A0A077ZAQ3_TRITR Loading...

Tight junction-associated protein 1

AlphaFold DB , UniProt , Accession A0A077ZAQ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M68.3Low88.1Confident214 Ų214124.7 Ų124.7100%1.05462%0.617SS**  0-47.40-62-174.987.100112.6K3 T4 A5M1-K3 PolarHBondContact O-N 2.98Å; M1-T4 WeakPolarHBondContact O-CB 3.46Å; M1-T4 PolarHBondContact O-N 3.17Å; M1-A5 PolarHBondContact O-N 2.97Å
2K81.5Confident88.7Confident163 Ų163122.9 Ų122.971%0.70961%0.611SS**Hα-helixtrans-51.6-49.2-179.3-165.2177.8-180-174.70115.2T4 A5 E6K2-T4 PolarHBondContact O-N 2.89Å; K2-A5 PolarHBondContact O-N 3.25Å; K2-A5 VanDerWaalsContact O-N 3.12Å; K2-E6 WeakPolarHBondContact CE-OE1 3.35Å; K2-E6 PolarHBondContact O-N 3.03Å; K2-E6 VanDerWaalsContact O-N 3.11Å
3K86.1Confident89.2Confident178 Ų178121.2 Ų121.277%0.77461%0.606SS**Hα-helixtrans-58.4-31177.5-68.6-172.1176.2-175.30114.3M1 K7M1-K3 PolarHBondContact O-N 2.98Å; K3-K7 WeakPolarHBondContact O-CB 3.42Å; K3-K7 PolarHBondContact O-N 3.48Å
4T89.1Confident89.7Confident90 Ų90118.4 Ų118.455%0.55260%0.598SS**Hα-helixtrans-74.7-39179.2-49.40000110.7M1 K2 K7 I8M1-T4 WeakPolarHBondContact O-CB 3.46Å; M1-T4 PolarHBondContact O-N 3.17Å; K2-T4 PolarHBondContact O-N 2.89Å; T4-K7 PolarHBondContact O-N 2.97Å; T4-I8 HydrophobicContact CG2-CD1 4.14Å; T4-I8 VanDerWaalsContact O-CG1 3.29Å; T4-I8 WeakPolarHBondContact O-CG1 3.46Å; T4-I8 PolarHBondContact O-N 3.1Å; T4-I8 VanDerWaalsContact O-N 3.09Å
5A89.8Confident90.2Very high59 Ų59118.3 Ų118.349%0.48859%0.594SS.*Hα-helixtrans-64.6-47.8176.300000111.6M1 K2 K7 I8 E9M1-A5 PolarHBondContact O-N 2.97Å; K2-A5 PolarHBondContact O-N 3.25Å; K2-A5 VanDerWaalsContact O-N 3.12Å; A5-K7 VanDerWaalsContact C-N 3.29Å; A5-K7 PolarHBondContact O-N 3.32Å; A5-I8 PolarHBondContact O-N 3.12Å; A5-I8 VanDerWaalsContact O-N 3.11Å; A5-E9 PolarHBondContact O-N 3.41Å
6E90.7Very high90.5Very high88 Ų88114.8 Ų114.841%0.41159%0.59SS.*Hα-helixtrans-57.9-40.5176.4-69.6166.8179.100111.8K2 E9 M10K2-E6 WeakPolarHBondContact CE-OE1 3.35Å; K2-E6 PolarHBondContact O-N 3.03Å; K2-E6 VanDerWaalsContact O-N 3.11Å; E6-E9 PolarHBondContact O-N 3.07Å; E6-M10 WeakPolarHBondContact O-CG 3.4Å; E6-M10 PolarHBondContact O-N 3.44Å
7K91.4Very high90.9Very high136 Ų136114.3 Ų114.359%0.59158%0.584SS**Hα-helixtrans-66.5-37.8176.8-173.5177179.6-1790112.7K3 T4 A5 L11K3-K7 WeakPolarHBondContact O-CB 3.42Å; K3-K7 PolarHBondContact O-N 3.48Å; T4-K7 PolarHBondContact O-N 2.97Å; A5-K7 VanDerWaalsContact C-N 3.29Å; A5-K7 PolarHBondContact O-N 3.32Å; K7-L11 HydrophobicContact CG-CD1 4.25Å; K7-L11 WeakPolarHBondContact O-CB 3.46Å; K7-L11 WeakPolarHBondContact O-CD1 3.42Å; K7-L11 VanDerWaalsContact O-CG 3.3Å; K7-L11 WeakPolarHBondContact O-CG 3.44Å; K7-L11 PolarHBondContact O-N 3.46Å; K7-L11 VanDerWaalsContact O-N 3.08Å
8I92.4Very high91.3Very high93 Ų93112.4 Ų112.448%0.47758%0.579SS.*Hα-helixtrans-68.4-42.7177.8-70.3165.1000110.2T4 A5 L11 N12T4-I8 HydrophobicContact CG2-CD1 4.14Å; T4-I8 VanDerWaalsContact O-CG1 3.29Å; T4-I8 WeakPolarHBondContact O-CG1 3.46Å; T4-I8 PolarHBondContact O-N 3.1Å; T4-I8 VanDerWaalsContact O-N 3.09Å; A5-I8 PolarHBondContact O-N 3.12Å; A5-I8 VanDerWaalsContact O-N 3.11Å; I8-L11 PolarHBondContact O-N 3.4Å; I8-N12 VanDerWaalsContact O-CG 3.28Å; I8-N12 PolarHBondContact O-N 3.4Å; I8-N12 PolarHBondContact O-ND2 3.13Å
9E92.8Very high91.6Very high123 Ų123110 Ų11058%0.57557%0.57SS**Hα-helixtrans-60.1-50.4176.1-172.1172.5-166.300111.3A5 E6 L11 N12 D13A5-E9 PolarHBondContact O-N 3.41Å; E6-E9 PolarHBondContact O-N 3.07Å; E9-L11 VanDerWaalsContact C-N 3.3Å; E9-L11 PolarHBondContact O-N 3.02Å; E9-N12 WeakPolarHBondContact O-CB 3.47Å; E9-N12 PolarHBondContact O-N 2.9Å; E9-N12 VanDerWaalsContact O-N 3.07Å; E9-D13 PolarHBondContact O-N 3.11Å
10M93.3Very high91.9Very high125 Ų125108.3 Ų108.362%0.61656%0.561SS**Hα-helixtrans-56.7-40.2174.4-78173.236.400113.3E6 N12 D13 V14E6-M10 WeakPolarHBondContact O-CG 3.4Å; E6-M10 PolarHBondContact O-N 3.44Å; M10-N12 VanDerWaalsContact C-N 3.35Å; M10-D13 PolarHBondContact O-N 2.84Å; M10-V14 WeakPolarHBondContact O-CB 3.31Å; M10-V14 VanDerWaalsContact O-CG2 3.26Å; M10-V14 WeakPolarHBondContact O-CG2 3.48Å; M10-V14 PolarHBondContact O-N 3.31Å
11L93.9Very high92.2Very high103 Ų103110 Ų11054%0.53956%0.56SS.*Hα-helixtrans-66.8-37.8177.8-79166.4000111.8K7 I8 E9 Q15K7-L11 HydrophobicContact CG-CD1 4.25Å; K7-L11 WeakPolarHBondContact O-CB 3.46Å; K7-L11 WeakPolarHBondContact O-CD1 3.42Å; K7-L11 VanDerWaalsContact O-CG 3.3Å; K7-L11 WeakPolarHBondContact O-CG 3.44Å; K7-L11 PolarHBondContact O-N 3.46Å; K7-L11 VanDerWaalsContact O-N 3.08Å; I8-L11 PolarHBondContact O-N 3.4Å; E9-L11 VanDerWaalsContact C-N 3.3Å; E9-L11 PolarHBondContact O-N 3.02Å; L11-Q15 VanDerWaalsContact O-CB 3.31Å; L11-Q15 WeakPolarHBondContact O-CB 3.41Å; L11-Q15 PolarHBondContact O-N 3Å
12N94.9Very high93.7Very high103 Ų103106.1 Ų106.155%0.55154%0.537SS*.Hα-helixtrans-66.8-41.5175.7-69.5-22000111.4I8 E9 M10 Q15 A16I8-N12 VanDerWaalsContact O-CG 3.28Å; I8-N12 PolarHBondContact O-N 3.4Å; I8-N12 PolarHBondContact O-ND2 3.13Å; E9-N12 WeakPolarHBondContact O-CB 3.47Å; E9-N12 PolarHBondContact O-N 2.9Å; E9-N12 VanDerWaalsContact O-N 3.07Å; M10-N12 VanDerWaalsContact C-N 3.35Å; N12-Q15 PolarHBondContact O-N 3.11Å; N12-A16 WeakPolarHBondContact O-CB 3.45Å; N12-A16 PolarHBondContact O-N 3.45Å
13D95.6Very high94.4Very high101 Ų101102.8 Ų102.854%0.5452%0.524SS..Hα-helixtrans-63.7-45.9176.9-71-15.3000111.5E9 M10 Q15 A16 E17E9-D13 PolarHBondContact O-N 3.11Å; M10-D13 PolarHBondContact O-N 2.84Å; D13-Q15 VanDerWaalsContact C-N 3.32Å; D13-Q15 PolarHBondContact O-N 3.3Å; D13-A16 PolarHBondContact O-N 3.05Å; D13-E17 PolarHBondContact O-N 2.98Å
14V96.3Very high95Very high81 Ų8198.5 Ų98.549%0.49151%0.506SS..Hα-helixtrans-61.3-41.9175171.10000110.8M10 A16 E17 V18M10-V14 WeakPolarHBondContact O-CB 3.31Å; M10-V14 VanDerWaalsContact O-CG2 3.26Å; M10-V14 WeakPolarHBondContact O-CG2 3.48Å; M10-V14 PolarHBondContact O-N 3.31Å; V14-A16 PolarHBondContact O-N 3.35Å; V14-E17 PolarHBondContact O-N 3.43Å; V14-V18 HydrophobicContact CG1-CG2 4.4Å; V14-V18 VanDerWaalsContact O-CG2 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.47Å; V14-V18 PolarHBondContact O-N 3.19Å
15Q96.4Very high95.5Very high117 Ų117101.6 Ų101.655%0.54751%0.508SS..Hα-helixtrans-64.2-41177.6-174.961.138.800111.7L11 N12 D13 E17 V18 V19L11-Q15 VanDerWaalsContact O-CB 3.31Å; L11-Q15 WeakPolarHBondContact O-CB 3.41Å; L11-Q15 PolarHBondContact O-N 3Å; N12-Q15 PolarHBondContact O-N 3.11Å; D13-Q15 VanDerWaalsContact C-N 3.32Å; D13-Q15 PolarHBondContact O-N 3.3Å; Q15-E17 VanDerWaalsContact C-N 3.34Å; Q15-V18 PolarHBondContact O-N 3.05Å; Q15-V19 WeakPolarHBondContact O-CG2 3.41Å; Q15-V19 PolarHBondContact O-N 3.43Å
16A96Very high95.9Very high63 Ų63103.7 Ų103.752%0.52151%0.508SS..Hα-helixtrans-63.6-40.8174.800000111.5N12 D13 V14 V19 L20N12-A16 WeakPolarHBondContact O-CB 3.45Å; N12-A16 PolarHBondContact O-N 3.45Å; D13-A16 PolarHBondContact O-N 3.05Å; V14-A16 PolarHBondContact O-N 3.35Å; A16-V19 PolarHBondContact O-N 3.24Å; A16-L20 WeakPolarHBondContact O-CB 3.36Å; A16-L20 PolarHBondContact O-N 3.15Å
17E97.2Very high96.2Very high106 Ų106106.3 Ų106.350%0.49551%0.514SS..Hα-helixtrans-64.3-43.3176.4-153.9-164157.200111.9D13 V14 Q15 V19 L20 W21D13-E17 PolarHBondContact O-N 2.98Å; V14-E17 PolarHBondContact O-N 3.43Å; Q15-E17 VanDerWaalsContact C-N 3.34Å; E17-V19 VanDerWaalsContact C-N 3.35Å; E17-V19 PolarHBondContact O-N 3.07Å; E17-L20 WeakPolarHBondContact O-CB 3.46Å; E17-L20 PolarHBondContact O-N 2.93Å; E17-W21 PolarHBondContact O-N 3.43Å; E17-W21 PolarHBondContact OE1-NE1 2.92Å
18V97.8Very high96.5Very high81 Ų81105.4 Ų105.449%0.49152%0.515SS..Hα-helixtrans-60.8-43.5176.3168.60000111.2V14 Q15 W21 K22V14-V18 HydrophobicContact CG1-CG2 4.4Å; V14-V18 VanDerWaalsContact O-CG2 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.47Å; V14-V18 PolarHBondContact O-N 3.19Å; Q15-V18 PolarHBondContact O-N 3.05Å; V18-W21 PolarHBondContact O-N 3.33Å; V18-K22 WeakPolarHBondContact O-CB 3.44Å; V18-K22 PolarHBondContact O-N 3.43Å
