 HydrophobicContact CG2-CG 3.43Å; V66-M101 VanDerWaalsContact CG2-CG 3.43Å; V66-M101 HydrophobicContact CG2-SD 4.3Å
67P97.6Very high96.1Very high80 Ų8056.8 Ų56.852%0.51933%0.328SS..EExtended strand (participates in β ladder)trans-63130.2175.3-21.933.3000111.9
68V96.3Very high96.1Very high19 Ų1954.4 Ų54.412%0.11531%0.313CS..  trans-104.996173.3-178.40000108L42 V66 L74 F77L42-V68 PolarHBondContact O-N 2.87Å; V66-V68 PolarHBondContact O-N 3.14Å; V68-L74 HydrophobicContact CG2-CB 4.02Å; V68-F77 HydrophobicContact CG1-CE1 4.31Å
69A85.6Confident96.1Very high87 Ų8750 Ų5072%0.71929%0.294SS*.  trans-82.3-43.6-178.400000112.5
70D84.1Confident96.2Very high99 Ų9943.4 Ų43.453%0.52927%0.266SS..SBendtrans-125.8143.3-179.3-59.1-54.4000110S93D70-S93 WeakPolarHBondContact OD2-CB 3.21Å; D70-S93 PolarHBondContact OD2-OG 2.77Å
71G85.8Confident96.2Very high58 Ų5836 Ų3660%0.59823%0.227SC*.SBendtrans97.3167.2-170.800000112.9
72L93.4Very high96.2Very high49 Ų4931.5 Ų31.526%0.25721%0.21SC..SBendtrans-78.8-41.6179.8-175.565.8000111.4S76 D169L72-S76 PolarHBondContact N-OG 3Å; L72-D169 HydrophobicContact CD2-CB 3.56Å
73H98.2Very high96.2Very high20 Ų2032.6 Ų32.69%0.09321%0.212CC..SBendtrans-140.7165.5-178.1-58130000111.7D27 G29 D30 K75 S76D27-H73 VanDerWaalsContact CB-NE2 3.3Å; D27-H73 WeakPolarHBondContact CB-NE2 3.42Å; D27-H73 IonicContact OD2-CD2 2.71Å; D27-H73 IonicContact OD2-CE1 3.65Å; D27-H73 IonicContact OD2-NE2 3.16Å; D27-H73 PolarHBondContact OD2-NE2 3.1Å; G29-H73 VanDerWaalsContact C-CB 3.46Å; G29-H73 WeakPolarHBondContact O-CB 3.23Å; D30-H73 WeakPolarHBondContact OD1-CA 3.46Å; D30-H73 IonicContact OD1-CD2 3.86Å; D30-H73 IonicContact OD2-CD2 2.69Å; D30-H73 PolarHBondContact OD2-CD2 3.17Å; H73-K75 VanDerWaalsContact C-N 3.25Å; H73-K75 PolarHBondContact O-N 3.38Å; H73-S76 PolarHBondContact N-OG 3.19Å; H73-S76 WeakPolarHBondContact O-CB 3.34Å; H73-S76 PolarHBondContact O-N 3.46Å; H73-S76 PolarHBondContact O-OG 2.95Å; H73-S76 VanDerWaalsContact O-OG 3.13Å
74L98.3Very high96.1Very high0 Ų032.2 Ų32.20%021%0.208CC..G310 helixtrans-51.4-44.7170.7179.360.4000111.9D30 L32 F39 V66 V68 S76 F77 C78 M101D30-L74 WeakPolarHBondContact O-CD2 3.4Å; D30-L74 PolarHBondContact OD1-N 3.19Å; L32-L74 HydrophobicContact CB-CD2 4.12Å; F39-L74 HydrophobicContact CB-CD2 4.02Å; V66-L74 HydrophobicContact CG1-CD1 4.49Å; V68-L74 HydrophobicContact CG2-CB 4.02Å; L74-S76 PolarHBondContact O-N 2.81Å; L74-F77 HydrophobicContact CD1-CE2 3.77Å; L74-F77 HydrophobicContact CD1-CZ 3.76Å; L74-F77 WeakPolarHBondContact O-CE2 3.33Å; L74-F77 PolarHBondContact O-N 3.4Å; L74-C78 PolarHBondContact O-SG 3.25Å; L74-M101 HydrophobicContact CD1-SD 4.45Å
75K98.6Very high96.1Very high39 Ų3932.7 Ų32.717%0.1721%0.209CC..G310 helixtrans-76.52.5179.2-66.1-173.8-64.6-159.70114.5G28 G29 V31 H73 F77 C78 N121G28-K75 VanDerWaalsContact O-CE 3.29Å; G28-K75 WeakPolarHBondContact O-CE 3.45Å; G28-K75 PolarHBondContact O-NZ 3.39Å; G29-K75 WeakPolarHBondContact O-CB 3.49Å; G29-K75 WeakPolarHBondContact O-CE 3.48Å; G29-K75 VanDerWaalsContact O-CG 3.31Å; G29-K75 WeakPolarHBondContact O-CG 3.44Å; G29-K75 PolarHBondContact O-N 3.15Å; G29-K75 VanDerWaalsContact O-N 3.12Å; V31-K75 WeakPolarHBondContact O-CD 3.45Å; V31-K75 VanDerWaalsContact O-CE 3.23Å; V31-K75 WeakPolarHBondContact O-CE 3.39Å; V31-K75 PolarHBondContact O-NZ 2.86Å; H73-K75 VanDerWaalsContact C-N 3.25Å; H73-K75 PolarHBondContact O-N 3.38Å; K75-F77 PolarHBondContact O-N 2.91Å; K75-C78 WeakPolarHBondContact CA-O 3.26Å; K75-C78 WeakPolarHBondContact CB-O 3.36Å; K75-N121 PolarHBondContact O-ND2 2.83Å
76S98.1Very high96.2Very high12 Ų1230.6 Ų30.68%0.08420%0.197CC..G310 helixtrans-63.4-23.9169.8-63.30000112.2L72 H73 L74L72-S76 PolarHBondContact N-OG 3Å; H73-S76 PolarHBondContact N-OG 3.19Å; H73-S76 WeakPolarHBondContact O-CB 3.34Å; H73-S76 PolarHBondContact O-N 3.46Å; H73-S76 PolarHBondContact O-OG 2.95Å; H73-S76 VanDerWaalsContact O-OG 3.13Å; L74-S76 PolarHBondContact O-N 2.81Å
77F98.4Very high96.2Very high7 Ų730.6 Ų30.63%0.03120%0.197CC..SBendtrans-130.27.3-178.552.9-103.4000114V68 L74 K75 I88 G89 A94 A97 D117 A120V68-F77 HydrophobicContact CG1-CE1 4.31Å; L74-F77 HydrophobicContact CD1-CE2 3.77Å; L74-F77 HydrophobicContact CD1-CZ 3.76Å; L74-F77 WeakPolarHBondContact O-CE2 3.33Å; L74-F77 PolarHBondContact O-N 3.4Å; K75-F77 PolarHBondContact O-N 2.91Å; F77-I88 HydrophobicContact CD2-CD1 4.03Å; F77-I88 WeakPolarHBondContact O-CA 3.4Å; F77-G89 PolarHBondContact O-N 3.48Å; F77-A94 HydrophobicContact CB-CB 3.86Å; F77-A94 HydrophobicContact CD2-CB 3.81Å; F77-A94 HydrophobicContact CG-CB 3.93Å; F77-A97 HydrophobicContact CE2-CB 3.61Å; F77-A97 HydrophobicContact CZ-CB 3.83Å; F77-D117 WeakPolarHBondContact CA-O 3.5Å; F77-D117 HydrophobicContact CB-CB 3.92Å; F77-A120 VanDerWaalsContact O-CB 3.23Å; F77-A120 WeakPolarHBondContact O-CB 3.35Å
78C98.7Very high96.3Very high0 Ų026.8 Ų26.80%017%0.172CC..EExtended strand (participates in β ladder)trans-153.5160.6175.572.10000114.1L74 K75 I86 A87 I88 A120L74-C78 PolarHBondContact O-SG 3.25Å; K75-C78 WeakPolarHBondContact CA-O 3.26Å; K75-C78 WeakPolarHBondContact CB-O 3.36Å; C78-I86 HydrophobicContact CB-CG2 4.39Å; C78-A87 WeakPolarHBondContact CA-O 3.22Å; C78-A87 VanDerWaalsContact CB-O 3.26Å; C78-A87 WeakPolarHBondContact CB-O 3.49Å; C78-I88 HydrophobicContact CB-CD1 3.64Å; C78-A120 CarbonylContact C-O 3.52Å
79S98.9Very high96.4Very high3 Ų325.9 Ų25.92%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-164.5175.9167.860.50000110.8I86 A87 A120 C122S79-I86 CarbonylContact O-C 3.52Å; S79-I86 WeakPolarHBondContact O-CA 3.46Å; S79-A87 PolarHBondContact N-O 3.41Å; S79-A87 VanDerWaalsContact N-O 3.1Å; S79-A87 PolarHBondContact O-N 2.95Å; S79-A120 PolarHBondContact N-O 3.33Å; S79-A120 PolarHBondContact OG-O 3.37Å; S79-C122 PolarHBondContact OG-N 2.86Å; S79-C122 PolarHBondContact OG-O 3.09Å; S79-C122 PolarHBondContact OG-SG 3.46Å
80M98.8Very high97Very high26 Ų2624.6 Ų24.613%0.12815%0.152CC..EExtended strand (participates in β ladder)trans-81.3120.7170.7-62.2-53.2-62.300109.7L32 F33 T34 G82 I86 Y124L32-M80 HydrophobicContact CD1-CG 3.93Å; L32-M80 HydrophobicContact CD1-SD 4.12Å; L32-M80 HydrophobicContact CG-SD 4.49Å; F33-M80 WeakPolarHBondContact O-CG 3.23Å; T34-M80 HydrophobicContact CG2-SD 4.03Å; M80-G82 WeakPolarHBondContact CE-O 3.2Å; M80-I86 HydrophobicContact CE-CG1 4.23Å; M80-I86 HydrophobicContact SD-CG1 3.83Å; M80-Y124 VanDerWaalsContact O-CB 3.22Å; M80-Y124 WeakPolarHBondContact O-CB 3.45Å
81A98.8Very high97.7Very high0 Ų021.8 Ų21.80%014%0.14CC..EExtended strand (participates in β ladder)trans-96.6-7.1174.500000113.3L85 A87 L112 L134 H155A81-L85 HydrophobicContact CB-CD2 4Å; A81-L85 HydrophobicContact CB-CG 4.14Å; A81-L85 PolarHBondContact N-O 3.41Å; A81-A87 HydrophobicContact CB-CB 3.93Å; A81-L112 HydrophobicContact CB-CD2 4.23Å; A81-L134 HydrophobicContact CB-CD1 4.22Å; A81-L134 HydrophobicContact CB-CD2 4.24Å; A81-L134 WeakPolarHBondContact O-CD1 3.46Å; A81-H155 PolarHBondContact O-NE2 2.92Å
82G98.4Very high98.2Very high2 Ų225.3 Ų25.32%0.02114%0.141CC..EExtended strand (participates in β ladder)trans176.4178.4179.400000111.4M80 N84 L85M80-G82 WeakPolarHBondContact CE-O 3.2Å; G82-N84 PolarHBondContact O-N 3.33Å; G82-L85 PolarHBondContact N-O 2.86Å; G82-L85 PolarHBondContact O-N 2.84Å; G82-L85 VanDerWaalsContact O-N 3.17Å
