A0A077YYZ0_TRITR Loading...

MMR HSR1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 aa.

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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
1M34.9Very low42.1Very low202 Ų202130.4 Ų130.4100%0.99568%0.68SS**  0-38.40-79.9-172.8-176.100110.7A3 L4M1-A3 VanDerWaalsContact C-N 3.27Å; M1-A3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 3.15Å
2D34Very low43.1Very low139 Ų139125.2 Ų125.274%0.74365%0.65SS**THydrogen-bonded Turntrans-66.4-16.4-178.9-54.2-39.5000116.4
3A37.2Very low44.1Very low102 Ų102127.2 Ų127.284%0.84366%0.655SS**THydrogen-bonded Turntrans-83.8-6.4176.400000114.5M1M1-A3 VanDerWaalsContact C-N 3.27Å; M1-A3 PolarHBondContact O-N 3.25Å
4L42.1Very low45.8Very low106 Ų106121.1 Ų121.156%0.55564%0.638SS**SBendtrans-95.6-11.2179.7-94.2142.8000113.4M1M1-L4 PolarHBondContact O-N 3.15Å
5L41.9Very low46.8Very low100 Ų100113.9 Ų113.952%0.52460%0.6SS.*SBendtrans-103.47-169.9-76.1157.3000114.6G7L5-G7 VanDerWaalsContact C-N 3.3Å; L5-G7 PolarHBondContact O-N 3.41Å
6M37Very low47.7Very low181 Ų181107.8 Ų107.889%0.89257%0.571SS**  trans-94.628.3178.8-68.8-73.6-128.900112.8
7G43.4Very low49Very low39 Ų39108.7 Ų108.740%0.40257%0.571SS.*SBendtrans-84.4142.3175.800000112.2L5 K9L5-G7 VanDerWaalsContact C-N 3.3Å; L5-G7 PolarHBondContact O-N 3.41Å; G7-K9 PolarHBondContact O-N 2.89Å; G7-K9 VanDerWaalsContact O-N 3.08Å
8D45.7Very low50.1Low101 Ų101107.3 Ų107.354%0.5456%0.56SS.*  trans-57.3110.1175.3-173.43.1000110.3R10 N11D8-R10 PolarHBondContact O-N 2.83Å; D8-N11 HydrophobicContact CB-CB 4.47Å; D8-N11 VanDerWaalsContact O-CB 3.32Å; D8-N11 WeakPolarHBondContact O-CB 3.31Å; D8-N11 PolarHBondContact O-N 2.9Å
9K47.3Very low50.8Low169 Ų169101.8 Ų101.874%0.73553%0.532SS*.Hα-helixtrans-52.3-27.6-177-73-171.8173.5-172.30113.6G7 N11 E12G7-K9 PolarHBondContact O-N 2.89Å; G7-K9 VanDerWaalsContact O-N 3.08Å; K9-N11 VanDerWaalsContact C-N 3.26Å; K9-N11 PolarHBondContact O-N 3.48Å; K9-E12 PolarHBondContact O-N 3.05Å
10R44.6Very low51.8Low205 Ų205101.5 Ų101.577%0.77452%0.524SS*.Hα-helixtrans-67.1-25.8175.4-80.7-176.6-86.6-166.9-10113.6D8D8-R10 PolarHBondContact O-N 2.83Å
11N55.5Low53Low90 Ų90101.8 Ų101.848%0.48152%0.523SS..Hα-helixtrans-83-25.6178.1-144.86.5000111.2D8 K9 I15 Q69D8-N11 HydrophobicContact CB-CB 4.47Å; D8-N11 VanDerWaalsContact O-CB 3.32Å; D8-N11 WeakPolarHBondContact O-CB 3.31Å; D8-N11 PolarHBondContact O-N 2.9Å; K9-N11 VanDerWaalsContact C-N 3.26Å; K9-N11 PolarHBondContact O-N 3.48Å; N11-I15 WeakPolarHBondContact O-CD1 3.32Å; N11-I15 WeakPolarHBondContact O-CG1 3.5Å; N11-I15 PolarHBondContact O-N 3.1Å; N11-Q69 PolarHBondContact ND2-NE2 3.04Å
12E53.8Low54.5Low68 Ų6892.9 Ų92.932%0.31848%0.479SS..Hα-helixtrans-70.3-43.8179.3-65.5-17816500112.2K9 G14 I15 A16 F335K9-E12 PolarHBondContact O-N 3.05Å; E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.11Å; E12-I15 PolarHBondContact O-N 2.99Å; E12-A16 PolarHBondContact O-N 2.99Å; E12-F335 HydrophobicContact CB-CE2 4.25Å; E12-F335 HydrophobicContact CB-CZ 4.28Å; E12-F335 VanDerWaalsContact O-CE2 3.25Å; E12-F335 WeakPolarHBondContact O-CE2 2.86Å; E12-F335 WeakPolarHBondContact O-CZ 3.46Å
13E56.3Low56.2Low152 Ų15287.6 Ų87.671%0.7145%0.451SS*.Hα-helixtrans-59.5-43177.3-73.6-179.1161.500112.3I15 A16 E17E13-I15 VanDerWaalsContact C-N 3.3Å; E13-I15 PolarHBondContact O-N 3.49Å; E13-A16 WeakPolarHBondContact O-CB 3.33Å; E13-A16 PolarHBondContact O-N 2.97Å; E13-E17 PolarHBondContact O-N 2.82Å; E13-E17 VanDerWaalsContact O-N 3.13Å
14G67.6Low57.9Low41 Ų4191.6 Ų91.642%0.42344%0.444SS..Hα-helixtrans-66-30177.700000113.8E12 K18E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.11Å; G14-K18 VanDerWaalsContact O-CB 3.31Å; G14-K18 WeakPolarHBondContact O-CB 3.38Å; G14-K18 PolarHBondContact O-N 3Å
15I60.7Low59.3Low13 Ų1391.7 Ų91.77%0.06744%0.441CS..Hα-helixtrans-72.9-40.1175.3-64.5157.2000110.7N11 E12 E13 K18 A19 V66 Q69 F335N11-I15 WeakPolarHBondContact O-CD1 3.32Å; N11-I15 WeakPolarHBondContact O-CG1 3.5Å; N11-I15 PolarHBondContact O-N 3.1Å; E12-I15 PolarHBondContact O-N 2.99Å; E13-I15 VanDerWaalsContact C-N 3.3Å; E13-I15 PolarHBondContact O-N 3.49Å; I15-K18 PolarHBondContact O-N 3.45Å; I15-A19 WeakPolarHBondContact O-CB 3.39Å; I15-A19 PolarHBondContact O-N 3.17Å; I15-V66 HydrophobicContact CG2-CB 4.42Å; I15-V66 HydrophobicContact CG2-CG1 3.43Å; I15-V66 VanDerWaalsContact CG2-CG1 3.43Å; I15-V66 HydrophobicContact CG2-CG2 4.2Å; I15-Q69 HydrophobicContact CD1-CG 4.1Å; I15-F335 HydrophobicContact CB-CE2 4.2Å; I15-F335 HydrophobicContact CG2-CD2 4.07Å; I15-F335 HydrophobicContact CG2-CE2 4.22Å
16A61Low60.4Low16 Ų1687.1 Ų87.113%0.13242%0.418CS..Hα-helixtrans-57.1-55.1177.600000110.7E12 E13 K18 A19 Y20 F335E12-A16 PolarHBondContact O-N 2.99Å; E13-A16 WeakPolarHBondContact O-CB 3.33Å; E13-A16 PolarHBondContact O-N 2.97Å; A16-K18 VanDerWaalsContact C-N 3.31Å; A16-K18 PolarHBondContact O-N 3.2Å; A16-A19 PolarHBondContact O-N 3.43Å; A16-A19 VanDerWaalsContact O-N 3.11Å; A16-Y20 WeakPolarHBondContact O-CD2 3.3Å; A16-Y20 PolarHBondContact O-N 2.81Å; A16-F335 HydrophobicContact CB-CD1 3.75Å; A16-F335 HydrophobicContact CB-CE1 3.05Å; A16-F335 HydrophobicContact CB-CE2 4.25Å; A16-F335 HydrophobicContact CB-CZ 3.37Å
17E69.6Low62Low124 Ų12482 Ų8258%0.57939%0.391SS*.Hα-helixtrans-57.6-48.4-178.1-171.4168.1-15400110E13 A19 Y20 E21E13-E17 PolarHBondContact O-N 2.82Å; E13-E17 VanDerWaalsContact O-N 3.13Å; E17-A19 PolarHBondContact O-N 3.26Å; E17-Y20 PolarHBondContact O-N 2.7Å; E17-E21 WeakPolarHBondContact O-CG 3.46Å; E17-E21 PolarHBondContact O-N 2.81Å
18K68.7Low63.2Low84 Ų8486.4 Ų86.437%0.36540%0.397SS..Hα-helixtrans-58.7-44.2175.5-167.4170.9-177.3178.50112.3G14 I15 A16 Y20 E21 L22 A61G14-K18 VanDerWaalsContact O-CB 3.31Å; G14-K18 WeakPolarHBondContact O-CB 3.38Å; G14-K18 PolarHBondContact O-N 3Å; I15-K18 PolarHBondContact O-N 3.45Å; A16-K18 VanDerWaalsContact C-N 3.31Å; A16-K18 PolarHBondContact O-N 3.2Å; K18-Y20 PolarHBondContact O-N 3.44Å; K18-E21 PolarHBondContact O-N 3.14Å; K18-L22 HydrophobicContact CG-CD1 4.19Å; K18-L22 WeakPolarHBondContact O-CB 3.44Å; K18-L22 WeakPolarHBondContact O-CD1 3.21Å; K18-L22 WeakPolarHBondContact O-CG 3.34Å; K18-L22 PolarHBondContact O-N 2.95Å; K18-A61 PolarHBondContact NZ-O 3.48Å
19A64.2Low64.1Low3 Ų383.1 Ų83.13%0.02538%0.384CS..Hα-helixtrans-63.1-40.8179.300000112.5I15 A16 E17 L23 V331 C332I15-A19 WeakPolarHBondContact O-CB 3.39Å; I15-A19 PolarHBondContact O-N 3.17Å; A16-A19 PolarHBondContact O-N 3.43Å; A16-A19 VanDerWaalsContact O-N 3.11Å; E17-A19 PolarHBondContact O-N 3.26Å; A19-L23 PolarHBondContact O-N 2.89Å; A19-L23 VanDerWaalsContact O-N 3.11Å; A19-V331 HydrophobicContact CB-CG1 3.97Å; A19-C332 VanDerWaalsContact C-SG 3.59Å; A19-C332 PolarHBondContact O-SG 3.46Å; A19-C332 VanDerWaalsContact O-SG 3.33Å
20Y71.4Confident64.9Low95 Ų9580.3 Ų80.337%0.37337%0.369SS..Hα-helixtrans-70.1-40.5176.4-76.9-70.1000113.1A16 E17 K18 L22 L23 R24 Q336A16-Y20 WeakPolarHBondContact O-CD2 3.3Å; A16-Y20 PolarHBondContact O-N 2.81Å; E17-Y20 PolarHBondContact O-N 2.7Å; K18-Y20 PolarHBondContact O-N 3.44Å; Y20-L22 VanDerWaalsContact C-N 3.3Å; Y20-L22 PolarHBondContact O-N 3.4Å; Y20-L23 PolarHBondContact O-N 3.32Å; Y20-R24 WeakPolarHBondContact O-CG 3.38Å; Y20-R24 PolarHBondContact O-N 3.24Å; Y20-Q336 WeakPolarHBondContact OH-CG 3.36Å; Y20-Q336 PolarHBondContact OH-NE2 3.03Å
21E75.2Confident66Low107 Ų10777.8 Ų77.850%0.537%0.366SS..Hα-helixtrans-57-46.6173.6-76-178.2158.300110.8E17 K18 L23 R24 E25E17-E21 WeakPolarHBondContact O-CG 3.46Å; E17-E21 PolarHBondContact O-N 2.81Å; K18-E21 PolarHBondContact O-N 3.14Å; E21-L23 PolarHBondContact O-N 3.5Å; E21-R24 WeakPolarHBondContact O-CB 3.42Å; E21-R24 PolarHBondContact O-N 2.68Å; E21-R24 VanDerWaalsContact O-N 3.12Å; E21-E25 WeakPolarHBondContact O-CG 3.45Å; E21-E25 PolarHBondContact O-N 3.39Å
22L67.7Low66.3Low15 Ų1580.3 Ų80.38%0.07937%0.372CS..Hα-helixtrans-61.1-43.7177.9-67.3169.6000112.6K18 Y20 R24 E25 F26 A62K18-L22 HydrophobicContact CG-CD1 4.19Å; K18-L22 WeakPolarHBondContact O-CB 3.44Å; K18-L22 WeakPolarHBondContact O-CD1 3.21Å; K18-L22 WeakPolarHBondContact O-CG 3.34Å; K18-L22 PolarHBondContact O-N 2.95Å; Y20-L22 VanDerWaalsContact C-N 3.3Å; Y20-L22 PolarHBondContact O-N 3.4Å; L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.11Å; L22-E25 PolarHBondContact O-N 2.8Å; L22-F26 WeakPolarHBondContact O-CD2 2.91Å; L22-F26 PolarHBondContact O-N 3.42Å; L22-A62 VanDerWaalsContact CD1-C 3.42Å; L22-A62 HydrophobicContact CD1-CB 3.48Å; L22-A62 VanDerWaalsContact CD1-CB 3.48Å; L22-A62 VanDerWaalsContact CD1-O 3.25Å; L22-A62 WeakPolarHBondContact CD1-O 3.03Å; L22-A62 HydrophobicContact CD2-CB 3.11Å; L22-A62 HydrophobicContact CG-CB 3.81Å
23L69.3Low66.5Low29 Ų2980 Ų8015%0.15237%0.372CS..Hα-helixtrans-60-40.5176.4-171.867.8000111.3A19 Y20 E21 F26 Q27 A328A19-L23 PolarHBondContact O-N 2.89Å; A19-L23 VanDerWaalsContact O-N 3.11Å; Y20-L23 PolarHBondContact O-N 3.32Å; E21-L23 PolarHBondContact O-N 3.5Å; L23-F26 PolarHBondContact O-N 2.65Å; L23-Q27 WeakPolarHBondContact O-CB 3.27Å; L23-Q27 VanDerWaalsContact O-CG 3.24Å; L23-Q27 WeakPolarHBondContact O-CG 3.19Å; L23-Q27 PolarHBondContact O-N 3.06Å; L23-A328 HydrophobicContact CD1-CB 4.39Å
24R73.2Confident66.2Low186 Ų18676.6 Ų76.670%0.70236%0.359SS*.Hα-helixtrans-65.2-43.6175.4-69.5-179.6-171.6-162.44.8111.9Y20 E21 L22 F26 Q27 Y28Y20-R24 WeakPolarHBondContact O-CG 3.38Å; Y20-R24 PolarHBondContact O-N 3.24Å; E21-R24 WeakPolarHBondContact O-CB 3.42Å; E21-R24 PolarHBondContact O-N 2.68Å; E21-R24 VanDerWaalsContact O-N 3.12Å; L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.11Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 2.73Å; R24-Q27 PolarHBondContact O-N 3.09Å; R24-Y28 WeakPolarHBondContact O-CB 3.37Å; R24-Y28 PolarHBondContact O-N 3.33Å
25E70.5Confident65.4Low107 Ų10779.6 Ų79.650%0.537%0.371SS..Hα-helixtrans-60.7-41.7176.9-72.8-171.1168.100111.9E21 L22 Y28 A29 H58E21-E25 WeakPolarHBondContact O-CG 3.45Å; E21-E25 PolarHBondContact O-N 3.39Å; L22-E25 PolarHBondContact O-N 2.8Å; E25-Y28 PolarHBondContact O-N 3.06Å; E25-A29 WeakPolarHBondContact O-CB 3.34Å; E25-A29 PolarHBondContact O-N 3.5Å; E25-H58 IonicContact OE2-CE1 3.67Å; E25-H58 PolarHBondContact OE2-CE1 2.98Å; E25-H58 VanDerWaalsContact OE2-CE1 3.23Å
26F66.7Low64.9Low5 Ų586.4 Ų86.42%0.02240%0.402CS..Hα-helixtrans-66.8-41.5176-80.1-61.4000113.2L22 L23 R24 Y28 A29 R30 H58 I63 L321 L324 A328L22-F26 WeakPolarHBondContact O-CD2 2.91Å; L22-F26 PolarHBondContact O-N 3.42Å; L23-F26 PolarHBondContact O-N 2.65Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 2.73Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; F26-A29 PolarHBondContact O-N 3.43Å; F26-R30 WeakPolarHBondContact O-CB 3.47Å; F26-R30 PolarHBondContact O-N 3.07Å; F26-H58 AromaticContact CE1-CD2 3.73Å; F26-H58 AromaticContact CE1-NE2 3.99Å; F26-H58 AromaticContact CE2-CD2 3.67Å; F26-H58 AromaticContact CE2-NE2 3.37Å; F26-H58 WeakPolarHBondContact CE2-NE2 3.37Å; F26-H58 AromaticContact CZ-CD2 3.11Å; F26-H58 WeakPolarHBondContact CZ-CD2 3.43Å; F26-H58 AromaticContact CZ-NE2 3.33Å; F26-H58 VanDerWaalsContact CZ-NE2 3.33Å; F26-H58 WeakPolarHBondContact CZ-NE2 3.37Å; F26-I63 HydrophobicContact CE2-CD1 3.51Å; F26-I63 HydrophobicContact CE2-CG1 4.11Å; F26-I63 HydrophobicContact CZ-CD1 3.61Å; F26-L321 HydrophobicContact CD1-CD1 3.59Å; F26-L321 HydrophobicContact CE1-CD1 3.98Å; F26-L324 HydrophobicContact CD1-CB 4.46Å; F26-L324 HydrophobicContact CE1-CB 3.63Å; F26-L324 HydrophobicContact CE1-CD1 3.94Å; F26-L324 HydrophobicContact CE1-CG 4.45Å; F26-L324 HydrophobicContact CE2-CB 4.41Å; F26-L324 HydrophobicContact CZ-CB 3.57Å; F26-L324 HydrophobicContact CZ-CD1 4.01Å; F26-L324 HydrophobicContact CZ-CG 4.39Å; F26-A328 HydrophobicContact CD2-CB 4.11Å; F26-A328 HydrophobicContact CE2-CB 4.23Å
27Q69.7Low64.1Low73 Ų7392.6 Ų92.634%0.34143%0.426SS..Hα-helixtrans-61.8-44.8175.8-74.3171.6-13.600110.8L23 R24 R30 E31L23-Q27 WeakPolarHBondContact O-CB 3.27Å; L23-Q27 VanDerWaalsContact O-CG 3.24Å; L23-Q27 WeakPolarHBondContact O-CG 3.19Å; L23-Q27 PolarHBondContact O-N 3.06Å; R24-Q27 PolarHBondContact O-N 3.09Å; Q27-R30 WeakPolarHBondContact O-CB 3.37Å; Q27-R30 PolarHBondContact O-N 2.92Å; Q27-E31 WeakPolarHBondContact O-CG 3.34Å; Q27-E31 PolarHBondContact O-N 3.29Å
28Y69.2Low63.1Low131 Ų13187.9 Ų87.951%0.51440%0.404SS..Hα-helixtrans-62.7-45.1175.7-178.2-101000112.9R24 E25 F26 R30 E31 K32R24-Y28 WeakPolarHBondContact O-CB 3.37Å; R24-Y28 PolarHBondContact O-N 3.33Å; E25-Y28 PolarHBondContact O-N 3.06Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-R30 VanDerWaalsContact C-N 3.28Å; Y28-R30 PolarHBondContact O-N 3.08Å; Y28-E31 PolarHBondContact O-N 2.82Å; Y28-K32 HydrophobicContact CD1-CD 4.38Å; Y28-K32 HydrophobicContact CE1-CD 3.67Å; Y28-K32 HydrophobicContact CE1-CG 4.46Å; Y28-K32 HydrophobicContact CE2-CD 4.38Å; Y28-K32 PolarHBondContact O-N 3.19Å; Y28-K32 VanDerWaalsContact O-N 3.13Å; Y28-K32 WeakPolarHBondContact OH-CE 3.48Å; Y28-K32 PolarHBondContact OH-NZ 3.44Å
29A64.4Low62Low32 Ų3289.9 Ų89.926%0.26442%0.418SS..Hα-helixtrans-60.6-40.4176.300000111.3E25 F26 K32 L33E25-A29 WeakPolarHBondContact O-CB 3.34Å; E25-A29 PolarHBondContact O-N 3.5Å; F26-A29 PolarHBondContact O-N 3.43Å; A29-K32 PolarHBondContact O-N 3.28Å; A29-L33 HydrophobicContact CB-CD1 4.42Å; A29-L33 VanDerWaalsContact O-CB 3.29Å; A29-L33 WeakPolarHBondContact O-CB 3.45Å; A29-L33 WeakPolarHBondContact O-CD1 3.41Å; A29-L33 VanDerWaalsContact O-CG 3.23Å; A29-L33 WeakPolarHBondContact O-CG 3.32Å; A29-L33 PolarHBondContact O-N 3Å
30R64.4Low61.3Low111 Ų11193.8 Ų93.842%0.41944%0.442SS..Hα-helixtrans-63.6-38.9176.8-170.7-177.970.9-172.92.9112.5F26 Q27 Y28 K32 L321 E325F26-R30 WeakPolarHBondContact O-CB 3.47Å; F26-R30 PolarHBondContact O-N 3.07Å; Q27-R30 WeakPolarHBondContact O-CB 3.37Å; Q27-R30 PolarHBondContact O-N 2.92Å; Y28-R30 VanDerWaalsContact C-N 3.28Å; Y28-R30 PolarHBondContact O-N 3.08Å; R30-K32 VanDerWaalsContact C-N 3.33Å; R30-L321 HydrophobicContact CB-CD2 4.37Å; R30-E325 IonicContact CZ-OE1 2.91Å; R30-E325 IonicContact CZ-OE2 3.86Å; R30-E325 IonicContact NH1-OE1 2.7Å; R30-E325 PolarHBondContact NH1-OE1 3.02Å; R30-E325 IonicContact NH1-OE2 3.48Å; R30-E325 PolarHBondContact NH1-OE2 3.44Å
31E65.8Low60.2Low152 Ų15292.8 Ų92.871%0.7145%0.449SS*.Hα-helixtrans-68.3-32.8177.3-73.6173.8-17600112.6Q27 Y28Q27-E31 WeakPolarHBondContact O-CG 3.34Å; Q27-E31 PolarHBondContact O-N 3.29Å; Y28-E31 PolarHBondContact O-N 2.82Å
32K61.6Low58.9Low143 Ų14394.2 Ų94.262%0.62247%0.465SS*.Hα-helixtrans-86.5-24.1179.5-74.1-162.7162.7-171.80114.7Y28 A29 R30 D34Y28-K32 HydrophobicContact CD1-CD 4.38Å; Y28-K32 HydrophobicContact CE1-CD 3.67Å; Y28-K32 HydrophobicContact CE1-CG 4.46Å; Y28-K32 HydrophobicContact CE2-CD 4.38Å; Y28-K32 PolarHBondContact O-N 3.19Å; Y28-K32 VanDerWaalsContact O-N 3.13Å; Y28-K32 WeakPolarHBondContact OH-CE 3.48Å; Y28-K32 PolarHBondContact OH-NZ 3.44Å; A29-K32 PolarHBondContact O-N 3.28Å; R30-K32 VanDerWaalsContact C-N 3.33Å; K32-D34 PolarHBondContact O-N 3.19Å
33L58.2Low57.8Low60 Ų6096.4 Ų96.431%0.31449%0.485SS..SBendtrans-84.591.4177-73.4162.9000109A29 L321A29-L33 HydrophobicContact CB-CD1 4.42Å; A29-L33 VanDerWaalsContact O-CB 3.29Å; A29-L33 WeakPolarHBondContact O-CB 3.45Å; A29-L33 WeakPolarHBondContact O-CD1 3.41Å; A29-L33 VanDerWaalsContact O-CG 3.23Å; A29-L33 WeakPolarHBondContact O-CG 3.32Å; A29-L33 PolarHBondContact O-N 3Å; L33-L321 HydrophobicContact CD1-CD2 3.71Å
34D50.5Low56.8Low82 Ų8296.5 Ų96.544%0.43949%0.487SS..  trans-54128.6169.8-176.5-8.2000109.6K32 H36 F37K32-D34 PolarHBondContact O-N 3.19Å; D34-H36 PolarHBondContact O-N 3.23Å; D34-H36 IonicContact OD1-CD2 3.71Å; D34-H36 PolarHBondContact OD1-CD2 2.98Å; D34-H36 IonicContact OD1-CG 3.88Å; D34-H36 PolarHBondContact OD1-N 2.96Å; D34-F37 VanDerWaalsContact O-CB 3.3Å; D34-F37 WeakPolarHBondContact O-CB 3.45Å; D34-F37 PolarHBondContact O-N 2.9Å
35P51.8Low55.9Low103 Ų10396.7 Ų96.767%0.66949%0.488SS*.G310 helixtrans-53.9-20.2172.719.2-31.3000113.9
36H50.1Low55.2Low156 Ų15698 Ų9872%0.72249%0.494SS*.G310 helixtrans-85.9-3.4175.2-66.5-70.7000115.5D34 F38D34-H36 PolarHBondContact O-N 3.23Å; D34-H36 IonicContact OD1-CD2 3.71Å; D34-H36 PolarHBondContact OD1-CD2 2.98Å; D34-H36 IonicContact OD1-CG 3.88Å; D34-H36 PolarHBondContact OD1-N 2.96Å; H36-F38 PolarHBondContact O-N 3.35Å
37F44.3Very low54.8Low146 Ų146100.3 Ų100.364%0.6451%0.511SS*.G310 helixtrans-65.6-7.9178.6-161.3-97.5000113.8D34D34-F37 VanDerWaalsContact O-CB 3.3Å; D34-F37 WeakPolarHBondContact O-CB 3.45Å; D34-F37 PolarHBondContact O-N 2.9Å
38F49Very low54.5Low26 Ų2699.1 Ų99.111%0.11450%0.503CS..G310 helixtrans-103.338.5-171.3-61.4-77.2000114.7H36 I51 A317H36-F38 PolarHBondContact O-N 3.35Å; F38-I51 HydrophobicContact CE1-CD1 3.82Å; F38-A317 HydrophobicContact CD1-CB 4.32Å; F38-A317 HydrophobicContact CE1-CB 3.49Å; F38-A317 VanDerWaalsContact CE1-CB 3.49Å; F38-A317 HydrophobicContact CZ-CB 3.8Å
39D44.8Very low54.6Low125 Ų12597.2 Ų97.267%0.66850%0.502SS*.  trans-89.5125.8175.6-140.8-4.9000111.8V44D39-V44 WeakPolarHBondContact O-CG2 3.39Å
40V48.8Very low55.2Low86 Ų86103.9 Ų103.952%0.52152%0.52SS..  trans-101.5110.7-153.4-174.40000113.4V44 R314V40-V44 HydrophobicContact CB-CG1 4.5Å; V40-V44 HydrophobicContact CG1-CB 4.19Å; V40-V44 HydrophobicContact CG1-CG1 4.37Å; V40-V44 HydrophobicContact CG2-CG1 4.25Å; V40-R314 HydrophobicContact CG2-CG 4.15Å
41S48Very low56Low73 Ų73100.4 Ų100.451%0.5151%0.51SS..  trans-107.7170154.172.60000110.4A43 V44S41-A43 PolarHBondContact O-N 3.34Å; S41-A43 VanDerWaalsContact O-N 3.1Å; S41-V44 WeakPolarHBondContact O-CA 3.13Å; S41-V44 WeakPolarHBondContact O-CB 3.15Å; S41-V44 WeakPolarHBondContact O-CG2 3.48Å; S41-V44 PolarHBondContact O-N 3.3Å
42T48.6Very low56.8Low138 Ų13893.7 Ų93.785%0.84748%0.479SS*.Hα-helixtrans-56.4-27.6-177.97.40000114.5V44 R45T42-V44 PolarHBondContact O-N 3.27Å; T42-R45 PolarHBondContact O-N 3Å
43A45.1Very low57.8Low60 Ų6093.6 Ų93.650%0.49648%0.475SS..Hα-helixtrans-61.9-28.5171.200000112.5S41 R45 Q46 S47S41-A43 PolarHBondContact O-N 3.34Å; S41-A43 VanDerWaalsContact O-N 3.1Å; A43-R45 VanDerWaalsContact C-N 3.34Å; A43-R45 PolarHBondContact O-N 2.94Å; A43-Q46 PolarHBondContact O-N 2.69Å; A43-S47 PolarHBondContact O-N 3.01Å; A43-S47 PolarHBondContact O-OG 3.11Å
44V48.9Very low59.1Low32 Ų3294.7 Ų94.719%0.19449%0.485CS..Hα-helixtrans-73.5-22.2-177.2-176.70000112.1D39 V40 S41 T42 Q46 S47 Y48D39-V44 WeakPolarHBondContact O-CG2 3.39Å; V40-V44 HydrophobicContact CB-CG1 4.5Å; V40-V44 HydrophobicContact CG1-CB 4.19Å; V40-V44 HydrophobicContact CG1-CG1 4.37Å; V40-V44 HydrophobicContact CG2-CG1 4.25Å; S41-V44 WeakPolarHBondContact O-CA 3.13Å; S41-V44 WeakPolarHBondContact O-CB 3.15Å; S41-V44 WeakPolarHBondContact O-CG2 3.48Å; S41-V44 PolarHBondContact O-N 3.3Å; T42-V44 PolarHBondContact O-N 3.27Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 3.19Å; V44-S47 CarbonylContact O-C 3.57Å; V44-S47 PolarHBondContact O-N 3.14Å; V44-Y48 WeakPolarHBondContact O-CA 3.43Å; V44-Y48 WeakPolarHBondContact O-CB 3.37Å; V44-Y48 PolarHBondContact O-N 3.39Å