19V97.7Very high96.8Very high66 Ų66105 Ų10540%0.451%0.513SS..Hα-helixtrans-61.7-46.3175.9171.60000110.6Q15 A16 E17 W21 K22 E23Q15-V19 WeakPolarHBondContact O-CG2 3.41Å; Q15-V19 PolarHBondContact O-N 3.43Å; A16-V19 PolarHBondContact O-N 3.24Å; E17-V19 VanDerWaalsContact C-N 3.35Å; E17-V19 PolarHBondContact O-N 3.07Å; V19-W21 PolarHBondContact O-N 2.94Å; V19-K22 WeakPolarHBondContact O-CB 3.48Å; V19-K22 PolarHBondContact O-N 3.21Å; V19-E23 WeakPolarHBondContact O-CG 3.43Å; V19-E23 PolarHBondContact O-N 3.23Å
20L97.7Very high97.1Very high75 Ų75104.8 Ų104.839%0.39351%0.512SS..Hα-helixtrans-60.2-44.6177.7179.467.8000112.3A16 E17 K22 E23 K24A16-L20 WeakPolarHBondContact O-CB 3.36Å; A16-L20 PolarHBondContact O-N 3.15Å; E17-L20 WeakPolarHBondContact O-CB 3.46Å; E17-L20 PolarHBondContact O-N 2.93Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-E23 PolarHBondContact O-N 2.9Å; L20-K24 WeakPolarHBondContact O-CG 3.49Å; L20-K24 PolarHBondContact O-N 2.93Å
21W98.2Very high97.3Very high146 Ų146102.6 Ų102.655%0.55351%0.506SS*.Hα-helixtrans-66.1-36.9177.7-81.2116.2000112.3E17 V18 V19 K24 Y25E17-W21 PolarHBondContact O-N 3.43Å; E17-W21 PolarHBondContact OE1-NE1 2.92Å; V18-W21 PolarHBondContact O-N 3.33Å; V19-W21 PolarHBondContact O-N 2.94Å; W21-K24 HydrophobicContact CE3-CB 4.47Å; W21-K24 HydrophobicContact CE3-CD 3.93Å; W21-K24 HydrophobicContact CZ3-CD 4.07Å; W21-K24 PolarHBondContact O-N 3.47Å; W21-Y25 WeakPolarHBondContact O-CB 3.26Å; W21-Y25 PolarHBondContact O-N 3.16Å
22K98.3Very high97.5Very high132 Ų132103.9 Ų103.957%0.57451%0.508SS*.Hα-helixtrans-60.7-48.2174.2-171.2-176.4177.2-163.50111.2V18 V19 L20 K24 Y25 E26V18-K22 WeakPolarHBondContact O-CB 3.44Å; V18-K22 PolarHBondContact O-N 3.43Å; V19-K22 WeakPolarHBondContact O-CB 3.48Å; V19-K22 PolarHBondContact O-N 3.21Å; L20-K22 VanDerWaalsContact C-N 3.33Å; K22-K24 VanDerWaalsContact C-N 3.34Å; K22-K24 PolarHBondContact O-N 3.22Å; K22-Y25 PolarHBondContact O-N 3Å; K22-E26 WeakPolarHBondContact CE-OE1 3.41Å; K22-E26 IonicContact NZ-OE1 3.93Å; K22-E26 WeakPolarHBondContact O-CG 3.45Å; K22-E26 PolarHBondContact O-N 3.47Å
23E98Very high97.7Very high93 Ų93101.7 Ų101.744%0.43550%0.498SS..Hα-helixtrans-62.9-38.2176.6-70176.6-178.400112.8V19 L20 R27V19-E23 WeakPolarHBondContact O-CG 3.43Å; V19-E23 PolarHBondContact O-N 3.23Å; L20-E23 PolarHBondContact O-N 2.9Å; E23-R27 WeakPolarHBondContact O-CG 3.32Å; E23-R27 PolarHBondContact O-N 3.47Å; E23-R27 VanDerWaalsContact O-N 3.08Å; E23-R27 PolarHBondContact O-NE 3.28Å
24K98.3Very high97.8Very high88 Ų88100.3 Ų100.338%0.38349%0.49SS..Hα-helixtrans-63.3-44.2174.1-75.7176.5179.9176.90111.4L20 W21 K22 R27 L28L20-K24 WeakPolarHBondContact O-CG 3.49Å; L20-K24 PolarHBondContact O-N 2.93Å; W21-K24 HydrophobicContact CE3-CB 4.47Å; W21-K24 HydrophobicContact CE3-CD 3.93Å; W21-K24 HydrophobicContact CZ3-CD 4.07Å; W21-K24 PolarHBondContact O-N 3.47Å; K22-K24 VanDerWaalsContact C-N 3.34Å; K22-K24 PolarHBondContact O-N 3.22Å; K24-R27 PolarHBondContact O-N 3.07Å; K24-L28 WeakPolarHBondContact O-CB 3.43Å; K24-L28 PolarHBondContact O-N 3.09Å
25Y98.3Very high97.9Very high154 Ų15499.6 Ų99.660%0.60449%0.486SS*.Hα-helixtrans-65.6-42.8178.4-176.8-95.8000111.8W21 K22 R27 L28 L29W21-Y25 WeakPolarHBondContact O-CB 3.26Å; W21-Y25 PolarHBondContact O-N 3.16Å; K22-Y25 PolarHBondContact O-N 3Å; Y25-R27 PolarHBondContact O-N 3.42Å; Y25-L28 PolarHBondContact O-N 2.9Å; Y25-L29 HydrophobicContact CE1-CD2 4.35Å; Y25-L29 WeakPolarHBondContact O-CB 3.22Å; Y25-L29 PolarHBondContact O-N 2.94Å
26E98.4Very high98Very high103 Ų10398.7 Ų98.748%0.48148%0.484SS..Hα-helixtrans-60.4-43.1176.1-75.5175.3179.700111.8K22 L29 H30K22-E26 WeakPolarHBondContact CE-OE1 3.41Å; K22-E26 IonicContact NZ-OE1 3.93Å; K22-E26 WeakPolarHBondContact O-CG 3.45Å; K22-E26 PolarHBondContact O-N 3.47Å; E26-L29 PolarHBondContact O-N 3.33Å; E26-H30 WeakPolarHBondContact O-CB 3.45Å; E26-H30 PolarHBondContact O-N 3Å
27R97.8Very high98.1Very high144 Ų144100.1 Ų100.154%0.54348%0.48SS..Hα-helixtrans-62.4-44.5173.5-77.2-176.4-70.7-152-5.9112.5E23 K24 Y25 H30 T31E23-R27 WeakPolarHBondContact O-CG 3.32Å; E23-R27 PolarHBondContact O-N 3.47Å; E23-R27 VanDerWaalsContact O-N 3.08Å; E23-R27 PolarHBondContact O-NE 3.28Å; K24-R27 PolarHBondContact O-N 3.07Å; Y25-R27 PolarHBondContact O-N 3.42Å; R27-H30 PolarHBondContact O-N 3.5Å; R27-T31 PolarHBondContact O-N 2.95Å; R27-T31 PolarHBondContact O-OG1 3.16Å; R27-T31 VanDerWaalsContact O-OG1 3.11Å
28L98.3Very high98.1Very high116 Ų11699.1 Ų99.161%0.60748%0.478SS*.Hα-helixtrans-62.4-44.1178.6-178.360000111.5K24 Y25 T31 F32K24-L28 WeakPolarHBondContact O-CB 3.43Å; K24-L28 PolarHBondContact O-N 3.09Å; Y25-L28 PolarHBondContact O-N 2.9Å; L28-T31 PolarHBondContact O-N 2.91Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 2.93Å
29L98.2Very high98.2Very high84 Ų8499 Ų9944%0.4448%0.475SS..Hα-helixtrans-63-41.7177.5-17962.3000111.7Y25 E26 F32 T33Y25-L29 HydrophobicContact CE1-CD2 4.35Å; Y25-L29 WeakPolarHBondContact O-CB 3.22Å; Y25-L29 PolarHBondContact O-N 2.94Å; E26-L29 PolarHBondContact O-N 3.33Å; L29-F32 PolarHBondContact O-N 3.29Å; L29-T33 WeakPolarHBondContact O-CB 3.4Å; L29-T33 PolarHBondContact O-N 3.26Å; L29-T33 PolarHBondContact O-OG1 3.4Å
30H97.9Very high98.2Very high120 Ų120101.2 Ų101.256%0.55648%0.481SS*.Hα-helixtrans-61.7-48.6175.5-177.261.8000111.7E26 R27 F32 T33 L34E26-H30 WeakPolarHBondContact O-CB 3.45Å; E26-H30 PolarHBondContact O-N 3Å; R27-H30 PolarHBondContact O-N 3.5Å; H30-F32 VanDerWaalsContact C-N 3.35Å; H30-F32 PolarHBondContact O-N 3.2Å; H30-T33 PolarHBondContact O-N 3.28Å; H30-L34 PolarHBondContact O-N 3.41Å
31T98.2Very high98.2Very high79 Ų79103.3 Ų103.349%0.48549%0.487SS..Hα-helixtrans-59.2-45.5176-58.70000111.6R27 L28 T33 L34 T35R27-T31 PolarHBondContact O-N 2.95Å; R27-T31 PolarHBondContact O-OG1 3.16Å; R27-T31 VanDerWaalsContact O-OG1 3.11Å; L28-T31 PolarHBondContact O-N 2.91Å; T31-T33 VanDerWaalsContact C-N 3.31Å; T31-T33 PolarHBondContact O-N 2.87Å; T31-L34 PolarHBondContact O-N 3.47Å; T31-T35 PolarHBondContact O-N 3.1Å; T31-T35 PolarHBondContact O-OG1 2.95Å; T31-T35 VanDerWaalsContact O-OG1 3.08Å
32F98.2Very high98.3Very high130 Ų130101.4 Ų101.457%0.5749%0.487SS*.Hα-helixtrans-58.9-42.6177.3176.4-98.2000112.1L28 L29 H30 T35 L36L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 2.93Å; L29-F32 PolarHBondContact O-N 3.29Å; H30-F32 VanDerWaalsContact C-N 3.35Å; H30-F32 PolarHBondContact O-N 3.2Å; F32-T35 PolarHBondContact O-N 3.38Å; F32-L36 WeakPolarHBondContact O-CB 3.36Å; F32-L36 PolarHBondContact O-N 2.98Å
33T98.3Very high98.3Very high56 Ų56101 Ų10134%0.34449%0.487SS..Hα-helixtrans-62.4-46.6177.9-54.30000111.1L29 H30 T31 T35 L36 E37L29-T33 WeakPolarHBondContact O-CB 3.4Å; L29-T33 PolarHBondContact O-N 3.26Å; L29-T33 PolarHBondContact O-OG1 3.4Å; H30-T33 PolarHBondContact O-N 3.28Å; T31-T33 VanDerWaalsContact C-N 3.31Å; T31-T33 PolarHBondContact O-N 2.87Å; T33-T35 VanDerWaalsContact C-N 3.35Å; T33-T35 PolarHBondContact O-N 3.01Å; T33-L36 PolarHBondContact O-N 3.03Å; T33-E37 WeakPolarHBondContact O-CG 3.46Å; T33-E37 PolarHBondContact O-N 3.38Å
34L98.1Very high98.3Very high73 Ų73101 Ų10138%0.38249%0.49SS..Hα-helixtrans-61.9-41176-70.2176.9000112.3H30 T31 L36 E37 N38H30-L34 PolarHBondContact O-N 3.41Å; T31-L34 PolarHBondContact O-N 3.47Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-E37 PolarHBondContact O-N 3.41Å; L34-N38 WeakPolarHBondContact O-CB 3.47Å; L34-N38 VanDerWaalsContact O-CG 3.25Å; L34-N38 PolarHBondContact O-N 3.04Å; L34-N38 PolarHBondContact O-ND2 2.87Å
35T98.2Very high98.3Very high66 Ų6699.9 Ų99.941%0.40549%0.494SS..Hα-helixtrans-62.5-43175.8-60.50000111.3T31 F32 T33 N38 N39T31-T35 PolarHBondContact O-N 3.1Å; T31-T35 PolarHBondContact O-OG1 2.95Å; T31-T35 VanDerWaalsContact O-OG1 3.08Å; F32-T35 PolarHBondContact O-N 3.38Å; T33-T35 VanDerWaalsContact C-N 3.35Å; T33-T35 PolarHBondContact O-N 3.01Å; T35-N38 PolarHBondContact O-N 3.37Å; T35-N39 WeakPolarHBondContact O-CB 3.4Å; T35-N39 VanDerWaalsContact O-CG 3.26Å; T35-N39 PolarHBondContact O-N 2.95Å