83P97.9Very high98.4Very high82 Ų8224.4 Ų24.453%0.53214%0.139SC..THydrogen-bonded Turntrans-60.3128.3169.8-1631.6000108.8L85 Y124P83-L85 PolarHBondContact O-N 2.85Å; P83-L85 VanDerWaalsContact O-N 3.13Å; P83-Y124 WeakPolarHBondContact CD-OH 3.33Å; P83-Y124 HydrophobicContact CG-CE1 4.34Å; P83-Y124 WeakPolarHBondContact CG-OH 3.31Å
84N97.9Very high98.4Very high32 Ų3223.4 Ų23.417%0.17113%0.134CC..THydrogen-bonded Turntrans64.62.1-176.1-154.656.2000116.6R36 G82 R108 D110R36-N84 VanDerWaalsContact CZ-OD1 3.27Å; R36-N84 PolarHBondContact NH1-OD1 3.43Å; R36-N84 PolarHBondContact NH2-OD1 2.9Å; G82-N84 PolarHBondContact O-N 3.33Å; N84-R108 PolarHBondContact ND2-O 3.31Å; N84-R108 VanDerWaalsContact ND2-O 3.17Å; N84-R108 PolarHBondContact OD1-O 2.8Å; N84-D110 PolarHBondContact ND2-OD2 3.48Å; N84-D110 PolarHBondContact O-N 2.99Å
85L98.6Very high98.4Very high27 Ų2726 Ų2614%0.14115%0.146CC..EExtended strand (participates in β ladder)trans-114.7114.2-172.7-174.666.3000111.4A81 G82 P83 D110 L112 L152A81-L85 HydrophobicContact CB-CD2 4Å; A81-L85 HydrophobicContact CB-CG 4.14Å; A81-L85 PolarHBondContact N-O 3.41Å; G82-L85 PolarHBondContact N-O 2.86Å; G82-L85 PolarHBondContact O-N 2.84Å; G82-L85 VanDerWaalsContact O-N 3.17Å; P83-L85 PolarHBondContact O-N 2.85Å; P83-L85 VanDerWaalsContact O-N 3.13Å; L85-D110 HydrophobicContact CD1-CB 3.8Å; L85-L112 HydrophobicContact CD1-CB 4.08Å; L85-L112 HydrophobicContact CD2-CB 4.37Å; L85-L112 HydrophobicContact CG-CB 4.25Å; L85-L152 HydrophobicContact CD2-CD2 4.3Å
86I98.8Very high98.3Very high1 Ų129.6 Ų29.61%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-97.3119175.8-60.8175.6000108.9C78 S79 M80 Y109 D110 K111 L112C78-I86 HydrophobicContact CB-CG2 4.39Å; S79-I86 CarbonylContact O-C 3.52Å; S79-I86 WeakPolarHBondContact O-CA 3.46Å; M80-I86 HydrophobicContact CE-CG1 4.23Å; M80-I86 HydrophobicContact SD-CG1 3.83Å; I86-Y109 HydrophobicContact CD1-CD1 4.15Å; I86-Y109 HydrophobicContact CD1-CD2 4.14Å; I86-Y109 HydrophobicContact CD1-CG 3.76Å; I86-Y109 HydrophobicContact CG1-CD1 4.41Å; I86-Y109 HydrophobicContact CG1-CG 4.37Å; I86-D110 PolarHBondContact N-O 3.3Å; I86-K111 CarbonylContact O-C 3.58Å; I86-K111 WeakPolarHBondContact O-CA 3.41Å; I86-L112 PolarHBondContact O-N 3.23Å
87A98.9Very high98.3Very high0 Ų029.2 Ų29.20%016%0.16CC..EExtended strand (participates in β ladder)trans-73.1133.2163.500000109.1C78 S79 A81 L112 A120C78-A87 WeakPolarHBondContact CA-O 3.22Å; C78-A87 VanDerWaalsContact CB-O 3.26Å; C78-A87 WeakPolarHBondContact CB-O 3.49Å; S79-A87 PolarHBondContact N-O 3.41Å; S79-A87 VanDerWaalsContact N-O 3.1Å; S79-A87 PolarHBondContact O-N 2.95Å; A81-A87 HydrophobicContact CB-CB 3.93Å; A87-L112 WeakPolarHBondContact CA-O 3.44Å; A87-A120 HydrophobicContact CB-CB 4.44Å; A87-A120 WeakPolarHBondContact CB-O 3.41Å
88I98.8Very high98.3Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-144.3137.1-174.5-170.667.8000111F77 C78 A94 L98 K111 L112 T113 V114F77-I88 HydrophobicContact CD2-CD1 4.03Å; F77-I88 WeakPolarHBondContact O-CA 3.4Å; C78-I88 HydrophobicContact CB-CD1 3.64Å; I88-A94 HydrophobicContact CD1-CB 4.16Å; I88-A94 HydrophobicContact CG1-CB 4.41Å; I88-L98 HydrophobicContact CD1-CB 4.09Å; I88-L98 HydrophobicContact CG1-CB 4.03Å; I88-L98 HydrophobicContact CG1-CD2 4.14Å; I88-L98 HydrophobicContact CG1-CG 4.47Å; I88-L98 HydrophobicContact CG2-CD2 4.09Å; I88-K111 HydrophobicContact CG2-CB 4.26Å; I88-L112 PolarHBondContact N-O 3.13Å; I88-T113 HydrophobicContact CG2-CG2 4.5Å; I88-T113 WeakPolarHBondContact CG2-OG1 3.28Å; I88-T113 VanDerWaalsContact O-CA 3.31Å; I88-T113 WeakPolarHBondContact O-CA 3.35Å; I88-V114 PolarHBondContact O-N 2.86Å
89G98.7Very high98.3Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-64.1162172.100000113.9F77 Q95 V114 D117F77-G89 PolarHBondContact O-N 3.48Å; G89-Q95 PolarHBondContact O-NE2 3.46Å; G89-V114 CarbonylContact C-O 3.43Å; G89-D117 VanDerWaalsContact C-OD1 3.31Å; G89-D117 WeakPolarHBondContact CA-OD1 3.23Å
90S98.4Very high98.2Very high59 Ų5937.8 Ų37.841%0.41320%0.199SC..  trans-94.7-5.7-178.8-660000113.9T113 V114 D117S90-T113 VanDerWaalsContact OG-CG2 3.23Å; S90-T113 WeakPolarHBondContact OG-CG2 3.32Å; S90-V114 WeakPolarHBondContact CB-O 3.48Å; S90-V114 PolarHBondContact N-O 2.81Å; S90-V114 PolarHBondContact OG-O 2.89Å; S90-D117 PolarHBondContact N-OD1 3.47Å
91S98.2Very high98.2Very high40 Ų4036.6 Ų36.628%0.2819%0.193SC..SBendtrans-60.7158.1177.779.30000112.2S93 A94 Q95 D117S91-S93 PolarHBondContact O-N 3.3Å; S91-A94 PolarHBondContact O-N 2.9Å; S91-A94 WeakPolarHBondContact OG-CB 3.15Å; S91-A94 PolarHBondContact OG-N 2.96Å; S91-Q95 WeakPolarHBondContact O-CG 3.18Å; S91-Q95 PolarHBondContact O-N 3.1Å; S91-D117 WeakPolarHBondContact CB-OD1 3.3Å; S91-D117 WeakPolarHBondContact CB-OD2 3.43Å; S91-D117 PolarHBondContact N-OD1 2.97Å; S91-D117 PolarHBondContact OG-OD2 2.98Å
92E97.7Very high98Very high133 Ų13340.5 Ų40.562%0.62121%0.211SC*.Hα-helixtrans-58-40.5176-173.1-179.8170.900111.5Q95 K96E92-Q95 PolarHBondContact O-N 3.48Å; E92-K96 HydrophobicContact CG-CD 4.16Å; E92-K96 WeakPolarHBondContact O-CB 3.31Å; E92-K96 VanDerWaalsContact O-CG 3.26Å; E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.03Å; E92-K96 WeakPolarHBondContact OE1-CE 3.46Å; E92-K96 IonicContact OE1-NZ 3.45Å; E92-K96 PolarHBondContact OE1-NZ 3.31Å
93S97Very high97.9Very high29 Ų2946.9 Ų46.920%0.20324%0.24CC..Hα-helixtrans-68.3-42.9-179-59.70000111.7D70 S91 K96 A97D70-S93 WeakPolarHBondContact OD2-CB 3.21Å; D70-S93 PolarHBondContact OD2-OG 2.77Å; S91-S93 PolarHBondContact O-N 3.3Å; S93-K96 PolarHBondContact O-N 2.75Å; S93-A97 WeakPolarHBondContact O-CB 3.45Å; S93-A97 PolarHBondContact O-N 3.16Å
94A98.1Very high97.8Very high0 Ų048.3 Ų48.30%024%0.241CC..Hα-helixtrans-62.3-46.4174.100000111.9F77 I88 S91 K96 A97 L98F77-A94 HydrophobicContact CB-CB 3.86Å; F77-A94 HydrophobicContact CD2-CB 3.81Å; F77-A94 HydrophobicContact CG-CB 3.93Å; I88-A94 HydrophobicContact CD1-CB 4.16Å; I88-A94 HydrophobicContact CG1-CB 4.41Å; S91-A94 PolarHBondContact O-N 2.9Å; S91-A94 WeakPolarHBondContact OG-CB 3.15Å; S91-A94 PolarHBondContact OG-N 2.96Å; A94-K96 PolarHBondContact O-N 2.9Å; A94-A97 PolarHBondContact O-N 3Å; A94-L98 PolarHBondContact O-N 3.43Å
95Q98.2Very high97.7Very high54 Ų5447.4 Ų47.425%0.25224%0.237SC..Hα-helixtrans-68.1-34.3179.8-69-59.6-6200112.8G89 S91 E92 K99G89-Q95 PolarHBondContact O-NE2 3.46Å; S91-Q95 WeakPolarHBondContact O-CG 3.18Å; S91-Q95 PolarHBondContact O-N 3.1Å; E92-Q95 PolarHBondContact O-N 3.48Å; Q95-K99 WeakPolarHBondContact O-CB 3.22Å; Q95-K99 PolarHBondContact O-N 3.38Å
96K97.9Very high97.5Very high115 Ų11554.3 Ų54.350%0.527%0.274SS..Hα-helixtrans-63.5-48.1171.5-79.2173.8-178.6167.90111.5E92 S93 A94 L98 K99 I100E92-K96 HydrophobicContact CG-CD 4.16Å; E92-K96 WeakPolarHBondContact O-CB 3.31Å; E92-K96 VanDerWaalsContact O-CG 3.26Å; E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.03Å; E92-K96 WeakPolarHBondContact OE1-CE 3.46Å; E92-K96 IonicContact OE1-NZ 3.45Å; E92-K96 PolarHBondContact OE1-NZ 3.31Å; S93-K96 PolarHBondContact O-N 2.75Å; A94-K96 PolarHBondContact O-N 2.9Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 PolarHBondContact O-N 3.43Å; K96-K99 PolarHBondContact O-N 3.46Å; K96-I100 WeakPolarHBondContact O-CG1 3.15Å; K96-I100 PolarHBondContact O-N 2.98Å
97A97.8Very high97.3Very high4 Ų458.2 Ų58.23%0.03329%0.293CS..Hα-helixtrans-59.3-44.5177.200000111.5V66 F77 S93 A94 K99 I100 M101V66-A97 HydrophobicContact CG1-CB 3.94Å; F77-A97 HydrophobicContact CE2-CB 3.61Å; F77-A97 HydrophobicContact CZ-CB 3.83Å; S93-A97 WeakPolarHBondContact O-CB 3.45Å; S93-A97 PolarHBondContact O-N 3.16Å; A94-A97 PolarHBondContact O-N 3Å; A97-K99 PolarHBondContact O-N 3.03Å; A97-I100 PolarHBondContact O-N 3.43Å; A97-M101 WeakPolarHBondContact O-CG 3.44Å; A97-M101 PolarHBondContact O-N 3.02Å