45R52.5Low60.9Low189 Ų18991.7 Ų91.771%0.71347%0.468SS*.Hα-helixtrans-66.6-36173-166.1171.1-176.3159.20111.6T42 A43 N49T42-R45 PolarHBondContact O-N 3Å; A43-R45 VanDerWaalsContact C-N 3.34Å; A43-R45 PolarHBondContact O-N 2.94Å; R45-N49 WeakPolarHBondContact O-CB 3.02Å; R45-N49 PolarHBondContact O-N 2.86Å; R45-N49 PolarHBondContact O-ND2 3.39Å
46Q56.7Low62.6Low136 Ų13687.1 Ų87.164%0.63644%0.438SS*.Hα-helixtrans-69.3-44172.8-66.4-177.5-5.300110.9A43 V44 N49 R50A43-Q46 PolarHBondContact O-N 2.69Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 3.19Å; Q46-N49 PolarHBondContact O-N 3.16Å; Q46-R50 VanDerWaalsContact O-CG 3.29Å; Q46-R50 WeakPolarHBondContact O-CG 3.49Å; Q46-R50 PolarHBondContact O-N 3.08Å
47S58.6Low64.3Low53 Ų5383.6 Ų83.637%0.37142%0.424SS..Hα-helixtrans-64.5-39.3175.8-57.50000113.1A43 V44 R50 I51A43-S47 PolarHBondContact O-N 3.01Å; A43-S47 PolarHBondContact O-OG 3.11Å; V44-S47 CarbonylContact O-C 3.57Å; V44-S47 PolarHBondContact O-N 3.14Å; S47-R50 CarbonylContact O-C 3.54Å; S47-R50 WeakPolarHBondContact O-CB 3.03Å; S47-R50 PolarHBondContact O-N 3.05Å; S47-I51 WeakPolarHBondContact O-CG1 3.46Å; S47-I51 PolarHBondContact O-N 3.21Å
48Y62.8Low66.3Low48 Ų4878.9 Ų78.919%0.18840%0.404CS..Hα-helixtrans-61.6-50.4175.3173.6-93.4000110.5V44 R50 I51 I52 C316 A317V44-Y48 WeakPolarHBondContact O-CA 3.43Å; V44-Y48 WeakPolarHBondContact O-CB 3.37Å; V44-Y48 PolarHBondContact O-N 3.39Å; Y48-R50 PolarHBondContact O-N 3.05Å; Y48-I51 PolarHBondContact O-N 3.35Å; Y48-I51 VanDerWaalsContact O-N 3.16Å; Y48-I52 HydrophobicContact CD1-CG1 4.21Å; Y48-I52 HydrophobicContact CD2-CG1 4.33Å; Y48-I52 HydrophobicContact CE1-CG1 3.8Å; Y48-I52 HydrophobicContact CE2-CD1 4.19Å; Y48-I52 HydrophobicContact CE2-CG1 3.94Å; Y48-I52 HydrophobicContact CG-CG1 4.45Å; Y48-I52 WeakPolarHBondContact O-CB 3.38Å; Y48-I52 WeakPolarHBondContact O-CG1 3.38Å; Y48-I52 PolarHBondContact O-N 3.37Å; Y48-C316 HydrophobicContact CE2-CB 4.24Å; Y48-C316 WeakPolarHBondContact OH-CB 3.29Å; Y48-C316 PolarHBondContact OH-SG 3.3Å; Y48-A317 HydrophobicContact CE2-CB 4.48Å
49N71.4Confident68.2Low90 Ų9077.7 Ų77.748%0.48140%0.399SS..Hα-helixtrans-59.7-37.1175.6-72.7-13.3000111R45 Q46 Y53R45-N49 WeakPolarHBondContact O-CB 3.02Å; R45-N49 PolarHBondContact O-N 2.86Å; R45-N49 PolarHBondContact O-ND2 3.39Å; Q46-N49 PolarHBondContact O-N 3.16Å; N49-Y53 WeakPolarHBondContact O-CB 3.23Å; N49-Y53 PolarHBondContact O-N 2.95Å
50R77.4Confident70.3Confident172 Ų17275.5 Ų75.565%0.64938%0.384SS*.Hα-helixtrans-63.9-48.6173.5-75172.8174.7-177.6-1.1112.1Q46 S47 Y48 Y53 T54Q46-R50 VanDerWaalsContact O-CG 3.29Å; Q46-R50 WeakPolarHBondContact O-CG 3.49Å; Q46-R50 PolarHBondContact O-N 3.08Å; S47-R50 CarbonylContact O-C 3.54Å; S47-R50 WeakPolarHBondContact O-CB 3.03Å; S47-R50 PolarHBondContact O-N 3.05Å; Y48-R50 PolarHBondContact O-N 3.05Å; R50-Y53 PolarHBondContact O-N 3.17Å; R50-T54 WeakPolarHBondContact O-CB 3.32Å; R50-T54 PolarHBondContact O-N 3.16Å; R50-T54 PolarHBondContact O-OG1 3Å
51I81.4Confident72.2Confident39 Ų3974.5 Ų74.520%0.238%0.384CS..Hα-helixtrans-61.8-50.5-179.9-67.4166.6000110.4F38 S47 Y48 Y53 T54 L55 A317F38-I51 HydrophobicContact CE1-CD1 3.82Å; S47-I51 WeakPolarHBondContact O-CG1 3.46Å; S47-I51 PolarHBondContact O-N 3.21Å; Y48-I51 PolarHBondContact O-N 3.35Å; Y48-I51 VanDerWaalsContact O-N 3.16Å; I51-Y53 VanDerWaalsContact C-N 3.29Å; I51-Y53 PolarHBondContact O-N 2.8Å; I51-T54 WeakPolarHBondContact O-CB 3.13Å; I51-T54 PolarHBondContact O-N 3.19Å; I51-T54 VanDerWaalsContact O-N 3.17Å; I51-L55 HydrophobicContact CG2-CD1 4.26Å; I51-L55 HydrophobicContact CG2-CG 4.47Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 2.92Å; I51-A317 HydrophobicContact CG2-CB 3.97Å
52I82.6Confident73.9Confident11 Ų1171.2 Ų71.26%0.05636%0.362CS..Hα-helixtrans-59.7-41.7178-65.9-62.5000111.1Y48 L55 L56 F85 A317 R320Y48-I52 HydrophobicContact CD1-CG1 4.21Å; Y48-I52 HydrophobicContact CD2-CG1 4.33Å; Y48-I52 HydrophobicContact CE1-CG1 3.8Å; Y48-I52 HydrophobicContact CE2-CD1 4.19Å; Y48-I52 HydrophobicContact CE2-CG1 3.94Å; Y48-I52 HydrophobicContact CG-CG1 4.45Å; Y48-I52 WeakPolarHBondContact O-CB 3.38Å; Y48-I52 WeakPolarHBondContact O-CG1 3.38Å; Y48-I52 PolarHBondContact O-N 3.37Å; I52-L55 PolarHBondContact O-N 3.31Å; I52-L56 PolarHBondContact O-N 3.2Å; I52-F85 HydrophobicContact CG2-CB 3.9Å; I52-F85 HydrophobicContact CG2-CD1 4.22Å; I52-F85 VanDerWaalsContact CG2-O 3.23Å; I52-F85 WeakPolarHBondContact CG2-O 3.24Å; I52-A317 HydrophobicContact CD1-CB 4.06Å; I52-R320 HydrophobicContact CD1-CB 4.5Å; I52-R320 HydrophobicContact CD1-CG 4.14Å
53Y82.7Confident75.8Confident140 Ų14064.8 Ų64.855%0.54932%0.322SS..Hα-helixtrans-65.2-40.9175.7-175.8-104000112.4N49 R50 I51 L56 L57N49-Y53 WeakPolarHBondContact O-CB 3.23Å; N49-Y53 PolarHBondContact O-N 2.95Å; R50-Y53 PolarHBondContact O-N 3.17Å; I51-Y53 VanDerWaalsContact C-N 3.29Å; I51-Y53 PolarHBondContact O-N 2.8Å; Y53-L56 WeakPolarHBondContact O-CB 3.32Å; Y53-L56 PolarHBondContact O-N 3.08Å; Y53-L57 HydrophobicContact CD1-CD1 3.86Å; Y53-L57 HydrophobicContact CD1-CG 4.18Å; Y53-L57 HydrophobicContact CE1-CD1 3.43Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.43Å; Y53-L57 HydrophobicContact CE1-CD2 4.29Å; Y53-L57 HydrophobicContact CE1-CG 3.86Å; Y53-L57 WeakPolarHBondContact O-CG 3.41Å; Y53-L57 PolarHBondContact O-N 3.44Å
54T85.7Confident77.8Confident84 Ų8462.6 Ų62.652%0.51530%0.302SS..Hα-helixtrans-61.7-43.6173.7-61.60000111.3R50 I51 L56 L57 H58R50-T54 WeakPolarHBondContact O-CB 3.32Å; R50-T54 PolarHBondContact O-N 3.16Å; R50-T54 PolarHBondContact O-OG1 3Å; I51-T54 WeakPolarHBondContact O-CB 3.13Å; I51-T54 PolarHBondContact O-N 3.19Å; I51-T54 VanDerWaalsContact O-N 3.17Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 2.95Å; T54-L57 PolarHBondContact O-N 3.23Å; T54-H58 WeakPolarHBondContact O-CB 3.38Å; T54-H58 PolarHBondContact O-N 2.85Å
55L87.8Confident79.7Confident18 Ų1863.5 Ų63.59%0.09431%0.308CS..Hα-helixtrans-61.4-40.4175-67.2175.9000111.5I51 I52 H58 Y59 F85 R320 L321 L324I51-L55 HydrophobicContact CG2-CD1 4.26Å; I51-L55 HydrophobicContact CG2-CG 4.47Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 2.92Å; I52-L55 PolarHBondContact O-N 3.31Å; L55-H58 PolarHBondContact O-N 3.5Å; L55-Y59 WeakPolarHBondContact O-CB 3.43Å; L55-Y59 PolarHBondContact O-N 3.16Å; L55-F85 HydrophobicContact CB-CE1 4.15Å; L55-R320 HydrophobicContact CD1-CB 3.93Å; L55-L321 HydrophobicContact CD2-CB 4.39Å; L55-L321 HydrophobicContact CD2-CD1 3.83Å; L55-L324 HydrophobicContact CB-CD1 3.94Å; L55-L324 HydrophobicContact CD2-CD1 4.14Å
56L87.3Confident81.4Confident8 Ų854.7 Ų54.74%0.04228%0.275CS..Hα-helixtrans-63.4-46.9174.8173.463.1000111.9I52 Y53 T54 H58 Y59 K60 D82 F85I52-L56 PolarHBondContact O-N 3.2Å; Y53-L56 WeakPolarHBondContact O-CB 3.32Å; Y53-L56 PolarHBondContact O-N 3.08Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 2.95Å; L56-H58 VanDerWaalsContact C-N 3.32Å; L56-H58 PolarHBondContact O-N 3.28Å; L56-Y59 PolarHBondContact O-N 3.3Å; L56-K60 HydrophobicContact CD1-CD 4.32Å; L56-K60 HydrophobicContact CD1-CG 4.36Å; L56-K60 HydrophobicContact CG-CD 4.47Å; L56-K60 WeakPolarHBondContact O-CG 3.07Å; L56-K60 PolarHBondContact O-N 2.77Å; L56-D82 HydrophobicContact CD2-CB 4.33Å; L56-F85 HydrophobicContact CB-CD1 3.87Å; L56-F85 HydrophobicContact CB-CD2 4.35Å; L56-F85 HydrophobicContact CB-CE1 4.07Å; L56-F85 HydrophobicContact CB-CG 4.01Å; L56-F85 HydrophobicContact CB-CZ 4.39Å; L56-F85 HydrophobicContact CD1-CD2 3.55Å; L56-F85 HydrophobicContact CD1-CE2 3.62Å; L56-F85 HydrophobicContact CD1-CG 4.05Å; L56-F85 HydrophobicContact CD1-CZ 4.18Å; L56-F85 HydrophobicContact CG-CD2 4.45Å; L56-F85 HydrophobicContact CG-CG 4.48Å
57L86.3Confident82.9Confident81 Ų8148.7 Ų48.742%0.42425%0.248SC..Hα-helixtrans-60.4-45.4176.9-74.2-178.1000111Y53 T54 K60 A61Y53-L57 HydrophobicContact CD1-CD1 3.86Å; Y53-L57 HydrophobicContact CD1-CG 4.18Å; Y53-L57 HydrophobicContact CE1-CD1 3.43Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.43Å; Y53-L57 HydrophobicContact CE1-CD2 4.29Å; Y53-L57 HydrophobicContact CE1-CG 3.86Å; Y53-L57 WeakPolarHBondContact O-CG 3.41Å; Y53-L57 PolarHBondContact O-N 3.44Å; T54-L57 PolarHBondContact O-N 3.23Å; L57-K60 PolarHBondContact O-N 3.36Å; L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3.47Å
58H86.4Confident84.3Confident48 Ų4854 Ų5422%0.22226%0.259CS..Hα-helixtrans-61.8-50.6177.7-171.891.1000110.1E25 F26 T54 L55 L56 K60 A61 A62E25-H58 IonicContact OE2-CE1 3.67Å; E25-H58 PolarHBondContact OE2-CE1 2.98Å; E25-H58 VanDerWaalsContact OE2-CE1 3.23Å; F26-H58 AromaticContact CE1-CD2 3.73Å; F26-H58 AromaticContact CE1-NE2 3.99Å; F26-H58 AromaticContact CE2-CD2 3.67Å; F26-H58 AromaticContact CE2-NE2 3.37Å; F26-H58 WeakPolarHBondContact CE2-NE2 3.37Å; F26-H58 AromaticContact CZ-CD2 3.11Å; F26-H58 WeakPolarHBondContact CZ-CD2 3.43Å; F26-H58 AromaticContact CZ-NE2 3.33Å; F26-H58 VanDerWaalsContact CZ-NE2 3.33Å; F26-H58 WeakPolarHBondContact CZ-NE2 3.37Å; T54-H58 WeakPolarHBondContact O-CB 3.38Å; T54-H58 PolarHBondContact O-N 2.85Å; L55-H58 PolarHBondContact O-N 3.5Å; L56-H58 VanDerWaalsContact C-N 3.32Å; L56-H58 PolarHBondContact O-N 3.28Å; H58-K60 VanDerWaalsContact C-N 3.29Å; H58-K60 PolarHBondContact O-N 3.1Å; H58-A61 PolarHBondContact O-N 3.25Å; H58-A61 VanDerWaalsContact O-N 3.11Å; H58-A62 WeakPolarHBondContact O-CB 3.36Å; H58-A62 PolarHBondContact O-N 3.21Å
59Y89.3Confident85.4Confident1 Ų156.2 Ų56.20%0.00427%0.271CS..Hα-helixtrans-50.2-47.2173.9172.3-109.7000112.8L55 L56 I63 L64 E67 N79 L80 F85 L324L55-Y59 WeakPolarHBondContact O-CB 3.43Å; L55-Y59 PolarHBondContact O-N 3.16Å; L56-Y59 PolarHBondContact O-N 3.3Å; Y59-I63 HydrophobicContact CD2-CB 3.74Å; Y59-I63 HydrophobicContact CD2-CD1 4.09Å; Y59-I63 HydrophobicContact CD2-CG2 3.91Å; Y59-I63 HydrophobicContact CE2-CB 4.02Å; Y59-I63 HydrophobicContact CE2-CG2 3.72Å; Y59-I63 PolarHBondContact O-N 2.87Å; Y59-I63 VanDerWaalsContact O-N 3.08Å; Y59-L64 HydrophobicContact CD1-CB 4.41Å; Y59-L64 HydrophobicContact CE1-CB 4.01Å; Y59-L64 HydrophobicContact CE1-CD1 4.16Å; Y59-L64 HydrophobicContact CE1-CD2 4.33Å; Y59-L64 HydrophobicContact CE1-CG 4.4Å; Y59-L64 HydrophobicContact CE2-CB 4.37Å; Y59-L64 WeakPolarHBondContact O-CB 3.48Å; Y59-L64 PolarHBondContact O-N 2.86Å; Y59-E67 PolarHBondContact OH-OE2 3.19Å; Y59-N79 WeakPolarHBondContact OH-CA 3.44Å; Y59-N79 WeakPolarHBondContact OH-CB 3.37Å; Y59-L80 HydrophobicContact CD1-CB 4.34Å; Y59-L80 HydrophobicContact CE1-CB 3.72Å; Y59-L80 PolarHBondContact OH-N 3.01Å; Y59-F85 HydrophobicContact CD1-CE2 4.29Å; Y59-F85 HydrophobicContact CD1-CZ 4.35Å; Y59-F85 HydrophobicContact CG-CZ 4.31Å; Y59-L324 HydrophobicContact CD2-CD2 3.62Å; Y59-L324 HydrophobicContact CG-CD2 3.96Å
60K88.8Confident86.1Confident79 Ų7953.2 Ų53.234%0.34326%0.256SS..Hα-helixtrans-65.7-36.2-179.6-76.7-178.4173.9177.90113.8L56 L57 H58 L64 P65 D82L56-K60 HydrophobicContact CD1-CD 4.32Å; L56-K60 HydrophobicContact CD1-CG 4.36Å; L56-K60 HydrophobicContact CG-CD 4.47Å; L56-K60 WeakPolarHBondContact O-CG 3.07Å; L56-K60 PolarHBondContact O-N 2.77Å; L57-K60 PolarHBondContact O-N 3.36Å; H58-K60 VanDerWaalsContact C-N 3.29Å; H58-K60 PolarHBondContact O-N 3.1Å; K60-L64 HydrophobicContact CG-CD2 4.17Å; K60-P65 WeakPolarHBondContact O-CD 3.44Å; K60-D82 WeakPolarHBondContact CE-OD1 3.39Å; K60-D82 IonicContact NZ-OD1 2.81Å; K60-D82 PolarHBondContact NZ-OD1 3.04Å; K60-D82 IonicContact NZ-OD2 3.72Å; K60-D82 PolarHBondContact NZ-OD2 3.43Å
61A87.2Confident86.5Confident65 Ų6550.7 Ų50.754%0.53725%0.249SC..Hα-helixtrans-83.7-35.2-177.900000112.9K18 L57 H58K18-A61 PolarHBondContact NZ-O 3.48Å; L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3.47Å; H58-A61 PolarHBondContact O-N 3.25Å; H58-A61 VanDerWaalsContact O-N 3.11Å
62A84.4Confident86.6Confident4 Ų449.4 Ų49.43%0.03324%0.242CC..Hα-helixtrans-98.1-65.2-168.300000113L22 H58L22-A62 VanDerWaalsContact CD1-C 3.42Å; L22-A62 HydrophobicContact CD1-CB 3.48Å; L22-A62 VanDerWaalsContact CD1-CB 3.48Å; L22-A62 VanDerWaalsContact CD1-O 3.25Å; L22-A62 WeakPolarHBondContact CD1-O 3.03Å; L22-A62 HydrophobicContact CD2-CB 3.11Å; L22-A62 HydrophobicContact CG-CB 3.81Å; H58-A62 WeakPolarHBondContact O-CB 3.36Å; H58-A62 PolarHBondContact O-N 3.21Å
63I87.6Confident86.6Confident2 Ų252.7 Ų52.71%0.0126%0.26CS..Hα-helixtrans-89.4-47.7-165.2-64.7164.8000110.7F26 Y59 P65 V66 E67 L324 R327 A328 V331F26-I63 HydrophobicContact CE2-CD1 3.51Å; F26-I63 HydrophobicContact CE2-CG1 4.11Å; F26-I63 HydrophobicContact CZ-CD1 3.61Å; Y59-I63 HydrophobicContact CD2-CB 3.74Å; Y59-I63 HydrophobicContact CD2-CD1 4.09Å; Y59-I63 HydrophobicContact CD2-CG2 3.91Å; Y59-I63 HydrophobicContact CE2-CB 4.02Å; Y59-I63 HydrophobicContact CE2-CG2 3.72Å; Y59-I63 PolarHBondContact O-N 2.87Å; Y59-I63 VanDerWaalsContact O-N 3.08Å; I63-P65 VanDerWaalsContact C-CD 3.46Å; I63-V66 PolarHBondContact O-N 3.08Å; I63-V66 VanDerWaalsContact O-N 3.07Å; I63-E67 HydrophobicContact CG2-CG 3.77Å; I63-E67 PolarHBondContact O-N 3.15Å; I63-L324 HydrophobicContact CD1-CB 4.04Å; I63-L324 HydrophobicContact CD1-CD2 4.05Å; I63-R327 HydrophobicContact CG2-CB 4.32Å; I63-A328 HydrophobicContact CD1-CB 4.32Å; I63-A328 HydrophobicContact CG1-CB 4.41Å; I63-V331 HydrophobicContact CG2-CG2 4.42Å
64L88.6Confident86.4Confident14 Ų1452 Ų527%0.07327%0.265CS..Hα-helixtrans-55.7-42-174.317863000113.7Y59 K60 V66 E67 R68 N79Y59-L64 HydrophobicContact CD1-CB 4.41Å; Y59-L64 HydrophobicContact CE1-CB 4.01Å; Y59-L64 HydrophobicContact CE1-CD1 4.16Å; Y59-L64 HydrophobicContact CE1-CD2 4.33Å; Y59-L64 HydrophobicContact CE1-CG 4.4Å; Y59-L64 HydrophobicContact CE2-CB 4.37Å; Y59-L64 WeakPolarHBondContact O-CB 3.48Å; Y59-L64 PolarHBondContact O-N 2.86Å; K60-L64 HydrophobicContact CG-CD2 4.17Å; L64-V66 VanDerWaalsContact C-N 3.3Å; L64-V66 PolarHBondContact O-N 2.99Å; L64-E67 PolarHBondContact O-N 3.22Å; L64-R68 HydrophobicContact CD1-CG 4.19Å; L64-R68 WeakPolarHBondContact O-CB 3.19Å; L64-R68 WeakPolarHBondContact O-CG 3.42Å; L64-R68 PolarHBondContact O-N 2.88Å; L64-R68 VanDerWaalsContact O-N 3.09Å; L64-N79 HydrophobicContact CD1-CB 3.73Å; L64-N79 WeakPolarHBondContact CD1-ND2 3.29Å
65P88.4Confident86.1Confident51 Ų5153.6 Ų53.633%0.33127%0.274SS..Hα-helixtrans-61.1-41.1177.1-23.536.2000112K60 I63 R68 Q69K60-P65 WeakPolarHBondContact O-CD 3.44Å; I63-P65 VanDerWaalsContact C-CD 3.46Å; P65-R68 PolarHBondContact O-N 2.82Å; P65-Q69 WeakPolarHBondContact O-CB 3.39Å; P65-Q69 PolarHBondContact O-N 2.96Å
66V87.1Confident85.8Confident4 Ų456.2 Ų56.22%0.02428%0.283CS..Hα-helixtrans-72.1-43.3-179.4-1720000111.4I15 I63 L64 R68 Q69 L70 V331I15-V66 HydrophobicContact CG2-CB 4.42Å; I15-V66 HydrophobicContact CG2-CG1 3.43Å; I15-V66 VanDerWaalsContact CG2-CG1 3.43Å; I15-V66 HydrophobicContact CG2-CG2 4.2Å; I63-V66 PolarHBondContact O-N 3.08Å; I63-V66 VanDerWaalsContact O-N 3.07Å; L64-V66 VanDerWaalsContact C-N 3.3Å; L64-V66 PolarHBondContact O-N 2.99Å; V66-R68 PolarHBondContact O-N 3.41Å; V66-Q69 PolarHBondContact O-N 2.64Å; V66-L70 HydrophobicContact CG1-CD1 3.87Å; V66-L70 HydrophobicContact CG1-CG 4.19Å; V66-L70 WeakPolarHBondContact O-CB 3.34Å; V66-L70 PolarHBondContact O-N 3.39Å; V66-V331 HydrophobicContact CB-CG1 3.93Å; V66-V331 HydrophobicContact CG1-CG1 3.25Å
67E88.4Confident85.3Confident11 Ų1156.8 Ų56.85%0.05129%0.287CS..Hα-helixtrans-55.4-41.2174.5-73.5-176.2158.100111.6Y59 I63 L64 K71 L72 N79 R327 V331Y59-E67 PolarHBondContact OH-OE2 3.19Å; I63-E67 HydrophobicContact CG2-CG 3.77Å; I63-E67 PolarHBondContact O-N 3.15Å; L64-E67 PolarHBondContact O-N 3.22Å; E67-K71 PolarHBondContact O-N 2.84Å; E67-L72 HydrophobicContact CG-CD1 4.22Å; E67-L72 PolarHBondContact O-N 2.78Å; E67-N79 VanDerWaalsContact CB-ND2 3.32Å; E67-N79 WeakPolarHBondContact CB-ND2 3.33Å; E67-N79 PolarHBondContact OE2-ND2 3.3Å; E67-R327 IonicContact OE1-CZ 3.41Å; E67-R327 IonicContact OE1-NH1 2.68Å; E67-R327 PolarHBondContact OE1-NH1 3.38Å; E67-R327 IonicContact OE2-NH1 3.87Å; E67-R327 PolarHBondContact OE2-NH1 3.13Å; E67-V331 HydrophobicContact CG-CG2 3.87Å
68R88.3Confident85.1Confident163 Ų16358.8 Ų58.862%0.61529%0.289SS*.Hα-helixtrans-70.2-43.3178.4-75.5176.1173.4173.1-0.2112.5L64 P65 V66 K71L64-R68 HydrophobicContact CD1-CG 4.19Å; L64-R68 WeakPolarHBondContact O-CB 3.19Å; L64-R68 WeakPolarHBondContact O-CG 3.42Å; L64-R68 PolarHBondContact O-N 2.88Å; L64-R68 VanDerWaalsContact O-N 3.09Å; P65-R68 PolarHBondContact O-N 2.82Å; V66-R68 PolarHBondContact O-N 3.41Å; R68-K71 PolarHBondContact O-N 3.05Å
69Q86.4Confident84.9Confident95 Ų9558.2 Ų58.244%0.44429%0.288SS..Hα-helixtrans-64.7-41.8-179.5-173.1165.610.800111.6N11 I15 P65 V66 K71N11-Q69 PolarHBondContact ND2-NE2 3.04Å; I15-Q69 HydrophobicContact CD1-CG 4.1Å; P65-Q69 WeakPolarHBondContact O-CB 3.39Å; P65-Q69 PolarHBondContact O-N 2.96Å; V66-Q69 PolarHBondContact O-N 2.64Å; Q69-K71 PolarHBondContact O-N 2.93Å
70L85.7Confident84.7Confident28 Ų2858.9 Ų58.915%0.14729%0.292CS..THydrogen-bonded Turntrans-79.5-1.3176.2-65.5-178.4000113.8V66 L72 V331 F335 L338V66-L70 HydrophobicContact CG1-CD1 3.87Å; V66-L70 HydrophobicContact CG1-CG 4.19Å; V66-L70 WeakPolarHBondContact O-CB 3.34Å; V66-L70 PolarHBondContact O-N 3.39Å; L70-L72 HydrophobicContact CB-CD2 3.63Å; L70-L72 HydrophobicContact CB-CG 3.76Å; L70-L72 HydrophobicContact CD1-CD2 4.29Å; L70-L72 PolarHBondContact O-N 3.11Å; L70-V331 HydrophobicContact CD1-CG1 4.37Å; L70-F335 HydrophobicContact CD1-CB 4.43Å; L70-L338 HydrophobicContact CD2-CD1 3.8Å
71K85.6Confident84.4Confident119 Ų11956.5 Ų56.552%0.51729%0.285SS..THydrogen-bonded Turntrans48.344.5-176.5-59.1179.4-179.41740112.4E67 R68 Q69 D73 I74E67-K71 PolarHBondContact O-N 2.84Å; R68-K71 PolarHBondContact O-N 3.05Å; Q69-K71 PolarHBondContact O-N 2.93Å; K71-D73 VanDerWaalsContact C-OD1 3.28Å; K71-D73 PolarHBondContact O-N 3.37Å; K71-D73 VanDerWaalsContact O-N 3.14Å; K71-I74 HydrophobicContact CB-CD1 3.74Å; K71-I74 HydrophobicContact CB-CG1 4.28Å; K71-I74 HydrophobicContact CD-CD1 4.32Å; K71-I74 WeakPolarHBondContact O-CB 3.25Å; K71-I74 WeakPolarHBondContact O-CG1 3.4Å; K71-I74 PolarHBondContact O-N 3.22Å; K71-I74 VanDerWaalsContact O-N 3.16Å