36L98.2Very high98.3Very high97 Ų9796.4 Ų96.451%0.50849%0.488SS..Hα-helixtrans-62.3-46.1177.7-174.665.5000111.6F32 T33 L34 N38 N39 Q40F32-L36 WeakPolarHBondContact O-CB 3.36Å; F32-L36 PolarHBondContact O-N 2.98Å; T33-L36 PolarHBondContact O-N 3.03Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.35Å; L36-N39 PolarHBondContact O-N 2.9Å; L36-Q40 PolarHBondContact O-N 3.16Å
37E98.5Very high98.3Very high94 Ų9496.3 Ų96.344%0.43949%0.49SS..Hα-helixtrans-61.6-41176.5-72.2177.6-175.600112.6T33 L34 Q40 K41T33-E37 WeakPolarHBondContact O-CG 3.46Å; T33-E37 PolarHBondContact O-N 3.38Å; L34-E37 PolarHBondContact O-N 3.41Å; E37-Q40 PolarHBondContact O-N 3.45Å; E37-K41 WeakPolarHBondContact O-CG 3.28Å; E37-K41 PolarHBondContact O-N 3.48Å
38N98.4Very high98.4Very high84 Ų8496.8 Ų96.845%0.44950%0.496SS..Hα-helixtrans-67.4-41.3177.4-73.3-20.4000111.8L34 T35 L36 Q40 K41 L42L34-N38 WeakPolarHBondContact O-CB 3.47Å; L34-N38 VanDerWaalsContact O-CG 3.25Å; L34-N38 PolarHBondContact O-N 3.04Å; L34-N38 PolarHBondContact O-ND2 2.87Å; T35-N38 PolarHBondContact O-N 3.37Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.35Å; N38-Q40 VanDerWaalsContact C-N 3.32Å; N38-Q40 PolarHBondContact O-N 3.16Å; N38-K41 PolarHBondContact O-N 2.66Å; N38-L42 WeakPolarHBondContact O-CG 3.38Å; N38-L42 PolarHBondContact O-N 2.95Å
39N98.3Very high98.4Very high79 Ų7997.1 Ų97.142%0.42250%0.498SS..Hα-helixtrans-62-42.2175.4-73.7-8.4000111.2T35 L36 K41 L42 E43T35-N39 WeakPolarHBondContact O-CB 3.4Å; T35-N39 VanDerWaalsContact O-CG 3.26Å; T35-N39 PolarHBondContact O-N 2.95Å; L36-N39 PolarHBondContact O-N 2.9Å; N39-K41 PolarHBondContact O-N 3.29Å; N39-L42 WeakPolarHBondContact O-CB 3.45Å; N39-L42 PolarHBondContact O-N 3.24Å; N39-L42 VanDerWaalsContact O-N 3.16Å; N39-E43 WeakPolarHBondContact O-CG 3.21Å; N39-E43 PolarHBondContact O-N 3.36Å
40Q98.6Very high98.4Very high113 Ų11396.9 Ų96.953%0.52850%0.496SS..Hα-helixtrans-64.1-41.2177.1-172.9149.211.800112.3L36 E37 N38 L42 E43 D44L36-Q40 PolarHBondContact O-N 3.16Å; E37-Q40 PolarHBondContact O-N 3.45Å; N38-Q40 VanDerWaalsContact C-N 3.32Å; N38-Q40 PolarHBondContact O-N 3.16Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 2.94Å; Q40-E43 PolarHBondContact O-N 2.92Å; Q40-D44 PolarHBondContact O-N 3.01Å
41K98.5Very high98.4Very high119 Ų11996 Ų9652%0.51750%0.496SS..Hα-helixtrans-62.1-36.5173-71.6169.9-173.7164.90112.7E37 N38 N39 S45E37-K41 WeakPolarHBondContact O-CG 3.28Å; E37-K41 PolarHBondContact O-N 3.48Å; N38-K41 PolarHBondContact O-N 2.66Å; N39-K41 PolarHBondContact O-N 3.29Å; K41-S45 WeakPolarHBondContact O-CB 3.31Å; K41-S45 PolarHBondContact O-N 3.42Å; K41-S45 PolarHBondContact O-OG 2.95Å
42L98.5Very high98.4Very high105 Ų10596.4 Ų96.455%0.5549%0.492SS..Hα-helixtrans-68.3-43.4176-74.3170000111.1N38 N39 Q40 S45 V46N38-L42 WeakPolarHBondContact O-CG 3.38Å; N38-L42 PolarHBondContact O-N 2.95Å; N39-L42 WeakPolarHBondContact O-CB 3.45Å; N39-L42 PolarHBondContact O-N 3.24Å; N39-L42 VanDerWaalsContact O-N 3.16Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 2.94Å; L42-S45 PolarHBondContact O-N 2.86Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.44Å; L42-V46 PolarHBondContact O-N 3.3Å
43E98.5Very high98.4Very high124 Ų12493.7 Ų93.758%0.57949%0.49SS*.Hα-helixtrans-57.6-49.7174.3-74173.4-16900111.1N39 Q40 S45 V46 L47N39-E43 WeakPolarHBondContact O-CG 3.21Å; N39-E43 PolarHBondContact O-N 3.36Å; Q40-E43 PolarHBondContact O-N 2.92Å; E43-S45 VanDerWaalsContact C-N 3.3Å; E43-S45 PolarHBondContact O-N 2.88Å; E43-V46 PolarHBondContact O-N 3.04Å; E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.23Å
44D98.6Very high98.4Very high92 Ų9296.9 Ų96.949%0.49250%0.501SS..Hα-helixtrans-60-39.7176.8-69.3-22.3000112.1Q40 K48Q40-D44 PolarHBondContact O-N 3.01Å; D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 PolarHBondContact O-N 3.47Å
45S98.6Very high98.5Very high66 Ų6699.5 Ų99.546%0.46251%0.511SS..Hα-helixtrans-67.6-40.5178.4-610000112.1K41 L42 E43 K48 L49K41-S45 WeakPolarHBondContact O-CB 3.31Å; K41-S45 PolarHBondContact O-N 3.42Å; K41-S45 PolarHBondContact O-OG 2.95Å; L42-S45 PolarHBondContact O-N 2.86Å; E43-S45 VanDerWaalsContact C-N 3.3Å; E43-S45 PolarHBondContact O-N 2.88Å; S45-K48 PolarHBondContact O-N 2.79Å; S45-L49 WeakPolarHBondContact O-CG 3.35Å; S45-L49 PolarHBondContact O-N 3.37Å
46V98.7Very high98.5Very high81 Ų81100 Ų10049%0.49151%0.511SS..Hα-helixtrans-66.2-44.5176.8169.20000110.4L42 E43 K48 L49 I50L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.44Å; L42-V46 PolarHBondContact O-N 3.3Å; E43-V46 PolarHBondContact O-N 3.04Å; V46-K48 VanDerWaalsContact C-N 3.31Å; V46-K48 PolarHBondContact O-N 3.19Å; V46-L49 PolarHBondContact O-N 2.8Å; V46-L49 VanDerWaalsContact O-N 3.16Å; V46-I50 HydrophobicContact CG1-CD1 3.91Å; V46-I50 HydrophobicContact CG1-CG1 4.49Å; V46-I50 WeakPolarHBondContact O-CG1 3.35Å; V46-I50 PolarHBondContact O-N 2.98Å
47L98.5Very high98.5Very high100 Ų100102 Ų10252%0.52452%0.515SS..Hα-helixtrans-58.3-45175.9-72.7172.3000111.4E43 L49 I50 D51E43-L47 WeakPolarHBondContact O-CG 3.45Å; E43-L47 PolarHBondContact O-N 3.23Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 2.73Å; L47-I50 WeakPolarHBondContact O-CB 3.36Å; L47-I50 PolarHBondContact O-N 3.11Å; L47-I50 VanDerWaalsContact O-N 3.16Å; L47-D51 PolarHBondContact O-N 3.06Å
48K98.4Very high98.4Very high154 Ų154100 Ų10067%0.6752%0.515SS*.Hα-helixtrans-61.3-38.7176.1-173.3179178.9-177.40113.1D44 S45 V46 I50 Q52D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 PolarHBondContact O-N 3.47Å; S45-K48 PolarHBondContact O-N 2.79Å; V46-K48 VanDerWaalsContact C-N 3.31Å; V46-K48 PolarHBondContact O-N 3.19Å; K48-I50 VanDerWaalsContact C-N 3.35Å; K48-Q52 WeakPolarHBondContact O-CB 3.41Å; K48-Q52 PolarHBondContact O-N 3.45Å
49L98.5Very high98.4Very high123 Ų12399.3 Ų99.364%0.64452%0.517SS*.Hα-helixtrans-68.2-35.7176.3-74.6172.1000112S45 V46 L47 S53S45-L49 WeakPolarHBondContact O-CG 3.35Å; S45-L49 PolarHBondContact O-N 3.37Å; V46-L49 PolarHBondContact O-N 2.8Å; V46-L49 VanDerWaalsContact O-N 3.16Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 2.73Å; L49-S53 VanDerWaalsContact O-CB 3.28Å; L49-S53 WeakPolarHBondContact O-CB 3.38Å; L49-S53 PolarHBondContact O-N 2.8Å
50I98.5Very high98.4Very high79 Ų79100.9 Ų100.941%0.40552%0.523SS..Hα-helixtrans-63.6-51174.1-69.1165.8000109.6V46 L47 K48 Q52 S53 E54V46-I50 HydrophobicContact CG1-CD1 3.91Å; V46-I50 HydrophobicContact CG1-CG1 4.49Å; V46-I50 WeakPolarHBondContact O-CG1 3.35Å; V46-I50 PolarHBondContact O-N 2.98Å; L47-I50 WeakPolarHBondContact O-CB 3.36Å; L47-I50 PolarHBondContact O-N 3.11Å; L47-I50 VanDerWaalsContact O-N 3.16Å; K48-I50 VanDerWaalsContact C-N 3.35Å; I50-Q52 VanDerWaalsContact C-N 3.32Å; I50-Q52 PolarHBondContact O-N 2.99Å; I50-S53 PolarHBondContact O-N 3.48Å; I50-S53 VanDerWaalsContact O-N 3.1Å; I50-E54 HydrophobicContact CG2-CG 4.44Å; I50-E54 WeakPolarHBondContact O-CG 3.16Å; I50-E54 PolarHBondContact O-N 3.48Å
51D98.4Very high98.4Very high103 Ų10399 Ų9955%0.55152%0.519SS*.Hα-helixtrans-57.6-45.2179.3-67.7-19.3000111.5L47 E54 E55L47-D51 PolarHBondContact O-N 3.06Å; D51-E54 PolarHBondContact O-N 3.27Å; D51-E55 PolarHBondContact O-N 2.73Å
52Q98.5Very high98.4Very high86 Ų8698.4 Ų98.440%0.40252%0.522SS..Hα-helixtrans-62.8-44176.1-1736459.900111.8K48 I50 E54 E55 D56K48-Q52 WeakPolarHBondContact O-CB 3.41Å; K48-Q52 PolarHBondContact O-N 3.45Å; I50-Q52 VanDerWaalsContact C-N 3.32Å; I50-Q52 PolarHBondContact O-N 2.99Å; Q52-E54 VanDerWaalsContact C-N 3.27Å; Q52-E54 PolarHBondContact O-N 3.47Å; Q52-E55 PolarHBondContact O-N 3.48Å; Q52-D56 PolarHBondContact NE2-OD1 3.4Å; Q52-D56 WeakPolarHBondContact O-CB 3.49Å; Q52-D56 PolarHBondContact O-N 3.05Å