98L97.9Very high97.2Very high3 Ų368.8 Ų68.82%0.01633%0.332CS..Hα-helixtrans-57.3-46.6174.4178.369000112.2I88 A94 K96 I100 M101 Q102 K111I88-L98 HydrophobicContact CD1-CB 4.09Å; I88-L98 HydrophobicContact CG1-CB 4.03Å; I88-L98 HydrophobicContact CG1-CD2 4.14Å; I88-L98 HydrophobicContact CG1-CG 4.47Å; I88-L98 HydrophobicContact CG2-CD2 4.09Å; A94-L98 PolarHBondContact O-N 3.43Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 PolarHBondContact O-N 3.43Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 PolarHBondContact O-N 3.05Å; L98-M101 HydrophobicContact CB-CE 4.46Å; L98-M101 HydrophobicContact CD1-CE 4.22Å; L98-M101 WeakPolarHBondContact O-CB 3.06Å; L98-M101 PolarHBondContact O-N 2.62Å; L98-Q102 HydrophobicContact CD1-CG 4.24Å; L98-Q102 HydrophobicContact CG-CG 4.38Å; L98-Q102 WeakPolarHBondContact O-CG 3.42Å; L98-Q102 PolarHBondContact O-N 2.65Å; L98-K111 HydrophobicContact CD2-CD 3.74Å
99K97.8Very high97.1Very high129 Ų12969.2 Ų69.256%0.56133%0.334SS*.Hα-helixtrans-61.1-40.6-179.9-174.3177.1179.2-178.40111.5Q95 K96 A97 Q102 Q103Q95-K99 WeakPolarHBondContact O-CB 3.22Å; Q95-K99 PolarHBondContact O-N 3.38Å; K96-K99 PolarHBondContact O-N 3.46Å; A97-K99 PolarHBondContact O-N 3.03Å; K99-Q102 PolarHBondContact O-N 3.16Å; K99-Q103 WeakPolarHBondContact O-CB 3.39Å; K99-Q103 VanDerWaalsContact O-CG 3.24Å; K99-Q103 WeakPolarHBondContact O-CG 3.48Å; K99-Q103 PolarHBondContact O-N 2.96Å
100I97.7Very high97.1Very high57 Ų5773.4 Ų73.429%0.29236%0.357SS..Hα-helixtrans-63-48.8175.3-65.8167.2000110.1V66 K96 A97 L98 Q102 Q103 M104V66-I100 HydrophobicContact CG1-CB 4.37Å; V66-I100 HydrophobicContact CG1-CG2 4.26Å; K96-I100 WeakPolarHBondContact O-CG1 3.15Å; K96-I100 PolarHBondContact O-N 2.98Å; A97-I100 PolarHBondContact O-N 3.43Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 PolarHBondContact O-N 3.05Å; I100-Q102 VanDerWaalsContact C-N 3.29Å; I100-Q102 PolarHBondContact O-N 2.99Å; I100-Q103 PolarHBondContact O-N 3.28Å; I100-Q103 VanDerWaalsContact O-N 3.09Å; I100-M104 HydrophobicContact CG2-CG 4.31Å; I100-M104 VanDerWaalsContact O-CG 3.3Å; I100-M104 WeakPolarHBondContact O-CG 3.23Å; I100-M104 PolarHBondContact O-N 2.98Å
101M97.8Very high97Very high2 Ų275.7 Ų75.71%0.0136%0.359CS..Hα-helixtrans-54.8-45.4176.5-71.8-170.5-69.100112L32 F39 V66 L74 A97 L98 Q103 M104 S105L32-M101 HydrophobicContact CD2-SD 4.09Å; F39-M101 HydrophobicContact CB-CG 4.19Å; F39-M101 HydrophobicContact CB-SD 3.76Å; F39-M101 HydrophobicContact CD1-CB 3.93Å; F39-M101 HydrophobicContact CD1-CG 3.58Å; F39-M101 HydrophobicContact CD1-SD 4.17Å; F39-M101 HydrophobicContact CD2-CB 4.4Å; F39-M101 HydrophobicContact CD2-CG 4.17Å; F39-M101 HydrophobicContact CD2-SD 3.78Å; F39-M101 HydrophobicContact CE1-CB 3.71Å; F39-M101 HydrophobicContact CE1-CG 3.93Å; F39-M101 WeakPolarHBondContact CE1-O 3.43Å; F39-M101 HydrophobicContact CE2-CB 4.2Å; F39-M101 HydrophobicContact CE2-CG 4.46Å; F39-M101 HydrophobicContact CE2-SD 4.4Å; F39-M101 HydrophobicContact CG-CB 4.26Å; F39-M101 HydrophobicContact CG-CG 3.71Å; F39-M101 HydrophobicContact CG-SD 3.62Å; F39-M101 HydrophobicContact CZ-CB 3.84Å; F39-M101 HydrophobicContact CZ-CG 4.34Å; F39-M101 WeakPolarHBondContact CZ-O 3.45Å; V66-M101 HydrophobicContact CG1-CG 4.39Å; V66-M101 HydrophobicContact CG2-CG 3.43Å; V66-M101 VanDerWaalsContact CG2-CG 3.43Å; V66-M101 HydrophobicContact CG2-SD 4.3Å; L74-M101 HydrophobicContact CD1-SD 4.45Å; A97-M101 WeakPolarHBondContact O-CG 3.44Å; A97-M101 PolarHBondContact O-N 3.02Å; L98-M101 HydrophobicContact CB-CE 4.46Å; L98-M101 HydrophobicContact CD1-CE 4.22Å; L98-M101 WeakPolarHBondContact O-CB 3.06Å; L98-M101 PolarHBondContact O-N 2.62Å; M101-Q103 VanDerWaalsContact C-N 3.34Å; M101-Q103 PolarHBondContact O-N 3.45Å; M101-M104 PolarHBondContact O-N 2.88Å; M101-S105 PolarHBondContact O-N 2.84Å
102Q95.8Very high97.1Very high81 Ų8174.7 Ų74.738%0.37935%0.351SS..Hα-helixtrans-68.6-29179.1-71-179.1-33.800113.6L98 K99 I100L98-Q102 HydrophobicContact CD1-CG 4.24Å; L98-Q102 HydrophobicContact CG-CG 4.38Å; L98-Q102 WeakPolarHBondContact O-CG 3.42Å; L98-Q102 PolarHBondContact O-N 2.65Å; K99-Q102 PolarHBondContact O-N 3.16Å; I100-Q102 VanDerWaalsContact C-N 3.29Å; I100-Q102 PolarHBondContact O-N 2.99Å
103Q96.9Very high97.1Very high137 Ų13770.7 Ų70.764%0.6434%0.335SS*.Hα-helixtrans-77.3-27.8176.7-76.6175.5-25.400112.9K99 I100 M101K99-Q103 WeakPolarHBondContact O-CB 3.39Å; K99-Q103 VanDerWaalsContact O-CG 3.24Å; K99-Q103 WeakPolarHBondContact O-CG 3.48Å; K99-Q103 PolarHBondContact O-N 2.96Å; I100-Q103 PolarHBondContact O-N 3.28Å; I100-Q103 VanDerWaalsContact O-N 3.09Å; M101-Q103 VanDerWaalsContact C-N 3.34Å; M101-Q103 PolarHBondContact O-N 3.45Å
104M95.3Very high97.2Very high111 Ų11169.3 Ų69.355%0.54733%0.325SS..SBendtrans-88-6.2-178.3-66.4-62.4-63.200113.4I100 M101I100-M104 HydrophobicContact CG2-CG 4.31Å; I100-M104 VanDerWaalsContact O-CG 3.3Å; I100-M104 WeakPolarHBondContact O-CG 3.23Å; I100-M104 PolarHBondContact O-N 2.98Å; M101-M104 PolarHBondContact O-N 2.88Å
105S95.4Very high97.2Very high13 Ų1372.2 Ų72.29%0.09135%0.345CS..  trans-116.7139.4-176.5177.30000111.4E37 M101 H107E37-S105 WeakPolarHBondContact OE1-CB 3.44Å; E37-S105 PolarHBondContact OE1-OG 2.82Å; E37-S105 PolarHBondContact OE2-OG 3.26Å; M101-S105 PolarHBondContact O-N 2.84Å; S105-H107 PolarHBondContact O-N 3.12Å; S105-H107 WeakPolarHBondContact OG-CB 3.4Å; S105-H107 PolarHBondContact OG-N 2.57Å
106D94.3Very high97.2Very high172 Ų17272 Ų7292%0.9235%0.345SS*.SBendtrans-77.5-7.4169.3-66.5-38.5000112.1
107H95.4Very high97.3Very high84 Ų8468.4 Ų68.439%0.38933%0.331SS..SBendtrans-93.9132.5-179.7-59.6-55.5000111.9E37 S105 Y109E37-H107 IonicContact OE1-CD2 3.41Å; E37-H107 PolarHBondContact OE1-CD2 2.94Å; S105-H107 PolarHBondContact O-N 3.12Å; S105-H107 WeakPolarHBondContact OG-CB 3.4Å; S105-H107 PolarHBondContact OG-N 2.57Å; H107-Y109 HydrophobicContact CB-CD2 4.46Å; H107-Y109 HydrophobicContact CB-CE2 3.81Å; H107-Y109 WeakPolarHBondContact O-CD2 3.26Å; H107-Y109 PolarHBondContact O-N 3.21Å
108R95.6Very high97.3Very high221 Ų22170.6 Ų70.683%0.83434%0.342SS*.  trans-87.8103.9172.5-172.9177.4175.9-179.5-1.7110.9N84N84-R108 PolarHBondContact ND2-O 3.31Å; N84-R108 VanDerWaalsContact ND2-O 3.17Å; N84-R108 PolarHBondContact OD1-O 2.8Å
109Y97.5Very high97.3Very high9 Ų970.4 Ų70.44%0.03534%0.341CS..  trans-84.9139.1172.3-61.1-79.6000111.9T34 E37 F39 I86 H107T34-Y109 HydrophobicContact CG2-CE1 4.06Å; T34-Y109 PolarHBondContact OG1-OH 3.28Å; E37-Y109 WeakPolarHBondContact OE1-CE2 3.13Å; E37-Y109 PolarHBondContact OE1-OH 3.48Å; F39-Y109 HydrophobicContact CE2-CE2 4.2Å; F39-Y109 HydrophobicContact CZ-CE2 4.4Å; I86-Y109 HydrophobicContact CD1-CD1 4.15Å; I86-Y109 HydrophobicContact CD1-CD2 4.14Å; I86-Y109 HydrophobicContact CD1-CG 3.76Å; I86-Y109 HydrophobicContact CG1-CD1 4.41Å; I86-Y109 HydrophobicContact CG1-CG 4.37Å; H107-Y109 HydrophobicContact CB-CD2 4.46Å; H107-Y109 HydrophobicContact CB-CE2 3.81Å; H107-Y109 WeakPolarHBondContact O-CD2 3.26Å; H107-Y109 PolarHBondContact O-N 3.21Å
110D97.9Very high97.4Very high89 Ų8964.3 Ų64.348%0.47631%0.314SS..EExtended strand (participates in β ladder)trans-75.2155164.1-61.9-54.4000109.6N84 L85 I86N84-D110 PolarHBondContact ND2-OD2 3.48Å; N84-D110 PolarHBondContact O-N 2.99Å; L85-D110 HydrophobicContact CD1-CB 3.8Å; I86-D110 PolarHBondContact N-O 3.3Å