72L84.6Confident84.2Confident11 Ų1156.7 Ų56.76%0.05828%0.277CS..G310 helixtrans-64.7-19.1-174.4-68.1-165.9000112.9E67 L70 I74 V75 Y76 V331 T334E67-L72 HydrophobicContact CG-CD1 4.22Å; E67-L72 PolarHBondContact O-N 2.78Å; L70-L72 HydrophobicContact CB-CD2 3.63Å; L70-L72 HydrophobicContact CB-CG 3.76Å; L70-L72 HydrophobicContact CD1-CD2 4.29Å; L70-L72 PolarHBondContact O-N 3.11Å; L72-I74 PolarHBondContact O-N 3.42Å; L72-V75 PolarHBondContact O-N 2.87Å; L72-V75 VanDerWaalsContact O-N 3.07Å; L72-Y76 HydrophobicContact CB-CD2 3.96Å; L72-Y76 HydrophobicContact CD1-CD2 4.46Å; L72-Y76 HydrophobicContact CD2-CD2 4.27Å; L72-Y76 HydrophobicContact CD2-CE2 4.19Å; L72-Y76 HydrophobicContact CG-CD2 4.45Å; L72-Y76 WeakPolarHBondContact O-CB 3.31Å; L72-Y76 PolarHBondContact O-N 3.47Å; L72-V331 HydrophobicContact CD1-CB 4.44Å; L72-V331 HydrophobicContact CD1-CG2 3.64Å; L72-T334 HydrophobicContact CD2-CG2 3.59Å
73D81.5Confident84.1Confident81 Ų8158.3 Ų58.343%0.43329%0.286SS..G310 helixtrans-65.4-12.3175.765.1-35.2000114.1K71K71-D73 VanDerWaalsContact C-OD1 3.28Å; K71-D73 PolarHBondContact O-N 3.37Å; K71-D73 VanDerWaalsContact O-N 3.14Å
74I79.5Confident83.8Confident126 Ų12658.7 Ų58.765%0.64629%0.288SS*.G310 helixtrans-71.4-34.4170.6-60.6172.9000111.2K71 L72K71-I74 HydrophobicContact CB-CD1 3.74Å; K71-I74 HydrophobicContact CB-CG1 4.28Å; K71-I74 HydrophobicContact CD-CD1 4.32Å; K71-I74 WeakPolarHBondContact O-CB 3.25Å; K71-I74 WeakPolarHBondContact O-CG1 3.4Å; K71-I74 PolarHBondContact O-N 3.22Å; K71-I74 VanDerWaalsContact O-N 3.16Å; L72-I74 PolarHBondContact O-N 3.42Å
75V79.5Confident83.5Confident116 Ų11658.5 Ų58.570%0.70329%0.287SS*.THydrogen-bonded Turntrans-111.4-33.5-171.9-176.60000112.1L72L72-V75 PolarHBondContact O-N 2.87Å; L72-V75 VanDerWaalsContact O-N 3.07Å
76Y81.3Confident83Confident74 Ų7463.1 Ų63.129%0.2930%0.304SS..SBendtrans-111.8162.1-176.4-61-75.8000111.2L72 R330 T334L72-Y76 HydrophobicContact CB-CD2 3.96Å; L72-Y76 HydrophobicContact CD1-CD2 4.46Å; L72-Y76 HydrophobicContact CD2-CD2 4.27Å; L72-Y76 HydrophobicContact CD2-CE2 4.19Å; L72-Y76 HydrophobicContact CG-CD2 4.45Å; L72-Y76 WeakPolarHBondContact O-CB 3.31Å; L72-Y76 PolarHBondContact O-N 3.47Å; Y76-R330 HydrophobicContact CE1-CB 4.41Å; Y76-R330 HydrophobicContact CE1-CG 4.09Å; Y76-T334 WeakPolarHBondContact CE2-OG1 3.37Å; Y76-T334 PolarHBondContact OH-OG1 2.85Å
77P77.3Confident82.8Confident20 Ų2063.6 Ų63.613%0.1331%0.307CS..PPolyproline II helixtrans-52.4145.9171-27.637000111.9T203 H204 D207P77-T203 HydrophobicContact CG-CG2 4.4Å; P77-H204 HydrophobicContact CB-CB 4.48Å; P77-D207 HydrophobicContact CB-CB 3.88Å; P77-D207 HydrophobicContact CG-CB 3.78Å
78R80.9Confident82.7Confident122 Ų12265.6 Ų65.646%0.4632%0.32SS..PPolyproline II helixtrans-53.4158.5-176-66.3-174.9177.5-173.70.4112.9T158 R208 R327R78-T158 VanDerWaalsContact CZ-CG2 3.48Å; R78-T158 VanDerWaalsContact NH2-CG2 3.29Å; R78-T158 PolarHBondContact NH2-OG1 3.06Å; R78-R208 PolarHBondContact O-NH2 2.67Å; R78-R327 PolarHBondContact O-NH2 3.08Å; R78-R327 VanDerWaalsContact O-NH2 3.09Å
79N82.8Confident82.9Confident37 Ų3758 Ų5820%0.19829%0.292CS..PPolyproline II helixtrans-51.7149.4173.5-52.483.3000112Y59 L64 E67 R208Y59-N79 WeakPolarHBondContact OH-CA 3.44Å; Y59-N79 WeakPolarHBondContact OH-CB 3.37Å; L64-N79 HydrophobicContact CD1-CB 3.73Å; L64-N79 WeakPolarHBondContact CD1-ND2 3.29Å; E67-N79 VanDerWaalsContact CB-ND2 3.32Å; E67-N79 WeakPolarHBondContact CB-ND2 3.33Å; E67-N79 PolarHBondContact OE2-ND2 3.3Å; N79-R208 PolarHBondContact O-NH2 3.14Å
80L84.9Confident83.2Confident15 Ų1553.7 Ų53.78%0.07927%0.272CS..PPolyproline II helixtrans-74.1151174.7-59.4174.1000110.2Y59 D84 F85 R208 L324Y59-L80 HydrophobicContact CD1-CB 4.34Å; Y59-L80 HydrophobicContact CE1-CB 3.72Å; Y59-L80 PolarHBondContact OH-N 3.01Å; L80-D84 HydrophobicContact CB-CB 4.44Å; L80-D84 HydrophobicContact CD2-CB 4.15Å; L80-F85 HydrophobicContact CB-CE2 3.91Å; L80-F85 HydrophobicContact CD1-CE2 3.97Å; L80-F85 HydrophobicContact CD1-CZ 4.07Å; L80-R208 HydrophobicContact CD2-CG 4.43Å; L80-L324 HydrophobicContact CD1-CD2 4.3Å
81S83.1Confident83.7Confident28 Ų2852.4 Ų52.420%0.19627%0.265CS..  trans-114.6165.317566.90000110.6T83 D84 F85 T154S81-T83 PolarHBondContact O-N 2.81Å; S81-T83 VanDerWaalsContact O-N 3.14Å; S81-T83 PolarHBondContact OG-OG1 3.24Å; S81-D84 WeakPolarHBondContact CB-OD2 3.48Å; S81-D84 PolarHBondContact N-OD2 3.36Å; S81-D84 WeakPolarHBondContact O-CB 3.38Å; S81-D84 PolarHBondContact O-N 3.22Å; S81-D84 PolarHBondContact OG-N 3.41Å; S81-D84 PolarHBondContact OG-OD2 2.78Å; S81-F85 WeakPolarHBondContact O-CD2 3.34Å; S81-T154 WeakPolarHBondContact OG-CG2 3.07Å; S81-T154 PolarHBondContact OG-OG1 3.07Å
82D82.7Confident84.2Confident69 Ų6946.7 Ų46.737%0.36924%0.24SC..Hα-helixtrans-55.6-33.5176.5-61.418.2000111.9L56 K60 D84 F85 Q86L56-D82 HydrophobicContact CD2-CB 4.33Å; K60-D82 WeakPolarHBondContact CE-OD1 3.39Å; K60-D82 IonicContact NZ-OD1 2.81Å; K60-D82 PolarHBondContact NZ-OD1 3.04Å; K60-D82 IonicContact NZ-OD2 3.72Å; K60-D82 PolarHBondContact NZ-OD2 3.43Å; D82-D84 VanDerWaalsContact C-N 3.33Å; D82-D84 PolarHBondContact O-N 3.48Å; D82-F85 PolarHBondContact O-N 3.09Å; D82-Q86 WeakPolarHBondContact O-CG 3.25Å; D82-Q86 PolarHBondContact O-N 2.68Å
83T81.3Confident84.8Confident39 Ų3946.2 Ų46.224%0.23924%0.238CC..Hα-helixtrans-67.1-32.2177.3470000112.8S81 F85 Q86 T87S81-T83 PolarHBondContact O-N 2.81Å; S81-T83 VanDerWaalsContact O-N 3.14Å; S81-T83 PolarHBondContact OG-OG1 3.24Å; T83-F85 PolarHBondContact O-N 3.13Å; T83-Q86 PolarHBondContact O-N 3.37Å; T83-Q86 VanDerWaalsContact O-N 3.08Å; T83-T87 WeakPolarHBondContact O-CG2 3.45Å; T83-T87 PolarHBondContact O-N 3.17Å
84D82.3Confident85.3Confident9 Ų942.3 Ų42.35%0.04822%0.217CC..Hα-helixtrans-63.8-24.3177.6-62.5-66.7000111.9L80 S81 D82 T87 T154 R208 R320L80-D84 HydrophobicContact CB-CB 4.44Å; L80-D84 HydrophobicContact CD2-CB 4.15Å; S81-D84 WeakPolarHBondContact CB-OD2 3.48Å; S81-D84 PolarHBondContact N-OD2 3.36Å; S81-D84 WeakPolarHBondContact O-CB 3.38Å; S81-D84 PolarHBondContact O-N 3.22Å; S81-D84 PolarHBondContact OG-N 3.41Å; S81-D84 PolarHBondContact OG-OD2 2.78Å; D82-D84 VanDerWaalsContact C-N 3.33Å; D82-D84 PolarHBondContact O-N 3.48Å; D84-T87 PolarHBondContact O-OG1 3.4Å; D84-T154 PolarHBondContact OD1-OG1 3.22Å; D84-T154 PolarHBondContact OD2-OG1 3.33Å; D84-T154 VanDerWaalsContact OD2-OG1 3.06Å; D84-R208 IonicContact OD1-NE 2.7Å; D84-R208 PolarHBondContact OD1-NE 3.43Å; D84-R320 PolarHBondContact O-NH2 3.06Å; D84-R320 VanDerWaalsContact O-NH2 3.15Å
85F81.5Confident85.8Confident11 Ų1136.3 Ų36.35%0.04819%0.186CC..Hα-helixtrans-88.9-18.3176.5-71.4-102.2000113.1I52 L55 L56 Y59 L80 S81 D82 T83 L324I52-F85 HydrophobicContact CG2-CB 3.9Å; I52-F85 HydrophobicContact CG2-CD1 4.22Å; I52-F85 VanDerWaalsContact CG2-O 3.23Å; I52-F85 WeakPolarHBondContact CG2-O 3.24Å; L55-F85 HydrophobicContact CB-CE1 4.15Å; L56-F85 HydrophobicContact CB-CD1 3.87Å; L56-F85 HydrophobicContact CB-CD2 4.35Å; L56-F85 HydrophobicContact CB-CE1 4.07Å; L56-F85 HydrophobicContact CB-CG 4.01Å; L56-F85 HydrophobicContact CB-CZ 4.39Å; L56-F85 HydrophobicContact CD1-CD2 3.55Å; L56-F85 HydrophobicContact CD1-CE2 3.62Å; L56-F85 HydrophobicContact CD1-CG 4.05Å; L56-F85 HydrophobicContact CD1-CZ 4.18Å; L56-F85 HydrophobicContact CG-CD2 4.45Å; L56-F85 HydrophobicContact CG-CG 4.48Å; Y59-F85 HydrophobicContact CD1-CE2 4.29Å; Y59-F85 HydrophobicContact CD1-CZ 4.35Å; Y59-F85 HydrophobicContact CG-CZ 4.31Å; L80-F85 HydrophobicContact CB-CE2 3.91Å; L80-F85 HydrophobicContact CD1-CE2 3.97Å; L80-F85 HydrophobicContact CD1-CZ 4.07Å; S81-F85 WeakPolarHBondContact O-CD2 3.34Å; D82-F85 PolarHBondContact O-N 3.09Å; T83-F85 PolarHBondContact O-N 3.13Å; F85-L324 HydrophobicContact CZ-CD2 4.3Å
86Q79Confident86.1Confident147 Ų14732 Ų3269%0.68716%0.161SC*.Hα-helixtrans-101.2-10.5-173.5-67.7174.63.400113.6D82 T83D82-Q86 WeakPolarHBondContact O-CG 3.25Å; D82-Q86 PolarHBondContact O-N 2.68Å; T83-Q86 PolarHBondContact O-N 3.37Å; T83-Q86 VanDerWaalsContact O-N 3.08Å
87T82.4Confident86.3Confident15 Ų1530.6 Ų30.69%0.09216%0.16CC..SBendtrans-70.5152.4-179.255.70000112T83 D84 P151 F152T83-T87 WeakPolarHBondContact O-CG2 3.45Å; T83-T87 PolarHBondContact O-N 3.17Å; D84-T87 PolarHBondContact O-OG1 3.4Å; T87-P151 HydrophobicContact CG2-CB 3.72Å; T87-P151 WeakPolarHBondContact CG2-O 3.44Å; T87-F152 HydrophobicContact CG2-CD1 3.95Å; T87-F152 HydrophobicContact CG2-CE1 3.9Å
88T86.7Confident86.7Confident52 Ų5233 Ų3332%0.31918%0.177SC..PPolyproline II helixtrans-63.1149.5163.553.30000109.6I90 S180T88-I90 WeakPolarHBondContact O-CG1 3.34Å; T88-I90 PolarHBondContact O-N 3.06Å; T88-S180 PolarHBondContact OG1-OG 3.1Å
89P91.4Very high87.2Confident5 Ų527.4 Ų27.43%0.03216%0.156CC..PPolyproline II helixtrans-47137.3174.2-29.633.2000113.2Q178 Y179 S180 D210 L312 V313 C316P89-Q178 WeakPolarHBondContact CD-O 3.31Å; P89-Y179 CarbonylContact O-C 3.54Å; P89-Y179 WeakPolarHBondContact O-CA 3.21Å; P89-Y179 WeakPolarHBondContact O-CB 3.36Å; P89-S180 PolarHBondContact O-N 3.04Å; P89-D210 WeakPolarHBondContact CA-OD2 3.38Å; P89-D210 HydrophobicContact CB-CB 4.25Å; P89-L312 HydrophobicContact CB-CB 3.97Å; P89-L312 HydrophobicContact CB-CD1 4.49Å; P89-L312 HydrophobicContact CG-CB 4.3Å; P89-V313 HydrophobicContact CG-CG2 4.16Å; P89-C316 HydrophobicContact CG-CB 4.42Å
90I93.7Very high87.6Confident4 Ų426.3 Ų26.32%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-113.2128.8-176.1-49.1174.5000109.3T88 F152 L155 S180 I182 V209 D210 M211T88-I90 WeakPolarHBondContact O-CG1 3.34Å; T88-I90 PolarHBondContact O-N 3.06Å; I90-F152 HydrophobicContact CD1-CD1 3.62Å; I90-F152 HydrophobicContact CD1-CE1 3.37Å; I90-F152 HydrophobicContact CD1-CZ 4.4Å; I90-F152 HydrophobicContact CG1-CD1 4.47Å; I90-F152 HydrophobicContact CG1-CE1 3.75Å; I90-F152 HydrophobicContact CG1-CZ 4.43Å; I90-L155 HydrophobicContact CD1-CD1 4.08Å; I90-L155 HydrophobicContact CD1-CD2 4.08Å; I90-S180 WeakPolarHBondContact CA-O 3.2Å; I90-I182 HydrophobicContact CG2-CD1 3.69Å; I90-I182 HydrophobicContact CG2-CG1 3.73Å; I90-V209 HydrophobicContact CB-CB 4.16Å; I90-V209 HydrophobicContact CB-CG1 3.95Å; I90-V209 HydrophobicContact CG2-CB 4.23Å; I90-V209 HydrophobicContact CG2-CG1 3.58Å; I90-V209 WeakPolarHBondContact O-CB 3.43Å; I90-D210 PolarHBondContact N-OD2 2.98Å; I90-D210 PolarHBondContact O-N 3.04Å; I90-M211 PolarHBondContact O-N 3.4Å
91I96.2Very high88Confident0 Ų026.1 Ų26.10%015%0.152CC..EExtended strand (participates in β ladder)trans-106124.1174.7-54.3172.3000108.2V93 Y179 S180 V181 I182 M211 I213 I309 L312I91-V93 HydrophobicContact CG2-CG2 4.38Å; I91-Y179 HydrophobicContact CD1-CD2 3.68Å; I91-Y179 HydrophobicContact CD1-CE2 4.14Å; I91-Y179 HydrophobicContact CD1-CG 4.16Å; I91-S180 PolarHBondContact N-O 3.43Å; I91-V181 HydrophobicContact CB-CG1 4.47Å; I91-V181 HydrophobicContact CB-CG2 4.41Å; I91-V181 HydrophobicContact CD1-CG2 4.38Å; I91-V181 CarbonylContact O-C 3.58Å; I91-V181 WeakPolarHBondContact O-CA 3.36Å; I91-I182 PolarHBondContact O-N 2.91Å; I91-M211 CarbonylContact C-O 3.56Å; I91-M211 WeakPolarHBondContact CA-O 3.41Å; I91-M211 HydrophobicContact CG1-CB 4.38Å; I91-M211 HydrophobicContact CG2-CB 4.44Å; I91-I213 HydrophobicContact CG2-CD1 3.63Å; I91-I213 HydrophobicContact CG2-CG1 3.98Å; I91-I309 HydrophobicContact CD1-CB 4.4Å; I91-I309 HydrophobicContact CD1-CD1 4.28Å; I91-I309 HydrophobicContact CD1-CG1 3.95Å; I91-I309 HydrophobicContact CD1-CG2 3.74Å; I91-L312 HydrophobicContact CD1-CD1 3.65Å; I91-L312 HydrophobicContact CG1-CD1 3.54Å
92L96.1Very high88.5Confident0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-101.4120.6175178.563.4000110.2L94 I182 M184 L205 V206 V209 M211 V212 I213L92-L94 HydrophobicContact CD1-CD2 3.96Å; L92-L94 HydrophobicContact CD1-CG 4.43Å; L92-L94 HydrophobicContact CD2-CD1 3.84Å; L92-L94 HydrophobicContact CD2-CD2 4.05Å; L92-L94 HydrophobicContact CD2-CG 4.02Å; L92-L94 HydrophobicContact CG-CD1 4.19Å; L92-L94 HydrophobicContact CG-CD2 3.87Å; L92-L94 HydrophobicContact CG-CG 3.82Å; L92-I182 HydrophobicContact CD1-CB 3.72Å; L92-I182 HydrophobicContact CD1-CD1 4.16Å; L92-I182 HydrophobicContact CD1-CG2 3.72Å; L92-M184 HydrophobicContact CD1-CG 3.57Å; L92-L205 HydrophobicContact CD2-CB 4.07Å; L92-V206 HydrophobicContact CD2-CG2 3.65Å; L92-V209 HydrophobicContact CB-CB 4.22Å; L92-V209 HydrophobicContact CB-CG1 4.03Å; L92-V209 HydrophobicContact CB-CG2 3.79Å; L92-V209 HydrophobicContact CD2-CG2 4.28Å; L92-M211 PolarHBondContact N-O 3.27Å; L92-V212 HydrophobicContact CD2-CG2 4.49Å; L92-V212 CarbonylContact O-C 3.45Å; L92-V212 WeakPolarHBondContact O-CA 3.29Å; L92-I213 PolarHBondContact O-N 2.78Å
93V96.1Very high89.1Confident0 Ų023.8 Ų23.80%014%0.14CC..EExtended strand (participates in β ladder)trans-101.4117.3177.5-175.80000109.6I91 K101 L104 V105 V181 I182 M184 I213 V215I91-V93 HydrophobicContact CG2-CG2 4.38Å; V93-K101 HydrophobicContact CG1-CB 3.73Å; V93-K101 HydrophobicContact CG1-CD 4.34Å; V93-K101 HydrophobicContact CG1-CG 3.84Å; V93-L104 HydrophobicContact CG1-CD2 4.43Å; V93-V105 HydrophobicContact CB-CG2 4.12Å; V93-V105 HydrophobicContact CG1-CG2 4.34Å; V93-V105 HydrophobicContact CG2-CG2 3.8Å; V93-V181 HydrophobicContact CG2-CG1 3.85Å; V93-I182 PolarHBondContact N-O 3.1Å; V93-M184 WeakPolarHBondContact O-CB 3.35Å; V93-M184 PolarHBondContact O-N 2.94Å; V93-I213 WeakPolarHBondContact CA-O 3.36Å; V93-V215 HydrophobicContact CG1-CG2 3.72Å
94L92.4Very high89.7Confident0 Ų022 Ų220%013%0.128CC..EExtended strand (participates in β ladder)trans-122.8162.7-175.6-62.3178.1000111.6L92 K101 M184 F188 V202 V206 V212 I213 F214 V215L92-L94 HydrophobicContact CD1-CD2 3.96Å; L92-L94 HydrophobicContact CD1-CG 4.43Å; L92-L94 HydrophobicContact CD2-CD1 3.84Å; L92-L94 HydrophobicContact CD2-CD2 4.05Å; L92-L94 HydrophobicContact CD2-CG 4.02Å; L92-L94 HydrophobicContact CG-CD1 4.19Å; L92-L94 HydrophobicContact CG-CD2 3.87Å; L92-L94 HydrophobicContact CG-CG 3.82Å; L94-K101 VanDerWaalsContact C-CD 3.41Å; L94-M184 HydrophobicContact CD2-CB 3.74Å; L94-M184 HydrophobicContact CD2-CG 3.62Å; L94-F188 HydrophobicContact CB-CZ 4.02Å; L94-F188 HydrophobicContact CD2-CE1 4.45Å; L94-F188 HydrophobicContact CD2-CE2 4.26Å; L94-F188 HydrophobicContact CD2-CZ 3.86Å; L94-F188 HydrophobicContact CG-CZ 4.44Å; L94-V202 HydrophobicContact CD1-CG1 3.77Å; L94-V202 HydrophobicContact CD2-CG1 4.27Å; L94-V206 HydrophobicContact CD1-CG2 4.43Å; L94-V212 HydrophobicContact CD1-CG1 3.72Å; L94-V212 HydrophobicContact CG-CG1 4.32Å; L94-I213 PolarHBondContact N-O 3.07Å; L94-F214 HydrophobicContact CB-CD2 4.13Å; L94-F214 HydrophobicContact CB-CE2 4.28Å; L94-V215 PolarHBondContact O-N 2.91Å
95G89.7Confident90.4Very high0 Ų021.5 Ų21.50%013%0.126CC..  trans136.8166.6172.500000114.3K101 G186G95-K101 WeakPolarHBondContact O-CD 3.32Å; G95-K101 VanDerWaalsContact O-CE 3.23Å; G95-K101 WeakPolarHBondContact O-CE 3.35Å; G95-K101 PolarHBondContact O-NZ 2.92Å; G95-G186 WeakPolarHBondContact O-CA 3.41Å
96P86.8Confident91Very high25 Ų2524.4 Ų24.416%0.16214%0.14CC..SBendtrans-56.4164.3-175.4-25.433.3000114.5T99 K101 M189 L216P96-T99 HydrophobicContact CB-CG2 3.92Å; P96-T99 HydrophobicContact CG-CG2 4.28Å; P96-T99 WeakPolarHBondContact O-CG2 3.46Å; P96-T99 PolarHBondContact O-OG1 3.32Å; P96-T99 VanDerWaalsContact O-OG1 3.05Å; P96-K101 PolarHBondContact O-NZ 3.28Å; P96-M189 HydrophobicContact CG-SD 4.12Å; P96-L216 HydrophobicContact CG-CD2 4.28Å
97P85.3Confident91.7Very high44 Ų4420 Ų2029%0.28612%0.117SC..THydrogen-bonded Turntrans-54.8150.2172.9-22.133.4000112.3T99 G186 K187 E190P97-T99 PolarHBondContact O-N 3.25Å; P97-G186 WeakPolarHBondContact CD-O 3.47Å; P97-K187 HydrophobicContact CG-CG 4.43Å; P97-E190 HydrophobicContact CG-CG 4.41Å; P97-E190 WeakPolarHBondContact CG-OE1 3.31Å
98C85.9Confident92.3Very high70 Ų7019.7 Ų19.747%0.47312%0.115SC..THydrogen-bonded Turntrans59.218.6173.3-52.50000116.2A120 K247C98-A120 PolarHBondContact SG-O 2.75Å; C98-K247 VanDerWaalsContact O-CE 3.32Å; C98-K247 WeakPolarHBondContact O-CE 3.36Å; C98-K247 PolarHBondContact O-NZ 2.66Å
99T90.4Very high92.6Very high6 Ų617.3 Ų17.34%0.03710%0.1CC..SBendtrans-83.7-7.7173.959.80000114.4P96 P97 V215 D217 N246P96-T99 HydrophobicContact CB-CG2 3.92Å; P96-T99 HydrophobicContact CG-CG2 4.28Å; P96-T99 WeakPolarHBondContact O-CG2 3.46Å; P96-T99 PolarHBondContact O-OG1 3.32Å; P96-T99 VanDerWaalsContact O-OG1 3.05Å; P97-T99 PolarHBondContact O-N 3.25Å; T99-V215 WeakPolarHBondContact CB-O 3.46Å; T99-V215 WeakPolarHBondContact O-CG1 3.03Å; T99-V215 PolarHBondContact OG1-O 3.25Å; T99-D217 HydrophobicContact CG2-CB 4.24Å; T99-N246 PolarHBondContact O-ND2 2.72Å
100G91.7Very high92.6Very high14 Ų1420.2 Ų20.214%0.14413%0.131CC..SBendtrans95.418.2179.300000115.5T102 T103 L104G100-T102 PolarHBondContact O-N 3.43Å; G100-T103 WeakPolarHBondContact O-CB 3.48Å; G100-T103 PolarHBondContact O-N 3.43Å; G100-L104 WeakPolarHBondContact O-CB 3.48Å; G100-L104 PolarHBondContact O-N 3.32Å
101K93.6Very high92.5Very high11 Ų1120.7 Ų20.75%0.04813%0.134CC..Hα-helixtrans-50.3-55.9175-66.8-178-57.5-60.40113.6V93 L94 G95 P96 T103 L104 V105 M184 V215V93-K101 HydrophobicContact CG1-CB 3.73Å; V93-K101 HydrophobicContact CG1-CD 4.34Å; V93-K101 HydrophobicContact CG1-CG 3.84Å; L94-K101 VanDerWaalsContact C-CD 3.41Å; G95-K101 WeakPolarHBondContact O-CD 3.32Å; G95-K101 VanDerWaalsContact O-CE 3.23Å; G95-K101 WeakPolarHBondContact O-CE 3.35Å; G95-K101 PolarHBondContact O-NZ 2.92Å; P96-K101 PolarHBondContact O-NZ 3.28Å; K101-T103 VanDerWaalsContact C-N 3.29Å; K101-T103 PolarHBondContact O-N 3.22Å; K101-L104 CarbonylContact O-C 3.5Å; K101-L104 WeakPolarHBondContact O-CA 3.44Å; K101-L104 WeakPolarHBondContact O-CB 3.35Å; K101-L104 PolarHBondContact O-N 3.37Å; K101-L104 VanDerWaalsContact O-N 3.07Å; K101-V105 WeakPolarHBondContact O-CG2 3.44Å; K101-V105 PolarHBondContact O-N 3.44Å; K101-M184 WeakPolarHBondContact CE-O 3.25Å; K101-V215 HydrophobicContact CG-CB 3.86Å; K101-V215 HydrophobicContact CG-CG2 4.02Å
102T93.7Very high92.4Very high17 Ų1723.2 Ų23.210%0.10415%0.152CC..Hα-helixtrans-62.3-38.1-178.8-51.30000111.5G100 V105 Q106 Y113 M116 I118 D183G100-T102 PolarHBondContact O-N 3.43Å; T102-V105 PolarHBondContact O-N 3.04Å; T102-Q106 PolarHBondContact O-N 2.68Å; T102-Y113 WeakPolarHBondContact CG2-OH 3.29Å; T102-M116 HydrophobicContact CG2-CG 3.41Å; T102-M116 VanDerWaalsContact CG2-CG 3.41Å; T102-M116 HydrophobicContact CG2-SD 4.33Å; T102-I118 HydrophobicContact CG2-CD1 4.16Å; T102-I118 HydrophobicContact CG2-CG1 3.52Å; T102-D183 PolarHBondContact OG1-OD2 3.31Å
103T94.1Very high92.1Very high31 Ų3123.8 Ų23.819%0.1915%0.154CC..Hα-helixtrans-62.8-43.9172.2-48.70000111.6G100 K101 V105 Q106 Y107 W285G100-T103 WeakPolarHBondContact O-CB 3.48Å; G100-T103 PolarHBondContact O-N 3.43Å; K101-T103 VanDerWaalsContact C-N 3.29Å; K101-T103 PolarHBondContact O-N 3.22Å; T103-V105 PolarHBondContact O-N 3.2Å; T103-Q106 PolarHBondContact O-N 2.84Å; T103-Y107 WeakPolarHBondContact O-CB 3.25Å; T103-Y107 PolarHBondContact O-N 3.44Å; T103-W285 HydrophobicContact CG2-CB 3.83Å