53S98.4Very high98.3Very high74 Ų7499.2 Ų99.252%0.51752%0.523SS..Hα-helixtrans-64.3-33.2178.1-179.50000112.1L49 I50 K57L49-S53 VanDerWaalsContact O-CB 3.28Å; L49-S53 WeakPolarHBondContact O-CB 3.38Å; L49-S53 PolarHBondContact O-N 2.8Å; I50-S53 PolarHBondContact O-N 3.48Å; I50-S53 VanDerWaalsContact O-N 3.1Å; S53-K57 VanDerWaalsContact O-CB 3.22Å; S53-K57 WeakPolarHBondContact O-CB 3.22Å; S53-K57 PolarHBondContact O-N 3.28Å
54E98.4Very high98.3Very high123 Ų12397 Ų9758%0.57552%0.517SS*.Hα-helixtrans-70.9-40.2175.4-72.8-172.2171.700111.5I50 D51 Q52 K57 A58I50-E54 HydrophobicContact CG2-CG 4.44Å; I50-E54 WeakPolarHBondContact O-CG 3.16Å; I50-E54 PolarHBondContact O-N 3.48Å; D51-E54 PolarHBondContact O-N 3.27Å; Q52-E54 VanDerWaalsContact C-N 3.27Å; Q52-E54 PolarHBondContact O-N 3.47Å; E54-K57 PolarHBondContact O-N 3.06Å; E54-A58 WeakPolarHBondContact O-CB 3.1Å; E54-A58 PolarHBondContact O-N 2.97Å
55E98.5Very high98.2Very high128 Ų12896.5 Ų96.560%0.59852%0.515SS*.Hα-helixtrans-62.4-48.6173-174.5176.6-16900111.6D51 Q52 K57 A58 S59D51-E55 PolarHBondContact O-N 2.73Å; Q52-E55 PolarHBondContact O-N 3.48Å; E55-K57 VanDerWaalsContact C-N 3.31Å; E55-K57 PolarHBondContact O-N 3.32Å; E55-A58 PolarHBondContact O-N 3.49Å; E55-A58 VanDerWaalsContact O-N 3.16Å; E55-S59 PolarHBondContact O-N 3.16Å
56D98.3Very high98.1Very high77 Ų7798.3 Ų98.341%0.41252%0.516SS..Hα-helixtrans-60.9-42.3178.5-68.4-10000110.8Q52 S59 M60Q52-D56 PolarHBondContact NE2-OD1 3.4Å; Q52-D56 WeakPolarHBondContact O-CB 3.49Å; Q52-D56 PolarHBondContact O-N 3.05Å; D56-S59 WeakPolarHBondContact O-CB 3.38Å; D56-S59 PolarHBondContact O-N 2.95Å; D56-M60 WeakPolarHBondContact O-CG 3.42Å; D56-M60 PolarHBondContact O-N 3.32Å
57K98.2Very high98.1Very high137 Ų13798.5 Ų98.560%0.59651%0.514SS*.Hα-helixtrans-61.6-45.6174.8179-177.8175.5-172.60111.6S53 E54 E55 S59 M60 V61S53-K57 VanDerWaalsContact O-CB 3.22Å; S53-K57 WeakPolarHBondContact O-CB 3.22Å; S53-K57 PolarHBondContact O-N 3.28Å; E54-K57 PolarHBondContact O-N 3.06Å; E55-K57 VanDerWaalsContact C-N 3.31Å; E55-K57 PolarHBondContact O-N 3.32Å; K57-S59 VanDerWaalsContact C-N 3.31Å; K57-S59 PolarHBondContact O-N 2.91Å; K57-M60 PolarHBondContact O-N 2.78Å; K57-V61 VanDerWaalsContact O-CG2 3.26Å; K57-V61 WeakPolarHBondContact O-CG2 3.19Å; K57-V61 PolarHBondContact O-N 3.1Å
58A98Very high98Very high52 Ų5298 Ų9843%0.4351%0.511SS..Hα-helixtrans-62.3-40.3177.900000111.5E54 E55 V61 N62E54-A58 WeakPolarHBondContact O-CB 3.1Å; E54-A58 PolarHBondContact O-N 2.97Å; E55-A58 PolarHBondContact O-N 3.49Å; E55-A58 VanDerWaalsContact O-N 3.16Å; A58-V61 PolarHBondContact O-N 3.45Å; A58-N62 VanDerWaalsContact O-CG 3.29Å; A58-N62 PolarHBondContact O-N 3.33Å; A58-N62 PolarHBondContact O-ND2 2.96Å; A58-N62 VanDerWaalsContact O-ND2 3.16Å
59S98.2Very high97.8Very high71 Ų7196.7 Ų96.750%0.49751%0.508SS..Hα-helixtrans-60-50.3174.6-173.40000112E55 D56 K57 V61 N62 E63E55-S59 PolarHBondContact O-N 3.16Å; D56-S59 WeakPolarHBondContact O-CB 3.38Å; D56-S59 PolarHBondContact O-N 2.95Å; K57-S59 VanDerWaalsContact C-N 3.31Å; K57-S59 PolarHBondContact O-N 2.91Å; S59-V61 VanDerWaalsContact C-N 3.34Å; S59-V61 PolarHBondContact O-N 3.23Å; S59-N62 WeakPolarHBondContact O-CB 3.44Å; S59-N62 PolarHBondContact O-N 2.93Å; S59-E63 PolarHBondContact O-N 3.23Å
60M98Very high97.7Very high112 Ų11295.2 Ų95.255%0.55250%0.5SS*.Hα-helixtrans-62.4-39.1177.8-72.6-173-67.600112.7D56 K57 N62 E63 V64D56-M60 WeakPolarHBondContact O-CG 3.42Å; D56-M60 PolarHBondContact O-N 3.32Å; K57-M60 PolarHBondContact O-N 2.78Å; M60-N62 VanDerWaalsContact C-N 3.34Å; M60-N62 PolarHBondContact O-N 3.32Å; M60-E63 PolarHBondContact O-N 2.91Å; M60-V64 WeakPolarHBondContact O-CB 3.24Å; M60-V64 VanDerWaalsContact O-CG2 3.32Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.36Å
61V98.3Very high97.5Very high72 Ų7295.7 Ų95.744%0.43650%0.502SS..Hα-helixtrans-60.8-45.3175.7168.30000110.6K57 A58 S59 E63 V64 D65K57-V61 VanDerWaalsContact O-CG2 3.26Å; K57-V61 WeakPolarHBondContact O-CG2 3.19Å; K57-V61 PolarHBondContact O-N 3.1Å; A58-V61 PolarHBondContact O-N 3.45Å; S59-V61 VanDerWaalsContact C-N 3.34Å; S59-V61 PolarHBondContact O-N 3.23Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 2.68Å; V61-V64 PolarHBondContact O-N 3.01Å; V61-D65 WeakPolarHBondContact O-CB 3.42Å; V61-D65 PolarHBondContact O-N 3.43Å
62N97.9Very high97.2Very high107 Ų10793.8 Ų93.857%0.57250%0.501SS*.Hα-helixtrans-62.4-39.1176.9-69.5-32.6000112.4A58 S59 M60 H66A58-N62 VanDerWaalsContact O-CG 3.29Å; A58-N62 PolarHBondContact O-N 3.33Å; A58-N62 PolarHBondContact O-ND2 2.96Å; A58-N62 VanDerWaalsContact O-ND2 3.16Å; S59-N62 WeakPolarHBondContact O-CB 3.44Å; S59-N62 PolarHBondContact O-N 2.93Å; M60-N62 VanDerWaalsContact C-N 3.34Å; M60-N62 PolarHBondContact O-N 3.32Å; N62-H66 WeakPolarHBondContact O-CB 3.48Å; N62-H66 PolarHBondContact O-N 2.82Å
63E97.8Very high97Very high122 Ų12293.5 Ų93.557%0.5751%0.505SS*.Hα-helixtrans-66-44.7176.5-173.7176.7-175.800111.8S59 M60 V61 D65 H66 L67S59-E63 PolarHBondContact O-N 3.23Å; M60-E63 PolarHBondContact O-N 2.91Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 2.68Å; E63-D65 VanDerWaalsContact C-N 3.34Å; E63-D65 PolarHBondContact O-N 3.2Å; E63-H66 WeakPolarHBondContact O-CB 3.39Å; E63-H66 PolarHBondContact O-N 3.27Å; E63-L67 HydrophobicContact CG-CD1 4.42Å; E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 3.47Å
64V97.6Very high96.6Very high78 Ų7896.3 Ų96.347%0.47351%0.508SS..Hα-helixtrans-61-44175.8168.60000111M60 V61 H66 L67 N68M60-V64 WeakPolarHBondContact O-CB 3.24Å; M60-V64 VanDerWaalsContact O-CG2 3.32Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.36Å; V61-V64 PolarHBondContact O-N 3.01Å; V64-H66 VanDerWaalsContact C-N 3.31Å; V64-H66 PolarHBondContact O-N 3.36Å; V64-L67 PolarHBondContact O-N 2.91Å; V64-N68 WeakPolarHBondContact O-CB 3.47Å; V64-N68 VanDerWaalsContact O-CG 3.3Å; V64-N68 PolarHBondContact O-N 3.02Å; V64-N68 PolarHBondContact O-ND2 2.81Å
65D97.3Very high96.1Very high81 Ų8194.3 Ų94.343%0.43350%0.501SS..Hα-helixtrans-62-39.7176.5-77-16.8000111.8V61 E63 N68 Q69V61-D65 WeakPolarHBondContact O-CB 3.42Å; V61-D65 PolarHBondContact O-N 3.43Å; E63-D65 VanDerWaalsContact C-N 3.34Å; E63-D65 PolarHBondContact O-N 3.2Å; D65-N68 PolarHBondContact O-N 2.83Å; D65-Q69 VanDerWaalsContact O-CG 3.31Å; D65-Q69 WeakPolarHBondContact O-CG 3.32Å; D65-Q69 PolarHBondContact O-N 3.42Å
66H96.8Very high95.6Very high105 Ų10590.8 Ų90.849%0.48649%0.493SS..Hα-helixtrans-63.4-45.8174.7-177.162.5000112.2N62 E63 V64 N68 Q69 L70N62-H66 WeakPolarHBondContact O-CB 3.48Å; N62-H66 PolarHBondContact O-N 2.82Å; E63-H66 WeakPolarHBondContact O-CB 3.39Å; E63-H66 PolarHBondContact O-N 3.27Å; V64-H66 VanDerWaalsContact C-N 3.31Å; V64-H66 PolarHBondContact O-N 3.36Å; H66-N68 VanDerWaalsContact C-N 3.34Å; H66-N68 PolarHBondContact O-N 3.45Å; H66-Q69 WeakPolarHBondContact O-CB 3.47Å; H66-Q69 PolarHBondContact O-N 3.04Å; H66-L70 PolarHBondContact O-N 3.31Å
67L97.2Very high94.9Very high85 Ų8593.2 Ų93.245%0.44550%0.504SS..Hα-helixtrans-62.8-41.1177.1-70.8172.8000111.8E63 V64 Q69 L70 I71E63-L67 HydrophobicContact CG-CD1 4.42Å; E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 3.47Å; V64-L67 PolarHBondContact O-N 2.91Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 2.92Å; L67-L70 PolarHBondContact O-N 3.36Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 2.98Å
68N96.6Very high94.1Very high88 Ų8891.2 Ų91.247%0.47150%0.499SS..Hα-helixtrans-61.1-39.9175.6-76.5-31.9000112V64 D65 H66 I71 A72V64-N68 WeakPolarHBondContact O-CB 3.47Å; V64-N68 VanDerWaalsContact O-CG 3.3Å; V64-N68 PolarHBondContact O-N 3.02Å; V64-N68 PolarHBondContact O-ND2 2.81Å; D65-N68 PolarHBondContact O-N 2.83Å; H66-N68 VanDerWaalsContact C-N 3.34Å; H66-N68 PolarHBondContact O-N 3.45Å; N68-I71 PolarHBondContact O-N 3.45Å; N68-A72 WeakPolarHBondContact O-CB 3.48Å; N68-A72 PolarHBondContact O-N 2.99Å