111K97.8Very high97.4Very high106 Ų10661.6 Ų61.646%0.46130%0.301SS..EExtended strand (participates in β ladder)trans-126.4137.6-179.869.2-179-173.1173.40112.4I86 I88 L98I86-K111 CarbonylContact O-C 3.58Å; I86-K111 WeakPolarHBondContact O-CA 3.41Å; I88-K111 HydrophobicContact CG2-CB 4.26Å; L98-K111 HydrophobicContact CD2-CD 3.74Å
112L98.7Very high97.5Very high20 Ų2061.6 Ų61.611%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-107.494.8167.5-174.871.3000107.8A81 L85 I86 A87 I88 V148 Y149 L152A81-L112 HydrophobicContact CB-CD2 4.23Å; L85-L112 HydrophobicContact CD1-CB 4.08Å; L85-L112 HydrophobicContact CD2-CB 4.37Å; L85-L112 HydrophobicContact CG-CB 4.25Å; I86-L112 PolarHBondContact O-N 3.23Å; A87-L112 WeakPolarHBondContact CA-O 3.44Å; I88-L112 PolarHBondContact N-O 3.13Å; L112-V148 HydrophobicContact CD1-CG1 3.59Å; L112-V148 HydrophobicContact CG-CG1 3.93Å; L112-Y149 HydrophobicContact CD2-CD1 3.64Å; L112-Y149 HydrophobicContact CD2-CE1 3.49Å; L112-Y149 VanDerWaalsContact CD2-CE1 3.49Å; L112-L152 HydrophobicContact CD1-CD2 4.19Å; L112-L152 HydrophobicContact CD2-CD1 3.86Å; L112-L152 HydrophobicContact CD2-CG 4.49Å
113T98.8Very high97.6Very high48 Ų4858.4 Ų58.429%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-83.3123.4-179-600000110.6I88 S90I88-T113 HydrophobicContact CG2-CG2 4.5Å; I88-T113 WeakPolarHBondContact CG2-OG1 3.28Å; I88-T113 VanDerWaalsContact O-CA 3.31Å; I88-T113 WeakPolarHBondContact O-CA 3.35Å; S90-T113 VanDerWaalsContact OG-CG2 3.23Å; S90-T113 WeakPolarHBondContact OG-CG2 3.32Å
114V98.8Very high97.7Very high0 Ų054.1 Ų54.10%027%0.265CS..EExtended strand (participates in β ladder)trans-110.9148.1176.3-62.80000110.2I88 G89 S90 D116 A120 V148 Y149I88-V114 PolarHBondContact O-N 2.86Å; G89-V114 CarbonylContact C-O 3.43Å; S90-V114 WeakPolarHBondContact CB-O 3.48Å; S90-V114 PolarHBondContact N-O 2.81Å; S90-V114 PolarHBondContact OG-O 2.89Å; V114-D116 VanDerWaalsContact C-N 3.33Å; V114-D116 WeakPolarHBondContact CG2-O 3.31Å; V114-A120 HydrophobicContact CG2-CB 3.61Å; V114-V148 HydrophobicContact CG1-CB 4.09Å; V114-V148 HydrophobicContact CG1-CG1 3.92Å; V114-Y149 HydrophobicContact CG1-CE2 3.93Å
115P98.6Very high97.9Very high62 Ų6251.2 Ų51.240%0.40325%0.252SS..SBendtrans-67.3-32.4-179.324.5-32.5000113.1E144 S145P115-E144 HydrophobicContact CG-CB 3.64Å; P115-S145 WeakPolarHBondContact CD-OG 3.42Å
116D98.6Very high98Very high50 Ų5055.9 Ų55.927%0.26728%0.275SS..SBendtrans-101.8113.4-177.4-46.9-76.5000110.4V114 I118 A119 A120 Y142 S145V114-D116 VanDerWaalsContact C-N 3.33Å; V114-D116 WeakPolarHBondContact CG2-O 3.31Å; D116-I118 VanDerWaalsContact C-N 3.3Å; D116-I118 PolarHBondContact O-N 3.35Å; D116-A119 HydrophobicContact CB-CB 4.02Å; D116-A119 WeakPolarHBondContact O-CB 3.47Å; D116-A119 PolarHBondContact O-N 3.34Å; D116-A120 PolarHBondContact O-N 2.9Å; D116-Y142 HydrophobicContact CB-CD1 3.4Å; D116-Y142 HydrophobicContact CB-CE1 3.65Å; D116-Y142 HydrophobicContact CB-CG 4.28Å; D116-S145 WeakPolarHBondContact CB-OG 3.33Å; D116-S145 PolarHBondContact N-OG 3.13Å; D116-S145 VanDerWaalsContact N-OG 3.16Å; D116-S145 WeakPolarHBondContact OD2-CB 3.4Å; D116-S145 PolarHBondContact OD2-OG 2.97Å
117D98.4Very high98.1Very high38 Ų3850.5 Ų50.520%0.20325%0.246CC..G310 helixtrans-52.2-47-176.2-81.521.8000113F77 G89 S90 S91 A119 A120F77-D117 WeakPolarHBondContact CA-O 3.5Å; F77-D117 HydrophobicContact CB-CB 3.92Å; G89-D117 VanDerWaalsContact C-OD1 3.31Å; G89-D117 WeakPolarHBondContact CA-OD1 3.23Å; S90-D117 PolarHBondContact N-OD1 3.47Å; S91-D117 WeakPolarHBondContact CB-OD1 3.3Å; S91-D117 WeakPolarHBondContact CB-OD2 3.43Å; S91-D117 PolarHBondContact N-OD1 2.97Å; S91-D117 PolarHBondContact OG-OD2 2.98Å; D117-A119 PolarHBondContact O-N 3.32Å; D117-A120 WeakPolarHBondContact O-CB 3.2Å; D117-A120 PolarHBondContact O-N 2.62Å
118I98.3Very high98.1Very high50 Ų5051.4 Ų51.426%0.25626%0.259SS..G310 helixtrans-61.3-33.3-179.5-61.1-58.1000112D116 A120 N121 Y142 E166 L171D116-I118 VanDerWaalsContact C-N 3.3Å; D116-I118 PolarHBondContact O-N 3.35Å; I118-A120 PolarHBondContact O-N 3.07Å; I118-N121 WeakPolarHBondContact O-CB 3.38Å; I118-N121 PolarHBondContact O-N 3.1Å; I118-Y142 HydrophobicContact CG2-CE2 4.28Å; I118-E166 HydrophobicContact CG2-CG 4.26Å; I118-L171 HydrophobicContact CD1-CD1 4.26Å; I118-L171 HydrophobicContact CG2-CD1 4.09Å; I118-L171 HydrophobicContact CG2-CD2 3.4Å; I118-L171 HydrophobicContact CG2-CG 4.39Å
119A98.7Very high98.1Very high0 Ų049.3 Ų49.30%027%0.265CS..G310 helixtrans-74.2-10.4177.700000113.2D116 D117 N121 R137 Y142 Y149D116-A119 HydrophobicContact CB-CB 4.02Å; D116-A119 WeakPolarHBondContact O-CB 3.47Å; D116-A119 PolarHBondContact O-N 3.34Å; D117-A119 PolarHBondContact O-N 3.32Å; A119-N121 PolarHBondContact O-N 3.33Å; A119-R137 HydrophobicContact CB-CB 4.32Å; A119-R137 HydrophobicContact CB-CG 4.11Å; A119-Y142 HydrophobicContact CB-CD1 4.36Å; A119-Y142 HydrophobicContact CB-CD2 4.12Å; A119-Y142 HydrophobicContact CB-CG 3.89Å; A119-Y149 WeakPolarHBondContact O-CE2 3.32Å; A119-Y149 PolarHBondContact O-OH 2.99Å
120A98.8Very high98Very high0 Ų054.9 Ų54.90%029%0.289CS..G310 helixtrans-73.6-11.9171.200000112.6F77 C78 S79 A87 V114 D116 D117 I118 C122F77-A120 VanDerWaalsContact O-CB 3.23Å; F77-A120 WeakPolarHBondContact O-CB 3.35Å; C78-A120 CarbonylContact C-O 3.52Å; S79-A120 PolarHBondContact N-O 3.33Å; S79-A120 PolarHBondContact OG-O 3.37Å; A87-A120 HydrophobicContact CB-CB 4.44Å; A87-A120 WeakPolarHBondContact CB-O 3.41Å; V114-A120 HydrophobicContact CG2-CB 3.61Å; D116-A120 PolarHBondContact O-N 2.9Å; D117-A120 WeakPolarHBondContact O-CB 3.2Å; D117-A120 PolarHBondContact O-N 2.62Å; I118-A120 PolarHBondContact O-N 3.07Å; A120-C122 PolarHBondContact O-N 2.62Å
121N98.8Very high98Very high1 Ų152.1 Ų52.11%0.00528%0.281CS..  trans-79.9105.4168.9-166.3-89.9000109.8K75 I118 A119 L171 L172 T173K75-N121 PolarHBondContact O-ND2 2.83Å; I118-N121 WeakPolarHBondContact O-CB 3.38Å; I118-N121 PolarHBondContact O-N 3.1Å; A119-N121 PolarHBondContact O-N 3.33Å; N121-L171 HydrophobicContact CB-CB 3.9Å; N121-L171 HydrophobicContact CB-CD1 3.59Å; N121-L171 HydrophobicContact CB-CG 4.4Å; N121-L171 WeakPolarHBondContact OD1-CB 3.32Å; N121-L172 PolarHBondContact OD1-N 2.98Å; N121-L172 VanDerWaalsContact OD1-N 3.11Å; N121-T173 PolarHBondContact ND2-OG1 3.21Å; N121-T173 WeakPolarHBondContact OD1-CG2 3.41Å; N121-T173 PolarHBondContact OD1-N 3.3Å; N121-T173 PolarHBondContact OD1-OG1 3.13Å; N121-T173 VanDerWaalsContact OD1-OG1 3.13Å
122C98.8Very high98Very high2 Ų250.1 Ų50.11%0.01427%0.274CS..  trans-132.4167.3179.565.70000110.1S79 A120 L134 L135 Y149 T173S79-C122 PolarHBondContact OG-N 2.86Å; S79-C122 PolarHBondContact OG-O 3.09Å; S79-C122 PolarHBondContact OG-SG 3.46Å; A120-C122 PolarHBondContact O-N 2.62Å; C122-L134 HydrophobicContact CB-CD1 4.12Å; C122-L135 WeakPolarHBondContact CA-O 3.13Å; C122-L135 WeakPolarHBondContact CB-O 3.3Å; C122-Y149 HydrophobicContact CB-CE1 4.39Å; C122-T173 VanDerWaalsContact O-CG2 3.32Å; C122-T173 WeakPolarHBondContact O-CG2 3.4Å
123V98.9Very high98Very high13 Ų1349.4 Ų49.48%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-120.6107.8178.1-177.60000109.3L125 L135 L172 T173 L178V123-L125 HydrophobicContact CG1-CD2 4.49Å; V123-L125 HydrophobicContact CG1-CG 4.23Å; V123-L135 HydrophobicContact CB-CB 4.18Å; V123-L135 PolarHBondContact N-O 2.98Å; V123-L135 PolarHBondContact O-N 3.08Å; V123-L172 HydrophobicContact CG2-CB 4.07Å; V123-T173 HydrophobicContact CG2-CG2 3.95Å; V123-L178 HydrophobicContact CG1-CD1 3.85Å