104L95.6Very high91.7Very high0 Ų029.2 Ų29.20%018%0.179CC..Hα-helixtrans-62.5-42.3175.1177.768.3000111.1V93 G100 K101 Q106 Y107 I108 I213 V215 F284 L305V93-L104 HydrophobicContact CG1-CD2 4.43Å; G100-L104 WeakPolarHBondContact O-CB 3.48Å; G100-L104 PolarHBondContact O-N 3.32Å; K101-L104 CarbonylContact O-C 3.5Å; K101-L104 WeakPolarHBondContact O-CA 3.44Å; K101-L104 WeakPolarHBondContact O-CB 3.35Å; K101-L104 PolarHBondContact O-N 3.37Å; K101-L104 VanDerWaalsContact O-N 3.07Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.3Å; L104-Y107 HydrophobicContact CD1-CD1 4.38Å; L104-Y107 WeakPolarHBondContact O-CB 3.36Å; L104-Y107 PolarHBondContact O-N 3.47Å; L104-Y107 VanDerWaalsContact O-N 3.16Å; L104-I108 HydrophobicContact CD1-CG2 3.84Å; L104-I108 HydrophobicContact CG-CG2 4.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 WeakPolarHBondContact O-CG2 3.45Å; L104-I108 PolarHBondContact O-N 2.88Å; L104-I213 HydrophobicContact CD2-CG2 3.72Å; L104-V215 HydrophobicContact CD2-CG2 3.46Å; L104-V215 VanDerWaalsContact CD2-CG2 3.46Å; L104-F284 HydrophobicContact CD1-CB 3.51Å; L104-F284 HydrophobicContact CD1-CD1 3.91Å; L104-F284 HydrophobicContact CD1-CG 3.91Å; L104-L305 HydrophobicContact CD1-CD2 4.16Å
105V95.3Very high91.3Very high0 Ų031 Ų310%020%0.197CC..Hα-helixtrans-59.6-46.2175.8174.90000110.5V93 K101 T102 T103 Y107 T109 Y113 V130 V181 D183V93-V105 HydrophobicContact CB-CG2 4.12Å; V93-V105 HydrophobicContact CG1-CG2 4.34Å; V93-V105 HydrophobicContact CG2-CG2 3.8Å; K101-V105 WeakPolarHBondContact O-CG2 3.44Å; K101-V105 PolarHBondContact O-N 3.44Å; T102-V105 PolarHBondContact O-N 3.04Å; T103-V105 PolarHBondContact O-N 3.2Å; V105-Y107 VanDerWaalsContact C-N 3.32Å; V105-Y107 PolarHBondContact O-N 2.94Å; V105-T109 HydrophobicContact CG1-CG2 4.27Å; V105-T109 VanDerWaalsContact O-CB 3.32Å; V105-T109 WeakPolarHBondContact O-CB 3.43Å; V105-T109 VanDerWaalsContact O-CG2 3.25Å; V105-T109 WeakPolarHBondContact O-CG2 3.38Å; V105-T109 PolarHBondContact O-N 3.3Å; V105-T109 PolarHBondContact O-OG1 3.14Å; V105-Y113 HydrophobicContact CB-CE1 4.27Å; V105-Y113 HydrophobicContact CG1-CD1 4.26Å; V105-Y113 HydrophobicContact CG1-CE1 3.59Å; V105-V130 HydrophobicContact CG1-CG2 4.15Å; V105-V181 HydrophobicContact CB-CG1 4.45Å; V105-V181 HydrophobicContact CG1-CB 4.38Å; V105-V181 HydrophobicContact CG1-CG1 3.97Å; V105-V181 HydrophobicContact CG2-CG1 3.81Å; V105-D183 HydrophobicContact CG2-CB 4.04Å
106Q94.7Very high91.2Very high72 Ų7233.2 Ų33.234%0.33621%0.208SC..Hα-helixtrans-60.5-42.7174.7-176.5-178.67.600111.7T102 T103 L104 G110 T111 M116T102-Q106 PolarHBondContact O-N 2.68Å; T103-Q106 PolarHBondContact O-N 2.84Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.3Å; Q106-G110 WeakPolarHBondContact O-CA 3.43Å; Q106-G110 PolarHBondContact O-N 2.87Å; Q106-T111 PolarHBondContact O-N 2.96Å; Q106-M116 HydrophobicContact CB-SD 4.09Å; Q106-M116 HydrophobicContact CG-SD 4.36Å
107Y94.4Very high91Very high55 Ų5534.8 Ų34.822%0.21622%0.219CC..Hα-helixtrans-62.7-51.4179.6178.1-98.1000111.8T103 L104 V105 T109 G110 F284 Q302 L306T103-Y107 WeakPolarHBondContact O-CB 3.25Å; T103-Y107 PolarHBondContact O-N 3.44Å; L104-Y107 HydrophobicContact CD1-CD1 4.38Å; L104-Y107 WeakPolarHBondContact O-CB 3.36Å; L104-Y107 PolarHBondContact O-N 3.47Å; L104-Y107 VanDerWaalsContact O-N 3.16Å; V105-Y107 VanDerWaalsContact C-N 3.32Å; V105-Y107 PolarHBondContact O-N 2.94Å; Y107-T109 PolarHBondContact O-N 3.16Å; Y107-G110 PolarHBondContact O-N 3.18Å; Y107-F284 HydrophobicContact CD1-CB 4.47Å; Y107-F284 HydrophobicContact CE1-CD1 4.45Å; Y107-Q302 PolarHBondContact OH-OE1 2.91Å; Y107-L306 HydrophobicContact CE1-CD1 4.22Å; Y107-L306 HydrophobicContact CE1-CD2 4.18Å; Y107-L306 HydrophobicContact CE1-CG 4.39Å
108I94.2Very high90.7Very high8 Ų836.5 Ų36.54%0.04123%0.225CC..Hα-helixtrans-73.2-27.1-178.270-177.9000113L104 Y179 V181 L306 I309L104-I108 HydrophobicContact CD1-CG2 3.84Å; L104-I108 HydrophobicContact CG-CG2 4.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 WeakPolarHBondContact O-CG2 3.45Å; L104-I108 PolarHBondContact O-N 2.88Å; I108-Y179 PolarHBondContact O-OH 2.89Å; I108-V181 HydrophobicContact CD1-CG1 4.14Å; I108-V181 HydrophobicContact CD1-CG2 4.08Å; I108-L306 HydrophobicContact CG2-CD2 4.23Å; I108-I309 HydrophobicContact CB-CD1 4.01Å; I108-I309 HydrophobicContact CD1-CD1 4.19Å; I108-I309 HydrophobicContact CG2-CD1 3.74Å
109T93.3Very high90.1Very high2 Ų236.2 Ų36.21%0.01222%0.223CC..Hα-helixtrans-89.3-16.1177.261.30000112.6V105 Y107 T111 N173 L176 V181V105-T109 HydrophobicContact CG1-CG2 4.27Å; V105-T109 VanDerWaalsContact O-CB 3.32Å; V105-T109 WeakPolarHBondContact O-CB 3.43Å; V105-T109 VanDerWaalsContact O-CG2 3.25Å; V105-T109 WeakPolarHBondContact O-CG2 3.38Å; V105-T109 PolarHBondContact O-N 3.3Å; V105-T109 PolarHBondContact O-OG1 3.14Å; Y107-T109 PolarHBondContact O-N 3.16Å; T109-T111 PolarHBondContact O-N 3.48Å; T109-T111 PolarHBondContact OG1-O 3.35Å; T109-N173 PolarHBondContact O-ND2 3.4Å; T109-L176 HydrophobicContact CG2-CD2 3.79Å; T109-V181 HydrophobicContact CG2-CB 4.41Å; T109-V181 HydrophobicContact CG2-CG2 3.75Å
110G92.4Very high88.9Confident65 Ų6540 Ų4067%0.6726%0.256SS*.THydrogen-bonded Turntrans63.815.1-174.300000113.9Q106 Y107Q106-G110 WeakPolarHBondContact O-CA 3.43Å; Q106-G110 PolarHBondContact O-N 2.87Å; Y107-G110 PolarHBondContact O-N 3.18Å
111T91.5Very high87.5Confident15 Ų1546.2 Ų46.29%0.09229%0.285CS..SBendtrans-144.2145.1-179.9-176.90000112.2Q106 T109 N171 N173 L176Q106-T111 PolarHBondContact O-N 2.96Å; T109-T111 PolarHBondContact O-N 3.48Å; T109-T111 PolarHBondContact OG1-O 3.35Å; T111-N171 PolarHBondContact OG1-ND2 3.44Å; T111-N171 VanDerWaalsContact OG1-ND2 3.12Å; T111-N171 PolarHBondContact OG1-OD1 3.31Å; T111-N173 WeakPolarHBondContact CB-ND2 3.21Å; T111-N173 HydrophobicContact CG2-CB 3.97Å; T111-N173 WeakPolarHBondContact CG2-ND2 3.23Å; T111-L176 HydrophobicContact CG2-CD1 4.48Å
112S92.6Very high85.8Confident53 Ų5346.8 Ų46.837%0.37129%0.293SS..  trans-69.6150.515957.30000110.3M116 N171S112-M116 VanDerWaalsContact CB-CE 3.5Å; S112-N171 PolarHBondContact O-ND2 2.84Å
113Y91.5Very high84.3Confident12 Ų1253.1 Ų53.15%0.04732%0.319CS..  trans-124.9162.2177.757.8-90.6000111.3T102 V105 G115 M116 F128 V130 S169 D183T102-Y113 WeakPolarHBondContact CG2-OH 3.29Å; V105-Y113 HydrophobicContact CB-CE1 4.27Å; V105-Y113 HydrophobicContact CG1-CD1 4.26Å; V105-Y113 HydrophobicContact CG1-CE1 3.59Å; Y113-G115 PolarHBondContact O-N 2.94Å; Y113-M116 HydrophobicContact CD1-CB 4.15Å; Y113-M116 HydrophobicContact CD1-CG 4.17Å; Y113-M116 HydrophobicContact CD1-SD 3.89Å; Y113-M116 HydrophobicContact CD2-CB 3.81Å; Y113-M116 HydrophobicContact CE1-CB 4.04Å; Y113-M116 HydrophobicContact CE1-CG 3.71Å; Y113-M116 HydrophobicContact CE1-SD 3.72Å; Y113-M116 HydrophobicContact CE2-CB 3.72Å; Y113-M116 HydrophobicContact CE2-CG 4.13Å; Y113-M116 HydrophobicContact CG-CB 4.04Å; Y113-M116 WeakPolarHBondContact O-CB 3.37Å; Y113-M116 PolarHBondContact O-N 2.81Å; Y113-F128 HydrophobicContact CD2-CB 4.4Å; Y113-F128 HydrophobicContact CD2-CG 4.44Å; Y113-F128 HydrophobicContact CE2-CB 3.86Å; Y113-F128 HydrophobicContact CE2-CD1 4.4Å; Y113-F128 HydrophobicContact CE2-CD2 4.21Å; Y113-F128 AromaticContact CE2-CG 3.91Å; Y113-F128 HydrophobicContact CE2-CG 3.91Å; Y113-V130 HydrophobicContact CD1-CG1 4.4Å; Y113-V130 HydrophobicContact CD1-CG2 3.71Å; Y113-V130 HydrophobicContact CD2-CG2 3.89Å; Y113-V130 HydrophobicContact CE1-CG2 3.96Å; Y113-V130 HydrophobicContact CE2-CG2 4.11Å; Y113-V130 HydrophobicContact CG-CG1 4.39Å; Y113-V130 HydrophobicContact CG-CG2 3.67Å; Y113-S169 WeakPolarHBondContact CB-OG 3.4Å; Y113-D183 VanDerWaalsContact OH-CG 3.29Å; Y113-D183 PolarHBondContact OH-OD2 2.82Å
114H86.7Confident83Confident113 Ų11352.9 Ų52.952%0.52332%0.315SS..THydrogen-bonded Turntrans-71.4131.8-175.9-172.9101.2000110.2M116 S138 S169H114-M116 VanDerWaalsContact C-N 3.28Å; H114-S138 WeakPolarHBondContact CD2-CB 3.41Å; H114-S169 PolarHBondContact N-OG 3.16Å; H114-S169 VanDerWaalsContact N-OG 3.1Å
115G84Confident82.1Confident37 Ų3755.1 Ų55.138%0.38133%0.329SS..THydrogen-bonded Turntrans82.51.2-174.300000114.6Y113 C117 F128Y113-G115 PolarHBondContact O-N 2.94Å; G115-C117 PolarHBondContact O-N 2.86Å; G115-F128 WeakPolarHBondContact O-CZ 3.11Å
116M87.2Confident81.7Confident48 Ų4859.3 Ų59.324%0.23635%0.347CS..  trans-61.3129.7170.9-170.3-179.481.200110.4T102 Q106 S112 Y113 H114 I118T102-M116 HydrophobicContact CG2-CG 3.41Å; T102-M116 VanDerWaalsContact CG2-CG 3.41Å; T102-M116 HydrophobicContact CG2-SD 4.33Å; Q106-M116 HydrophobicContact CB-SD 4.09Å; Q106-M116 HydrophobicContact CG-SD 4.36Å; S112-M116 VanDerWaalsContact CB-CE 3.5Å; Y113-M116 HydrophobicContact CD1-CB 4.15Å; Y113-M116 HydrophobicContact CD1-CG 4.17Å; Y113-M116 HydrophobicContact CD1-SD 3.89Å; Y113-M116 HydrophobicContact CD2-CB 3.81Å; Y113-M116 HydrophobicContact CE1-CB 4.04Å; Y113-M116 HydrophobicContact CE1-CG 3.71Å; Y113-M116 HydrophobicContact CE1-SD 3.72Å; Y113-M116 HydrophobicContact CE2-CB 3.72Å; Y113-M116 HydrophobicContact CE2-CG 4.13Å; Y113-M116 HydrophobicContact CG-CB 4.04Å; Y113-M116 WeakPolarHBondContact O-CB 3.37Å; Y113-M116 PolarHBondContact O-N 2.81Å; H114-M116 VanDerWaalsContact C-N 3.28Å; M116-I118 HydrophobicContact CE-CD1 3.92Å; M116-I118 HydrophobicContact CE-CG1 4.44Å; M116-I118 HydrophobicContact CG-CD1 4.46Å; M116-I118 HydrophobicContact CG-CG1 4.28Å; M116-I118 HydrophobicContact SD-CD1 4.12Å
117C82.6Confident81.5Confident58 Ų5855.9 Ų55.939%0.39233%0.331SS..  trans-133.8112.6175.5-170.30000109.7G115 A122G115-C117 PolarHBondContact O-N 2.86Å; C117-A122 HydrophobicContact CB-CB 4.32Å; C117-A122 VanDerWaalsContact SG-CB 3.6Å
118I79.8Confident81.4Confident80 Ų8053.6 Ų53.641%0.4132%0.322SS..  trans-113.291.3176.4-55.7175.2000107T102 M116T102-I118 HydrophobicContact CG2-CD1 4.16Å; T102-I118 HydrophobicContact CG2-CG1 3.52Å; M116-I118 HydrophobicContact CE-CD1 3.92Å; M116-I118 HydrophobicContact CE-CG1 4.44Å; M116-I118 HydrophobicContact CG-CD1 4.46Å; M116-I118 HydrophobicContact CG-CG1 4.28Å; M116-I118 HydrophobicContact SD-CD1 4.12Å
119S73.5Confident81.4Confident63 Ų6353.2 Ų53.244%0.44132%0.32SS..  trans-143.4157.2169.178.80000110.4D121 A122S119-D121 PolarHBondContact O-N 3.42Å; S119-A122 WeakPolarHBondContact O-CB 3.37Å; S119-A122 PolarHBondContact O-N 3.28Å; S119-A122 VanDerWaalsContact O-N 3.08Å; S119-A122 WeakPolarHBondContact OG-CA 3.33Å; S119-A122 VanDerWaalsContact OG-CB 3.26Å; S119-A122 WeakPolarHBondContact OG-CB 3.11Å; S119-A122 PolarHBondContact OG-N 2.98Å
120A65.4Low81.5Confident86 Ų8653.1 Ų53.171%0.71132%0.32SS*.THydrogen-bonded Turntrans-63.4-30.3177.500000112C98C98-A120 PolarHBondContact SG-O 2.75Å
121D61.2Low81.5Confident144 Ų14451 Ų5177%0.7729%0.293SS*.THydrogen-bonded Turntrans-89.7-2.7176.3-57.7-45.8000113S119 K123S119-D121 PolarHBondContact O-N 3.42Å; D121-K123 PolarHBondContact O-N 3.46Å
122A58.2Low81.7Confident24 Ų2452.8 Ų52.820%0.19830%0.3CS..  trans-67.296.6-177.200000109.6C117 S119 Q124C117-A122 HydrophobicContact CB-CB 4.32Å; C117-A122 VanDerWaalsContact SG-CB 3.6Å; S119-A122 WeakPolarHBondContact O-CB 3.37Å; S119-A122 PolarHBondContact O-N 3.28Å; S119-A122 VanDerWaalsContact O-N 3.08Å; S119-A122 WeakPolarHBondContact OG-CA 3.33Å; S119-A122 VanDerWaalsContact OG-CB 3.26Å; S119-A122 WeakPolarHBondContact OG-CB 3.11Å; S119-A122 PolarHBondContact OG-N 2.98Å; A122-Q124 PolarHBondContact O-N 3.23Å
123K61.1Low81.6Confident150 Ų15050.8 Ų50.865%0.65229%0.287SS*.  trans-7457.6165.4-70.8175.6176.7-179.10108.6D121 T125 K187D121-K123 PolarHBondContact O-N 3.46Å; K123-T125 WeakPolarHBondContact O-CG2 3.11Å; K123-T125 PolarHBondContact O-N 3.24Å; K123-K187 HydrophobicContact CB-CD 4.31Å; K123-K187 VanDerWaalsContact CB-NZ 3.33Å; K123-K187 VanDerWaalsContact CD-NZ 3.29Å; K123-K187 VanDerWaalsContact CG-CE 3.4Å
124Q68.5Low81.6Confident26 Ų2657.1 Ų57.112%0.12132%0.322CS..  trans-46.5113174.1-175.385.5-2600107.2A122 D183 P185A122-Q124 PolarHBondContact O-N 3.23Å; Q124-D183 PolarHBondContact NE2-OD2 2.95Å; Q124-P185 HydrophobicContact CG-CB 4.25Å; Q124-P185 WeakPolarHBondContact O-CB 3.32Å
125T75.3Confident81.9Confident47 Ų4756.1 Ų56.129%0.28832%0.324SS..  trans-110.5-13.5-173.958.50000112.3K123 K187 R193K123-T125 WeakPolarHBondContact O-CG2 3.11Å; K123-T125 PolarHBondContact O-N 3.24Å; T125-K187 HydrophobicContact CG2-CD 4.44Å; T125-R193 PolarHBondContact O-NH1 3.39Å; T125-R193 VanDerWaalsContact O-NH1 3.1Å
126K86.9Confident82.3Confident88 Ų8860.3 Ų60.338%0.38333%0.332SS..SBendtrans-106.5144.8-172.2-65.7174.4175.3-173.50109.1F128 S165 F167K126-F128 HydrophobicContact CB-CD2 4.33Å; K126-F128 HydrophobicContact CB-CE2 3.67Å; K126-F128 HydrophobicContact CB-CZ 4.01Å; K126-F128 HydrophobicContact CD-CZ 4.13Å; K126-S165 VanDerWaalsContact CA-O 3.24Å; K126-S165 WeakPolarHBondContact CA-O 2.95Å; K126-S165 WeakPolarHBondContact CB-O 3.46Å; K126-F167 HydrophobicContact CB-CD2 4.13Å; K126-F167 HydrophobicContact CB-CE2 4.41Å; K126-F167 HydrophobicContact CD-CD2 3.8Å; K126-F167 HydrophobicContact CD-CE2 3.5Å; K126-F167 VanDerWaalsContact CD-CE2 3.5Å; K126-F167 HydrophobicContact CD-CZ 4.18Å; K126-F167 HydrophobicContact CG-CD2 4.13Å; K126-F167 HydrophobicContact CG-CE2 3.91Å
127T90.4Very high82.5Confident0 Ų062.1 Ų62.10%034%0.342CS..EExtended strand (participates in β ladder)trans-90.7132.1170-62.20000108.6S165 C166 F167 I182 D183 M184 P185T127-S165 PolarHBondContact N-O 2.89Å; T127-C166 CarbonylContact O-C 3.59Å; T127-C166 WeakPolarHBondContact O-CA 3.5Å; T127-F167 PolarHBondContact O-N 2.95Å; T127-I182 HydrophobicContact CG2-CG2 3.57Å; T127-D183 WeakPolarHBondContact CA-O 3.35Å; T127-M184 HydrophobicContact CG2-CG 4.34Å; T127-M184 HydrophobicContact CG2-SD 3.42Å; T127-M184 WeakPolarHBondContact CG2-SD 3.42Å; T127-M184 PolarHBondContact OG1-SD 3.23Å; T127-P185 WeakPolarHBondContact OG1-CD 3.37Å
128F93Very high83Confident6 Ų660.7 Ų60.73%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-115.3125.9177.5-69.5-88000111Y113 G115 K126 F167 I182 D183Y113-F128 HydrophobicContact CD2-CB 4.4Å; Y113-F128 HydrophobicContact CD2-CG 4.44Å; Y113-F128 HydrophobicContact CE2-CB 3.86Å; Y113-F128 HydrophobicContact CE2-CD1 4.4Å; Y113-F128 HydrophobicContact CE2-CD2 4.21Å; Y113-F128 AromaticContact CE2-CG 3.91Å; Y113-F128 HydrophobicContact CE2-CG 3.91Å; G115-F128 WeakPolarHBondContact O-CZ 3.11Å; K126-F128 HydrophobicContact CB-CD2 4.33Å; K126-F128 HydrophobicContact CB-CE2 3.67Å; K126-F128 HydrophobicContact CB-CZ 4.01Å; K126-F128 HydrophobicContact CD-CZ 4.13Å; F128-F167 CarbonylContact C-O 3.53Å; F128-F167 VanDerWaalsContact CA-O 3.29Å; F128-F167 WeakPolarHBondContact CA-O 3.3Å; F128-F167 HydrophobicContact CD1-CB 3.72Å; F128-F167 HydrophobicContact CE1-CB 3.74Å; F128-F167 HydrophobicContact CE1-CG 4.23Å; F128-I182 CarbonylContact O-C 3.59Å; F128-I182 WeakPolarHBondContact O-CA 3.34Å; F128-D183 HydrophobicContact CB-CB 4.4Å; F128-D183 PolarHBondContact N-O 3.12Å; F128-D183 PolarHBondContact O-N 3.42Å
129V94.3Very high83.6Confident0 Ų058.1 Ų58.10%032%0.321CS..EExtended strand (participates in β ladder)trans-93.5104.5165.4-177.70000107.8I141 F152 F156 F167 C168 S169 V181 I182V129-I141 HydrophobicContact CB-CD1 4.38Å; V129-I141 HydrophobicContact CG2-CD1 3.64Å; V129-F152 HydrophobicContact CG1-CD2 3.88Å; V129-F152 HydrophobicContact CG1-CE2 3.71Å; V129-F156 HydrophobicContact CG2-CE2 3.87Å; V129-F156 HydrophobicContact CG2-CZ 3.41Å; V129-F156 VanDerWaalsContact CG2-CZ 3.41Å; V129-F167 PolarHBondContact N-O 3.43Å; V129-C168 CarbonylContact O-C 3.57Å; V129-C168 WeakPolarHBondContact O-CA 3.38Å; V129-S169 PolarHBondContact O-N 2.88Å; V129-V181 CarbonylContact C-O 3.58Å; V129-I182 HydrophobicContact CG2-CG1 4.34Å
130V95Very high84.5Confident0 Ų057.5 Ų57.50%032%0.315CS..EExtended strand (participates in β ladder)trans-85.9113.8175.5-1710000108V105 Y113 S169 L176 S180 V181V105-V130 HydrophobicContact CG1-CG2 4.15Å; Y113-V130 HydrophobicContact CD1-CG1 4.4Å; Y113-V130 HydrophobicContact CD1-CG2 3.71Å; Y113-V130 HydrophobicContact CD2-CG2 3.89Å; Y113-V130 HydrophobicContact CE1-CG2 3.96Å; Y113-V130 HydrophobicContact CE2-CG2 4.11Å; Y113-V130 HydrophobicContact CG-CG1 4.39Å; Y113-V130 HydrophobicContact CG-CG2 3.67Å; V130-S169 WeakPolarHBondContact CA-O 3.11Å; V130-L176 HydrophobicContact CG1-CD1 3.78Å; V130-L176 HydrophobicContact CG1-CD2 3.97Å; V130-S180 WeakPolarHBondContact O-CA 3.48Å; V130-V181 PolarHBondContact N-O 3.47Å; V130-V181 PolarHBondContact O-N 3.41Å
131M93.7Very high85.6Confident22 Ų2253.4 Ų53.411%0.10828%0.281CS..EExtended strand (participates in β ladder)trans-139.6165.1-178.268.4-179.7-66.700111.7F150 P151 F152 C168 S169 F170 N171 S180M131-F150 HydrophobicContact SD-CE2 4.46Å; M131-P151 HydrophobicContact CE-CG 3.88Å; M131-F152 HydrophobicContact CB-CE2 4.37Å; M131-F152 HydrophobicContact CE-CE2 3.93Å; M131-F152 HydrophobicContact SD-CD2 4.13Å; M131-F152 HydrophobicContact SD-CE2 3.64Å; M131-C168 VanDerWaalsContact CG-SG 3.53Å; M131-C168 PolarHBondContact SD-SG 3.18Å; M131-S169 PolarHBondContact N-O 2.89Å; M131-F170 HydrophobicContact CE-CE1 4.09Å; M131-F170 HydrophobicContact CG-CD1 3.83Å; M131-F170 HydrophobicContact CG-CE1 3.85Å; M131-F170 CarbonylContact O-C 3.6Å; M131-F170 WeakPolarHBondContact O-CA 3.43Å; M131-F170 HydrophobicContact SD-CD1 4.21Å; M131-F170 HydrophobicContact SD-CE1 3.6Å; M131-F170 HydrophobicContact SD-CZ 4.22Å; M131-N171 PolarHBondContact O-N 3.37Å; M131-S180 WeakPolarHBondContact CB-OG 3.34Å
132H94.1Very high86.9Confident52 Ų5248.3 Ų48.324%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-65.7139.2177.2178.5-87.4000111.1D134 N171 N173 L176 K177H132-D134 IonicContact CE1-OD1 2.85Å; H132-N171 WeakPolarHBondContact CA-O 3.4Å; H132-N173 PolarHBondContact CD2-O 3.19Å; H132-L176 HydrophobicContact CB-CB 3.92Å; H132-L176 WeakPolarHBondContact CB-O 3.33Å; H132-K177 HydrophobicContact CB-CG 4.27Å; H132-K177 WeakPolarHBondContact CD2-CG 3.48Å; H132-K177 WeakPolarHBondContact NE2-CE 3.43Å
133G92.1Very high88.2Confident10 Ų1051.5 Ų51.510%0.10328%0.276CS..  trans-159163.2163.400000110.3T135 N171 P172G133-T135 PolarHBondContact O-N 2.76Å; G133-N171 PolarHBondContact N-O 3.46Å; G133-N171 VanDerWaalsContact N-O 3.16Å; G133-N171 CarbonylContact O-C 3.56Å; G133-N171 VanDerWaalsContact O-C 3.22Å; G133-P172 WeakPolarHBondContact O-CA 3.48Å; G133-P172 WeakPolarHBondContact O-CB 3.42Å; G133-P172 VanDerWaalsContact O-N 3.11Å