69Q95.3Very high93Very high128 Ų12895.1 Ų95.160%0.59851%0.512SS*.Hα-helixtrans-63.3-43173.9-70.6170.224.800111.9D65 H66 L67 A72 V73D65-Q69 VanDerWaalsContact O-CG 3.31Å; D65-Q69 WeakPolarHBondContact O-CG 3.32Å; D65-Q69 PolarHBondContact O-N 3.42Å; H66-Q69 WeakPolarHBondContact O-CB 3.47Å; H66-Q69 PolarHBondContact O-N 3.04Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 2.92Å; Q69-A72 PolarHBondContact O-N 3.24Å; Q69-V73 WeakPolarHBondContact O-CG2 3.49Å; Q69-V73 PolarHBondContact O-N 3.45Å
70L95.3Very high91.5Very high92 Ų92102.1 Ų102.148%0.48253%0.528SS..Hα-helixtrans-63.3-41177.1-70.5176.4000112.3H66 L67 V73 K74H66-L70 PolarHBondContact O-N 3.31Å; L67-L70 PolarHBondContact O-N 3.36Å; L70-V73 PolarHBondContact O-N 2.92Å; L70-K74 WeakPolarHBondContact O-CB 3.21Å; L70-K74 PolarHBondContact O-N 2.93Å
71I94.9Very high89.8Confident89 Ų8999.2 Ų99.246%0.45652%0.521SS..Hα-helixtrans-62.5-47.9175.4-69.1165.1000110.1L67 N68 V73 K74 D75L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 2.98Å; N68-I71 PolarHBondContact O-N 3.45Å; I71-V73 VanDerWaalsContact C-N 3.29Å; I71-V73 PolarHBondContact O-N 3.35Å; I71-K74 WeakPolarHBondContact O-CB 3.38Å; I71-K74 PolarHBondContact O-N 3.25Å; I71-D75 PolarHBondContact O-N 3.4Å
72A92.7Very high87.5Confident62 Ų62101.9 Ų101.951%0.51254%0.538SS..Hα-helixtrans-58.6-40.2178.400000112.4N68 Q69 A76N68-A72 WeakPolarHBondContact O-CB 3.48Å; N68-A72 PolarHBondContact O-N 2.99Å; Q69-A72 PolarHBondContact O-N 3.24Å; A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 3Å; A72-A76 VanDerWaalsContact O-N 3.11Å
73V92.4Very high85.5Confident80 Ų80105.3 Ų105.349%0.48555%0.548SS..Hα-helixtrans-64.6-45174.1170.70000111.2Q69 L70 I71 A76 M77Q69-V73 WeakPolarHBondContact O-CG2 3.49Å; Q69-V73 PolarHBondContact O-N 3.45Å; L70-V73 PolarHBondContact O-N 2.92Å; I71-V73 VanDerWaalsContact C-N 3.29Å; I71-V73 PolarHBondContact O-N 3.35Å; V73-A76 PolarHBondContact O-N 3.08Å; V73-M77 HydrophobicContact CG1-CE 3.78Å; V73-M77 WeakPolarHBondContact O-CG 3.36Å; V73-M77 PolarHBondContact O-N 3.34Å
74K90.6Very high82.8Confident134 Ų134104.2 Ų104.258%0.58355%0.552SS**Hα-helixtrans-63.3-44.5179.6-175.4-177.4176.4-176.50111.9L70 I71 A76 M77 I78L70-K74 WeakPolarHBondContact O-CB 3.21Å; L70-K74 PolarHBondContact O-N 2.93Å; I71-K74 WeakPolarHBondContact O-CB 3.38Å; I71-K74 PolarHBondContact O-N 3.25Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 3.25Å; K74-M77 WeakPolarHBondContact O-CB 3.39Å; K74-M77 PolarHBondContact O-N 2.91Å; K74-M77 VanDerWaalsContact O-N 3.07Å; K74-I78 HydrophobicContact CG-CD1 4.02Å; K74-I78 WeakPolarHBondContact O-CG1 3.43Å; K74-I78 PolarHBondContact O-N 3.22Å
75D89.2Confident80.6Confident81 Ų81106.6 Ų106.643%0.43357%0.569SS.*Hα-helixtrans-62.5-39.8177.1-71.7-16.7000111.2I71 M77 I78 N79I71-D75 PolarHBondContact O-N 3.4Å; D75-M77 VanDerWaalsContact C-N 3.3Å; D75-M77 PolarHBondContact O-N 2.89Å; D75-I78 PolarHBondContact O-N 2.95Å; D75-N79 WeakPolarHBondContact O-CB 3.37Å; D75-N79 VanDerWaalsContact O-CG 3.26Å; D75-N79 PolarHBondContact O-N 3.39Å; D75-N79 PolarHBondContact O-ND2 2.81Å; D75-N79 VanDerWaalsContact O-ND2 3.13Å
76A86.4Confident78.1Confident53 Ų53108.7 Ų108.744%0.43859%0.585SS.*Hα-helixtrans-62.9-34.417300000112.9A72 V73 K74 R80A72-A76 WeakPolarHBondContact O-CB 3.42Å; A72-A76 PolarHBondContact O-N 3Å; A72-A76 VanDerWaalsContact O-N 3.11Å; V73-A76 PolarHBondContact O-N 3.08Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 3.25Å; A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 3.44Å
77M84Confident75.6Confident128 Ų128108.2 Ų108.263%0.63160%0.599SS**Hα-helixtrans-72.6-43.7175.2-69.3-175.3-177.900112.4V73 K74 D75 N79 R80 A81V73-M77 HydrophobicContact CG1-CE 3.78Å; V73-M77 WeakPolarHBondContact O-CG 3.36Å; V73-M77 PolarHBondContact O-N 3.34Å; K74-M77 WeakPolarHBondContact O-CB 3.39Å; K74-M77 PolarHBondContact O-N 2.91Å; K74-M77 VanDerWaalsContact O-N 3.07Å; D75-M77 VanDerWaalsContact C-N 3.3Å; D75-M77 PolarHBondContact O-N 2.89Å; M77-N79 VanDerWaalsContact C-N 3.33Å; M77-N79 PolarHBondContact O-N 2.71Å; M77-R80 PolarHBondContact O-N 3.35Å; M77-R80 VanDerWaalsContact O-N 3.1Å; M77-A81 PolarHBondContact O-N 2.77Å; M77-A81 VanDerWaalsContact O-N 3.12Å
78I81Confident73.1Confident95 Ų95109.8 Ų109.849%0.48761%0.612SS.*Hα-helixtrans-61.3-43.6177.9-68.3168.8000110.3K74 D75 R80 A81K74-I78 HydrophobicContact CG-CD1 4.02Å; K74-I78 WeakPolarHBondContact O-CG1 3.43Å; K74-I78 PolarHBondContact O-N 3.22Å; D75-I78 PolarHBondContact O-N 2.95Å; I78-R80 PolarHBondContact O-N 3.02Å; I78-R80 VanDerWaalsContact O-N 3.17Å; I78-A81 PolarHBondContact O-N 2.96Å
79N75Confident70.1Confident134 Ų134114.2 Ų114.272%0.71763%0.632SS**THydrogen-bonded Turntrans-64.7-19.1177.7-71.5-29.7000113.5D75 M77D75-N79 WeakPolarHBondContact O-CB 3.37Å; D75-N79 VanDerWaalsContact O-CG 3.26Å; D75-N79 PolarHBondContact O-N 3.39Å; D75-N79 PolarHBondContact O-ND2 2.81Å; D75-N79 VanDerWaalsContact O-ND2 3.13Å; M77-N79 VanDerWaalsContact C-N 3.33Å; M77-N79 PolarHBondContact O-N 2.71Å
80R68.1Low67.2Low219 Ų219115.4 Ų115.483%0.82664%0.642SS**THydrogen-bonded Turntrans-88.5-20.7171.4-72.4-179.8178-171.51.1113.3A76 M77 I78 T82A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 3.44Å; M77-R80 PolarHBondContact O-N 3.35Å; M77-R80 VanDerWaalsContact O-N 3.1Å; I78-R80 PolarHBondContact O-N 3.02Å; I78-R80 VanDerWaalsContact O-N 3.17Å; R80-T82 VanDerWaalsContact C-N 3.27Å; R80-T82 PolarHBondContact O-N 3.36Å
81A62.1Low64.3Low50 Ų50115.7 Ų115.741%0.41366%0.657SS.*  trans-80.575.3177.400000109.9M77 I78 F83M77-A81 PolarHBondContact O-N 2.77Å; M77-A81 VanDerWaalsContact O-N 3.12Å; I78-A81 PolarHBondContact O-N 2.96Å; A81-F83 VanDerWaalsContact C-N 3.27Å; A81-F83 HydrophobicContact CB-CD2 4.15Å; A81-F83 HydrophobicContact CB-CE2 3.85Å; A81-F83 PolarHBondContact O-N 3.41Å
82T49Very low61.5Low129 Ų129118 Ų11879%0.79168%0.675SS**  trans-69.584.8170.1-410000109.1R80R80-T82 VanDerWaalsContact C-N 3.27Å; R80-T82 PolarHBondContact O-N 3.36Å
83F55.9Low58.9Low178 Ų178123.8 Ų123.878%0.78169%0.692SS**  trans-74.3128164.7-72.4-80.9000108.3A81A81-F83 VanDerWaalsContact C-N 3.27Å; A81-F83 HydrophobicContact CB-CD2 4.15Å; A81-F83 HydrophobicContact CB-CE2 3.85Å; A81-F83 PolarHBondContact O-N 3.41Å
84P42.3Very low55.8Low99 Ų99125.3 Ų125.364%0.64371%0.706SS**  trans-61.1139.5172.225.8-32000108.9T86P84-T86 PolarHBondContact O-N 3.28Å
85P51.2Low53.8Low129 Ų129124.7 Ų124.784%0.83872%0.716SS**  trans-57.9113-18023.5-32.5000109.2A87P85-A87 PolarHBondContact O-N 2.86Å
86T45.1Very low51.4Low125 Ų125126.3 Ų126.377%0.76773%0.731SS**  trans-82100.1170.7-55.70000106.8P84 V88P84-T86 PolarHBondContact O-N 3.28Å; T86-V88 PolarHBondContact O-N 2.89Å; T86-V88 VanDerWaalsContact O-N 3.11Å
87A42.9Very low49Very low95 Ų95133.3 Ų133.379%0.78575%0.754SS**  trans-63.4109.9171.600000109P85P85-A87 PolarHBondContact O-N 2.86Å
88V44.3Very low46.4Very low118 Ų118135.9 Ų135.972%0.71577%0.765SS**  trans-86.1108.6170.4178.80000107.3T86 L90T86-V88 PolarHBondContact O-N 2.89Å; T86-V88 VanDerWaalsContact O-N 3.11Å; V88-L90 PolarHBondContact O-N 3.38Å
89M34.2Very low44Very low180 Ų180136.3 Ų136.389%0.88778%0.776SS**  trans-73.6110.3165.4-79.1-172.764.700108.5A91M89-A91 PolarHBondContact O-N 3.2Å
90L33.5Very low41.8Very low154 Ų154138.1 Ų138.181%0.80679%0.785SS**  trans-69.8109.1167-72.5164.4000107.9V88 T92V88-L90 PolarHBondContact O-N 3.38Å; L90-T92 PolarHBondContact O-N 2.99Å; L90-T92 VanDerWaalsContact O-N 3.15Å
91A34.9Very low39.9Very low97 Ų97136.4 Ų136.480%0.80279%0.786SS**  trans-66.511117100000108.9M89 E93M89-A91 PolarHBondContact O-N 3.2Å; A91-E93 VanDerWaalsContact C-N 3.3Å; A91-E93 PolarHBondContact O-N 3.45Å; A91-E93 VanDerWaalsContact O-N 3.09Å
92T37.6Very low38.1Very low137 Ų137143.4 Ų143.484%0.8481%0.807SS**  trans-78.678.4170.938.50000110L90L90-T92 PolarHBondContact O-N 2.99Å; L90-T92 VanDerWaalsContact O-N 3.15Å
93E37Very low37.1Very low184 Ų184140.6 Ų140.686%0.8679%0.793SS**  trans-14394.8159.5-71.1-166.6162.100109.8A91A91-E93 VanDerWaalsContact C-N 3.3Å; A91-E93 PolarHBondContact O-N 3.45Å; A91-E93 VanDerWaalsContact O-N 3.09Å