124Y98.8Very high98Very high48 Ų4847.1 Ų47.119%0.18826%0.256CS..EExtended strand (participates in β ladder)trans-85.8135.8172.1169.3-103.1000111.6M80 P83 H132M80-Y124 VanDerWaalsContact O-CB 3.22Å; M80-Y124 WeakPolarHBondContact O-CB 3.45Å; P83-Y124 WeakPolarHBondContact CD-OH 3.33Å; P83-Y124 HydrophobicContact CG-CE1 4.34Å; P83-Y124 WeakPolarHBondContact CG-OH 3.31Å; Y124-H132 HydrophobicContact CE2-CB 3.96Å; Y124-H132 AromaticContact CE2-ND1 3.55Å; Y124-H132 AromaticContact CZ-ND1 3.6Å; Y124-H132 PolarHBondContact OH-CE1 3.05Å; Y124-H132 PolarHBondContact OH-ND1 2.75Å
125L98.6Very high98Very high50 Ų5049.1 Ų49.126%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-136.7141.1176.4-64.5167000109.8V123 I127 V133 L135 L178V123-L125 HydrophobicContact CG1-CD2 4.49Å; V123-L125 HydrophobicContact CG1-CG 4.23Å; L125-I127 HydrophobicContact CB-CD1 3.92Å; L125-I127 HydrophobicContact CB-CG1 3.97Å; L125-I127 HydrophobicContact CD1-CD1 4.38Å; L125-V133 HydrophobicContact CB-CB 4.32Å; L125-V133 PolarHBondContact N-O 3.26Å; L125-V133 PolarHBondContact O-N 2.95Å; L125-L135 HydrophobicContact CD1-CD1 4.27Å; L125-L178 HydrophobicContact CD2-CD1 3.71Å; L125-L178 HydrophobicContact CD2-CD2 4.26Å
126N97.7Very high98Very high110 Ų11046.3 Ų46.359%0.58825%0.248SC*.EExtended strand (participates in β ladder)trans-103.3106.7164.7-173.712.4000108.9G131N126-G131 WeakPolarHBondContact CA-O 3.08Å; N126-G131 PolarHBondContact OD1-O 2.99Å
127I97.3Very high98Very high60 Ų6044 Ų4431%0.30824%0.235SC..EExtended strand (participates in β ladder)trans-106129.9-172.8-58.6-61.4000109.9L125 N129 K130 G131 V133L125-I127 HydrophobicContact CB-CD1 3.92Å; L125-I127 HydrophobicContact CB-CG1 3.97Å; L125-I127 HydrophobicContact CD1-CD1 4.38Å; I127-N129 PolarHBondContact O-N 2.92Å; I127-K130 HydrophobicContact CB-CB 4.09Å; I127-K130 HydrophobicContact CG2-CB 4.2Å; I127-K130 HydrophobicContact CG2-CD 3.99Å; I127-K130 HydrophobicContact CG2-CG 4.24Å; I127-K130 PolarHBondContact O-N 2.89Å; I127-G131 PolarHBondContact N-O 2.64Å; I127-G131 PolarHBondContact O-N 3.32Å; I127-V133 HydrophobicContact CB-CG2 4.11Å; I127-V133 HydrophobicContact CG1-CB 4.35Å; I127-V133 HydrophobicContact CG1-CG2 3.86Å
128P95.4Very high98Very high103 Ų10342.4 Ų42.467%0.66923%0.227SC*.THydrogen-bonded Turntrans-49.5132.9175.6-28.635.4000112K130P128-K130 PolarHBondContact O-N 2.93Å; P128-K130 VanDerWaalsContact O-N 3.1Å
129N94.6Very high98Very high177 Ų17742.1 Ų42.195%0.94723%0.229SC*.THydrogen-bonded Turntrans65.8-2.3-177.7-46.2-50.4000116.4I127I127-N129 PolarHBondContact O-N 2.92Å
130K95.4Very high98Very high126 Ų12649.5 Ų49.555%0.54826%0.263SS..THydrogen-bonded Turntrans-114.9-21.6174.3-63-175.3179.2-177.20113.2I127 P128 V133 M156I127-K130 HydrophobicContact CB-CB 4.09Å; I127-K130 HydrophobicContact CG2-CB 4.2Å; I127-K130 HydrophobicContact CG2-CD 3.99Å; I127-K130 HydrophobicContact CG2-CG 4.24Å; I127-K130 PolarHBondContact O-N 2.89Å; P128-K130 PolarHBondContact O-N 2.93Å; P128-K130 VanDerWaalsContact O-N 3.1Å; K130-V133 HydrophobicContact CB-CG2 4.04Å; K130-M156 HydrophobicContact CB-CE 3.92Å; K130-M156 HydrophobicContact CB-SD 4.39Å; K130-M156 HydrophobicContact CD-CE 4.13Å; K130-M156 HydrophobicContact CD-SD 3.98Å; K130-M156 HydrophobicContact CG-CE 4.01Å; K130-M156 HydrophobicContact CG-SD 4.48Å
131G97.4Very high98Very high30 Ų3051.4 Ų51.431%0.30927%0.272SS..EExtended strand (participates in β ladder)trans71.8-137.9-178.300000112N126 I127 V133N126-G131 WeakPolarHBondContact CA-O 3.08Å; N126-G131 PolarHBondContact OD1-O 2.99Å; I127-G131 PolarHBondContact N-O 2.64Å; I127-G131 PolarHBondContact O-N 3.32Å; G131-V133 PolarHBondContact O-N 2.92Å
132H98.4Very high98Very high65 Ų6553.1 Ų53.130%0.30128%0.279SS..EExtended strand (participates in β ladder)trans-70.4112.2-178.8-57-60.3000110.9Y124 H155 M156Y124-H132 HydrophobicContact CE2-CB 3.96Å; Y124-H132 AromaticContact CE2-ND1 3.55Å; Y124-H132 AromaticContact CZ-ND1 3.6Å; Y124-H132 PolarHBondContact OH-CE1 3.05Å; Y124-H132 PolarHBondContact OH-ND1 2.75Å; H132-H155 CarbonylContact O-C 3.48Å; H132-H155 WeakPolarHBondContact O-CA 3.43Å; H132-M156 PolarHBondContact O-N 2.89Å
133V98.8Very high98Very high5 Ų556 Ų563%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-112135.3174.8-178.80000108.4L125 I127 K130 G131 L135 M156 I158L125-V133 HydrophobicContact CB-CB 4.32Å; L125-V133 PolarHBondContact N-O 3.26Å; L125-V133 PolarHBondContact O-N 2.95Å; I127-V133 HydrophobicContact CB-CG2 4.11Å; I127-V133 HydrophobicContact CG1-CB 4.35Å; I127-V133 HydrophobicContact CG1-CG2 3.86Å; K130-V133 HydrophobicContact CB-CG2 4.04Å; G131-V133 PolarHBondContact O-N 2.92Å; V133-L135 HydrophobicContact CG1-CD1 4.01Å; V133-M156 WeakPolarHBondContact CA-O 3.5Å; V133-M156 HydrophobicContact CG2-CB 4.18Å; V133-M156 HydrophobicContact CG2-SD 4.16Å; V133-I158 HydrophobicContact CG1-CD1 3.59Å; V133-I158 HydrophobicContact CG1-CG1 4.2Å
134L98.9Very high98Very high0 Ų060.1 Ų60.10%032%0.316CS..EExtended strand (participates in β ladder)trans-132116-180-169.465.7000110.9A81 C122 Y149 L152 M156 L157 I158A81-L134 HydrophobicContact CB-CD1 4.22Å; A81-L134 HydrophobicContact CB-CD2 4.24Å; A81-L134 WeakPolarHBondContact O-CD1 3.46Å; C122-L134 HydrophobicContact CB-CD1 4.12Å; L134-Y149 HydrophobicContact CD2-CD1 3.63Å; L134-Y149 HydrophobicContact CD2-CE1 3.84Å; L134-L152 HydrophobicContact CD2-CD1 3.65Å; L134-M156 PolarHBondContact N-O 2.8Å; L134-L157 HydrophobicContact CB-CD2 4.02Å; L134-L157 HydrophobicContact CD2-CD2 4.06Å; L134-I158 PolarHBondContact O-N 3.46Å
135L98.9Very high98Very high41 Ų4157.9 Ų57.922%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-86.7121.7170.5-74.261.2000108.2C122 V123 L125 V133 I158 V160C122-L135 WeakPolarHBondContact CA-O 3.13Å; C122-L135 WeakPolarHBondContact CB-O 3.3Å; V123-L135 HydrophobicContact CB-CB 4.18Å; V123-L135 PolarHBondContact N-O 2.98Å; V123-L135 PolarHBondContact O-N 3.08Å; L125-L135 HydrophobicContact CD1-CD1 4.27Å; V133-L135 HydrophobicContact CG1-CD1 4.01Å; L135-I158 VanDerWaalsContact CA-O 3.31Å; L135-I158 WeakPolarHBondContact CA-O 3.34Å; L135-I158 HydrophobicContact CD1-CB 4.4Å; L135-I158 HydrophobicContact CD1-CD1 4.31Å; L135-I158 HydrophobicContact CG-CB 4.32Å; L135-V160 HydrophobicContact CB-CG2 4.09Å; L135-V160 HydrophobicContact CD2-CG2 4.09Å; L135-V160 HydrophobicContact CG-CG2 3.96Å
136H98.9Very high98Very high3 Ų355.6 Ų55.61%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-133.9166.4-179.469.685.9000111.4Y149 I158 P159 V160H136-Y149 HydrophobicContact CB-CD1 4.05Å; H136-Y149 HydrophobicContact CB-CD2 3.77Å; H136-Y149 HydrophobicContact CB-CE1 4.17Å; H136-Y149 HydrophobicContact CB-CE2 3.9Å; H136-Y149 HydrophobicContact CB-CG 3.85Å; H136-Y149 AromaticContact CG-CD2 3.9Å; H136-Y149 AromaticContact CG-CG 3.81Å; H136-Y149 AromaticContact ND1-CD2 3.89Å; H136-I158 PolarHBondContact N-O 3.18Å; H136-I158 VanDerWaalsContact N-O 3.11Å; H136-P159 CarbonylContact O-C 3.57Å; H136-P159 WeakPolarHBondContact O-CA 3.16Å; H136-V160 PolarHBondContact O-N 2.82Å