134D91.5Very high89.4Confident146 Ų14645.4 Ų45.478%0.78125%0.251SS*.SBendtrans-67.7-21.4-172.1-55.4-39.8000112.9H132H132-D134 IonicContact CE1-OD1 2.85Å
135T91.5Very high89.9Confident92 Ų9246.3 Ų46.356%0.56426%0.258SS*.SBendtrans-135.8152.6-18059.50000111.4G133 L137 F170G133-T135 PolarHBondContact O-N 2.76Å; T135-L137 PolarHBondContact O-N 2.75Å; T135-L137 VanDerWaalsContact O-N 3.16Å; T135-F170 WeakPolarHBondContact O-CB 3.37Å
136K92.3Very high90.1Very high124 Ų12451.9 Ų51.954%0.53928%0.281SS..  trans-70.7107.1170.8-68.2-171-179.9-173.80109.9F170 N171 P172K136-F170 WeakPolarHBondContact CA-O 3.48Å; K136-N171 WeakPolarHBondContact CE-OD1 3.45Å; K136-P172 VanDerWaalsContact CG-CD 3.49Å; K136-P172 HydrophobicContact CG-CG 4.29Å
137L92.9Very high89.8Confident86 Ų8650.4 Ų50.445%0.4528%0.281SS..EExtended strand (participates in β ladder)trans-143.5144.2-177178.566.2000110.1T135 V139 S169 F170T135-L137 PolarHBondContact O-N 2.75Å; T135-L137 VanDerWaalsContact O-N 3.16Å; L137-V139 HydrophobicContact CD2-CG2 3.58Å; L137-V139 HydrophobicContact CG-CG2 3.73Å; L137-S169 CarbonylContact O-C 3.22Å; L137-S169 WeakPolarHBondContact O-CA 3.09Å; L137-F170 HydrophobicContact CB-CB 4.39Å; L137-F170 HydrophobicContact CB-CD2 4.37Å; L137-F170 PolarHBondContact N-O 3.41Å; L137-F170 PolarHBondContact O-N 2.82Å
138S93.1Very high89.1Confident29 Ų2960 Ų6020%0.20332%0.323CS..EExtended strand (participates in β ladder)trans-115.1129.9167.9-169.10000110.9H114 C168H114-S138 WeakPolarHBondContact CD2-CB 3.41Å; S138-C168 CarbonylContact C-O 3.51Å; S138-C168 VanDerWaalsContact CA-O 3.27Å; S138-C168 WeakPolarHBondContact CA-O 3.36Å
139V92Very high88.2Confident26 Ų2662.9 Ų62.916%0.15835%0.354CS..EExtended strand (participates in β ladder)trans-130.6133.6-179.5-171.90000109.2L137 I141 L144 C168 F170L137-V139 HydrophobicContact CD2-CG2 3.58Å; L137-V139 HydrophobicContact CG-CG2 3.73Å; V139-I141 PolarHBondContact O-N 3.43Å; V139-L144 HydrophobicContact CB-CD1 4.15Å; V139-L144 HydrophobicContact CB-CD2 4.35Å; V139-L144 HydrophobicContact CB-CG 4.25Å; V139-L144 HydrophobicContact CG1-CD1 4.29Å; V139-L144 HydrophobicContact CG1-CD2 3.88Å; V139-L144 HydrophobicContact CG1-CG 3.84Å; V139-C168 PolarHBondContact N-O 3.15Å; V139-C168 PolarHBondContact O-N 3.1Å; V139-F170 HydrophobicContact CB-CE2 4.36Å; V139-F170 HydrophobicContact CG2-CD2 4.34Å; V139-F170 HydrophobicContact CG2-CE2 3.99Å
140P91.1Very high87.6Confident49 Ų4963.3 Ų63.332%0.31836%0.356SS..EExtended strand (participates in β ladder)trans-56.5133.7170.9-22.432.3000111.5A142 T143 L144 F167P140-A142 PolarHBondContact O-N 2.96Å; P140-T143 WeakPolarHBondContact O-CB 3.42Å; P140-T143 PolarHBondContact O-N 3.26Å; P140-L144 PolarHBondContact O-N 2.82Å; P140-F167 HydrophobicContact CB-CE1 4.29Å; P140-F167 HydrophobicContact CG-CD1 4.25Å; P140-F167 HydrophobicContact CG-CE1 3.84Å
141I90.4Very high86.8Confident0 Ų065 Ų650%037%0.367CS..Hα-helixtrans-64.7-33.5-178.6-66.3-172.9000111.3V129 V139 T143 L144 T145 F150 F156 L163 C166 C168V129-I141 HydrophobicContact CB-CD1 4.38Å; V129-I141 HydrophobicContact CG2-CD1 3.64Å; V139-I141 PolarHBondContact O-N 3.43Å; I141-T143 PolarHBondContact O-N 2.89Å; I141-T143 VanDerWaalsContact O-N 3.1Å; I141-L144 WeakPolarHBondContact O-CA 3.46Å; I141-L144 PolarHBondContact O-N 3.47Å; I141-T145 HydrophobicContact CG2-CG2 4.4Å; I141-T145 PolarHBondContact O-N 3.44Å; I141-F150 HydrophobicContact CG1-CZ 4.49Å; I141-F150 HydrophobicContact CG2-CE1 3.99Å; I141-F150 HydrophobicContact CG2-CZ 4.08Å; I141-F156 HydrophobicContact CD1-CD2 4.08Å; I141-F156 HydrophobicContact CD1-CE1 4.01Å; I141-F156 HydrophobicContact CD1-CE2 3.32Å; I141-F156 HydrophobicContact CD1-CZ 3.32Å; I141-F156 HydrophobicContact CG2-CD2 3.91Å; I141-F156 HydrophobicContact CG2-CE2 4.17Å; I141-F156 HydrophobicContact CG2-CG 4.41Å; I141-L163 HydrophobicContact CG2-CD2 4.32Å; I141-C166 HydrophobicContact CB-CB 4.09Å; I141-C166 HydrophobicContact CD1-CB 3.68Å; I141-C166 HydrophobicContact CG1-CB 4.06Å; I141-C166 PolarHBondContact N-O 3.01Å; I141-C168 HydrophobicContact CG1-CB 4.16Å
142A86.8Confident86.2Confident38 Ų3864.1 Ų64.131%0.31436%0.363SS..Hα-helixtrans-56.2-25.417400000113.6P140 T145P140-A142 PolarHBondContact O-N 2.96Å; A142-T145 PolarHBondContact O-OG1 3.24Å
143T87.2Confident85.4Confident90 Ų9065.4 Ų65.455%0.55237%0.368SS*.Hα-helixtrans-81.8-32.3173.8-51.30000111.6P140 I141P140-T143 WeakPolarHBondContact O-CB 3.42Å; P140-T143 PolarHBondContact O-N 3.26Å; I141-T143 PolarHBondContact O-N 2.89Å; I141-T143 VanDerWaalsContact O-N 3.1Å
144L86.6Confident84.7Confident23 Ų2366.6 Ų66.612%0.1237%0.373CS..Hα-helixtrans-81.5-22.3-176-65.7176.8000114V139 P140 I141 H146 S147 F150 C168 F170V139-L144 HydrophobicContact CB-CD1 4.15Å; V139-L144 HydrophobicContact CB-CD2 4.35Å; V139-L144 HydrophobicContact CB-CG 4.25Å; V139-L144 HydrophobicContact CG1-CD1 4.29Å; V139-L144 HydrophobicContact CG1-CD2 3.88Å; V139-L144 HydrophobicContact CG1-CG 3.84Å; P140-L144 PolarHBondContact O-N 2.82Å; I141-L144 WeakPolarHBondContact O-CA 3.46Å; I141-L144 PolarHBondContact O-N 3.47Å; L144-H146 PolarHBondContact O-N 3.41Å; L144-H146 VanDerWaalsContact O-N 3.11Å; L144-S147 VanDerWaalsContact O-CB 3.31Å; L144-S147 WeakPolarHBondContact O-CB 3.43Å; L144-S147 PolarHBondContact O-N 3.11Å; L144-F150 HydrophobicContact CB-CB 4.35Å; L144-F150 HydrophobicContact CB-CD1 4.09Å; L144-F150 HydrophobicContact CB-CD2 3.87Å; L144-F150 HydrophobicContact CB-CE1 4.32Å; L144-F150 HydrophobicContact CB-CE2 4.13Å; L144-F150 HydrophobicContact CB-CG 3.85Å; L144-F150 HydrophobicContact CB-CZ 4.33Å; L144-F150 HydrophobicContact CD1-CD2 3.91Å; L144-F150 HydrophobicContact CD1-CE2 3.69Å; L144-F150 HydrophobicContact CD1-CZ 4.31Å; L144-F150 HydrophobicContact CG-CD2 4.44Å; L144-F150 WeakPolarHBondContact O-CB 3.36Å; L144-C168 HydrophobicContact CD1-CB 3.46Å; L144-C168 VanDerWaalsContact CD1-CB 3.46Å; L144-F170 HydrophobicContact CD1-CE2 4.15Å; L144-F170 HydrophobicContact CD1-CZ 4.04Å
145T78.8Confident84.2Confident45 Ų4559.8 Ų59.828%0.27634%0.336SS..THydrogen-bonded Turntrans-54.8-30.8178.645.70000112.8I141 A142I141-T145 HydrophobicContact CG2-CG2 4.4Å; I141-T145 PolarHBondContact O-N 3.44Å; A142-T145 PolarHBondContact O-OG1 3.24Å
146H78.1Confident83.7Confident163 Ų16356 Ų5676%0.75531%0.312SS*.THydrogen-bonded Turntrans-85.5-11.8177.7-59.9-72.7000114L144L144-H146 PolarHBondContact O-N 3.41Å; L144-H146 VanDerWaalsContact O-N 3.11Å
147S82.1Confident82.7Confident57 Ų5750.9 Ų50.940%0.39929%0.292SS..  trans-74.9133-179.5-179.50000111.3L144 G149 F150 K153L144-S147 VanDerWaalsContact O-CB 3.31Å; L144-S147 WeakPolarHBondContact O-CB 3.43Å; L144-S147 PolarHBondContact O-N 3.11Å; S147-G149 VanDerWaalsContact C-N 3.26Å; S147-G149 PolarHBondContact O-N 3.42Å; S147-F150 PolarHBondContact O-N 3.3Å; S147-K153 WeakPolarHBondContact O-CE 3.15Å; S147-K153 PolarHBondContact O-NZ 3.02Å
148K74.6Confident81.5Confident203 Ų20351 Ų5188%0.88330%0.296SS*.THydrogen-bonded Turntrans-59.8-34.2-178.1-71.6-173.4179.5-179.90112.9K153K148-K153 PolarHBondContact O-NZ 3.46Å; K148-K153 VanDerWaalsContact O-NZ 3.15Å
149G74.9Confident80.8Confident66 Ų6651.9 Ų51.968%0.6830%0.299SS*.THydrogen-bonded Turntrans-93.8-0.1-175.400000116.4S147 P151S147-G149 VanDerWaalsContact C-N 3.26Å; S147-G149 PolarHBondContact O-N 3.42Å; G149-P151 VanDerWaalsContact O-CD 3.3Å; G149-P151 WeakPolarHBondContact O-CD 3.47Å
150F81.8Confident80.2Confident8 Ų857 Ų574%0.03532%0.321CS..  trans-71.3118.6-179.2-174.7-120.7000110.5M131 I141 L144 S147 F152 K153M131-F150 HydrophobicContact SD-CE2 4.46Å; I141-F150 HydrophobicContact CG1-CZ 4.49Å; I141-F150 HydrophobicContact CG2-CE1 3.99Å; I141-F150 HydrophobicContact CG2-CZ 4.08Å; L144-F150 HydrophobicContact CB-CB 4.35Å; L144-F150 HydrophobicContact CB-CD1 4.09Å; L144-F150 HydrophobicContact CB-CD2 3.87Å; L144-F150 HydrophobicContact CB-CE1 4.32Å; L144-F150 HydrophobicContact CB-CE2 4.13Å; L144-F150 HydrophobicContact CB-CG 3.85Å; L144-F150 HydrophobicContact CB-CZ 4.33Å; L144-F150 HydrophobicContact CD1-CD2 3.91Å; L144-F150 HydrophobicContact CD1-CE2 3.69Å; L144-F150 HydrophobicContact CD1-CZ 4.31Å; L144-F150 HydrophobicContact CG-CD2 4.44Å; L144-F150 WeakPolarHBondContact O-CB 3.36Å; S147-F150 PolarHBondContact O-N 3.3Å; F150-F152 VanDerWaalsContact C-N 3.33Å; F150-F152 HydrophobicContact CD1-CB 4.44Å; F150-F152 HydrophobicContact CE1-CB 3.73Å; F150-F152 HydrophobicContact CE2-CB 4.31Å; F150-F152 AromaticContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CZ-CB 3.67Å; F150-F152 HydrophobicContact CZ-CD2 4.04Å; F150-F152 HydrophobicContact CZ-CG 4.37Å; F150-F152 PolarHBondContact O-N 2.89Å; F150-K153 HydrophobicContact CD1-CG 4.09Å; F150-K153 WeakPolarHBondContact O-CE 2.98Å; F150-K153 WeakPolarHBondContact O-CG 3.33Å
151P78.2Confident79.6Confident35 Ų3557 Ų5723%0.22733%0.325CS..THydrogen-bonded Turntrans-77.9-18.3-171.130.8-35.8000113.1T87 M131 G149T87-P151 HydrophobicContact CG2-CB 3.72Å; T87-P151 WeakPolarHBondContact CG2-O 3.44Å; M131-P151 HydrophobicContact CE-CG 3.88Å; G149-P151 VanDerWaalsContact O-CD 3.3Å; G149-P151 WeakPolarHBondContact O-CD 3.47Å
152F80.9Confident79.3Confident4 Ų457.1 Ų57.12%0.01833%0.325CS..THydrogen-bonded Turntrans-104.131-170.7-53.9-52.6000113.9T87 I90 V129 M131 F150 T154 L155 F156T87-F152 HydrophobicContact CG2-CD1 3.95Å; T87-F152 HydrophobicContact CG2-CE1 3.9Å; I90-F152 HydrophobicContact CD1-CD1 3.62Å; I90-F152 HydrophobicContact CD1-CE1 3.37Å; I90-F152 HydrophobicContact CD1-CZ 4.4Å; I90-F152 HydrophobicContact CG1-CD1 4.47Å; I90-F152 HydrophobicContact CG1-CE1 3.75Å; I90-F152 HydrophobicContact CG1-CZ 4.43Å; V129-F152 HydrophobicContact CG1-CD2 3.88Å; V129-F152 HydrophobicContact CG1-CE2 3.71Å; M131-F152 HydrophobicContact CB-CE2 4.37Å; M131-F152 HydrophobicContact CE-CE2 3.93Å; M131-F152 HydrophobicContact SD-CD2 4.13Å; M131-F152 HydrophobicContact SD-CE2 3.64Å; F150-F152 VanDerWaalsContact C-N 3.33Å; F150-F152 HydrophobicContact CD1-CB 4.44Å; F150-F152 HydrophobicContact CE1-CB 3.73Å; F150-F152 HydrophobicContact CE2-CB 4.31Å; F150-F152 AromaticContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CE2-CD2 3.98Å; F150-F152 HydrophobicContact CZ-CB 3.67Å; F150-F152 HydrophobicContact CZ-CD2 4.04Å; F150-F152 HydrophobicContact CZ-CG 4.37Å; F150-F152 PolarHBondContact O-N 2.89Å; F152-T154 VanDerWaalsContact C-N 3.28Å; F152-T154 PolarHBondContact O-N 3.45Å; F152-L155 HydrophobicContact CB-CB 3.79Å; F152-L155 HydrophobicContact CB-CD2 3.71Å; F152-L155 HydrophobicContact CB-CG 4.45Å; F152-L155 HydrophobicContact CD1-CD2 3.85Å; F152-L155 HydrophobicContact CG-CD2 3.81Å; F152-L155 WeakPolarHBondContact O-CB 3.41Å; F152-L155 PolarHBondContact O-N 3.01Å; F152-F156 HydrophobicContact CB-CE2 4.5Å
153K76.7Confident79.2Confident79 Ų7956.6 Ų56.634%0.34332%0.317SS..THydrogen-bonded Turntrans-58.9-39.3-178-73.2173.1-177.2176.50113.1S147 K148 F150S147-K153 WeakPolarHBondContact O-CE 3.15Å; S147-K153 PolarHBondContact O-NZ 3.02Å; K148-K153 PolarHBondContact O-NZ 3.46Å; K148-K153 VanDerWaalsContact O-NZ 3.15Å; F150-K153 HydrophobicContact CD1-CG 4.09Å; F150-K153 WeakPolarHBondContact O-CE 2.98Å; F150-K153 WeakPolarHBondContact O-CG 3.33Å
154T77.8Confident79Confident36 Ų3659.2 Ų59.222%0.22132%0.321CS..THydrogen-bonded Turntrans-88.9-14.5-178.944.40000113.7S81 D84 F152 F156 H204 R208S81-T154 WeakPolarHBondContact OG-CG2 3.07Å; S81-T154 PolarHBondContact OG-OG1 3.07Å; D84-T154 PolarHBondContact OD1-OG1 3.22Å; D84-T154 PolarHBondContact OD2-OG1 3.33Å; D84-T154 VanDerWaalsContact OD2-OG1 3.06Å; F152-T154 VanDerWaalsContact C-N 3.28Å; F152-T154 PolarHBondContact O-N 3.45Å; T154-F156 VanDerWaalsContact C-N 3.31Å; T154-F156 PolarHBondContact O-N 3.44Å; T154-H204 PolarHBondContact O-NE2 3.29Å; T154-R208 WeakPolarHBondContact O-CD 3.24Å; T154-R208 PolarHBondContact O-NE 2.87Å
155L81.6Confident79Confident2 Ų259 Ų591%0.0132%0.321CS..THydrogen-bonded Turntrans-62.1-40-176.8-176.961000111.8I90 F152 I182 H204 L205 R208 V209I90-L155 HydrophobicContact CD1-CD1 4.08Å; I90-L155 HydrophobicContact CD1-CD2 4.08Å; F152-L155 HydrophobicContact CB-CB 3.79Å; F152-L155 HydrophobicContact CB-CD2 3.71Å; F152-L155 HydrophobicContact CB-CG 4.45Å; F152-L155 HydrophobicContact CD1-CD2 3.85Å; F152-L155 HydrophobicContact CG-CD2 3.81Å; F152-L155 WeakPolarHBondContact O-CB 3.41Å; F152-L155 PolarHBondContact O-N 3.01Å; L155-I182 HydrophobicContact CD1-CD1 4.29Å; L155-I182 HydrophobicContact CD2-CD1 3.76Å; L155-I182 HydrophobicContact CG-CD1 4.33Å; L155-H204 PolarHBondContact O-CD2 3.42Å; L155-H204 VanDerWaalsContact O-CD2 3.22Å; L155-L205 HydrophobicContact CD1-CD2 3.96Å; L155-L205 HydrophobicContact CG-CD2 3.86Å; L155-L205 WeakPolarHBondContact O-CD2 3.42Å; L155-R208 HydrophobicContact CD1-CB 3.86Å; L155-V209 HydrophobicContact CD1-CG1 4.16Å
156F80Confident79.6Confident12 Ų1256.8 Ų56.85%0.05331%0.308CS..SBendtrans-93.6132.8-177.7-66.3-86.7000110.9V129 I141 F152 T154 F162 L163 C166 L205V129-F156 HydrophobicContact CG2-CE2 3.87Å; V129-F156 HydrophobicContact CG2-CZ 3.41Å; V129-F156 VanDerWaalsContact CG2-CZ 3.41Å; I141-F156 HydrophobicContact CD1-CD2 4.08Å; I141-F156 HydrophobicContact CD1-CE1 4.01Å; I141-F156 HydrophobicContact CD1-CE2 3.32Å; I141-F156 HydrophobicContact CD1-CZ 3.32Å; I141-F156 HydrophobicContact CG2-CD2 3.91Å; I141-F156 HydrophobicContact CG2-CE2 4.17Å; I141-F156 HydrophobicContact CG2-CG 4.41Å; F152-F156 HydrophobicContact CB-CE2 4.5Å; T154-F156 VanDerWaalsContact C-N 3.31Å; T154-F156 PolarHBondContact O-N 3.44Å; F156-F162 HydrophobicContact CD1-CD1 4.07Å; F156-F162 AromaticContact CD1-CE1 3.57Å; F156-F162 HydrophobicContact CD1-CE1 3.57Å; F156-F162 HydrophobicContact CD1-CZ 4.49Å; F156-F162 AromaticContact CE1-CE1 3.97Å; F156-F162 HydrophobicContact CE1-CE1 3.97Å; F156-F162 HydrophobicContact CE1-CZ 4.49Å; F156-L163 HydrophobicContact CB-CD2 3.35Å; F156-L163 HydrophobicContact CD1-CD2 4.43Å; F156-L163 HydrophobicContact CG-CD2 3.96Å; F156-C166 HydrophobicContact CD1-CB 4.3Å; F156-C166 HydrophobicContact CE1-CB 3.97Å; F156-C166 VanDerWaalsContact CE1-SG 3.58Å; F156-L205 HydrophobicContact CD1-CD2 4.43Å; F156-L205 HydrophobicContact CE1-CD2 4.3Å
157P71.8Confident80.2Confident18 Ų1850.7 Ų50.712%0.11728%0.279CS..  trans-65.5161.3173.728.3-33000110.3N159 F162 V201P157-N159 PolarHBondContact O-N 3.01Å; P157-F162 HydrophobicContact CG-CD1 4.2Å; P157-V201 HydrophobicContact CG-CB 4.1Å; P157-V201 HydrophobicContact CG-CG1 3.79Å; P157-V201 HydrophobicContact CG-CG2 3.83Å
158T67.9Low80.8Confident88 Ų8848 Ų4854%0.5426%0.26SS..SBendtrans-69.614.2179.549.80000114.6R78 E160R78-T158 VanDerWaalsContact CZ-CG2 3.48Å; R78-T158 VanDerWaalsContact NH2-CG2 3.29Å; R78-T158 PolarHBondContact NH2-OG1 3.06Å; T158-E160 PolarHBondContact O-N 3.17Å
159N77.2Confident81.7Confident47 Ų4738.3 Ų38.325%0.25122%0.218SC..  trans-70.2100.2172.9-176.9-29.3000108.6P157 A161 F162 L163 G195 V201P157-N159 PolarHBondContact O-N 3.01Å; N159-A161 PolarHBondContact O-N 2.81Å; N159-A161 WeakPolarHBondContact OD1-CB 3.35Å; N159-A161 PolarHBondContact OD1-N 3.23Å; N159-F162 HydrophobicContact CB-CB 3.91Å; N159-F162 WeakPolarHBondContact O-CB 3.19Å; N159-F162 PolarHBondContact O-N 3.24Å; N159-F162 VanDerWaalsContact O-N 3.11Å; N159-F162 PolarHBondContact OD1-N 3.05Å; N159-L163 WeakPolarHBondContact O-CG 3.45Å; N159-L163 PolarHBondContact O-N 3.14Å; N159-G195 PolarHBondContact ND2-O 3.42Å; N159-V201 HydrophobicContact CB-CG2 4.48Å
160E79.3Confident82.6Confident135 Ų13537.1 Ų37.163%0.63119%0.194SC*.Hα-helixtrans-58.9-35.5-179.3-66.6-168173.400113.1T158 F162 L163 K164T158-E160 PolarHBondContact O-N 3.17Å; E160-F162 VanDerWaalsContact C-N 3.33Å; E160-L163 PolarHBondContact O-N 2.88Å; E160-K164 WeakPolarHBondContact O-CG 3.32Å; E160-K164 PolarHBondContact O-N 3.14Å
161A80.1Confident83.2Confident48 Ų4836.9 Ų36.940%0.39719%0.194SC..Hα-helixtrans-65.4-39.9177.600000111N159N159-A161 PolarHBondContact O-N 2.81Å; N159-A161 WeakPolarHBondContact OD1-CB 3.35Å; N159-A161 PolarHBondContact OD1-N 3.23Å
162F83.1Confident83.9Confident2 Ų238.6 Ų38.61%0.00920%0.204CC..Hα-helixtrans-63.3-50.3172.1-171.5-123000111.2F156 P157 N159 E160 K164 S165 C166 M184 I196 C197 V201 L205F156-F162 HydrophobicContact CD1-CD1 4.07Å; F156-F162 AromaticContact CD1-CE1 3.57Å; F156-F162 HydrophobicContact CD1-CE1 3.57Å; F156-F162 HydrophobicContact CD1-CZ 4.49Å; F156-F162 AromaticContact CE1-CE1 3.97Å; F156-F162 HydrophobicContact CE1-CE1 3.97Å; F156-F162 HydrophobicContact CE1-CZ 4.49Å; P157-F162 HydrophobicContact CG-CD1 4.2Å; N159-F162 HydrophobicContact CB-CB 3.91Å; N159-F162 WeakPolarHBondContact O-CB 3.19Å; N159-F162 PolarHBondContact O-N 3.24Å; N159-F162 VanDerWaalsContact O-N 3.11Å; N159-F162 PolarHBondContact OD1-N 3.05Å; E160-F162 VanDerWaalsContact C-N 3.33Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 3.04Å; F162-S165 WeakPolarHBondContact O-CA 3.33Å; F162-S165 WeakPolarHBondContact O-CB 3.31Å; F162-S165 PolarHBondContact O-N 3.36Å; F162-S165 PolarHBondContact O-OG 2.91Å; F162-C166 PolarHBondContact O-N 3.4Å; F162-C166 PolarHBondContact O-SG 3.29Å; F162-M184 HydrophobicContact CE2-CE 4.15Å; F162-M184 HydrophobicContact CE2-SD 4.38Å; F162-M184 HydrophobicContact CZ-CE 4.08Å; F162-M184 HydrophobicContact CZ-SD 3.98Å; F162-I196 WeakPolarHBondContact CB-O 3.46Å; F162-I196 HydrophobicContact CD2-CG2 4.49Å; F162-I196 VanDerWaalsContact CD2-O 3.31Å; F162-I196 WeakPolarHBondContact CD2-O 3.31Å; F162-C197 HydrophobicContact CD2-CB 4.16Å; F162-C197 HydrophobicContact CE2-CB 4.19Å; F162-V201 HydrophobicContact CD1-CG1 3.54Å; F162-V201 HydrophobicContact CD2-CG1 4.04Å; F162-V201 HydrophobicContact CE1-CG1 3.4Å; F162-V201 VanDerWaalsContact CE1-CG1 3.4Å; F162-V201 HydrophobicContact CE2-CG1 3.96Å; F162-V201 HydrophobicContact CG-CG1 3.85Å; F162-V201 HydrophobicContact CZ-CG1 3.65Å; F162-L205 HydrophobicContact CE1-CD1 4.17Å; F162-L205 HydrophobicContact CZ-CD1 4.02Å
163L84.3Confident84.5Confident27 Ų2740 Ų4014%0.14121%0.212CC..Hα-helixtrans-56.5-40.2-178-74.5171.8000112.7I141 F156 N159 E160 S165 C166I141-L163 HydrophobicContact CG2-CD2 4.32Å; F156-L163 HydrophobicContact CB-CD2 3.35Å; F156-L163 HydrophobicContact CD1-CD2 4.43Å; F156-L163 HydrophobicContact CG-CD2 3.96Å; N159-L163 WeakPolarHBondContact O-CG 3.45Å; N159-L163 PolarHBondContact O-N 3.14Å; E160-L163 PolarHBondContact O-N 2.88Å; L163-S165 PolarHBondContact O-N 2.94Å; L163-C166 PolarHBondContact O-N 2.91Å; L163-C166 VanDerWaalsContact O-N 3.08Å
164K84.3Confident85.1Confident145 Ų14542.3 Ų42.363%0.6323%0.227SC*.Hα-helixtrans-64.2-24176-73.3173.3-175.7174.10113.4E160 F162E160-K164 WeakPolarHBondContact O-CG 3.32Å; E160-K164 PolarHBondContact O-N 3.14Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 3.04Å