94S27.4Very low36.3Very low113 Ų113138 Ų13879%0.7979%0.794SS**  trans-67.6143.6147.145.30000108.6
95P48.3Very low35.8Very low121 Ų121140.1 Ų140.179%0.78680%0.8SS**  cis-144.3-167.53933.1-7.3000112.5
96P40Very low34.9Very low114 Ų114138.1 Ų138.174%0.7479%0.789SS**  cis-126.8158.58.532.3-10.6000117.2E98P96-E98 PolarHBondContact O-N 2.82Å
97Q34.8Very low34.5Very low200 Ų200139.5 Ų139.594%0.93579%0.791SS**  trans-60.193.1170.3-71.7175.9-60.700110.4
98E30.2Very low34.2Very low182 Ų182140.2 Ų140.285%0.8579%0.79SS**  trans-76129.7155.6-87-176.8157.600108.9P96 L100P96-E98 PolarHBondContact O-N 2.82Å; E98-L100 PolarHBondContact O-N 2.84Å
99S29.9Very low34Very low104 Ų104136.1 Ų136.173%0.72777%0.772SS**  trans-47.8132.8-176.339.50000111.6Q101S99-Q101 VanDerWaalsContact C-N 3.25Å; S99-Q101 PolarHBondContact O-N 3.48Å
100L29.6Very low34.2Very low172 Ų172134.1 Ų134.190%0.90176%0.76SS**  trans-55.193.9164.7-86.4100.3000108.5E98 K102E98-L100 PolarHBondContact O-N 2.84Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 2.72Å
101Q27.7Very low34.7Very low183 Ų183129 Ų12986%0.85574%0.737SS**  trans-62104.3155.3-86.7-173.4-19.100105.6S99 S103S99-Q101 VanDerWaalsContact C-N 3.25Å; S99-Q101 PolarHBondContact O-N 3.48Å; Q101-S103 VanDerWaalsContact C-N 3.25Å; Q101-S103 PolarHBondContact O-N 3.18Å
102K24.8Very low35.3Very low197 Ų197129.5 Ų129.586%0.85772%0.723SS**  trans-5196.8161.9-86.3178.8171.2179.80107.4L100 P104L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 2.72Å; K102-P104 WeakPolarHBondContact O-CD 3.46Å
103S27.2Very low35.6Very low70 Ų70126.9 Ų126.949%0.4970%0.704SS.*  trans-56.1119.5157.4159.60000106.8Q101 N105 S106Q101-S103 VanDerWaalsContact C-N 3.25Å; Q101-S103 PolarHBondContact O-N 3.18Å; S103-N105 PolarHBondContact O-N 3.49Å; S103-N105 PolarHBondContact OG-N 3.44Å; S103-S106 PolarHBondContact O-OG 3.42Å
104P38.5Very low36Very low124 Ų124121.9 Ų121.981%0.80568%0.682SS**THydrogen-bonded Turntrans-67.81.5-179.826.6-31.9000113.4K102K102-P104 WeakPolarHBondContact O-CD 3.46Å
105N33.2Very low36.9Very low143 Ų143119 Ų11977%0.76566%0.658SS**THydrogen-bonded Turntrans-102.920.6-174.9-70.17.6000114S103S103-N105 PolarHBondContact O-N 3.49Å; S103-N105 PolarHBondContact OG-N 3.44Å
106S32.5Very low36.8Very low88 Ų88119.4 Ų119.462%0.61565%0.649SS**  trans-118.747.7-179.357.30000113.4S103S103-S106 PolarHBondContact O-OG 3.42Å
107L35.5Very low37.2Very low154 Ų154120.2 Ų120.281%0.80665%0.646SS**  trans-144.661159.6-85.2112.4000109.3
108S37.9Very low37.8Very low109 Ų109113.7 Ų113.776%0.76262%0.617SS**  trans-118.848.5152.878.20000108
109G38.9Very low38.6Very low32 Ų32106.4 Ų106.433%0.3359%0.591SS.*  trans-72.6137.9167.400000107.7S111 E112G109-S111 PolarHBondContact O-N 2.88Å; G109-S111 PolarHBondContact O-OG 3.21Å; G109-E112 PolarHBondContact O-N 3.45Å; G109-E112 VanDerWaalsContact O-N 3.1Å
110H38.9Very low39.2Very low138 Ų138102.7 Ų102.764%0.63956%0.562SS**THydrogen-bonded Turntrans-45.4-7.6-179.8-60.5-61.9000116.5E112 D113 I114H110-E112 VanDerWaalsContact C-N 3.29Å; H110-E112 PolarHBondContact O-N 3.44Å; H110-D113 IonicContact ND1-OD2 3.37Å; H110-D113 PolarHBondContact ND1-OD2 3.08Å; H110-D113 PolarHBondContact O-N 3.22Å; H110-I114 WeakPolarHBondContact O-CB 3.33Å; H110-I114 WeakPolarHBondContact O-CD1 3.3Å; H110-I114 WeakPolarHBondContact O-CG1 3.5Å; H110-I114 PolarHBondContact O-N 3.11Å
111S43.7Very low39.8Very low46 Ų4698 Ų9832%0.32254%0.54SS..Hα-helixtrans-59.6-35.4168.550.90000113.4G109 L115G109-S111 PolarHBondContact O-N 2.88Å; G109-S111 PolarHBondContact O-OG 3.21Å; S111-L115 WeakPolarHBondContact O-CB 3.28Å; S111-L115 WeakPolarHBondContact O-CG 3.49Å; S111-L115 PolarHBondContact O-N 3.02Å
112E46.8Very low40.5Very low109 Ų10994.4 Ų94.451%0.50954%0.536SS..Hα-helixtrans-68.3-42176.6-141.489.7-157.100110.3G109 H110 L115 Q116G109-E112 PolarHBondContact O-N 3.45Å; G109-E112 VanDerWaalsContact O-N 3.1Å; H110-E112 VanDerWaalsContact C-N 3.29Å; H110-E112 PolarHBondContact O-N 3.44Å; E112-L115 PolarHBondContact O-N 3.41Å; E112-Q116 WeakPolarHBondContact O-CB 3.47Å; E112-Q116 PolarHBondContact O-N 3.44Å
113D45.9Very low41.4Very low82 Ų8291.8 Ų91.844%0.43953%0.531SS..Hα-helixtrans-62.4-43176-56.8-25.9000110.9H110 Q116 L117H110-D113 IonicContact ND1-OD2 3.37Å; H110-D113 PolarHBondContact ND1-OD2 3.08Å; H110-D113 PolarHBondContact O-N 3.22Å; D113-Q116 PolarHBondContact O-N 2.89Å; D113-L117 WeakPolarHBondContact O-CB 3.38Å; D113-L117 PolarHBondContact O-N 2.99Å
114I44.8Very low42.3Very low78 Ų7890.1 Ų90.140%0.452%0.519SS..Hα-helixtrans-64.8-40.7176.1-68163.3000110.5H110 L117 I118H110-I114 WeakPolarHBondContact O-CB 3.33Å; H110-I114 WeakPolarHBondContact O-CD1 3.3Å; H110-I114 WeakPolarHBondContact O-CG1 3.5Å; H110-I114 PolarHBondContact O-N 3.11Å; I114-L117 PolarHBondContact O-N 2.79Å; I114-I118 HydrophobicContact CG2-CD1 3.58Å; I114-I118 HydrophobicContact CG2-CG1 4.38Å; I114-I118 WeakPolarHBondContact O-CD1 3.47Å; I114-I118 WeakPolarHBondContact O-CG1 3.31Å; I114-I118 PolarHBondContact O-N 2.87Å
115L45.7Very low42.6Very low53 Ų5392.6 Ų92.628%0.27753%0.526SS..Hα-helixtrans-69.7-32.6176.7-71.1173.4000112.6S111 E112 G119 F120S111-L115 WeakPolarHBondContact O-CB 3.28Å; S111-L115 WeakPolarHBondContact O-CG 3.49Å; S111-L115 PolarHBondContact O-N 3.02Å; E112-L115 PolarHBondContact O-N 3.41Å; L115-G119 PolarHBondContact O-N 3.34Å; L115-F120 HydrophobicContact CD2-CD2 4.47Å; L115-F120 PolarHBondContact O-N 3.23Å
116Q47.1Very low43.2Very low129 Ų12989.8 Ų89.860%0.60351%0.51SS*.Hα-helixtrans-66.4-44.7168.9-86.3-173.8-9.400111.5E112 D113 I118 G119E112-Q116 WeakPolarHBondContact O-CB 3.47Å; E112-Q116 PolarHBondContact O-N 3.44Å; D113-Q116 PolarHBondContact O-N 2.89Å; Q116-I118 VanDerWaalsContact C-N 3.29Å; Q116-I118 PolarHBondContact O-N 3Å; Q116-G119 WeakPolarHBondContact O-CA 3.26Å; Q116-G119 PolarHBondContact O-N 3.41Å
117L46.7Very low43.9Very low131 Ų13191.6 Ų91.669%0.68652%0.518SS*.Hα-helixtrans-60.4-39.8177.4-131.284.7000111.5D113 I114 G119D113-L117 WeakPolarHBondContact O-CB 3.38Å; D113-L117 PolarHBondContact O-N 2.99Å; I114-L117 PolarHBondContact O-N 2.79Å; L117-G119 PolarHBondContact O-N 3.05Å
118I47.9Very low44.5Very low63 Ų6386.5 Ų86.532%0.32349%0.491SS..THydrogen-bonded Turntrans-82.13.9177.2-49.7160.2000111.3I114 Q116 F120 M172I114-I118 HydrophobicContact CG2-CD1 3.58Å; I114-I118 HydrophobicContact CG2-CG1 4.38Å; I114-I118 WeakPolarHBondContact O-CD1 3.47Å; I114-I118 WeakPolarHBondContact O-CG1 3.31Å; I114-I118 PolarHBondContact O-N 2.87Å; Q116-I118 VanDerWaalsContact C-N 3.29Å; Q116-I118 PolarHBondContact O-N 3Å; I118-F120 VanDerWaalsContact C-N 3.27Å; I118-F120 HydrophobicContact CB-CD2 3.86Å; I118-F120 HydrophobicContact CB-CE2 4.11Å; I118-F120 HydrophobicContact CG2-CD2 3.61Å; I118-F120 HydrophobicContact CG2-CE2 3.35Å; I118-F120 HydrophobicContact CG2-CZ 4.46Å; I118-F120 PolarHBondContact O-N 3.39Å; I118-M172 HydrophobicContact CD1-CE 4.11Å; I118-M172 HydrophobicContact CD1-SD 4.06Å; I118-M172 HydrophobicContact CG2-CE 4.36Å
119G47.6Very low44.8Very low29 Ų2990.4 Ų90.430%0.29949%0.489SS..THydrogen-bonded Turntrans65.126.8172.400000114.1L115 Q116 L117 T121L115-G119 PolarHBondContact O-N 3.34Å; Q116-G119 WeakPolarHBondContact O-CA 3.26Å; Q116-G119 PolarHBondContact O-N 3.41Å; L117-G119 PolarHBondContact O-N 3.05Å; G119-T121 PolarHBondContact O-N 3.46Å
120F42.1Very low45.1Very low27 Ų2794.1 Ų94.112%0.11850%0.501CS..  trans-85.943.9174.2-76.1-73.1000111.7L115 I118 R141 M172L115-F120 HydrophobicContact CD2-CD2 4.47Å; L115-F120 PolarHBondContact O-N 3.23Å; I118-F120 VanDerWaalsContact C-N 3.27Å; I118-F120 HydrophobicContact CB-CD2 3.86Å; I118-F120 HydrophobicContact CB-CE2 4.11Å; I118-F120 HydrophobicContact CG2-CD2 3.61Å; I118-F120 HydrophobicContact CG2-CE2 3.35Å; I118-F120 HydrophobicContact CG2-CZ 4.46Å; I118-F120 PolarHBondContact O-N 3.39Å; F120-R141 HydrophobicContact CE1-CB 3.95Å; F120-R141 HydrophobicContact CZ-CB 4.44Å; F120-M172 HydrophobicContact CD2-CE 4.3Å; F120-M172 HydrophobicContact CE2-CE 3.46Å; F120-M172 VanDerWaalsContact CE2-CE 3.46Å; F120-M172 HydrophobicContact CZ-CE 4.13Å