137R98.8Very high98.1Very high2 Ų255.1 Ų55.11%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-64.8147.4178.8-57.4-56.6-62.1-82.6-2.8111.8A119 E141 Y142 E166A119-R137 HydrophobicContact CB-CB 4.32Å; A119-R137 HydrophobicContact CB-CG 4.11Å; R137-E141 IonicContact CZ-OE2 2.62Å; R137-E141 IonicContact NE-OE2 3.62Å; R137-E141 PolarHBondContact NE-OE2 3.36Å; R137-E141 VanDerWaalsContact NH2-CD 3.26Å; R137-E141 IonicContact NH2-OE1 3.08Å; R137-E141 IonicContact NH2-OE2 2.82Å; R137-E141 PolarHBondContact NH2-OE2 3.03Å; R137-Y142 HydrophobicContact CB-CD2 3.91Å; R137-Y142 HydrophobicContact CG-CD2 4.12Å; R137-E166 IonicContact CZ-OE2 2.8Å; R137-E166 IonicContact NH1-OE2 2.66Å; R137-E166 PolarHBondContact NH1-OE2 2.65Å; R137-E166 IonicContact NH2-OE2 2.93Å; R137-E166 PolarHBondContact NH2-OE2 2.69Å
138T98.8Very high98.1Very high5 Ų553.4 Ų53.43%0.03128%0.28CS..  trans-74.9156.6-174.283.60000112.1E140 E141 Y142 P159 V160 S161T138-E140 WeakPolarHBondContact CB-OE2 3.46Å; T138-E140 PolarHBondContact O-N 3.32Å; T138-E140 PolarHBondContact OG1-N 3.29Å; T138-E140 PolarHBondContact OG1-OE2 3.06Å; T138-E141 PolarHBondContact O-N 3.33Å; T138-Y142 PolarHBondContact O-N 2.89Å; T138-P159 HydrophobicContact CG2-CB 4.03Å; T138-V160 WeakPolarHBondContact CG2-O 3.23Å; T138-S161 VanDerWaalsContact CG2-N 3.33Å; T138-S161 WeakPolarHBondContact CG2-OG 3.14Å
139P98.5Very high98.3Very high44 Ų4448.5 Ų48.529%0.28625%0.248SC..THydrogen-bonded Turntrans-64.5-21.817525.6-34.6000113.7E141 P143 A146P139-E141 VanDerWaalsContact C-N 3.33Å; P139-P143 VanDerWaalsContact O-CA 3.26Å; P139-P143 WeakPolarHBondContact O-CA 3.44Å; P139-P143 VanDerWaalsContact O-CB 3.31Å; P139-P143 WeakPolarHBondContact O-CB 3.37Å; P139-P143 WeakPolarHBondContact O-CD 3.31Å; P139-A146 HydrophobicContact CB-CB 3.79Å
140E98.6Very high98.5Very high154 Ų15444.6 Ų44.672%0.7222%0.224SC*.THydrogen-bonded Turntrans-70.8-30.5174.5-59.572.6-157.100112.3T138T138-E140 WeakPolarHBondContact CB-OE2 3.46Å; T138-E140 PolarHBondContact O-N 3.32Å; T138-E140 PolarHBondContact OG1-N 3.29Å; T138-E140 PolarHBondContact OG1-OE2 3.06Å
141E98.5Very high98.6Very high41 Ų4145.9 Ų45.919%0.19223%0.23CC..THydrogen-bonded Turntrans-88.5-47.9179.3-62.8174.815900111.1R137 T138 P139 S161 M162 S163R137-E141 IonicContact CZ-OE2 2.62Å; R137-E141 IonicContact NE-OE2 3.62Å; R137-E141 PolarHBondContact NE-OE2 3.36Å; R137-E141 VanDerWaalsContact NH2-CD 3.26Å; R137-E141 IonicContact NH2-OE1 3.08Å; R137-E141 IonicContact NH2-OE2 2.82Å; R137-E141 PolarHBondContact NH2-OE2 3.03Å; T138-E141 PolarHBondContact O-N 3.33Å; P139-E141 VanDerWaalsContact C-N 3.33Å; E141-S161 VanDerWaalsContact OE1-CA 3.23Å; E141-S161 WeakPolarHBondContact OE1-CA 3.5Å; E141-S161 WeakPolarHBondContact OE1-CB 3.43Å; E141-M162 PolarHBondContact OE1-N 2.92Å; E141-M162 PolarHBondContact OE2-N 2.93Å; E141-S163 WeakPolarHBondContact OE1-CB 3.4Å; E141-S163 PolarHBondContact OE1-N 3.46Å
142Y98.7Very high98.6Very high37 Ų3745.6 Ų45.615%0.14522%0.221CC..  trans-137.474.2-173.3-71.9-72.2000111.3D116 I118 A119 R137 T138 E144 S145 A146 E166D116-Y142 HydrophobicContact CB-CD1 3.4Å; D116-Y142 HydrophobicContact CB-CE1 3.65Å; D116-Y142 HydrophobicContact CB-CG 4.28Å; I118-Y142 HydrophobicContact CG2-CE2 4.28Å; A119-Y142 HydrophobicContact CB-CD1 4.36Å; A119-Y142 HydrophobicContact CB-CD2 4.12Å; A119-Y142 HydrophobicContact CB-CG 3.89Å; R137-Y142 HydrophobicContact CB-CD2 3.91Å; R137-Y142 HydrophobicContact CG-CD2 4.12Å; T138-Y142 PolarHBondContact O-N 2.89Å; Y142-E144 PolarHBondContact O-N 2.52Å; Y142-S145 PolarHBondContact O-N 3.23Å; Y142-A146 WeakPolarHBondContact O-CB 3.41Å; Y142-A146 PolarHBondContact O-N 3.26Å; Y142-E166 WeakPolarHBondContact CE2-OE2 3.4Å; Y142-E166 PolarHBondContact OH-OE1 2.53Å
143P98.7Very high98.5Very high63 Ų6351.1 Ų51.141%0.40924%0.244SC..Hα-helixtrans-61.4-41.1-170.220.5-31.9000113.4P139 K147P139-P143 VanDerWaalsContact O-CA 3.26Å; P139-P143 WeakPolarHBondContact O-CA 3.44Å; P139-P143 VanDerWaalsContact O-CB 3.31Å; P139-P143 WeakPolarHBondContact O-CB 3.37Å; P139-P143 WeakPolarHBondContact O-CD 3.31Å; P143-K147 WeakPolarHBondContact O-CG 3.44Å; P143-K147 PolarHBondContact O-N 3.11Å
144E98.8Very high98.4Very high99 Ų9956 Ų5646%0.46327%0.271SS..Hα-helixtrans-73.5-35-177.9-59.1-5012900112.1P115 Y142 K147P115-E144 HydrophobicContact CG-CB 3.64Å; Y142-E144 PolarHBondContact O-N 2.52Å; E144-K147 IonicContact OE1-NZ 2.67Å; E144-K147 PolarHBondContact OE1-NZ 3.05Å; E144-K147 IonicContact OE2-NZ 2.7Å; E144-K147 PolarHBondContact OE2-NZ 3.01Å
145S98.8Very high98.3Very high1 Ų157 Ų571%0.00728%0.275CS..Hα-helixtrans-71.2-38.4172.7-64.70000112.7P115 D116 Y142 K147 V148 Y149P115-S145 WeakPolarHBondContact CD-OG 3.42Å; D116-S145 WeakPolarHBondContact CB-OG 3.33Å; D116-S145 PolarHBondContact N-OG 3.13Å; D116-S145 VanDerWaalsContact N-OG 3.16Å; D116-S145 WeakPolarHBondContact OD2-CB 3.4Å; D116-S145 PolarHBondContact OD2-OG 2.97Å; Y142-S145 PolarHBondContact O-N 3.23Å; S145-K147 VanDerWaalsContact C-N 3.31Å; S145-K147 PolarHBondContact O-N 3.43Å; S145-V148 WeakPolarHBondContact O-CB 3.42Å; S145-V148 PolarHBondContact O-N 3.33Å; S145-Y149 VanDerWaalsContact O-CD2 3.23Å; S145-Y149 WeakPolarHBondContact O-CD2 3.35Å; S145-Y149 PolarHBondContact O-N 3.25Å
146A98.8Very high98.3Very high1 Ų158.9 Ų58.91%0.00828%0.284CS..Hα-helixtrans-58.5-42.1174.800000111.9P139 Y142 V148 Y149 E150P139-A146 HydrophobicContact CB-CB 3.79Å; Y142-A146 WeakPolarHBondContact O-CB 3.41Å; Y142-A146 PolarHBondContact O-N 3.26Å; A146-V148 PolarHBondContact O-N 3.16Å; A146-Y149 PolarHBondContact O-N 3.45Å; A146-Y149 VanDerWaalsContact O-N 3.08Å; A146-E150 WeakPolarHBondContact O-CG 3.34Å; A146-E150 PolarHBondContact O-N 3.11Å
147K98.8Very high98.3Very high100 Ų10061 Ų6144%0.43530%0.295SS..Hα-helixtrans-58.8-28173.5-70170.9-167.4168.80113.7P143 E144 S145 K151P143-K147 WeakPolarHBondContact O-CG 3.44Å; P143-K147 PolarHBondContact O-N 3.11Å; E144-K147 IonicContact OE1-NZ 2.67Å; E144-K147 PolarHBondContact OE1-NZ 3.05Å; E144-K147 IonicContact OE2-NZ 2.7Å; E144-K147 PolarHBondContact OE2-NZ 3.01Å; S145-K147 VanDerWaalsContact C-N 3.31Å; S145-K147 PolarHBondContact O-N 3.43Å; K147-K151 WeakPolarHBondContact O-CE 3.23Å; K147-K151 WeakPolarHBondContact O-CG 3.34Å
148V98.8Very high98.3Very high25 Ų2564.1 Ų64.115%0.15231%0.311CS..Hα-helixtrans-72.5-47.5174.6175.10000109.9L112 V114 S145 A146 E150 K151L112-V148 HydrophobicContact CD1-CG1 3.59Å; L112-V148 HydrophobicContact CG-CG1 3.93Å; V114-V148 HydrophobicContact CG1-CB 4.09Å; V114-V148 HydrophobicContact CG1-CG1 3.92Å; S145-V148 WeakPolarHBondContact O-CB 3.42Å; S145-V148 PolarHBondContact O-N 3.33Å; A146-V148 PolarHBondContact O-N 3.16Å; V148-E150 PolarHBondContact O-N 2.67Å; V148-K151 WeakPolarHBondContact O-CB 3.35Å; V148-K151 PolarHBondContact O-N 2.82Å
149Y98.8Very high98.3Very high0 Ų067.3 Ų67.30%033%0.332CS..Hα-helixtrans-61.2-41.9177.5-71.7-69.2000112.4L112 V114 A119 C122 L134 H136 S145 A146 K151 L152 L157L112-Y149 HydrophobicContact CD2-CD1 3.64Å; L112-Y149 HydrophobicContact CD2-CE1 3.49Å; L112-Y149 VanDerWaalsContact CD2-CE1 3.49Å; V114-Y149 HydrophobicContact CG1-CE2 3.93Å; A119-Y149 WeakPolarHBondContact O-CE2 3.32Å; A119-Y149 PolarHBondContact O-OH 2.99Å; C122-Y149 HydrophobicContact CB-CE1 4.39Å; L134-Y149 HydrophobicContact CD2-CD1 3.63Å; L134-Y149 HydrophobicContact CD2-CE1 3.84Å; H136-Y149 HydrophobicContact CB-CD1 4.05Å; H136-Y149 HydrophobicContact CB-CD2 3.77Å; H136-Y149 HydrophobicContact CB-CE1 4.17Å; H136-Y149 HydrophobicContact CB-CE2 3.9Å; H136-Y149 HydrophobicContact CB-CG 3.85Å; H136-Y149 AromaticContact CG-CD2 3.9Å; H136-Y149 AromaticContact CG-CG 3.81Å; H136-Y149 AromaticContact ND1-CD2 3.89Å; S145-Y149 VanDerWaalsContact O-CD2 3.23Å; S145-Y149 WeakPolarHBondContact O-CD2 3.35Å; S145-Y149 PolarHBondContact O-N 3.25Å; A146-Y149 PolarHBondContact O-N 3.45Å; A146-Y149 VanDerWaalsContact O-N 3.08Å; Y149-K151 PolarHBondContact O-N 2.88Å; Y149-L152 HydrophobicContact CD1-CD1 4.25Å; Y149-L152 WeakPolarHBondContact O-CB 3.39Å; Y149-L152 WeakPolarHBondContact O-CG 3.46Å; Y149-L152 PolarHBondContact O-N 2.58Å; Y149-L157 WeakPolarHBondContact O-CD1 3.46Å