165S86.2Confident85.7Confident18 Ų1841.7 Ų41.713%0.12623%0.226CC..THydrogen-bonded Turntrans-90.4-3.8175.674.90000113.9K126 T127 F162 L163K126-S165 VanDerWaalsContact CA-O 3.24Å; K126-S165 WeakPolarHBondContact CA-O 2.95Å; K126-S165 WeakPolarHBondContact CB-O 3.46Å; T127-S165 PolarHBondContact N-O 2.89Å; F162-S165 WeakPolarHBondContact O-CA 3.33Å; F162-S165 WeakPolarHBondContact O-CB 3.31Å; F162-S165 PolarHBondContact O-N 3.36Å; F162-S165 PolarHBondContact O-OG 2.91Å; L163-S165 PolarHBondContact O-N 2.94Å
166C89.8Confident86.3Confident0 Ų041.7 Ų41.70%023%0.226CC..EExtended strand (participates in β ladder)trans-100133.6-177.7-60.40000111.8T127 I141 F156 F162 L163T127-C166 CarbonylContact O-C 3.59Å; T127-C166 WeakPolarHBondContact O-CA 3.5Å; I141-C166 HydrophobicContact CB-CB 4.09Å; I141-C166 HydrophobicContact CD1-CB 3.68Å; I141-C166 HydrophobicContact CG1-CB 4.06Å; I141-C166 PolarHBondContact N-O 3.01Å; F156-C166 HydrophobicContact CD1-CB 4.3Å; F156-C166 HydrophobicContact CE1-CB 3.97Å; F156-C166 VanDerWaalsContact CE1-SG 3.58Å; F162-C166 PolarHBondContact O-N 3.4Å; F162-C166 PolarHBondContact O-SG 3.29Å; L163-C166 PolarHBondContact O-N 2.91Å; L163-C166 VanDerWaalsContact O-N 3.08Å
167F92.6Very high86.7Confident34 Ų3446.8 Ų46.815%0.14925%0.248CC..EExtended strand (participates in β ladder)trans-126.6140.7-179.5-69.6-101.3000109.5K126 T127 F128 V129 P140K126-F167 HydrophobicContact CB-CD2 4.13Å; K126-F167 HydrophobicContact CB-CE2 4.41Å; K126-F167 HydrophobicContact CD-CD2 3.8Å; K126-F167 HydrophobicContact CD-CE2 3.5Å; K126-F167 VanDerWaalsContact CD-CE2 3.5Å; K126-F167 HydrophobicContact CD-CZ 4.18Å; K126-F167 HydrophobicContact CG-CD2 4.13Å; K126-F167 HydrophobicContact CG-CE2 3.91Å; T127-F167 PolarHBondContact O-N 2.95Å; F128-F167 CarbonylContact C-O 3.53Å; F128-F167 VanDerWaalsContact CA-O 3.29Å; F128-F167 WeakPolarHBondContact CA-O 3.3Å; F128-F167 HydrophobicContact CD1-CB 3.72Å; F128-F167 HydrophobicContact CE1-CB 3.74Å; F128-F167 HydrophobicContact CE1-CG 4.23Å; V129-F167 PolarHBondContact N-O 3.43Å; P140-F167 HydrophobicContact CB-CE1 4.29Å; P140-F167 HydrophobicContact CG-CD1 4.25Å; P140-F167 HydrophobicContact CG-CE1 3.84Å
168C93.2Very high87.6Confident0 Ų050.7 Ų50.70%027%0.265CS..EExtended strand (participates in β ladder)trans-95.1123.2167.6-174.40000108.2V129 M131 S138 V139 I141 L144 F170V129-C168 CarbonylContact O-C 3.57Å; V129-C168 WeakPolarHBondContact O-CA 3.38Å; M131-C168 VanDerWaalsContact CG-SG 3.53Å; M131-C168 PolarHBondContact SD-SG 3.18Å; S138-C168 CarbonylContact C-O 3.51Å; S138-C168 VanDerWaalsContact CA-O 3.27Å; S138-C168 WeakPolarHBondContact CA-O 3.36Å; V139-C168 PolarHBondContact N-O 3.15Å; V139-C168 PolarHBondContact O-N 3.1Å; I141-C168 HydrophobicContact CG1-CB 4.16Å; L144-C168 HydrophobicContact CD1-CB 3.46Å; L144-C168 VanDerWaalsContact CD1-CB 3.46Å; C168-F170 HydrophobicContact CB-CE2 4.15Å; C168-F170 HydrophobicContact CB-CZ 4.34Å; C168-F170 WeakPolarHBondContact SG-CZ 3.07Å
169S94.6Very high88.8Confident0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-104.2108.9170.7-172.60000109.3Y113 H114 V129 V130 M131 L137Y113-S169 WeakPolarHBondContact CB-OG 3.4Å; H114-S169 PolarHBondContact N-OG 3.16Å; H114-S169 VanDerWaalsContact N-OG 3.1Å; V129-S169 PolarHBondContact O-N 2.88Å; V130-S169 WeakPolarHBondContact CA-O 3.11Å; M131-S169 PolarHBondContact N-O 2.89Å; L137-S169 CarbonylContact O-C 3.22Å; L137-S169 WeakPolarHBondContact O-CA 3.09Å
170F94Very high89.6Confident42 Ų4245 Ų4518%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-77.6140.6170.7-61.7-79.9000110M131 T135 K136 L137 V139 L144 C168M131-F170 HydrophobicContact CE-CE1 4.09Å; M131-F170 HydrophobicContact CG-CD1 3.83Å; M131-F170 HydrophobicContact CG-CE1 3.85Å; M131-F170 CarbonylContact O-C 3.6Å; M131-F170 WeakPolarHBondContact O-CA 3.43Å; M131-F170 HydrophobicContact SD-CD1 4.21Å; M131-F170 HydrophobicContact SD-CE1 3.6Å; M131-F170 HydrophobicContact SD-CZ 4.22Å; T135-F170 WeakPolarHBondContact O-CB 3.37Å; K136-F170 WeakPolarHBondContact CA-O 3.48Å; L137-F170 HydrophobicContact CB-CB 4.39Å; L137-F170 HydrophobicContact CB-CD2 4.37Å; L137-F170 PolarHBondContact N-O 3.41Å; L137-F170 PolarHBondContact O-N 2.82Å; V139-F170 HydrophobicContact CB-CE2 4.36Å; V139-F170 HydrophobicContact CG2-CD2 4.34Å; V139-F170 HydrophobicContact CG2-CE2 3.99Å; L144-F170 HydrophobicContact CD1-CE2 4.15Å; L144-F170 HydrophobicContact CD1-CZ 4.04Å; C168-F170 HydrophobicContact CB-CE2 4.15Å; C168-F170 HydrophobicContact CB-CZ 4.34Å; C168-F170 WeakPolarHBondContact SG-CZ 3.07Å
171N93.8Very high90.4Very high3 Ų338.6 Ų38.62%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-148.9134.3177.9-159.9-53.5000110.9T111 S112 M131 H132 G133 K136 N173 L176T111-N171 PolarHBondContact OG1-ND2 3.44Å; T111-N171 VanDerWaalsContact OG1-ND2 3.12Å; T111-N171 PolarHBondContact OG1-OD1 3.31Å; S112-N171 PolarHBondContact O-ND2 2.84Å; M131-N171 PolarHBondContact O-N 3.37Å; H132-N171 WeakPolarHBondContact CA-O 3.4Å; G133-N171 PolarHBondContact N-O 3.46Å; G133-N171 VanDerWaalsContact N-O 3.16Å; G133-N171 CarbonylContact O-C 3.56Å; G133-N171 VanDerWaalsContact O-C 3.22Å; K136-N171 WeakPolarHBondContact CE-OD1 3.45Å; N171-N173 PolarHBondContact O-N 2.84Å; N171-L176 HydrophobicContact CB-CD1 3.7Å
172P93.5Very high91.1Very high70 Ų7036.3 Ų36.346%0.45518%0.182SC..  trans-79.658.1179.333.8-36.2000111.2G133 K136G133-P172 WeakPolarHBondContact O-CA 3.48Å; G133-P172 WeakPolarHBondContact O-CB 3.42Å; G133-P172 VanDerWaalsContact O-N 3.11Å; K136-P172 VanDerWaalsContact CG-CD 3.49Å; K136-P172 HydrophobicContact CG-CG 4.29Å
173N92.3Very high91.7Very high33 Ų3336.2 Ų36.218%0.17618%0.181CC..  trans-111.5131.1178.2-174.8-45.6000110.3T109 T111 H132 N171 A175 L176T109-N173 PolarHBondContact O-ND2 3.4Å; T111-N173 WeakPolarHBondContact CB-ND2 3.21Å; T111-N173 HydrophobicContact CG2-CB 3.97Å; T111-N173 WeakPolarHBondContact CG2-ND2 3.23Å; H132-N173 PolarHBondContact CD2-O 3.19Å; N171-N173 PolarHBondContact O-N 2.84Å; N173-A175 VanDerWaalsContact C-N 3.31Å; N173-A175 PolarHBondContact O-N 3.16Å; N173-A175 WeakPolarHBondContact OD1-CB 3.45Å; N173-A175 PolarHBondContact OD1-N 2.9Å; N173-L176 HydrophobicContact CB-CD1 4.09Å; N173-L176 HydrophobicContact CB-CG 4.3Å; N173-L176 PolarHBondContact O-N 3.5Å; N173-L176 VanDerWaalsContact O-N 3.14Å
174L90.2Very high91.9Very high128 Ų12835 Ų3567%0.6718%0.175SC*.G310 helixtrans-61.9-34.2-177.4-65.7177.1000113.5L176 K177L174-L176 PolarHBondContact O-N 3.14Å; L174-K177 HydrophobicContact CD2-CD 4.11Å; L174-K177 VanDerWaalsContact O-CB 3.32Å; L174-K177 WeakPolarHBondContact O-CB 3.41Å; L174-K177 PolarHBondContact O-N 2.69Å; L174-K177 VanDerWaalsContact O-N 3.09Å
175A89.9Confident92Very high24 Ų2428.5 Ų28.520%0.19815%0.148CC..G310 helixtrans-60.1-37.9176.800000111.2N173 K177 Q178 Y179N173-A175 VanDerWaalsContact C-N 3.31Å; N173-A175 PolarHBondContact O-N 3.16Å; N173-A175 WeakPolarHBondContact OD1-CB 3.45Å; N173-A175 PolarHBondContact OD1-N 2.9Å; A175-K177 PolarHBondContact O-N 2.72Å; A175-Q178 WeakPolarHBondContact O-CB 3.49Å; A175-Q178 PolarHBondContact O-N 3.3Å; A175-Y179 HydrophobicContact CB-CE1 4.33Å; A175-Y179 WeakPolarHBondContact O-CE1 3.34Å; A175-Y179 PolarHBondContact O-N 3.38Å
176L93.2Very high91.7Very high2 Ų227.8 Ų27.81%0.0114%0.143CC..G310 helixtrans-71.7-9.5179.7-62.3172.7000113.9T109 T111 V130 H132 N171 N173 L174 Y179T109-L176 HydrophobicContact CG2-CD2 3.79Å; T111-L176 HydrophobicContact CG2-CD1 4.48Å; V130-L176 HydrophobicContact CG1-CD1 3.78Å; V130-L176 HydrophobicContact CG1-CD2 3.97Å; H132-L176 HydrophobicContact CB-CB 3.92Å; H132-L176 WeakPolarHBondContact CB-O 3.33Å; N171-L176 HydrophobicContact CB-CD1 3.7Å; N173-L176 HydrophobicContact CB-CD1 4.09Å; N173-L176 HydrophobicContact CB-CG 4.3Å; N173-L176 PolarHBondContact O-N 3.5Å; N173-L176 VanDerWaalsContact O-N 3.14Å; L174-L176 PolarHBondContact O-N 3.14Å; L176-Y179 CarbonylContact C-O 3.52Å; L176-Y179 VanDerWaalsContact CA-O 3.25Å; L176-Y179 WeakPolarHBondContact CA-O 3.21Å; L176-Y179 VanDerWaalsContact O-O 3.11Å
177K90.2Very high90.7Very high118 Ų11829.5 Ų29.551%0.51315%0.151SC..G310 helixtrans-71.8-22.6168.3-65.1-174.5174.5179.90111.7H132 L174 A175H132-K177 HydrophobicContact CB-CG 4.27Å; H132-K177 WeakPolarHBondContact CD2-CG 3.48Å; H132-K177 WeakPolarHBondContact NE2-CE 3.43Å; L174-K177 HydrophobicContact CD2-CD 4.11Å; L174-K177 VanDerWaalsContact O-CB 3.32Å; L174-K177 WeakPolarHBondContact O-CB 3.41Å; L174-K177 PolarHBondContact O-N 2.69Å; L174-K177 VanDerWaalsContact O-N 3.09Å; A175-K177 PolarHBondContact O-N 2.72Å
178Q89.9Confident89.4Confident101 Ų10129.2 Ų29.247%0.47215%0.149SC..THydrogen-bonded Turntrans-95.1-32.1-176.9-63-176.4-4300112.2P89 A175 V313P89-Q178 WeakPolarHBondContact CD-O 3.31Å; A175-Q178 WeakPolarHBondContact O-CB 3.49Å; A175-Q178 PolarHBondContact O-N 3.3Å; Q178-V313 HydrophobicContact CB-CG2 3.98Å; Q178-V313 WeakPolarHBondContact O-CG2 3.25Å
179Y93.2Very high87.9Confident14 Ų1430.3 Ų30.36%0.05516%0.155CC..  trans-153160.1179.254.9-88.8000111.3P89 I91 I108 A175 L176 V181 I309P89-Y179 CarbonylContact O-C 3.54Å; P89-Y179 WeakPolarHBondContact O-CA 3.21Å; P89-Y179 WeakPolarHBondContact O-CB 3.36Å; I91-Y179 HydrophobicContact CD1-CD2 3.68Å; I91-Y179 HydrophobicContact CD1-CE2 4.14Å; I91-Y179 HydrophobicContact CD1-CG 4.16Å; I108-Y179 PolarHBondContact O-OH 2.89Å; A175-Y179 HydrophobicContact CB-CE1 4.33Å; A175-Y179 WeakPolarHBondContact O-CE1 3.34Å; A175-Y179 PolarHBondContact O-N 3.38Å; L176-Y179 CarbonylContact C-O 3.52Å; L176-Y179 VanDerWaalsContact CA-O 3.25Å; L176-Y179 WeakPolarHBondContact CA-O 3.21Å; L176-Y179 VanDerWaalsContact O-O 3.11Å; Y179-V181 HydrophobicContact CD2-CG2 3.75Å; Y179-V181 HydrophobicContact CE2-CG2 3.83Å; Y179-I309 HydrophobicContact CD1-CG2 4.03Å; Y179-I309 HydrophobicContact CD2-CG2 4.44Å; Y179-I309 HydrophobicContact CE1-CG2 3.71Å; Y179-I309 HydrophobicContact CE2-CG2 4.12Å; Y179-I309 HydrophobicContact CG-CG2 4.4Å
180S94.4Very high86.3Confident2 Ų234 Ų341%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-113.2151.6170.1-63.60000110.2T88 P89 I90 I91 V130 M131T88-S180 PolarHBondContact OG1-OG 3.1Å; P89-S180 PolarHBondContact O-N 3.04Å; I90-S180 WeakPolarHBondContact CA-O 3.2Å; I91-S180 PolarHBondContact N-O 3.43Å; V130-S180 WeakPolarHBondContact O-CA 3.48Å; M131-S180 WeakPolarHBondContact CB-OG 3.34Å
181V96.2Very high84.3Confident0 Ų035.7 Ų35.70%019%0.186CC..EExtended strand (participates in β ladder)trans-123.5131.4-178-171.60000110.3I91 V93 V105 I108 T109 V129 V130 Y179I91-V181 HydrophobicContact CB-CG1 4.47Å; I91-V181 HydrophobicContact CB-CG2 4.41Å; I91-V181 HydrophobicContact CD1-CG2 4.38Å; I91-V181 CarbonylContact O-C 3.58Å; I91-V181 WeakPolarHBondContact O-CA 3.36Å; V93-V181 HydrophobicContact CG2-CG1 3.85Å; V105-V181 HydrophobicContact CB-CG1 4.45Å; V105-V181 HydrophobicContact CG1-CB 4.38Å; V105-V181 HydrophobicContact CG1-CG1 3.97Å; V105-V181 HydrophobicContact CG2-CG1 3.81Å; I108-V181 HydrophobicContact CD1-CG1 4.14Å; I108-V181 HydrophobicContact CD1-CG2 4.08Å; T109-V181 HydrophobicContact CG2-CB 4.41Å; T109-V181 HydrophobicContact CG2-CG2 3.75Å; V129-V181 CarbonylContact C-O 3.58Å; V130-V181 PolarHBondContact N-O 3.47Å; V130-V181 PolarHBondContact O-N 3.41Å; Y179-V181 HydrophobicContact CD2-CG2 3.75Å; Y179-V181 HydrophobicContact CE2-CG2 3.83Å
182I95.1Very high82.2Confident0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-101.4111.2172.9-48.8179.3000108.5I90 I91 L92 V93 T127 F128 V129 L155 M184 L205 V209I90-I182 HydrophobicContact CG2-CD1 3.69Å; I90-I182 HydrophobicContact CG2-CG1 3.73Å; I91-I182 PolarHBondContact O-N 2.91Å; L92-I182 HydrophobicContact CD1-CB 3.72Å; L92-I182 HydrophobicContact CD1-CD1 4.16Å; L92-I182 HydrophobicContact CD1-CG2 3.72Å; V93-I182 PolarHBondContact N-O 3.1Å; T127-I182 HydrophobicContact CG2-CG2 3.57Å; F128-I182 CarbonylContact O-C 3.59Å; F128-I182 WeakPolarHBondContact O-CA 3.34Å; V129-I182 HydrophobicContact CG2-CG1 4.34Å; L155-I182 HydrophobicContact CD1-CD1 4.29Å; L155-I182 HydrophobicContact CD2-CD1 3.76Å; L155-I182 HydrophobicContact CG-CD1 4.33Å; I182-M184 HydrophobicContact CG2-CG 4.19Å; I182-M184 HydrophobicContact CG2-SD 4.45Å; I182-L205 HydrophobicContact CD1-CD2 4.27Å; I182-V209 HydrophobicContact CD1-CG1 3.99Å
183D94.1Very high80.2Confident0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-87106.7169.7-177.431.5000109.5T102 V105 Y113 Q124 T127 F128T102-D183 PolarHBondContact OG1-OD2 3.31Å; V105-D183 HydrophobicContact CG2-CB 4.04Å; Y113-D183 VanDerWaalsContact OH-CG 3.29Å; Y113-D183 PolarHBondContact OH-OD2 2.82Å; Q124-D183 PolarHBondContact NE2-OD2 2.95Å; T127-D183 WeakPolarHBondContact CA-O 3.35Å; F128-D183 HydrophobicContact CB-CB 4.4Å; F128-D183 PolarHBondContact N-O 3.12Å; F128-D183 PolarHBondContact O-N 3.42Å
184M90.2Very high78.4Confident0 Ų048.8 Ų48.80%024%0.242CC..  trans-89138.4176.4-75.2-75.2-70.700111.8L92 V93 L94 K101 T127 F162 I182 G186 C197 V202 L205L92-M184 HydrophobicContact CD1-CG 3.57Å; V93-M184 WeakPolarHBondContact O-CB 3.35Å; V93-M184 PolarHBondContact O-N 2.94Å; L94-M184 HydrophobicContact CD2-CB 3.74Å; L94-M184 HydrophobicContact CD2-CG 3.62Å; K101-M184 WeakPolarHBondContact CE-O 3.25Å; T127-M184 HydrophobicContact CG2-CG 4.34Å; T127-M184 HydrophobicContact CG2-SD 3.42Å; T127-M184 WeakPolarHBondContact CG2-SD 3.42Å; T127-M184 PolarHBondContact OG1-SD 3.23Å; F162-M184 HydrophobicContact CE2-CE 4.15Å; F162-M184 HydrophobicContact CE2-SD 4.38Å; F162-M184 HydrophobicContact CZ-CE 4.08Å; F162-M184 HydrophobicContact CZ-SD 3.98Å; I182-M184 HydrophobicContact CG2-CG 4.19Å; I182-M184 HydrophobicContact CG2-SD 4.45Å; M184-G186 PolarHBondContact O-N 2.96Å; M184-C197 VanDerWaalsContact CE-SG 3.54Å; M184-V202 HydrophobicContact CE-CG2 4.32Å; M184-L205 HydrophobicContact CE-CD1 4.29Å; M184-L205 HydrophobicContact SD-CD1 4.02Å
185P85.2Confident76.8Confident9 Ų945.1 Ų45.16%0.05824%0.235CC..  trans-69.2124.2179.727.3-32.9000110.1Q124 T127 K187 F188Q124-P185 HydrophobicContact CG-CB 4.25Å; Q124-P185 WeakPolarHBondContact O-CB 3.32Å; T127-P185 WeakPolarHBondContact OG1-CD 3.37Å; P185-K187 PolarHBondContact O-N 3.1Å; P185-F188 WeakPolarHBondContact O-CD1 3.46Å; P185-F188 PolarHBondContact O-N 3.18Å
186G79.3Confident75.5Confident4 Ų446.5 Ų46.54%0.04124%0.239CC..G310 helixtrans-58.5-21-174.900000115.5G95 P97 M184 F188 M189G95-G186 WeakPolarHBondContact O-CA 3.41Å; P97-G186 WeakPolarHBondContact CD-O 3.47Å; M184-G186 PolarHBondContact O-N 2.96Å; G186-F188 PolarHBondContact O-N 2.97Å; G186-F188 VanDerWaalsContact O-N 3.1Å; G186-M189 PolarHBondContact O-N 3.35Å; G186-M189 VanDerWaalsContact O-N 3.14Å
187K69.3Low74.2Confident36 Ų3647.3 Ų47.316%0.15725%0.245CC..G310 helixtrans-61.3-13.6174.6-69.3-167.5161.1-159.70115.1P97 K123 T125 P185 M189 E190P97-K187 HydrophobicContact CG-CG 4.43Å; K123-K187 HydrophobicContact CB-CD 4.31Å; K123-K187 VanDerWaalsContact CB-NZ 3.33Å; K123-K187 VanDerWaalsContact CD-NZ 3.29Å; K123-K187 VanDerWaalsContact CG-CE 3.4Å; T125-K187 HydrophobicContact CG2-CD 4.44Å; P185-K187 PolarHBondContact O-N 3.1Å; K187-M189 PolarHBondContact O-N 3.16Å; K187-E190 WeakPolarHBondContact O-CB 3.42Å; K187-E190 PolarHBondContact O-N 2.62Å
188F66Low73.4Confident27 Ų2743.9 Ų43.912%0.11824%0.235CC..G310 helixtrans-59.8-22.1172.180.9-72.2000112.9L94 P185 G186 C197 V202 L230L94-F188 HydrophobicContact CB-CZ 4.02Å; L94-F188 HydrophobicContact CD2-CE1 4.45Å; L94-F188 HydrophobicContact CD2-CE2 4.26Å; L94-F188 HydrophobicContact CD2-CZ 3.86Å; L94-F188 HydrophobicContact CG-CZ 4.44Å; P185-F188 WeakPolarHBondContact O-CD1 3.46Å; P185-F188 PolarHBondContact O-N 3.18Å; G186-F188 PolarHBondContact O-N 2.97Å; G186-F188 VanDerWaalsContact O-N 3.1Å; F188-C197 HydrophobicContact CB-CB 4.16Å; F188-V202 HydrophobicContact CD2-CG2 3.89Å; F188-V202 HydrophobicContact CE2-CG2 4.07Å; F188-L230 HydrophobicContact CE2-CD2 4.12Å
189M61.6Low73.1Confident23 Ų2340.7 Ų40.711%0.11322%0.223CC..G310 helixtrans-88.6-5.5175.2-54.1-153.7129.100113.2P96 G186 K187 F214 M227 L230P96-M189 HydrophobicContact CG-SD 4.12Å; G186-M189 PolarHBondContact O-N 3.35Å; G186-M189 VanDerWaalsContact O-N 3.14Å; K187-M189 PolarHBondContact O-N 3.16Å; M189-F214 HydrophobicContact CE-CE1 4.42Å; M189-F214 HydrophobicContact CE-CE2 3.9Å; M189-F214 HydrophobicContact CE-CZ 3.36Å; M189-F214 HydrophobicContact SD-CZ 3.94Å; M189-M227 HydrophobicContact CE-CB 4.24Å; M189-M227 HydrophobicContact CE-CG 4.03Å; M189-M227 HydrophobicContact CE-SD 4.37Å; M189-M227 HydrophobicContact SD-SD 4.24Å; M189-L230 HydrophobicContact CE-CD2 3.62Å
190E61.1Low72.5Confident78 Ų7844.6 Ų44.636%0.36424%0.244SC..SBendtrans-89.4125.7172.9-63.8178.7169.300108.7P97 K187 T192 R193P97-E190 HydrophobicContact CG-CG 4.41Å; P97-E190 WeakPolarHBondContact CG-OE1 3.31Å; K187-E190 WeakPolarHBondContact O-CB 3.42Å; K187-E190 PolarHBondContact O-N 2.62Å; E190-T192 PolarHBondContact O-N 3.05Å; E190-R193 PolarHBondContact O-N 3.45Å
191T51.2Low72Confident78 Ų7844.7 Ų44.748%0.47925%0.245SC..G310 helixtrans-54-11.4-179.147.90000115.1R193 E226T191-R193 VanDerWaalsContact C-N 3.34Å; T191-R193 PolarHBondContact O-N 3.29Å; T191-E226 VanDerWaalsContact CG2-CD 3.49Å; T191-E226 HydrophobicContact CG2-CG 4.14Å; T191-E226 WeakPolarHBondContact CG2-OE1 3.18Å
192T49.4Very low71.6Confident113 Ų11344.8 Ų44.869%0.69325%0.246SC*.G310 helixtrans-79.1-5.7-173.249.40000114.9E190E190-T192 PolarHBondContact O-N 3.05Å
193R53.4Low71.2Confident70 Ų7045.6 Ų45.626%0.26425%0.25SS..G310 helixtrans-114.240.2173.8-70.6-167.7176.6-147.8-11.8114.4T125 E190 T191 G195 I196T125-R193 PolarHBondContact O-NH1 3.39Å; T125-R193 VanDerWaalsContact O-NH1 3.1Å; E190-R193 PolarHBondContact O-N 3.45Å; T191-R193 VanDerWaalsContact C-N 3.34Å; T191-R193 PolarHBondContact O-N 3.29Å; R193-G195 PolarHBondContact O-N 2.83Å; R193-I196 PolarHBondContact O-N 3.48Å
194K53.4Low70.9Confident197 Ų19746.3 Ų46.386%0.85725%0.254SS*.THydrogen-bonded Turntrans-50.5110.6167-73.2-176.8-178.8-176.60109
195G57.3Low70.9Confident52 Ų5246.3 Ų46.354%0.53625%0.254SS..THydrogen-bonded Turntrans123.9-34.6176.700000116.1N159 R193N159-G195 PolarHBondContact ND2-O 3.42Å; R193-G195 PolarHBondContact O-N 2.83Å
196I61.9Low71.2Confident53 Ų5345.9 Ų45.927%0.27225%0.251SS..THydrogen-bonded Turntrans-86.9-45.8-175.5-60171.9000111.4F162 R193F162-I196 WeakPolarHBondContact CB-O 3.46Å; F162-I196 HydrophobicContact CD2-CG2 4.49Å; F162-I196 VanDerWaalsContact CD2-O 3.31Å; F162-I196 WeakPolarHBondContact CD2-O 3.31Å; R193-I196 PolarHBondContact O-N 3.48Å