121T43Very low45.5Very low73 Ų7390.9 Ų90.945%0.44849%0.49SS..  trans-74.6132.5165.562.80000108.3G119 N123 S124G119-T121 PolarHBondContact O-N 3.46Å; T121-N123 PolarHBondContact O-N 3.42Å; T121-S124 PolarHBondContact O-N 2.9Å
122S42.4Very low45.7Very low108 Ų10895 Ų9576%0.75551%0.505SS*.THydrogen-bonded Turntrans-59.42.7178.944.90000115.4
123N43.1Very low45.5Very low141 Ų14191.1 Ų91.175%0.75449%0.489SS*.THydrogen-bonded Turntrans-103.84.4-173.8-66.9-2.2000113.9T121T121-N123 PolarHBondContact O-N 3.42Å
124S45.6Very low45.5Very low35 Ų3595.2 Ų95.225%0.24551%0.511CS..  trans-81.2122.7168.361.80000109.2T121 L126T121-S124 PolarHBondContact O-N 2.9Å; S124-L126 PolarHBondContact O-N 2.94Å
125D45.3Very low45.7Very low176 Ų176101.2 Ų101.294%0.94153%0.534SS*.  trans-62.117.2171.8-78-37.2000114.2
126L46.9Very low46Very low85 Ų85101.5 Ų101.545%0.44554%0.54SS..SBendtrans-83.8131.7176.1-74161.5000110S124 I128S124-L126 PolarHBondContact O-N 2.94Å; L126-I128 PolarHBondContact O-N 3.42Å
127T46.2Very low46Very low125 Ų12599.8 Ų99.877%0.76754%0.542SS*.  trans-6494.4178.3-48.10000110.9
128I47.8Very low45.8Very low47 Ų4794.2 Ų94.224%0.24151%0.514CS..PPolyproline II helixtrans-82.3122.6171.4-59.5170.1000108.1L126 L130 R141L126-I128 PolarHBondContact O-N 3.42Å; I128-L130 HydrophobicContact CG2-CD1 4.1Å; I128-R141 HydrophobicContact CG2-CB 4.2Å; I128-R141 HydrophobicContact CG2-CG 4.28Å
129R44.5Very low45.7Very low191 Ų19193.8 Ų93.872%0.72152%0.52SS*.EExtended strand (participates in β ladder)trans-92.9119.9168.6-79.2-170.2169.3-163.3-1.3109.5L142R129-L142 PolarHBondContact N-O 2.99Å; R129-L142 PolarHBondContact O-N 3.45Å
130L46.2Very low45.6Very low111 Ų11193.7 Ų93.758%0.58151%0.512SS*.EExtended strand (participates in β ladder)trans-83.9133.2167-83.883.7000109.1I128 I140 R141I128-L130 HydrophobicContact CG2-CD1 4.1Å; L130-I140 WeakPolarHBondContact CA-O 3.45Å; L130-R141 HydrophobicContact CD1-CG 4.43Å; L130-R141 HydrophobicContact CG-CG 4.18Å
131T46.4Very low45.8Very low69 Ų6997.3 Ų97.342%0.42353%0.525SS..EExtended strand (participates in β ladder)trans-135.3144.7170.7-56.20000107.9I140T131-I140 PolarHBondContact N-O 2.98Å; T131-I140 VanDerWaalsContact O-CA 3.32Å; T131-I140 WeakPolarHBondContact O-CA 3.45Å; T131-I140 VanDerWaalsContact O-CB 3.24Å; T131-I140 WeakPolarHBondContact O-CB 3.29Å; T131-I140 PolarHBondContact O-N 3.43Å; T131-I140 VanDerWaalsContact O-O 3.09Å
132E46.8Very low45.9Very low133 Ų13397.5 Ų97.562%0.62152%0.523SS*.EExtended strand (participates in β ladder)trans-91.6141.9177.8-70.5-177.9174.800111.1N134E132-N134 PolarHBondContact O-N 3.25Å
133C42.7Very low46.1Very low28 Ų2896.3 Ų96.319%0.18950%0.502CS..  trans-69.9120.1173.2178.80000110K135 C136 S137 S138 I140C133-K135 PolarHBondContact O-N 2.95Å; C133-K135 PolarHBondContact SG-N 2.87Å; C133-C136 PolarHBondContact O-N 2.95Å; C133-C136 PolarHBondContact SG-SG 2.89Å; C133-S137 WeakPolarHBondContact O-CA 3.49Å; C133-S137 PolarHBondContact O-N 3.5Å; C133-S138 WeakPolarHBondContact CB-O 3.46Å; C133-S138 PolarHBondContact N-O 2.89Å; C133-I140 HydrophobicContact CB-CD1 3.83Å; C133-I140 HydrophobicContact CB-CG1 4.1Å
134N46.4Very low46.2Very low167 Ų16795.6 Ų95.689%0.89350%0.498SS*.THydrogen-bonded Turntrans-64.1-14.1179.6-61.6-14.7000114.4E132E132-N134 PolarHBondContact O-N 3.25Å
135K49.1Very low46Very low205 Ų20599.4 Ų99.489%0.89151%0.512SS*.THydrogen-bonded Turntrans-97.4-36.3-178.5-71.9-173178.11800114.2C133C133-K135 PolarHBondContact O-N 2.95Å; C133-K135 PolarHBondContact SG-N 2.87Å
136C52.2Low45.7Very low59 Ų5995.4 Ų95.440%0.39950%0.498SS..THydrogen-bonded Turntrans-127.94.8-175.462.70000113.7C133 S138C133-C136 PolarHBondContact O-N 2.95Å; C133-C136 PolarHBondContact SG-SG 2.89Å; C136-S138 PolarHBondContact O-N 3.27Å; C136-S138 VanDerWaalsContact SG-CB 3.55Å; C136-S138 PolarHBondContact SG-OG 3.3Å
137S47.8Very low45Very low92 Ų9297.6 Ų97.664%0.64352%0.515SS*.  trans53.920.9-176.7-55.90000114.1C133C133-S137 WeakPolarHBondContact O-CA 3.49Å; C133-S137 PolarHBondContact O-N 3.5Å
138S42.6Very low44.3Very low14 Ų1498.2 Ų98.210%0.09851%0.509CS..  trans-75.4139.7175.5-66.50000110.3C133 C136 I140 H175C133-S138 WeakPolarHBondContact CB-O 3.46Å; C133-S138 PolarHBondContact N-O 2.89Å; C136-S138 PolarHBondContact O-N 3.27Å; C136-S138 VanDerWaalsContact SG-CB 3.55Å; C136-S138 PolarHBondContact SG-OG 3.3Å; S138-I140 PolarHBondContact O-N 3.25Å; S138-H175 PolarHBondContact OG-CD2 3.32Å
139A44.7Very low43.4Very low55 Ų55102.5 Ų102.546%0.45554%0.538SS..EExtended strand (participates in β ladder)trans-71.1115.3175.800000110.3
140I46.7Very low42.6Very low26 Ų26102.4 Ų102.413%0.13355%0.545CS..EExtended strand (participates in β ladder)trans-90.8120.3172.2-52.5173.8000107.2L130 T131 C133 S138 L142L130-I140 WeakPolarHBondContact CA-O 3.45Å; T131-I140 PolarHBondContact N-O 2.98Å; T131-I140 VanDerWaalsContact O-CA 3.32Å; T131-I140 WeakPolarHBondContact O-CA 3.45Å; T131-I140 VanDerWaalsContact O-CB 3.24Å; T131-I140 WeakPolarHBondContact O-CB 3.29Å; T131-I140 PolarHBondContact O-N 3.43Å; T131-I140 VanDerWaalsContact O-O 3.09Å; C133-I140 HydrophobicContact CB-CD1 3.83Å; C133-I140 HydrophobicContact CB-CG1 4.1Å; S138-I140 PolarHBondContact O-N 3.25Å; I140-L142 HydrophobicContact CG2-CD2 3.97Å; I140-L142 HydrophobicContact CG2-CG 4.1Å
141R45.6Very low41.7Very low103 Ų103103.9 Ų103.939%0.38956%0.559SS.*EExtended strand (participates in β ladder)trans-94.8110.2171.1-75.3-177.2169.4-179-4.3108.4F120 I128 L130F120-R141 HydrophobicContact CE1-CB 3.95Å; F120-R141 HydrophobicContact CZ-CB 4.44Å; I128-R141 HydrophobicContact CG2-CB 4.2Å; I128-R141 HydrophobicContact CG2-CG 4.28Å; L130-R141 HydrophobicContact CD1-CG 4.43Å; L130-R141 HydrophobicContact CG-CG 4.18Å
142L46Very low40.8Very low77 Ų77105.1 Ų105.140%0.40357%0.57SS.*EExtended strand (participates in β ladder)trans-93.4127175.2-63.9168.4000108.9R129 I140R129-L142 PolarHBondContact N-O 2.99Å; R129-L142 PolarHBondContact O-N 3.45Å; I140-L142 HydrophobicContact CG2-CD2 3.97Å; I140-L142 HydrophobicContact CG2-CG 4.1Å
143R45.6Very low39.9Very low84 Ų84104.4 Ų104.432%0.31758%0.58SS.*  trans-110.9130.3174.4-167179.4-169.3159.84.7108.3Q145R143-Q145 PolarHBondContact O-N 3.09Å
144D44.9Very low39.4Very low125 Ų125109.6 Ų109.667%0.66861%0.61SS**  trans-81.2113.4171-152.5-33.1000107.7S146D144-S146 PolarHBondContact OD1-OG 3.11Å
145Q42.4Very low38.5Very low115 Ų115106.4 Ų106.454%0.53760%0.601SS.*  trans-93.38.3-176.4-94.6-173.50.900113.6R143 V147R143-Q145 PolarHBondContact O-N 3.09Å; Q145-V147 PolarHBondContact O-N 3.08Å
146S37.7Very low37.7Very low93 Ų93104.6 Ų104.665%0.6560%0.601SS**THydrogen-bonded Turntrans-668-171.746.60000116.9D144D144-S146 PolarHBondContact OD1-OG 3.11Å
147V33.5Very low36.5Very low131 Ų131110.7 Ų110.779%0.79462%0.624SS**THydrogen-bonded Turntrans-14032.2-174.8-152.20000115.2Q145Q145-V147 PolarHBondContact O-N 3.08Å
148Q30.7Very low35.3Very low138 Ų138113.8 Ų113.865%0.64563%0.628SS**  trans-117.983.9171.8-75.4-166.3-9.900113.2
149T28.5Very low34.7Very low137 Ų137121.6 Ų121.684%0.8467%0.668SS**  trans-129.762.7158.422.80000109.1
150E27.5Very low33.9Very low189 Ų189126.3 Ų126.388%0.88369%0.685SS**  trans-123.6101.8158.3-78.5-166.8168.600109.4S152E150-S152 PolarHBondContact O-N 3.07Å
151V27.6Very low33.3Very low142 Ų142130.9 Ų130.986%0.86171%0.708SS**  trans-80.7107.8172.1-178.90000106.6
152S29Very low32.6Very low95 Ų95132.4 Ų132.466%0.66472%0.724SS**  trans-141.794.2171.6-77.40000111.6E150 V154E150-S152 PolarHBondContact O-N 3.07Å; S152-V154 PolarHBondContact O-N 2.98Å
153S27.5Very low32.4Very low118 Ų118132.4 Ų132.483%0.82572%0.721SS**  trans31.978.1137.553.80000118.2
154V30.9Very low31.7Very low136 Ų136134.2 Ų134.282%0.82474%0.737SS**  trans-134.3138148.9-172.80000108.2S152S152-V154 PolarHBondContact O-N 2.98Å