150E98.3Very high98.3Very high95 Ų9567 Ų6744%0.44433%0.329SS..THydrogen-bonded Turntrans-57.4-14.7178.8-74.1171-177.300114.6A146 V148 K153A146-E150 WeakPolarHBondContact O-CG 3.34Å; A146-E150 PolarHBondContact O-N 3.11Å; V148-E150 PolarHBondContact O-N 2.67Å; E150-K153 PolarHBondContact O-NZ 3.49Å
151K98.1Very high98.3Very high153 Ų15363.5 Ų63.567%0.66532%0.322SS*.THydrogen-bonded Turntrans-81-16.2175.2-63.7170.8-173.7174.70113.2K147 V148 Y149 K153K147-K151 WeakPolarHBondContact O-CE 3.23Å; K147-K151 WeakPolarHBondContact O-CG 3.34Å; V148-K151 WeakPolarHBondContact O-CB 3.35Å; V148-K151 PolarHBondContact O-N 2.82Å; Y149-K151 PolarHBondContact O-N 2.88Å; K151-K153 PolarHBondContact O-N 3Å
152L97.9Very high98.3Very high24 Ų2463 Ų6313%0.12632%0.32CS..  trans-74.688.6176.2-61.9177.7000110.5L85 L112 L134 Y149 D154 H155 L157L85-L152 HydrophobicContact CD2-CD2 4.3Å; L112-L152 HydrophobicContact CD1-CD2 4.19Å; L112-L152 HydrophobicContact CD2-CD1 3.86Å; L112-L152 HydrophobicContact CD2-CG 4.49Å; L134-L152 HydrophobicContact CD2-CD1 3.65Å; Y149-L152 HydrophobicContact CD1-CD1 4.25Å; Y149-L152 WeakPolarHBondContact O-CB 3.39Å; Y149-L152 WeakPolarHBondContact O-CG 3.46Å; Y149-L152 PolarHBondContact O-N 2.58Å; L152-D154 VanDerWaalsContact C-N 3.28Å; L152-D154 PolarHBondContact O-N 3.38Å; L152-H155 HydrophobicContact CB-CB 4.08Å; L152-H155 PolarHBondContact O-N 3.2Å; L152-L157 HydrophobicContact CB-CD2 4.34Å; L152-L157 HydrophobicContact CD1-CD2 4.37Å
153K95.7Very high98.3Very high180 Ų18063.8 Ų63.878%0.78333%0.33SS*.THydrogen-bonded Turntrans-76.7-15.4-177.1-58.2-49-175.8-1670114.1E150 K151E150-K153 PolarHBondContact O-NZ 3.49Å; K151-K153 PolarHBondContact O-N 3Å
154D95.8Very high98.2Very high109 Ų10966.8 Ų66.858%0.58334%0.339SS*.THydrogen-bonded Turntrans-89.7-2.4177.861.5-30.4000113.3L152L152-D154 VanDerWaalsContact C-N 3.28Å; L152-D154 PolarHBondContact O-N 3.38Å
155H98.3Very high98.2Very high21 Ų2166 Ų6610%0.09734%0.338CS..SBendtrans-112141.4179.8-67.769.1000111.7A81 H132 L152 L157A81-H155 PolarHBondContact O-NE2 2.92Å; H132-H155 CarbonylContact O-C 3.48Å; H132-H155 WeakPolarHBondContact O-CA 3.43Å; L152-H155 HydrophobicContact CB-CB 4.08Å; L152-H155 PolarHBondContact O-N 3.2Å; H155-L157 HydrophobicContact CB-CD2 3.87Å; H155-L157 HydrophobicContact CB-CG 4.4Å; H155-L157 PolarHBondContact O-N 3.08Å
156M98.5Very high98.2Very high80 Ų8068.2 Ų68.239%0.39435%0.348SS..EExtended strand (participates in β ladder)trans-78.8100.3159.5-179.9-179.2-63.400108.5K130 H132 V133 L134K130-M156 HydrophobicContact CB-CE 3.92Å; K130-M156 HydrophobicContact CB-SD 4.39Å; K130-M156 HydrophobicContact CD-CE 4.13Å; K130-M156 HydrophobicContact CD-SD 3.98Å; K130-M156 HydrophobicContact CG-CE 4.01Å; K130-M156 HydrophobicContact CG-SD 4.48Å; H132-M156 PolarHBondContact O-N 2.89Å; V133-M156 WeakPolarHBondContact CA-O 3.5Å; V133-M156 HydrophobicContact CG2-CB 4.18Å; V133-M156 HydrophobicContact CG2-SD 4.16Å; L134-M156 PolarHBondContact N-O 2.8Å
157L98.8Very high98.1Very high47 Ų4775 Ų7525%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-82.6131.6-178.8-59.8176.3000111.1L134 Y149 L152 H155L134-L157 HydrophobicContact CB-CD2 4.02Å; L134-L157 HydrophobicContact CD2-CD2 4.06Å; Y149-L157 WeakPolarHBondContact O-CD1 3.46Å; L152-L157 HydrophobicContact CB-CD2 4.34Å; L152-L157 HydrophobicContact CD1-CD2 4.37Å; H155-L157 HydrophobicContact CB-CD2 3.87Å; H155-L157 HydrophobicContact CB-CG 4.4Å; H155-L157 PolarHBondContact O-N 3.08Å
158I98.8Very high98Very high67 Ų6775.4 Ų75.434%0.34439%0.388SS..EExtended strand (participates in β ladder)trans-126.4104177.3-56-179.8000108.3V133 L134 L135 H136 V160V133-I158 HydrophobicContact CG1-CD1 3.59Å; V133-I158 HydrophobicContact CG1-CG1 4.2Å; L134-I158 PolarHBondContact O-N 3.46Å; L135-I158 VanDerWaalsContact CA-O 3.31Å; L135-I158 WeakPolarHBondContact CA-O 3.34Å; L135-I158 HydrophobicContact CD1-CB 4.4Å; L135-I158 HydrophobicContact CD1-CD1 4.31Å; L135-I158 HydrophobicContact CG-CB 4.32Å; H136-I158 PolarHBondContact N-O 3.18Å; H136-I158 VanDerWaalsContact N-O 3.11Å; I158-V160 HydrophobicContact CG2-CG2 4.17Å; I158-V160 PolarHBondContact O-N 3.2Å
159P98.7Very high97.9Very high72 Ų7279.1 Ų79.147%0.46841%0.406SS..EExtended strand (participates in β ladder)trans-65.3131.8172.6-20.132.6000110.8H136 T138H136-P159 CarbonylContact O-C 3.57Å; H136-P159 WeakPolarHBondContact O-CA 3.16Å; T138-P159 HydrophobicContact CG2-CB 4.03Å
160V98.8Very high97.7Very high39 Ų3979.7 Ų79.724%0.23641%0.413CS..EExtended strand (participates in β ladder)trans-132.5125.2179.1-179.60000110.2L135 H136 T138 I158 M162 L172L135-V160 HydrophobicContact CB-CG2 4.09Å; L135-V160 HydrophobicContact CD2-CG2 4.09Å; L135-V160 HydrophobicContact CG-CG2 3.96Å; H136-V160 PolarHBondContact O-N 2.82Å; T138-V160 WeakPolarHBondContact CG2-O 3.23Å; I158-V160 HydrophobicContact CG2-CG2 4.17Å; I158-V160 PolarHBondContact O-N 3.2Å; V160-M162 HydrophobicContact CG1-CE 4.43Å; V160-L172 HydrophobicContact CB-CD2 3.92Å; V160-L172 HydrophobicContact CG1-CD2 3.76Å
161S98.6Very high97.7Very high80 Ų8075.4 Ų75.456%0.55939%0.393SS*.  trans-75137.6174.8-56.50000111T138 E141T138-S161 VanDerWaalsContact CG2-N 3.33Å; T138-S161 WeakPolarHBondContact CG2-OG 3.14Å; E141-S161 VanDerWaalsContact OE1-CA 3.23Å; E141-S161 WeakPolarHBondContact OE1-CA 3.5Å; E141-S161 WeakPolarHBondContact OE1-CB 3.43Å
162M98.3Very high97.7Very high30 Ų3068.6 Ų68.615%0.14836%0.364CS..  trans-142.710178.5-158.953.967.400112.8E141 V160 E164 L165 E166 L172E141-M162 PolarHBondContact OE1-N 2.92Å; E141-M162 PolarHBondContact OE2-N 2.93Å; V160-M162 HydrophobicContact CG1-CE 4.43Å; M162-E164 VanDerWaalsContact C-N 3.28Å; M162-E164 PolarHBondContact O-N 3.23Å; M162-E164 VanDerWaalsContact O-N 3.13Å; M162-L165 HydrophobicContact CG-CB 4.36Å; M162-L165 PolarHBondContact O-N 3.16Å; M162-L165 HydrophobicContact SD-CB 3.87Å; M162-L165 HydrophobicContact SD-CD1 3.72Å; M162-L165 HydrophobicContact SD-CG 4.14Å; M162-E166 WeakPolarHBondContact O-CB 3.26Å; M162-E166 PolarHBondContact O-N 2.86Å; M162-L172 HydrophobicContact CB-CD2 4.05Å; M162-L172 HydrophobicContact CE-CD2 3.66Å; M162-L172 HydrophobicContact CG-CD2 4.33Å
163S97.8Very high97.8Very high53 Ų5368.8 Ų68.837%0.37137%0.366SS..Hα-helixtrans-51.9-37.3-173.858.10000115.2E141E141-S163 WeakPolarHBondContact OE1-CB 3.4Å; E141-S163 PolarHBondContact OE1-N 3.46Å
164E98.5Very high97.8Very high126 Ų12663.5 Ų63.559%0.58935%0.351SS*.Hα-helixtrans-72.6-43.6-178.9-67-56.4130.200112.9M162 E166 K167M162-E164 VanDerWaalsContact C-N 3.28Å; M162-E164 PolarHBondContact O-N 3.23Å; M162-E164 VanDerWaalsContact O-N 3.13Å; E164-E166 VanDerWaalsContact C-N 3.3Å; E164-K167 WeakPolarHBondContact O-CB 3.05Å; E164-K167 PolarHBondContact O-N 2.71Å; E164-K167 IonicContact OE1-NZ 3.11Å; E164-K167 PolarHBondContact OE1-NZ 2.83Å; E164-K167 IonicContact OE2-NZ 3.89Å; E164-K167 PolarHBondContact OE2-NZ 3.45Å