197C65.9Low71.6Confident19 Ų1946 Ų4613%0.12825%0.25CS..SBendtrans-136.8111.2178.8-1700000108.5F162 M184 F188F162-C197 HydrophobicContact CD2-CB 4.16Å; F162-C197 HydrophobicContact CE2-CB 4.19Å; M184-C197 VanDerWaalsContact CE-SG 3.54Å; F188-C197 HydrophobicContact CB-CB 4.16Å
198S74.4Confident72.5Confident46 Ų4644.4 Ų44.432%0.32224%0.244SC..  trans-100.7167.2177680000110.9D200 V201 V202S198-D200 PolarHBondContact O-N 2.84Å; S198-D200 VanDerWaalsContact O-N 3.16Å; S198-D200 PolarHBondContact OG-N 3.4Å; S198-V201 WeakPolarHBondContact O-CB 3.38Å; S198-V201 PolarHBondContact O-N 2.79Å; S198-V201 PolarHBondContact OG-N 3.1Å; S198-V202 PolarHBondContact O-N 2.86Å; S198-V202 VanDerWaalsContact O-N 3.14Å
199V81.9Confident73.7Confident34 Ų3443.1 Ų43.121%0.20624%0.238CC..Hα-helixtrans-52.9-34.3169.7-174.20000110.7V202 T203 L230 K233V199-V202 PolarHBondContact O-N 3.35Å; V199-T203 WeakPolarHBondContact O-CB 3.37Å; V199-T203 PolarHBondContact O-N 3.09Å; V199-T203 PolarHBondContact O-OG1 2.87Å; V199-L230 HydrophobicContact CG1-CB 4.13Å; V199-L230 HydrophobicContact CG1-CD1 3.76Å; V199-K233 HydrophobicContact CG1-CB 4.48Å; V199-K233 HydrophobicContact CG1-CD 3.72Å; V199-K233 HydrophobicContact CG1-CG 4.33Å
200D80.8Confident75.1Confident95 Ų9542.1 Ų42.151%0.50823%0.233SC..Hα-helixtrans-70.2-38.1178.7-49.5-49.9000112.5S198 V202 T203 H204 K233S198-D200 PolarHBondContact O-N 2.84Å; S198-D200 VanDerWaalsContact O-N 3.16Å; S198-D200 PolarHBondContact OG-N 3.4Å; D200-V202 VanDerWaalsContact C-N 3.34Å; D200-V202 PolarHBondContact O-N 3.34Å; D200-T203 PolarHBondContact O-N 3.12Å; D200-H204 WeakPolarHBondContact O-CB 3.38Å; D200-H204 PolarHBondContact O-N 3.21Å; D200-K233 IonicContact OD1-NZ 3.94Å; D200-K233 PolarHBondContact OD1-NZ 3.41Å
201V83.8Confident76.7Confident5 Ų538.7 Ų38.73%0.0322%0.217CC..Hα-helixtrans-60.5-46.2173.3170.30000110.3P157 N159 F162 S198 H204 L205P157-V201 HydrophobicContact CG-CB 4.1Å; P157-V201 HydrophobicContact CG-CG1 3.79Å; P157-V201 HydrophobicContact CG-CG2 3.83Å; N159-V201 HydrophobicContact CB-CG2 4.48Å; F162-V201 HydrophobicContact CD1-CG1 3.54Å; F162-V201 HydrophobicContact CD2-CG1 4.04Å; F162-V201 HydrophobicContact CE1-CG1 3.4Å; F162-V201 VanDerWaalsContact CE1-CG1 3.4Å; F162-V201 HydrophobicContact CE2-CG1 3.96Å; F162-V201 HydrophobicContact CG-CG1 3.85Å; F162-V201 HydrophobicContact CZ-CG1 3.65Å; S198-V201 WeakPolarHBondContact O-CB 3.38Å; S198-V201 PolarHBondContact O-N 2.79Å; S198-V201 PolarHBondContact OG-N 3.1Å; V201-H204 PolarHBondContact O-N 3.41Å; V201-L205 HydrophobicContact CG1-CD1 4.46Å; V201-L205 WeakPolarHBondContact O-CG 3.36Å; V201-L205 PolarHBondContact O-N 2.96Å
202V88.2Confident78.8Confident2 Ų235 Ų351%0.01219%0.194CC..Hα-helixtrans-66.7-41.2177.9-177.10000110.7L94 M184 F188 S198 V199 D200 H204 L205 V206 L230L94-V202 HydrophobicContact CD1-CG1 3.77Å; L94-V202 HydrophobicContact CD2-CG1 4.27Å; M184-V202 HydrophobicContact CE-CG2 4.32Å; F188-V202 HydrophobicContact CD2-CG2 3.89Å; F188-V202 HydrophobicContact CE2-CG2 4.07Å; S198-V202 PolarHBondContact O-N 2.86Å; S198-V202 VanDerWaalsContact O-N 3.14Å; V199-V202 PolarHBondContact O-N 3.35Å; D200-V202 VanDerWaalsContact C-N 3.34Å; D200-V202 PolarHBondContact O-N 3.34Å; V202-H204 VanDerWaalsContact C-N 3.3Å; V202-H204 PolarHBondContact O-N 3.22Å; V202-L205 PolarHBondContact O-N 3.38Å; V202-V206 HydrophobicContact CG1-CG2 4.16Å; V202-V206 WeakPolarHBondContact O-CB 3.27Å; V202-V206 VanDerWaalsContact O-CG2 3.27Å; V202-V206 WeakPolarHBondContact O-CG2 3.06Å; V202-V206 PolarHBondContact O-N 3.17Å; V202-L230 HydrophobicContact CB-CD1 3.89Å; V202-L230 HydrophobicContact CG1-CD1 3.7Å; V202-L230 HydrophobicContact CG1-CD2 4.18Å
203T87.7Confident81.1Confident16 Ų1629.6 Ų29.610%0.09816%0.161CC..Hα-helixtrans-62.2-39.3177.2-55.90000111.3P77 V199 D200 V206 D207 Y237P77-T203 HydrophobicContact CG-CG2 4.4Å; V199-T203 WeakPolarHBondContact O-CB 3.37Å; V199-T203 PolarHBondContact O-N 3.09Å; V199-T203 PolarHBondContact O-OG1 2.87Å; D200-T203 PolarHBondContact O-N 3.12Å; T203-V206 PolarHBondContact O-N 3.41Å; T203-D207 WeakPolarHBondContact O-CB 3.44Å; T203-D207 PolarHBondContact O-N 3.04Å; T203-Y237 HydrophobicContact CG2-CE2 4.07Å
204H86.8Confident83Confident15 Ų1526.3 Ų26.37%0.06915%0.149CC..Hα-helixtrans-65.3-40.8175.7-178.294.8000112.5P77 T154 L155 D200 V201 V202 R208P77-H204 HydrophobicContact CB-CB 4.48Å; T154-H204 PolarHBondContact O-NE2 3.29Å; L155-H204 PolarHBondContact O-CD2 3.42Å; L155-H204 VanDerWaalsContact O-CD2 3.22Å; D200-H204 WeakPolarHBondContact O-CB 3.38Å; D200-H204 PolarHBondContact O-N 3.21Å; V201-H204 PolarHBondContact O-N 3.41Å; V202-H204 VanDerWaalsContact C-N 3.3Å; V202-H204 PolarHBondContact O-N 3.22Å; H204-R208 PolarHBondContact CE1-NH1 3.45Å; H204-R208 PolarHBondContact ND1-NH1 3.2Å; H204-R208 PolarHBondContact NE2-NH1 3.06Å
205L90.1Very high85Confident0 Ų017 Ų170%011%0.108CC..Hα-helixtrans-63.8-51.4172.7-72.9169000110.5L92 L155 F156 F162 I182 M184 V201 V202 D207 R208 V209L92-L205 HydrophobicContact CD2-CB 4.07Å; L155-L205 HydrophobicContact CD1-CD2 3.96Å; L155-L205 HydrophobicContact CG-CD2 3.86Å; L155-L205 WeakPolarHBondContact O-CD2 3.42Å; F156-L205 HydrophobicContact CD1-CD2 4.43Å; F156-L205 HydrophobicContact CE1-CD2 4.3Å; F162-L205 HydrophobicContact CE1-CD1 4.17Å; F162-L205 HydrophobicContact CZ-CD1 4.02Å; I182-L205 HydrophobicContact CD1-CD2 4.27Å; M184-L205 HydrophobicContact CE-CD1 4.29Å; M184-L205 HydrophobicContact SD-CD1 4.02Å; V201-L205 HydrophobicContact CG1-CD1 4.46Å; V201-L205 WeakPolarHBondContact O-CG 3.36Å; V201-L205 PolarHBondContact O-N 2.96Å; V202-L205 PolarHBondContact O-N 3.38Å; L205-D207 PolarHBondContact O-N 2.83Å; L205-R208 PolarHBondContact O-N 2.94Å; L205-V209 WeakPolarHBondContact O-CG1 3.44Å; L205-V209 PolarHBondContact O-N 2.98Å; L205-V209 VanDerWaalsContact O-N 3.15Å
206V91.1Very high86.8Confident0 Ų014.5 Ų14.50%08%0.083CC..Hα-helixtrans-55.8-41-179.2171.30000110.4L92 L94 V202 T203 R208 V209 V212 L234 Y237 K240L92-V206 HydrophobicContact CD2-CG2 3.65Å; L94-V206 HydrophobicContact CD1-CG2 4.43Å; V202-V206 HydrophobicContact CG1-CG2 4.16Å; V202-V206 WeakPolarHBondContact O-CB 3.27Å; V202-V206 VanDerWaalsContact O-CG2 3.27Å; V202-V206 WeakPolarHBondContact O-CG2 3.06Å; V202-V206 PolarHBondContact O-N 3.17Å; T203-V206 PolarHBondContact O-N 3.41Å; V206-R208 PolarHBondContact O-N 3.35Å; V206-R208 VanDerWaalsContact O-N 3.1Å; V206-V209 PolarHBondContact O-N 3.45Å; V206-V212 HydrophobicContact CB-CG2 4.36Å; V206-V212 HydrophobicContact CG1-CG2 3.87Å; V206-V212 HydrophobicContact CG2-CG2 3.89Å; V206-L234 HydrophobicContact CB-CD2 3.83Å; V206-L234 HydrophobicContact CG1-CD2 3.82Å; V206-L234 HydrophobicContact CG2-CD1 4.03Å; V206-L234 HydrophobicContact CG2-CD2 3.82Å; V206-Y237 HydrophobicContact CG1-CD1 4.26Å; V206-Y237 HydrophobicContact CG1-CD2 3.79Å; V206-Y237 HydrophobicContact CG1-CE2 4.43Å; V206-Y237 HydrophobicContact CG1-CG 3.67Å; V206-K240 HydrophobicContact CG1-CD 4.21Å; V206-K240 WeakPolarHBondContact O-CE 3.26Å; V206-K240 PolarHBondContact O-NZ 3.05Å
207D88.1Confident88.3Confident6 Ų612.6 Ų12.63%0.0327%0.073CC..Hα-helixtrans-56-27.4177.7-173.376.5000114.2P77 T203 L205 Y237 K240 R327 R330P77-D207 HydrophobicContact CB-CB 3.88Å; P77-D207 HydrophobicContact CG-CB 3.78Å; T203-D207 WeakPolarHBondContact O-CB 3.44Å; T203-D207 PolarHBondContact O-N 3.04Å; L205-D207 PolarHBondContact O-N 2.83Å; D207-Y237 HydrophobicContact CB-CE1 3.95Å; D207-Y237 WeakPolarHBondContact CB-OH 3.35Å; D207-Y237 WeakPolarHBondContact OD1-CE1 3.37Å; D207-Y237 PolarHBondContact OD1-OH 2.82Å; D207-K240 PolarHBondContact O-NZ 3.28Å; D207-R327 IonicContact OD2-CZ 3.97Å; D207-R327 IonicContact OD2-NE 2.75Å; D207-R327 IonicContact OD2-NH2 3.65Å; D207-R327 PolarHBondContact OD2-NH2 3.28Å; D207-R330 IonicContact OD1-CZ 3.91Å; D207-R330 IonicContact OD1-NH1 3.23Å; D207-R330 PolarHBondContact OD1-NH1 3.46Å; D207-R330 IonicContact OD1-NH2 3.48Å
208R87.8Confident89.6Confident4 Ų411.7 Ų11.72%0.0157%0.067CC..Hα-helixtrans-104.5-19.2-175.3-74.1173.6170.266.54.8115.6R78 N79 L80 D84 T154 L155 H204 L205 V206R78-R208 PolarHBondContact O-NH2 2.67Å; N79-R208 PolarHBondContact O-NH2 3.14Å; L80-R208 HydrophobicContact CD2-CG 4.43Å; D84-R208 IonicContact OD1-NE 2.7Å; D84-R208 PolarHBondContact OD1-NE 3.43Å; T154-R208 WeakPolarHBondContact O-CD 3.24Å; T154-R208 PolarHBondContact O-NE 2.87Å; L155-R208 HydrophobicContact CD1-CB 3.86Å; H204-R208 PolarHBondContact CE1-NH1 3.45Å; H204-R208 PolarHBondContact ND1-NH1 3.2Å; H204-R208 PolarHBondContact NE2-NH1 3.06Å; L205-R208 PolarHBondContact O-N 2.94Å; V206-R208 PolarHBondContact O-N 3.35Å; V206-R208 VanDerWaalsContact O-N 3.1Å
209V91.8Very high90.4Very high0 Ų012.2 Ų12.20%06%0.062CC..  trans-84.7149.7179.7-56.60000111.8I90 L92 L155 I182 L205 V206 V212 K240I90-V209 HydrophobicContact CB-CB 4.16Å; I90-V209 HydrophobicContact CB-CG1 3.95Å; I90-V209 HydrophobicContact CG2-CB 4.23Å; I90-V209 HydrophobicContact CG2-CG1 3.58Å; I90-V209 WeakPolarHBondContact O-CB 3.43Å; L92-V209 HydrophobicContact CB-CB 4.22Å; L92-V209 HydrophobicContact CB-CG1 4.03Å; L92-V209 HydrophobicContact CB-CG2 3.79Å; L92-V209 HydrophobicContact CD2-CG2 4.28Å; L155-V209 HydrophobicContact CD1-CG1 4.16Å; I182-V209 HydrophobicContact CD1-CG1 3.99Å; L205-V209 WeakPolarHBondContact O-CG1 3.44Å; L205-V209 PolarHBondContact O-N 2.98Å; L205-V209 VanDerWaalsContact O-N 3.15Å; V206-V209 PolarHBondContact O-N 3.45Å; V209-V212 HydrophobicContact CG2-CG2 3.71Å; V209-K240 VanDerWaalsContact O-CD 3.27Å; V209-K240 WeakPolarHBondContact O-CD 3.41Å; V209-K240 PolarHBondContact O-NZ 2.85Å; V209-K240 VanDerWaalsContact O-NZ 3.17Å
210D91.9Very high90.6Very high1 Ų120.1 Ų20.11%0.0059%0.088CC..SBendtrans-83.6-25.4-177-58.3-103.5000112.6P89 I90 R319 R320P89-D210 WeakPolarHBondContact CA-OD2 3.38Å; P89-D210 HydrophobicContact CB-CB 4.25Å; I90-D210 PolarHBondContact N-OD2 2.98Å; I90-D210 PolarHBondContact O-N 3.04Å; D210-R319 WeakPolarHBondContact O-CD 3.29Å; D210-R320 IonicContact OD1-NH2 2.81Å; D210-R320 IonicContact OD2-NH2 2.89Å
211M94.1Very high90.8Very high7 Ų717.2 Ų17.23%0.0347%0.071CC..EExtended strand (participates in β ladder)trans-146.2140.2179.1-170.6179.9-172.600110.7I90 I91 L92 I213 T242 L305 Q308 I309 L312I90-M211 PolarHBondContact O-N 3.4Å; I91-M211 CarbonylContact C-O 3.56Å; I91-M211 WeakPolarHBondContact CA-O 3.41Å; I91-M211 HydrophobicContact CG1-CB 4.38Å; I91-M211 HydrophobicContact CG2-CB 4.44Å; L92-M211 PolarHBondContact N-O 3.27Å; M211-I213 HydrophobicContact CE-CD1 4.19Å; M211-I213 HydrophobicContact CE-CG1 3.88Å; M211-I213 HydrophobicContact CG-CG1 4.27Å; M211-I213 HydrophobicContact SD-CD1 4.27Å; M211-I213 HydrophobicContact SD-CG1 4.17Å; M211-T242 HydrophobicContact CE-CG2 4.16Å; M211-L305 HydrophobicContact CE-CD1 3.76Å; M211-Q308 HydrophobicContact CE-CB 4.46Å; M211-I309 HydrophobicContact SD-CG1 4.11Å; M211-L312 HydrophobicContact CB-CD1 4.37Å; M211-L312 HydrophobicContact CB-CD2 4.09Å; M211-L312 HydrophobicContact SD-CD1 4.37Å; M211-L312 HydrophobicContact SD-CD2 4.32Å
212V95.4Very high90.7Very high0 Ų021.4 Ų21.40%010%0.096CC..EExtended strand (participates in β ladder)trans-119.2116.5174.1-177.60000108L92 L94 V206 V209 K240 I241 T242L92-V212 HydrophobicContact CD2-CG2 4.49Å; L92-V212 CarbonylContact O-C 3.45Å; L92-V212 WeakPolarHBondContact O-CA 3.29Å; L94-V212 HydrophobicContact CD1-CG1 3.72Å; L94-V212 HydrophobicContact CG-CG1 4.32Å; V206-V212 HydrophobicContact CB-CG2 4.36Å; V206-V212 HydrophobicContact CG1-CG2 3.87Å; V206-V212 HydrophobicContact CG2-CG2 3.89Å; V209-V212 HydrophobicContact CG2-CG2 3.71Å; V212-K240 HydrophobicContact CG2-CD 4.22Å; V212-K240 HydrophobicContact CG2-CG 4.31Å; V212-K240 PolarHBondContact N-O 3.06Å; V212-I241 HydrophobicContact CB-CG1 4.21Å; V212-I241 CarbonylContact O-C 3.52Å; V212-I241 WeakPolarHBondContact O-CA 3.44Å; V212-T242 PolarHBondContact O-N 3.39Å
213I97Very high90.4Very high0 Ų022.6 Ų22.60%010%0.101CC..EExtended strand (participates in β ladder)trans-102.2114.4174.4-56.4173.7000108.7I91 L92 V93 L94 L104 M211 V215 T242 V244 L305 I309I91-I213 HydrophobicContact CG2-CD1 3.63Å; I91-I213 HydrophobicContact CG2-CG1 3.98Å; L92-I213 PolarHBondContact O-N 2.78Å; V93-I213 WeakPolarHBondContact CA-O 3.36Å; L94-I213 PolarHBondContact N-O 3.07Å; L104-I213 HydrophobicContact CD2-CG2 3.72Å; M211-I213 HydrophobicContact CE-CD1 4.19Å; M211-I213 HydrophobicContact CE-CG1 3.88Å; M211-I213 HydrophobicContact CG-CG1 4.27Å; M211-I213 HydrophobicContact SD-CD1 4.27Å; M211-I213 HydrophobicContact SD-CG1 4.17Å; I213-V215 HydrophobicContact CG2-CG2 4Å; I213-T242 CarbonylContact C-O 3.45Å; I213-T242 WeakPolarHBondContact CA-O 3.27Å; I213-V244 HydrophobicContact CG2-CB 4.22Å; I213-V244 HydrophobicContact CG2-CG2 3.52Å; I213-L305 HydrophobicContact CD1-CD1 4.14Å; I213-I309 HydrophobicContact CD1-CD1 4.31Å
214F94.6Very high90Very high1 Ų124.1 Ų24.10%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-97.4104.8177.9-150.3-64.9000109.9L94 M189 L216 M227 L230 L231 T242 F243 V244L94-F214 HydrophobicContact CB-CD2 4.13Å; L94-F214 HydrophobicContact CB-CE2 4.28Å; M189-F214 HydrophobicContact CE-CE1 4.42Å; M189-F214 HydrophobicContact CE-CE2 3.9Å; M189-F214 HydrophobicContact CE-CZ 3.36Å; M189-F214 HydrophobicContact SD-CZ 3.94Å; F214-L216 HydrophobicContact CD1-CD1 4.32Å; F214-L216 HydrophobicContact CD1-CD2 3.84Å; F214-L216 HydrophobicContact CD1-CG 3.88Å; F214-L216 HydrophobicContact CE1-CD2 3.63Å; F214-L216 HydrophobicContact CE1-CG 4.19Å; F214-M227 HydrophobicContact CD1-CE 4.1Å; F214-M227 HydrophobicContact CE1-CE 3.25Å; F214-M227 HydrophobicContact CE1-SD 4.04Å; F214-M227 HydrophobicContact CE2-CE 4.19Å; F214-M227 HydrophobicContact CZ-CE 3.3Å; F214-M227 HydrophobicContact CZ-CG 4.19Å; F214-M227 HydrophobicContact CZ-SD 3.85Å; F214-L230 HydrophobicContact CE2-CD2 4.4Å; F214-L231 HydrophobicContact CE2-CD2 4.45Å; F214-T242 PolarHBondContact N-O 2.85Å; F214-F243 HydrophobicContact CB-CD1 3.71Å; F214-F243 HydrophobicContact CB-CE1 3.94Å; F214-F243 HydrophobicContact CB-CG 4.47Å; F214-F243 HydrophobicContact CD1-CD1 4.42Å; F214-F243 HydrophobicContact CD1-CE1 4.45Å; F214-F243 HydrophobicContact CD2-CE1 4.48Å; F214-F243 HydrophobicContact CG-CD1 4.15Å; F214-F243 HydrophobicContact CG-CE1 4.03Å; F214-F243 WeakPolarHBondContact O-CA 3.29Å; F214-V244 PolarHBondContact O-N 3.02Å
215V95.2Very high89.7Confident0 Ų028.6 Ų28.60%014%0.136CC..EExtended strand (participates in β ladder)trans-94.1118.5-174.4-1690000110.7V93 L94 T99 K101 L104 I213 N246V93-V215 HydrophobicContact CG1-CG2 3.72Å; L94-V215 PolarHBondContact O-N 2.91Å; T99-V215 WeakPolarHBondContact CB-O 3.46Å; T99-V215 WeakPolarHBondContact O-CG1 3.03Å; T99-V215 PolarHBondContact OG1-O 3.25Å; K101-V215 HydrophobicContact CG-CB 3.86Å; K101-V215 HydrophobicContact CG-CG2 4.02Å; L104-V215 HydrophobicContact CD2-CG2 3.46Å; L104-V215 VanDerWaalsContact CD2-CG2 3.46Å; I213-V215 HydrophobicContact CG2-CG2 4Å; V215-N246 HydrophobicContact CG1-CB 3.95Å
216L94.2Very high89.1Confident1 Ų132.1 Ų32.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-120146.1-179.1-65.4174.6000110.2P96 F214 M227 F243 V244 L245 N246 F263P96-L216 HydrophobicContact CG-CD2 4.28Å; F214-L216 HydrophobicContact CD1-CD1 4.32Å; F214-L216 HydrophobicContact CD1-CD2 3.84Å; F214-L216 HydrophobicContact CD1-CG 3.88Å; F214-L216 HydrophobicContact CE1-CD2 3.63Å; F214-L216 HydrophobicContact CE1-CG 4.19Å; L216-M227 HydrophobicContact CD2-CE 4.12Å; L216-F243 HydrophobicContact CD1-CD1 4.26Å; L216-V244 PolarHBondContact N-O 3.42Å; L216-L245 HydrophobicContact CB-CD2 4.06Å; L216-L245 HydrophobicContact CD1-CD2 4.19Å; L216-N246 WeakPolarHBondContact O-CA 3.46Å; L216-N246 WeakPolarHBondContact O-CB 3.4Å; L216-N246 PolarHBondContact O-N 3.24Å; L216-F263 HydrophobicContact CD1-CD2 4.14Å; L216-F263 HydrophobicContact CD1-CE2 3.3Å; L216-F263 HydrophobicContact CD1-CZ 3.94Å
217D93Very high88.7Confident12 Ų1232.1 Ų32.16%0.06415%0.153CC..EExtended strand (participates in β ladder)trans-80117.4164.7-174.3-43.6000107.3T99 Y219 R220 Y221 K247T99-D217 HydrophobicContact CG2-CB 4.24Å; D217-Y219 PolarHBondContact O-N 3.23Å; D217-Y219 VanDerWaalsContact O-N 3.09Å; D217-Y219 PolarHBondContact OD1-N 3.44Å; D217-Y219 VanDerWaalsContact OD1-N 3.11Å; D217-R220 HydrophobicContact CB-CB 4.16Å; D217-R220 PolarHBondContact O-N 3.01Å; D217-R220 VanDerWaalsContact O-N 3.17Å; D217-Y221 PolarHBondContact O-N 3.3Å; D217-K247 WeakPolarHBondContact OD2-CD 3.48Å; D217-K247 WeakPolarHBondContact OD2-CE 3.48Å; D217-K247 IonicContact OD2-NZ 2.62Å; D217-K247 PolarHBondContact OD2-NZ 3.48Å
218I94.4Very high88.6Confident1 Ų135.8 Ų35.81%0.00517%0.168CC..THydrogen-bonded Turntrans-56.8-28.9-173.6-171.6170.7000112.9Y221 L245 N246 A248 V256 A259 I281I218-Y221 VanDerWaalsContact O-CD1 3.28Å; I218-Y221 WeakPolarHBondContact O-CD1 3.35Å; I218-Y221 WeakPolarHBondContact O-CE1 3.44Å; I218-L245 HydrophobicContact CB-CB 4.08Å; I218-L245 HydrophobicContact CD1-CB 4.17Å; I218-L245 HydrophobicContact CD1-CD1 4.22Å; I218-L245 HydrophobicContact CG1-CB 4.16Å; I218-L245 HydrophobicContact CG1-CD1 4.21Å; I218-N246 WeakPolarHBondContact CG2-O 3.38Å; I218-N246 PolarHBondContact N-O 2.93Å; I218-N246 VanDerWaalsContact N-O 3.09Å; I218-A248 HydrophobicContact CD1-CB 4.17Å; I218-A248 HydrophobicContact CG2-CB 4.24Å; I218-V256 HydrophobicContact CD1-CG1 4.08Å; I218-A259 HydrophobicContact CD1-CB 4.29Å; I218-A259 HydrophobicContact CG1-CB 3.76Å; I218-I281 HydrophobicContact CD1-CG2 3.98Å
219Y90.6Very high88.4Confident56 Ų5641 Ų4122%0.2219%0.193CC..THydrogen-bonded Turntrans-99.7-7.8-175.9-51.4-66.4000114.2D217 K247 A248 I250 H251 K255 V256 A259D217-Y219 PolarHBondContact O-N 3.23Å; D217-Y219 VanDerWaalsContact O-N 3.09Å; D217-Y219 PolarHBondContact OD1-N 3.44Å; D217-Y219 VanDerWaalsContact OD1-N 3.11Å; Y219-K247 VanDerWaalsContact CE2-O 3.24Å; Y219-K247 WeakPolarHBondContact CE2-O 3.45Å; Y219-A248 PolarHBondContact OH-O 2.9Å; Y219-A248 VanDerWaalsContact OH-O 3.08Å; Y219-I250 HydrophobicContact CE2-CB 3.9Å; Y219-H251 AromaticContact CD1-CD2 3.63Å; Y219-H251 AromaticContact CD2-CD2 3.51Å; Y219-H251 HydrophobicContact CE1-CB 3.96Å; Y219-H251 AromaticContact CE1-CD2 3.62Å; Y219-H251 HydrophobicContact CE2-CB 4.32Å; Y219-H251 AromaticContact CE2-CD2 3.48Å; Y219-H251 VanDerWaalsContact CE2-CD2 3.48Å; Y219-H251 WeakPolarHBondContact CE2-CD2 3.48Å; Y219-H251 AromaticContact CG-CD2 3.56Å; Y219-H251 AromaticContact CZ-CD2 3.53Å; Y219-H251 AromaticContact CZ-CG 3.95Å; Y219-H251 WeakPolarHBondContact OH-CB 3.46Å; Y219-H251 PolarHBondContact OH-N 2.66Å; Y219-K255 HydrophobicContact CE1-CB 4.22Å; Y219-V256 HydrophobicContact CE1-CG2 4.43Å; Y219-V256 WeakPolarHBondContact OH-CG2 3.46Å; Y219-A259 HydrophobicContact CD1-CB 4.32Å