155S28.3Very low30.9Very low100 Ų100135 Ų13570%0.69974%0.739SS**  trans-47.1131-174.550.50000116.9E157S155-E157 PolarHBondContact O-N 3.27Å
156N32.1Very low31Very low168 Ų168136 Ų13690%0.89875%0.749SS**SBendtrans38.346.8141.2-94.311.4000120.3
157E26.1Very low31.1Very low186 Ų186139.4 Ų139.487%0.86976%0.759SS**  trans-132.6143.8163.2-69-170.4168.400112.3S155S155-E157 PolarHBondContact O-N 3.27Å
158Q24.5Very low31.1Very low158 Ų158139.9 Ų139.974%0.73875%0.753SS**  trans-13.3116.4-170.6-72167.73.500117.6
159L29.4Very low31.7Very low178 Ų178143.1 Ų143.193%0.93277%0.765SS**PPolyproline II helixtrans-63.6134.8174.7-82.3149.1000112.4
160L27.5Very low32.3Very low154 Ų154140.3 Ų140.381%0.80674%0.742SS**PPolyproline II helixtrans-65149.6179.2-76.294.6000113.1D162L160-D162 PolarHBondContact O-N 3.27Å
161I34.8Very low32.9Very low121 Ų121133 Ų13362%0.62171%0.712SS**PPolyproline II helixtrans-64.2124.2170.5-60.9170.1000109.4F163I161-F163 HydrophobicContact CB-CD2 4.46Å; I161-F163 HydrophobicContact CB-CE2 3.88Å; I161-F163 HydrophobicContact CB-CZ 4.19Å; I161-F163 HydrophobicContact CG2-CD1 4.32Å; I161-F163 HydrophobicContact CG2-CD2 4.06Å; I161-F163 HydrophobicContact CG2-CE1 3.92Å; I161-F163 HydrophobicContact CG2-CE2 3.6Å; I161-F163 HydrophobicContact CG2-CG 4.41Å; I161-F163 HydrophobicContact CG2-CZ 3.54Å
162D31Very low33.6Very low135 Ų135128.2 Ų128.272%0.72268%0.681SS**PPolyproline II helixtrans-79.4116.2172.5-171.2-5.9000110L160 N164L160-D162 PolarHBondContact O-N 3.27Å; D162-N164 WeakPolarHBondContact OD1-CB 3.41Å; D162-N164 PolarHBondContact OD1-N 3Å
163F40.3Very low33.9Very low77 Ų77124.6 Ų124.634%0.33866%0.655SS.*  trans-103.716176.2-71.1-72.6000112.4I161 I165 H170I161-F163 HydrophobicContact CB-CD2 4.46Å; I161-F163 HydrophobicContact CB-CE2 3.88Å; I161-F163 HydrophobicContact CB-CZ 4.19Å; I161-F163 HydrophobicContact CG2-CD1 4.32Å; I161-F163 HydrophobicContact CG2-CD2 4.06Å; I161-F163 HydrophobicContact CG2-CE1 3.92Å; I161-F163 HydrophobicContact CG2-CE2 3.6Å; I161-F163 HydrophobicContact CG2-CG 4.41Å; I161-F163 HydrophobicContact CG2-CZ 3.54Å; F163-I165 PolarHBondContact O-N 2.93Å; F163-H170 HydrophobicContact CD1-CB 3.94Å; F163-H170 AromaticContact CD1-CD2 3.38Å; F163-H170 WeakPolarHBondContact CD1-CD2 3.48Å; F163-H170 AromaticContact CD1-CG 3.69Å; F163-H170 HydrophobicContact CE1-CB 4.02Å
164N30.6Very low34.5Very low123 Ų123121.4 Ų121.466%0.65863%0.631SS**  trans-87.247.8-171.9-139.727.5000113.3D162D162-N164 WeakPolarHBondContact OD1-CB 3.41Å; D162-N164 PolarHBondContact OD1-N 3Å
165I29Very low34.5Very low141 Ų141118.2 Ų118.272%0.72361%0.607SS**SBendtrans-101.399.6155.7-56.3-179.9000106.8F163 D167F163-I165 PolarHBondContact O-N 2.93Å; I165-D167 PolarHBondContact O-N 2.97Å
166D45Very low35Very low137 Ų137124.3 Ų124.373%0.73361%0.614SS**THydrogen-bonded Turntrans-63.917.3-152.1-121.6-16.8000118.6
167D39.2Very low35.4Very low163 Ų163125.4 Ų125.487%0.87261%0.611SS**THydrogen-bonded Turntrans-1473-179.6-96-35.4000116.3I165I165-D167 PolarHBondContact O-N 2.97Å
168Q34Very low35.8Very low141 Ų141123.1 Ų123.166%0.65960%0.601SS**  trans-106.9110.3174.7-65.6-166.77.400110.5H170Q168-H170 VanDerWaalsContact C-N 3.31Å; Q168-H170 PolarHBondContact O-CD2 3.23Å; Q168-H170 PolarHBondContact O-N 3.47Å
169K42.6Very low36.3Very low207 Ų207123.1 Ų123.190%0.960%0.6SS**  trans-59.495.2168.1-68.3179.7-179.6178.10108.5S171K169-S171 PolarHBondContact O-N 3.41Å
170H40.8Very low36.2Very low77 Ų77117.3 Ų117.336%0.35658%0.575SS.*  trans-68129.1173.2-62.9-62.9000109.2F163 Q168 I184F163-H170 HydrophobicContact CD1-CB 3.94Å; F163-H170 AromaticContact CD1-CD2 3.38Å; F163-H170 WeakPolarHBondContact CD1-CD2 3.48Å; F163-H170 AromaticContact CD1-CG 3.69Å; F163-H170 HydrophobicContact CE1-CB 4.02Å; Q168-H170 VanDerWaalsContact C-N 3.31Å; Q168-H170 PolarHBondContact O-CD2 3.23Å; Q168-H170 PolarHBondContact O-N 3.47Å; H170-I184 CarbonylContact C-O 3.54Å; H170-I184 WeakPolarHBondContact CA-O 3.2Å
171S41.4Very low36.5Very low37 Ų37113 Ų11326%0.25955%0.554SS.*  trans-124.2120.5178.162.70000109.3K169 I184K169-S171 PolarHBondContact O-N 3.41Å; S171-I184 PolarHBondContact N-O 3.11Å; S171-I184 PolarHBondContact O-N 3.34Å
172M40.8Very low36.3Very low40 Ų40112 Ų11220%0.19755%0.55CS.*EExtended strand (participates in β ladder)trans-95123.4177.1-168.6174.466.600109.3I118 F120 V174 V181 L183I118-M172 HydrophobicContact CD1-CE 4.11Å; I118-M172 HydrophobicContact CD1-SD 4.06Å; I118-M172 HydrophobicContact CG2-CE 4.36Å; F120-M172 HydrophobicContact CD2-CE 4.3Å; F120-M172 HydrophobicContact CE2-CE 3.46Å; F120-M172 VanDerWaalsContact CE2-CE 3.46Å; F120-M172 HydrophobicContact CZ-CE 4.13Å; M172-V174 HydrophobicContact CE-CG2 4.2Å; M172-V174 HydrophobicContact CG-CG2 4.47Å; M172-V181 HydrophobicContact CG-CG1 3.51Å; M172-V181 HydrophobicContact SD-CG1 3.55Å; M172-V181 VanDerWaalsContact SD-CG1 3.55Å; M172-L183 HydrophobicContact CG-CD2 4.49Å
173S36.3Very low36.4Very low19 Ų19111.1 Ų111.113%0.13355%0.545CS..EExtended strand (participates in β ladder)trans-108.8128.9169.279.30000109.8L182S173-L182 PolarHBondContact N-O 3.19Å; S173-L182 VanDerWaalsContact N-O 3.11Å; S173-L182 PolarHBondContact O-N 3.06Å
174V39.8Very low35.9Very low52 Ų52113.5 Ų113.532%0.31556%0.56SS.*EExtended strand (participates in β ladder)trans-108.9110178.8-179.20000107.9M172M172-V174 HydrophobicContact CE-CG2 4.2Å; M172-V174 HydrophobicContact CG-CG2 4.47Å
175H30.5Very low36.2Very low68 Ų68113.1 Ų113.132%0.31556%0.555SS.*EExtended strand (participates in β ladder)trans-82.3123.5170.6-137.9-86.9000108.1S138 S180S138-H175 PolarHBondContact OG-CD2 3.32Å; H175-S180 PolarHBondContact N-O 3.44Å
176R39.6Very low36.6Very low228 Ų228111.6 Ų111.686%0.8655%0.546SS*.THydrogen-bonded Turntrans-79.1-21-179.8-77.7-172.1176.7-172.2-2.9113.9
177K40.8Very low36.1Very low191 Ų191110.2 Ų110.283%0.8354%0.535SS*.THydrogen-bonded Turntrans-84.3-28.5-175.3-77.2-172.6175.7-179.10113.7
178E33.3Very low35.9Very low138 Ų138107.1 Ų107.165%0.64552%0.516SS*.THydrogen-bonded Turntrans-126.4121.8176.4-68.3174.6-176.900103.2S180E178-S180 PolarHBondContact O-N 3.31Å; E178-S180 PolarHBondContact O-OG 3.12Å
179H34.7Very low36.1Very low159 Ų159104.9 Ų104.974%0.73651%0.507SS*.THydrogen-bonded Turntrans-67.563.8-176.7-65.1-79.1000111.1
180S28Very low35.6Very low56 Ų5698.1 Ų98.139%0.39248%0.48SS..EExtended strand (participates in β ladder)trans-127.2119.9-176.5570000108.4H175 E178H175-S180 PolarHBondContact N-O 3.44Å; E178-S180 PolarHBondContact O-N 3.31Å; E178-S180 PolarHBondContact O-OG 3.12Å
181V33.7Very low35.3Very low62 Ų6299.6 Ų99.638%0.37649%0.489SS..EExtended strand (participates in β ladder)trans-90.2115.4166.4-179.90000106.1M172 L183M172-V181 HydrophobicContact CG-CG1 3.51Å; M172-V181 HydrophobicContact SD-CG1 3.55Å; M172-V181 VanDerWaalsContact SD-CG1 3.55Å; V181-L183 HydrophobicContact CG1-CG 4.48Å
182L31.9Very low34.8Very low102 Ų102104.5 Ų104.553%0.53451%0.507SS..EExtended strand (participates in β ladder)trans-94.2113.2171.5-165.879000107.8S173 I184S173-L182 PolarHBondContact N-O 3.19Å; S173-L182 VanDerWaalsContact N-O 3.11Å; S173-L182 PolarHBondContact O-N 3.06Å; L182-I184 HydrophobicContact CD2-CD1 4.06Å; L182-I184 HydrophobicContact CD2-CG1 4.04Å; L182-I184 HydrophobicContact CG-CG1 4.31Å
183L33.1Very low34.3Very low116 Ų116109.8 Ų109.861%0.60753%0.533SS*.EExtended strand (participates in β ladder)trans-85.4116.9170.2-67.7158.6000107.6M172 V181M172-L183 HydrophobicContact CG-CD2 4.49Å; V181-L183 HydrophobicContact CG1-CG 4.48Å
184I29.9Very low34.1Very low127 Ų127118.1 Ų118.165%0.65157%0.569SS**  trans-112.30167.1-52.4176.9000107.8H170 S171 L182H170-I184 CarbonylContact C-O 3.54Å; H170-I184 WeakPolarHBondContact CA-O 3.2Å; S171-I184 PolarHBondContact N-O 3.11Å; S171-I184 PolarHBondContact O-N 3.34Å; L182-I184 HydrophobicContact CD2-CD1 4.06Å; L182-I184 HydrophobicContact CD2-CG1 4.04Å; L182-I184 HydrophobicContact CG-CG1 4.31Å

Retrieved 184 of 184 residues in 63.3 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).