165L98.2Very high97.8Very high83 Ų8361.8 Ų61.844%0.43535%0.347SS..Hα-helixtrans-73.5-27.4177.8-68-175.3000111.7M162 K167 V168 D169 G170 C175M162-L165 HydrophobicContact CG-CB 4.36Å; M162-L165 PolarHBondContact O-N 3.16Å; M162-L165 HydrophobicContact SD-CB 3.87Å; M162-L165 HydrophobicContact SD-CD1 3.72Å; M162-L165 HydrophobicContact SD-CG 4.14Å; L165-K167 PolarHBondContact O-N 2.8Å; L165-V168 CarbonylContact O-C 3.3Å; L165-V168 WeakPolarHBondContact O-CG2 3.36Å; L165-V168 PolarHBondContact O-N 2.96Å; L165-D169 PolarHBondContact O-N 3.31Å; L165-G170 CarbonylContact C-O 3.6Å; L165-G170 VanDerWaalsContact C-O 3.3Å; L165-G170 WeakPolarHBondContact O-CA 3.18Å; L165-G170 PolarHBondContact O-N 2.66Å; L165-C175 VanDerWaalsContact CD1-SG 3.55Å
166E97.8Very high97.7Very high47 Ų4763.6 Ų63.622%0.2236%0.361CS..Hα-helixtrans-61-31.6174.3-176.8-179.2154.200112.7I118 R137 Y142 M162 E164 V168 D169 G170 L171I118-E166 HydrophobicContact CG2-CG 4.26Å; R137-E166 IonicContact CZ-OE2 2.8Å; R137-E166 IonicContact NH1-OE2 2.66Å; R137-E166 PolarHBondContact NH1-OE2 2.65Å; R137-E166 IonicContact NH2-OE2 2.93Å; R137-E166 PolarHBondContact NH2-OE2 2.69Å; Y142-E166 WeakPolarHBondContact CE2-OE2 3.4Å; Y142-E166 PolarHBondContact OH-OE1 2.53Å; M162-E166 WeakPolarHBondContact O-CB 3.26Å; M162-E166 PolarHBondContact O-N 2.86Å; E164-E166 VanDerWaalsContact C-N 3.3Å; E166-V168 PolarHBondContact O-N 3.31Å; E166-D169 PolarHBondContact O-N 2.93Å; E166-G170 WeakPolarHBondContact CA-O 3.45Å; E166-G170 PolarHBondContact N-O 3.04Å; E166-G170 VanDerWaalsContact N-O 3.16Å; E166-L171 HydrophobicContact CG-CD2 4.16Å
167K97.8Very high97.6Very high145 Ų14564.1 Ų64.163%0.6337%0.369SS*.THydrogen-bonded Turntrans-58.3-17.8175.1-64.3171.3-170171.10113.3E164 L165E164-K167 WeakPolarHBondContact O-CB 3.05Å; E164-K167 PolarHBondContact O-N 2.71Å; E164-K167 IonicContact OE1-NZ 3.11Å; E164-K167 PolarHBondContact OE1-NZ 2.83Å; E164-K167 IonicContact OE2-NZ 3.89Å; E164-K167 PolarHBondContact OE2-NZ 3.45Å; L165-K167 PolarHBondContact O-N 2.8Å
168V96.7Very high97.6Very high108 Ų10867.1 Ų67.166%0.65539%0.385SS*.THydrogen-bonded Turntrans-123.433.1176.5-62.80000111.5L165 E166 G170L165-V168 CarbonylContact O-C 3.3Å; L165-V168 WeakPolarHBondContact O-CG2 3.36Å; L165-V168 PolarHBondContact O-N 2.96Å; E166-V168 PolarHBondContact O-N 3.31Å; V168-G170 PolarHBondContact O-N 3.35Å
169D95.3Very high97.5Very high102 Ų10267.2 Ų67.255%0.54539%0.385SS..THydrogen-bonded Turntrans6515.3176.3-53.3-54.4000115.6L72 L165 E166L72-D169 HydrophobicContact CD2-CB 3.56Å; L165-D169 PolarHBondContact O-N 3.31Å; E166-D169 PolarHBondContact O-N 2.93Å
170G96.3Very high97.3Very high13 Ų1370.8 Ų70.813%0.13440%0.4CS..  trans-84.8115.6176.100000112.6L165 E166 V168L165-G170 CarbonylContact C-O 3.6Å; L165-G170 VanDerWaalsContact C-O 3.3Å; L165-G170 WeakPolarHBondContact O-CA 3.18Å; L165-G170 PolarHBondContact O-N 2.66Å; E166-G170 WeakPolarHBondContact CA-O 3.45Å; E166-G170 PolarHBondContact N-O 3.04Å; E166-G170 VanDerWaalsContact N-O 3.16Å; V168-G170 PolarHBondContact O-N 3.35Å
171L97.9Very high96.9Very high5 Ų573.3 Ų73.33%0.02641%0.408CS..  trans-106.6-179.5177.5-50.1-170.6000111.9I118 N121 E166 T173 C174I118-L171 HydrophobicContact CD1-CD1 4.26Å; I118-L171 HydrophobicContact CG2-CD1 4.09Å; I118-L171 HydrophobicContact CG2-CD2 3.4Å; I118-L171 HydrophobicContact CG2-CG 4.39Å; N121-L171 HydrophobicContact CB-CB 3.9Å; N121-L171 HydrophobicContact CB-CD1 3.59Å; N121-L171 HydrophobicContact CB-CG 4.4Å; N121-L171 WeakPolarHBondContact OD1-CB 3.32Å; E166-L171 HydrophobicContact CG-CD2 4.16Å; L171-T173 PolarHBondContact O-N 3.39Å; L171-C174 PolarHBondContact N-SG 2.69Å; L171-C174 VanDerWaalsContact O-CB 3.31Å; L171-C174 WeakPolarHBondContact O-CB 3.31Å; L171-C174 PolarHBondContact O-N 2.91Å
172L98.3Very high96.2Very high9 Ų977.8 Ų77.85%0.04742%0.417CS..G310 helixtrans-55.5-47.8-175-68.4-179.2000112.7N121 V123 V160 M162 C174N121-L172 PolarHBondContact OD1-N 2.98Å; N121-L172 VanDerWaalsContact OD1-N 3.11Å; V123-L172 HydrophobicContact CG2-CB 4.07Å; V160-L172 HydrophobicContact CB-CD2 3.92Å; V160-L172 HydrophobicContact CG1-CD2 3.76Å; M162-L172 HydrophobicContact CB-CD2 4.05Å; M162-L172 HydrophobicContact CE-CD2 3.66Å; M162-L172 HydrophobicContact CG-CD2 4.33Å; L172-C174 PolarHBondContact O-N 3.19Å
173T98.3Very high95.2Very high28 Ų2882.7 Ų82.717%0.17245%0.449CS..G310 helixtrans-68.2-20.2-179.561.30000113.5N121 C122 V123 L171 C175N121-T173 PolarHBondContact ND2-OG1 3.21Å; N121-T173 WeakPolarHBondContact OD1-CG2 3.41Å; N121-T173 PolarHBondContact OD1-N 3.3Å; N121-T173 PolarHBondContact OD1-OG1 3.13Å; N121-T173 VanDerWaalsContact OD1-OG1 3.13Å; C122-T173 VanDerWaalsContact O-CG2 3.32Å; C122-T173 WeakPolarHBondContact O-CG2 3.4Å; V123-T173 HydrophobicContact CG2-CG2 3.95Å; L171-T173 PolarHBondContact O-N 3.39Å; T173-C175 PolarHBondContact O-N 2.99Å
174C96Very high93.7Very high70 Ų7087.1 Ų87.147%0.47347%0.468SS..G310 helixtrans-71.6-20.5-174.9-58.10000112.8L171 L172L171-C174 PolarHBondContact N-SG 2.69Å; L171-C174 VanDerWaalsContact O-CB 3.31Å; L171-C174 WeakPolarHBondContact O-CB 3.31Å; L171-C174 PolarHBondContact O-N 2.91Å; L172-C174 PolarHBondContact O-N 3.19Å
175C95.9Very high91.3Very high73 Ų7390 Ų9049%0.49350%0.503SS..G310 helixtrans-95.35.7-171.6-59.50000113.8L165 T173L165-C175 VanDerWaalsContact CD1-SG 3.55Å; T173-C175 PolarHBondContact O-N 2.99Å
176S96.3Very high91Very high58 Ų5890.4 Ų90.441%0.40651%0.506SS..  trans-152.3150.1-177.963.80000113.3
177V97.4Very high90.6Very high92 Ų9292.7 Ų92.756%0.55852%0.521SS*.  trans-116.7114165.3178.30000106.8M5 I179M5-V177 HydrophobicContact CE-CG2 3.93Å; M5-V177 HydrophobicContact SD-CG2 4.49Å; V177-I179 HydrophobicContact CG1-CG1 4.45Å
178L97.5Very high90.2Very high109 Ų10989.8 Ų89.857%0.57152%0.515SS*.  trans-89.4133.7-175.4-60.2174.4000110.6V123 L125V123-L178 HydrophobicContact CG1-CD1 3.85Å; L125-L178 HydrophobicContact CD2-CD1 3.71Å; L125-L178 HydrophobicContact CD2-CD2 4.26Å
179I97.6Very high89.9Confident69 Ų6988.7 Ų88.735%0.35451%0.507SS..  trans-131.5126.2-174.4-60.6164.5000108.6L9 L12 L14 V177L9-I179 HydrophobicContact CD2-CD1 3.55Å; L12-I179 HydrophobicContact CD1-CD1 3.35Å; L14-I179 HydrophobicContact CD1-CD1 4.03Å; L14-I179 HydrophobicContact CD1-CG1 4.28Å; L14-I179 HydrophobicContact CD1-CG2 4.01Å; L14-I179 HydrophobicContact CD2-CG2 4.2Å; V177-I179 HydrophobicContact CG1-CG1 4.45Å
180N94.5Very high89.5Confident147 Ų14787.9 Ų87.979%0.78651%0.505SS*.  trans-99.487.9170.6-174.314.4000109.6
181K90.1Very high89.1Confident92 Ų9292.9 Ų92.940%0.453%0.53SS..  trans-84114.3173.7-176.1168.8-178.5162.10108.9L12 V183L12-K181 PolarHBondContact O-NZ 2.86Å; K181-V183 PolarHBondContact O-N 2.7Å
182K83.6Confident88.4Confident174 Ų17499.1 Ų99.176%0.75757%0.565SS**PPolyproline II helixtrans-65.8127.4166.1-67.7-175.5179.9179.30107.6D184K182-D184 PolarHBondContact O-N 3.42Å
183V76.6Confident87.7Confident133 Ų133106.1 Ų106.181%0.80661%0.605SS**PPolyproline II helixtrans-75.3121.8168-176.80000105.6K181 S185K181-V183 PolarHBondContact O-N 2.7Å; V183-S185 PolarHBondContact O-N 2.67Å; V183-S185 VanDerWaalsContact O-N 3.1Å
184D67.1Low86.8Confident146 Ų146112.6 Ų112.678%0.78164%0.642SS**PPolyproline II helixtrans-57.1118.1171.7-64.1-38.5000107.9K182K182-D184 PolarHBondContact O-N 3.42Å
185S49.2Very low86Confident188 Ų188116.5 Ų116.5100%1.31566%0.657SS**  trans-79.90174.156.40000111.1V183V183-S185 PolarHBondContact O-N 2.67Å; V183-S185 VanDerWaalsContact O-N 3.1Å

Retrieved 185 of 185 residues in 559.2 ms (Link to these results)

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