220R86.4Confident88.1Confident200 Ų20041.2 Ų41.276%0.75519%0.194SC*.THydrogen-bonded Turntrans-131.76.8-172.4-59.8-176.7179.6-168.90.3113.5D217 T222D217-R220 HydrophobicContact CB-CB 4.16Å; D217-R220 PolarHBondContact O-N 3.01Å; D217-R220 VanDerWaalsContact O-N 3.17Å; R220-T222 PolarHBondContact O-N 3.45Å
221Y84Confident87.9Confident35 Ų3541.2 Ų41.214%0.13719%0.194CC..  trans-63.6140.1179.273.3-91.7000109.9D217 I218 F223 E262 F263D217-Y221 PolarHBondContact O-N 3.3Å; I218-Y221 VanDerWaalsContact O-CD1 3.28Å; I218-Y221 WeakPolarHBondContact O-CD1 3.35Å; I218-Y221 WeakPolarHBondContact O-CE1 3.44Å; Y221-F223 HydrophobicContact CD2-CD2 4.14Å; Y221-F223 AromaticContact CD2-CE2 3.66Å; Y221-F223 HydrophobicContact CD2-CE2 3.66Å; Y221-F223 HydrophobicContact CD2-CZ 4.3Å; Y221-F223 HydrophobicContact CE2-CD2 4.26Å; Y221-F223 AromaticContact CE2-CE2 3.66Å; Y221-F223 HydrophobicContact CE2-CE2 3.66Å; Y221-E262 WeakPolarHBondContact OH-CB 3.26Å; Y221-E262 PolarHBondContact OH-O 3.46Å; Y221-F263 HydrophobicContact CD1-CD2 4.43Å; Y221-F263 HydrophobicContact CD2-CD2 4.15Å; Y221-F263 HydrophobicContact CE1-CB 3.94Å; Y221-F263 HydrophobicContact CE1-CD2 4.27Å; Y221-F263 HydrophobicContact CE2-CB 4.42Å; Y221-F263 HydrophobicContact CE2-CD2 4Å; Y221-F263 HydrophobicContact CG-CD2 4.39Å; Y221-F263 WeakPolarHBondContact OH-CA 3.45Å; Y221-F263 PolarHBondContact OH-N 3.44Å
222T81.7Confident87.6Confident92 Ų9245.4 Ų45.456%0.56422%0.216SC*.  trans-132.3155.7167.155.10000106.8R220 P224R220-T222 PolarHBondContact O-N 3.45Å; T222-P224 WeakPolarHBondContact O-CD 3.44Å
223F82.3Confident87.1Confident27 Ų2750.2 Ų50.212%0.11824%0.237CC..  trans-10981.6170.6-65-83.8000108.9Y221 M227 K228 L231 F263 L270Y221-F223 HydrophobicContact CD2-CD2 4.14Å; Y221-F223 AromaticContact CD2-CE2 3.66Å; Y221-F223 HydrophobicContact CD2-CE2 3.66Å; Y221-F223 HydrophobicContact CD2-CZ 4.3Å; Y221-F223 HydrophobicContact CE2-CD2 4.26Å; Y221-F223 AromaticContact CE2-CE2 3.66Å; Y221-F223 HydrophobicContact CE2-CE2 3.66Å; F223-M227 HydrophobicContact CD1-CE 3.42Å; F223-M227 VanDerWaalsContact CD1-CE 3.42Å; F223-M227 HydrophobicContact CD1-CG 4.14Å; F223-M227 HydrophobicContact CD1-SD 3.87Å; F223-M227 HydrophobicContact CE1-CE 3.4Å; F223-M227 VanDerWaalsContact CE1-CE 3.4Å; F223-M227 HydrophobicContact CE1-SD 4.43Å; F223-K228 HydrophobicContact CB-CG 4.07Å; F223-K228 WeakPolarHBondContact O-CE 3.19Å; F223-L231 HydrophobicContact CD1-CD1 3.8Å; F223-L231 HydrophobicContact CE1-CD1 3.71Å; F223-F263 HydrophobicContact CE2-CD2 4.41Å; F223-F263 HydrophobicContact CE2-CE2 4.48Å; F223-F263 HydrophobicContact CZ-CD2 4.05Å; F223-F263 AromaticContact CZ-CE2 3.69Å; F223-F263 HydrophobicContact CZ-CE2 3.69Å; F223-L270 HydrophobicContact CB-CD1 3.86Å; F223-L270 HydrophobicContact CD1-CD1 3.34Å; F223-L270 HydrophobicContact CD2-CD1 3.89Å; F223-L270 HydrophobicContact CE1-CD1 3.71Å; F223-L270 HydrophobicContact CE2-CD1 4.22Å; F223-L270 HydrophobicContact CG-CD1 3.43Å; F223-L270 VanDerWaalsContact CG-CD1 3.43Å; F223-L270 HydrophobicContact CZ-CD1 4.14Å
224P80.3Confident86.6Confident49 Ų4950.2 Ų50.232%0.31824%0.238SC..  trans-55.2159.2169.9-23.332.1000111.6T222 E226 M227 K228T222-P224 WeakPolarHBondContact O-CD 3.44Å; P224-E226 PolarHBondContact O-N 2.67Å; P224-M227 WeakPolarHBondContact O-CA 3.02Å; P224-M227 WeakPolarHBondContact O-CB 3.23Å; P224-M227 PolarHBondContact O-N 3.24Å; P224-K228 WeakPolarHBondContact O-CG 3.01Å; P224-K228 PolarHBondContact O-N 2.9Å
225N80.2Confident86.2Confident108 Ų10851.6 Ų51.658%0.57825%0.249SC*.Hα-helixtrans-55.5-37.4-179.4-73.4-19.8000112.3M227 K228 Q229N225-M227 VanDerWaalsContact C-N 3.35Å; N225-M227 PolarHBondContact O-N 2.93Å; N225-K228 PolarHBondContact O-N 3.17Å; N225-Q229 WeakPolarHBondContact O-CB 3.25Å; N225-Q229 VanDerWaalsContact O-CG 3.29Å; N225-Q229 WeakPolarHBondContact O-CG 3.45Å; N225-Q229 PolarHBondContact O-N 3.44Å
226E77.9Confident85.5Confident74 Ų7454 Ų5435%0.34627%0.269SS..Hα-helixtrans-62.4-41.8176.1-64.271.7-159.800111.6T191 P224 Q229 L230T191-E226 VanDerWaalsContact CG2-CD 3.49Å; T191-E226 HydrophobicContact CG2-CG 4.14Å; T191-E226 WeakPolarHBondContact CG2-OE1 3.18Å; P224-E226 PolarHBondContact O-N 2.67Å; E226-Q229 PolarHBondContact O-N 2.82Å; E226-L230 WeakPolarHBondContact O-CB 3.45Å; E226-L230 PolarHBondContact O-N 2.6Å
227M81.8Confident85.2Confident1 Ų154.4 Ų54.41%0.00527%0.27CS..Hα-helixtrans-69.4-39.1176.4-178.4169.1171.300111.3M189 F214 L216 F223 P224 N225 L230 L231M189-M227 HydrophobicContact CE-CB 4.24Å; M189-M227 HydrophobicContact CE-CG 4.03Å; M189-M227 HydrophobicContact CE-SD 4.37Å; M189-M227 HydrophobicContact SD-SD 4.24Å; F214-M227 HydrophobicContact CD1-CE 4.1Å; F214-M227 HydrophobicContact CE1-CE 3.25Å; F214-M227 HydrophobicContact CE1-SD 4.04Å; F214-M227 HydrophobicContact CE2-CE 4.19Å; F214-M227 HydrophobicContact CZ-CE 3.3Å; F214-M227 HydrophobicContact CZ-CG 4.19Å; F214-M227 HydrophobicContact CZ-SD 3.85Å; L216-M227 HydrophobicContact CD2-CE 4.12Å; F223-M227 HydrophobicContact CD1-CE 3.42Å; F223-M227 VanDerWaalsContact CD1-CE 3.42Å; F223-M227 HydrophobicContact CD1-CG 4.14Å; F223-M227 HydrophobicContact CD1-SD 3.87Å; F223-M227 HydrophobicContact CE1-CE 3.4Å; F223-M227 VanDerWaalsContact CE1-CE 3.4Å; F223-M227 HydrophobicContact CE1-SD 4.43Å; P224-M227 WeakPolarHBondContact O-CA 3.02Å; P224-M227 WeakPolarHBondContact O-CB 3.23Å; P224-M227 PolarHBondContact O-N 3.24Å; N225-M227 VanDerWaalsContact C-N 3.35Å; N225-M227 PolarHBondContact O-N 2.93Å; M227-L230 PolarHBondContact O-N 2.77Å; M227-L231 HydrophobicContact CE-CD1 4.01Å; M227-L231 HydrophobicContact CG-CD1 4.23Å; M227-L231 HydrophobicContact CG-CG 4.45Å; M227-L231 WeakPolarHBondContact O-CB 3.46Å; M227-L231 WeakPolarHBondContact O-CG 3.39Å; M227-L231 PolarHBondContact O-N 2.77Å
228K85.3Confident84.9Confident82 Ų8257.2 Ų57.236%0.35728%0.283SS..Hα-helixtrans-61.7-46.3173.6-62.6-176.4179.8170.90111.3F223 P224 N225 L230 L231 N232 L270F223-K228 HydrophobicContact CB-CG 4.07Å; F223-K228 WeakPolarHBondContact O-CE 3.19Å; P224-K228 WeakPolarHBondContact O-CG 3.01Å; P224-K228 PolarHBondContact O-N 2.9Å; N225-K228 PolarHBondContact O-N 3.17Å; K228-L230 VanDerWaalsContact C-N 3.32Å; K228-L230 PolarHBondContact O-N 2.93Å; K228-L231 PolarHBondContact O-N 2.88Å; K228-N232 WeakPolarHBondContact O-CB 3.4Å; K228-N232 PolarHBondContact O-N 3.04Å; K228-N232 PolarHBondContact O-OD1 3.17Å; K228-L270 HydrophobicContact CB-CD2 4.11Å; K228-L270 HydrophobicContact CD-CD2 3.73Å; K228-L270 HydrophobicContact CG-CD1 4.36Å; K228-L270 HydrophobicContact CG-CD2 3.57Å
229Q83.9Confident84.5Confident113 Ų11360.1 Ų60.153%0.52830%0.297SS..Hα-helixtrans-60.6-41.7175.8-74.7176.7500111.8N225 E226 K233N225-Q229 WeakPolarHBondContact O-CB 3.25Å; N225-Q229 VanDerWaalsContact O-CG 3.29Å; N225-Q229 WeakPolarHBondContact O-CG 3.45Å; N225-Q229 PolarHBondContact O-N 3.44Å; E226-Q229 PolarHBondContact O-N 2.82Å; Q229-K233 PolarHBondContact O-N 2.87Å
230L86.6Confident84.5Confident5 Ų557.8 Ų57.83%0.02629%0.287CS..Hα-helixtrans-60.7-54.9174178.364.6000110.8F188 M189 V199 V202 F214 E226 M227 K228 N232 K233 L234F188-L230 HydrophobicContact CE2-CD2 4.12Å; M189-L230 HydrophobicContact CE-CD2 3.62Å; V199-L230 HydrophobicContact CG1-CB 4.13Å; V199-L230 HydrophobicContact CG1-CD1 3.76Å; V202-L230 HydrophobicContact CB-CD1 3.89Å; V202-L230 HydrophobicContact CG1-CD1 3.7Å; V202-L230 HydrophobicContact CG1-CD2 4.18Å; F214-L230 HydrophobicContact CE2-CD2 4.4Å; E226-L230 WeakPolarHBondContact O-CB 3.45Å; E226-L230 PolarHBondContact O-N 2.6Å; M227-L230 PolarHBondContact O-N 2.77Å; K228-L230 VanDerWaalsContact C-N 3.32Å; K228-L230 PolarHBondContact O-N 2.93Å; L230-N232 VanDerWaalsContact C-N 3.26Å; L230-N232 PolarHBondContact O-N 3.44Å; L230-K233 CarbonylContact O-C 3.57Å; L230-K233 PolarHBondContact O-N 2.85Å; L230-L234 HydrophobicContact CD1-CD1 3.91Å; L230-L234 HydrophobicContact CD1-CD2 4.19Å; L230-L234 HydrophobicContact CD1-CG 3.85Å; L230-L234 HydrophobicContact CD2-CD1 4.49Å; L230-L234 HydrophobicContact CG-CD1 3.91Å; L230-L234 HydrophobicContact CG-CG 4.11Å; L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.94Å
231L87.9Confident84.8Confident1 Ų148.5 Ų48.51%0.00525%0.253CS..Hα-helixtrans-57.8-38.7-179.6-70.6175.1000112.4F214 F223 M227 K228 L234 A235 F243 L270F214-L231 HydrophobicContact CE2-CD2 4.45Å; F223-L231 HydrophobicContact CD1-CD1 3.8Å; F223-L231 HydrophobicContact CE1-CD1 3.71Å; M227-L231 HydrophobicContact CE-CD1 4.01Å; M227-L231 HydrophobicContact CG-CD1 4.23Å; M227-L231 HydrophobicContact CG-CG 4.45Å; M227-L231 WeakPolarHBondContact O-CB 3.46Å; M227-L231 WeakPolarHBondContact O-CG 3.39Å; M227-L231 PolarHBondContact O-N 2.77Å; K228-L231 PolarHBondContact O-N 2.88Å; L231-L234 CarbonylContact O-C 3.58Å; L231-L234 PolarHBondContact O-N 2.97Å; L231-L234 VanDerWaalsContact O-N 3.12Å; L231-A235 PolarHBondContact O-N 3.06Å; L231-F243 HydrophobicContact CD2-CE1 4.22Å; L231-F243 HydrophobicContact CD2-CZ 4.01Å; L231-L270 HydrophobicContact CD1-CD1 4.17Å
232N86.3Confident85.3Confident95 Ų9547 Ų4751%0.50825%0.247SC..Hα-helixtrans-61.8-45.8174-72.1-6.3000112.1K228 L230 L234 A235 L270K228-N232 WeakPolarHBondContact O-CB 3.4Å; K228-N232 PolarHBondContact O-N 3.04Å; K228-N232 PolarHBondContact O-OD1 3.17Å; L230-N232 VanDerWaalsContact C-N 3.26Å; L230-N232 PolarHBondContact O-N 3.44Å; N232-L234 PolarHBondContact O-N 3.08Å; N232-A235 VanDerWaalsContact O-CB 3.32Å; N232-A235 WeakPolarHBondContact O-CB 3.11Å; N232-A235 PolarHBondContact O-N 2.95Å; N232-L270 PolarHBondContact OD1-O 3.23Å; N232-L270 VanDerWaalsContact OD1-O 3.1Å
233K84.8Confident86Confident101 Ų10142.7 Ų42.744%0.43922%0.221SC..Hα-helixtrans-65.3-30.8173.7-73.1-160.5-175.8177.70112.1V199 D200 Q229 L230 A235V199-K233 HydrophobicContact CG1-CB 4.48Å; V199-K233 HydrophobicContact CG1-CD 3.72Å; V199-K233 HydrophobicContact CG1-CG 4.33Å; D200-K233 IonicContact OD1-NZ 3.94Å; D200-K233 PolarHBondContact OD1-NZ 3.41Å; Q229-K233 PolarHBondContact O-N 2.87Å; L230-K233 CarbonylContact O-C 3.57Å; L230-K233 PolarHBondContact O-N 2.85Å; K233-A235 VanDerWaalsContact C-N 3.3Å; K233-A235 PolarHBondContact O-N 2.8Å
234L88.3Confident86.7Confident1 Ų141.4 Ų41.41%0.00522%0.215CC..Hα-helixtrans-81.8-4.1180-62.8-167.6000114.1V206 L230 L231 N232 A236 Y237 E238 I241V206-L234 HydrophobicContact CB-CD2 3.83Å; V206-L234 HydrophobicContact CG1-CD2 3.82Å; V206-L234 HydrophobicContact CG2-CD1 4.03Å; V206-L234 HydrophobicContact CG2-CD2 3.82Å; L230-L234 HydrophobicContact CD1-CD1 3.91Å; L230-L234 HydrophobicContact CD1-CD2 4.19Å; L230-L234 HydrophobicContact CD1-CG 3.85Å; L230-L234 HydrophobicContact CD2-CD1 4.49Å; L230-L234 HydrophobicContact CG-CD1 3.91Å; L230-L234 HydrophobicContact CG-CG 4.11Å; L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.94Å; L231-L234 CarbonylContact O-C 3.58Å; L231-L234 PolarHBondContact O-N 2.97Å; L231-L234 VanDerWaalsContact O-N 3.12Å; N232-L234 PolarHBondContact O-N 3.08Å; L234-A236 PolarHBondContact O-N 3.34Å; L234-Y237 HydrophobicContact CD2-CD2 4.04Å; L234-Y237 HydrophobicContact CD2-CE2 4.47Å; L234-Y237 CarbonylContact O-C 3.55Å; L234-Y237 WeakPolarHBondContact O-CA 3.3Å; L234-Y237 WeakPolarHBondContact O-CB 3.1Å; L234-Y237 PolarHBondContact O-N 3.12Å; L234-E238 PolarHBondContact O-N 2.82Å; L234-I241 HydrophobicContact CB-CD1 3.83Å; L234-I241 HydrophobicContact CD1-CD1 4.35Å
235A84.5Confident87.4Confident30 Ų3039.1 Ų39.125%0.24820%0.2CC..G310 helixtrans-55.3-37.1178.600000112.6L231 N232 K233 Y237 E238L231-A235 PolarHBondContact O-N 3.06Å; N232-A235 VanDerWaalsContact O-CB 3.32Å; N232-A235 WeakPolarHBondContact O-CB 3.11Å; N232-A235 PolarHBondContact O-N 2.95Å; K233-A235 VanDerWaalsContact C-N 3.3Å; K233-A235 PolarHBondContact O-N 2.8Å; A235-Y237 PolarHBondContact O-N 3.4Å; A235-Y237 VanDerWaalsContact O-N 3.07Å; A235-E238 PolarHBondContact O-N 3.14Å
236A81.6Confident88.2Confident50 Ų5034.4 Ų34.441%0.41318%0.175SC..G310 helixtrans-65.8-10175.600000114.3L234L234-A236 PolarHBondContact O-N 3.34Å
237Y87.2Confident89Confident10 Ų1033.3 Ų33.34%0.03917%0.169CC..G310 helixtrans-119.415-177.9-54.6-74000112.4T203 V206 D207 L234 A235 H239 K240 R330T203-Y237 HydrophobicContact CG2-CE2 4.07Å; V206-Y237 HydrophobicContact CG1-CD1 4.26Å; V206-Y237 HydrophobicContact CG1-CD2 3.79Å; V206-Y237 HydrophobicContact CG1-CE2 4.43Å; V206-Y237 HydrophobicContact CG1-CG 3.67Å; D207-Y237 HydrophobicContact CB-CE1 3.95Å; D207-Y237 WeakPolarHBondContact CB-OH 3.35Å; D207-Y237 WeakPolarHBondContact OD1-CE1 3.37Å; D207-Y237 PolarHBondContact OD1-OH 2.82Å; L234-Y237 HydrophobicContact CD2-CD2 4.04Å; L234-Y237 HydrophobicContact CD2-CE2 4.47Å; L234-Y237 CarbonylContact O-C 3.55Å; L234-Y237 WeakPolarHBondContact O-CA 3.3Å; L234-Y237 WeakPolarHBondContact O-CB 3.1Å; L234-Y237 PolarHBondContact O-N 3.12Å; A235-Y237 PolarHBondContact O-N 3.4Å; A235-Y237 VanDerWaalsContact O-N 3.07Å; Y237-H239 PolarHBondContact O-N 3.33Å; Y237-K240 VanDerWaalsContact CB-CE 3.48Å; Y237-K240 WeakPolarHBondContact O-CG 3.25Å; Y237-K240 PolarHBondContact O-N 2.92Å; Y237-R330 PolarHBondContact OH-NH1 3.5Å; Y237-R330 VanDerWaalsContact OH-NH1 3.14Å; Y237-R330 PolarHBondContact OH-NH2 2.77Å
238E86.9Confident89.5Confident70 Ų7033.3 Ų33.333%0.32717%0.169SC..G310 helixtrans-49.4-36.5-176.764.6-176.8-166.700113.9L234 A235 K240 I241 M271 S273L234-E238 PolarHBondContact O-N 2.82Å; A235-E238 PolarHBondContact O-N 3.14Å; E238-K240 PolarHBondContact O-N 3.44Å; E238-K240 VanDerWaalsContact O-N 3.14Å; E238-I241 PolarHBondContact O-N 3.27Å; E238-M271 HydrophobicContact CB-CE 3.79Å; E238-S273 PolarHBondContact OE1-OG 3.4Å; E238-S273 WeakPolarHBondContact OE2-CB 3.26Å; E238-S273 PolarHBondContact OE2-OG 3.25Å
239H85.7Confident89.8Confident63 Ų6329.6 Ų29.629%0.29215%0.153SC..G310 helixtrans-63.8-21.4-176.563.7-87.7000114.1Y237Y237-H239 PolarHBondContact O-N 3.33Å
240K90.4Very high90.1Very high6 Ų627.9 Ų27.93%0.02615%0.147CC..G310 helixtrans-100.4-4.5174.857.2173147.4-154.30113.8V206 D207 V209 V212 Y237 E238 E323V206-K240 HydrophobicContact CG1-CD 4.21Å; V206-K240 WeakPolarHBondContact O-CE 3.26Å; V206-K240 PolarHBondContact O-NZ 3.05Å; D207-K240 PolarHBondContact O-NZ 3.28Å; V209-K240 VanDerWaalsContact O-CD 3.27Å; V209-K240 WeakPolarHBondContact O-CD 3.41Å; V209-K240 PolarHBondContact O-NZ 2.85Å; V209-K240 VanDerWaalsContact O-NZ 3.17Å; V212-K240 HydrophobicContact CG2-CD 4.22Å; V212-K240 HydrophobicContact CG2-CG 4.31Å; V212-K240 PolarHBondContact N-O 3.06Å; Y237-K240 VanDerWaalsContact CB-CE 3.48Å; Y237-K240 WeakPolarHBondContact O-CG 3.25Å; Y237-K240 PolarHBondContact O-N 2.92Å; E238-K240 PolarHBondContact O-N 3.44Å; E238-K240 VanDerWaalsContact O-N 3.14Å; K240-E323 IonicContact NZ-OE1 2.72Å; K240-E323 PolarHBondContact NZ-OE1 3.42Å
241I92.8Very high90.3Very high6 Ų631.3 Ų31.33%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-87.9133.9-178.5-59.6171.8000109.7V212 L234 E238 F243 M271V212-I241 HydrophobicContact CB-CG1 4.21Å; V212-I241 CarbonylContact O-C 3.52Å; V212-I241 WeakPolarHBondContact O-CA 3.44Å; L234-I241 HydrophobicContact CB-CD1 3.83Å; L234-I241 HydrophobicContact CD1-CD1 4.35Å; E238-I241 PolarHBondContact O-N 3.27Å; I241-F243 HydrophobicContact CG2-CD2 4.16Å; I241-F243 HydrophobicContact CG2-CE1 4.47Å; I241-F243 HydrophobicContact CG2-CE2 3.63Å; I241-F243 HydrophobicContact CG2-CZ 3.81Å; I241-M271 HydrophobicContact CD1-CE 4.49Å
242T94.9Very high90.4Very high3 Ų335.2 Ų35.22%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-133.6124.6174-61.60000108.1M211 V212 I213 F214 K278 F280 L305M211-T242 HydrophobicContact CE-CG2 4.16Å; V212-T242 PolarHBondContact O-N 3.39Å; I213-T242 CarbonylContact C-O 3.45Å; I213-T242 WeakPolarHBondContact CA-O 3.27Å; F214-T242 PolarHBondContact N-O 2.85Å; T242-K278 HydrophobicContact CG2-CB 4.31Å; T242-F280 HydrophobicContact CG2-CD2 3.39Å; T242-F280 HydrophobicContact CG2-CE2 3.43Å; T242-F280 VanDerWaalsContact CG2-CE2 3.43Å; T242-L305 HydrophobicContact CG2-CD1 4.34Å
243F95.6Very high90.8Very high2 Ų233 Ų331%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-90.2136.3176.7-66.1-86.6000109.9F214 L216 L231 I241 F263 L267 M271 P277 K278 V279 F280F214-F243 HydrophobicContact CB-CD1 3.71Å; F214-F243 HydrophobicContact CB-CE1 3.94Å; F214-F243 HydrophobicContact CB-CG 4.47Å; F214-F243 HydrophobicContact CD1-CD1 4.42Å; F214-F243 HydrophobicContact CD1-CE1 4.45Å; F214-F243 HydrophobicContact CD2-CE1 4.48Å; F214-F243 HydrophobicContact CG-CD1 4.15Å; F214-F243 HydrophobicContact CG-CE1 4.03Å; F214-F243 WeakPolarHBondContact O-CA 3.29Å; L216-F243 HydrophobicContact CD1-CD1 4.26Å; L231-F243 HydrophobicContact CD2-CE1 4.22Å; L231-F243 HydrophobicContact CD2-CZ 4.01Å; I241-F243 HydrophobicContact CG2-CD2 4.16Å; I241-F243 HydrophobicContact CG2-CE1 4.47Å; I241-F243 HydrophobicContact CG2-CE2 3.63Å; I241-F243 HydrophobicContact CG2-CZ 3.81Å; F243-F263 HydrophobicContact CB-CE1 4.21Å; F243-F263 HydrophobicContact CB-CZ 3.92Å; F243-F263 HydrophobicContact CD1-CE2 4.48Å; F243-F263 AromaticContact CD1-CZ 3.74Å; F243-F263 HydrophobicContact CD1-CZ 3.74Å; F243-F263 HydrophobicContact CE1-CZ 4.4Å; F243-F263 HydrophobicContact CG-CE1 4.38Å; F243-F263 AromaticContact CG-CZ 3.8Å; F243-F263 HydrophobicContact CG-CZ 3.8Å; F243-L267 HydrophobicContact CD2-CD2 3.78Å; F243-L267 HydrophobicContact CE1-CD1 4.27Å; F243-L267 HydrophobicContact CE2-CD1 4.07Å; F243-L267 HydrophobicContact CE2-CD2 3.6Å; F243-L267 HydrophobicContact CE2-CG 4.46Å; F243-L267 HydrophobicContact CG-CD2 4.35Å; F243-L267 HydrophobicContact CZ-CD1 3.71Å; F243-L267 HydrophobicContact CZ-CD2 4.02Å; F243-M271 HydrophobicContact CE2-SD 4.07Å; F243-M271 HydrophobicContact CZ-SD 3.96Å; F243-P277 HydrophobicContact CD2-CB 4.28Å; F243-P277 HydrophobicContact CE2-CB 4.32Å; F243-K278 PolarHBondContact N-O 3.48Å; F243-V279 HydrophobicContact CB-CG1 4.37Å; F243-V279 HydrophobicContact CB-CG2 4.27Å; F243-V279 CarbonylContact O-C 3.54Å; F243-V279 WeakPolarHBondContact O-CA 3.45Å; F243-F280 PolarHBondContact O-N 3.17Å
244V97.1Very high91.2Very high0 Ų031.6 Ų31.60%018%0.18CC..EExtended strand (participates in β ladder)trans-119.6107.3174.6172.30000107.9I213 F214 L216 N246 F280 F284 L305I213-V244 HydrophobicContact CG2-CB 4.22Å; I213-V244 HydrophobicContact CG2-CG2 3.52Å; F214-V244 PolarHBondContact O-N 3.02Å; L216-V244 PolarHBondContact N-O 3.42Å; V244-N246 HydrophobicContact CG1-CB 4.29Å; V244-N246 PolarHBondContact O-N 2.95Å; V244-F280 CarbonylContact C-O 3.33Å; V244-F280 WeakPolarHBondContact CA-O 3.37Å; V244-F280 HydrophobicContact CG2-CB 4.45Å; V244-F284 HydrophobicContact CG1-CD2 3.42Å; V244-F284 VanDerWaalsContact CG1-CD2 3.42Å; V244-F284 HydrophobicContact CG1-CE2 3.35Å; V244-F284 HydrophobicContact CG1-CG 4.12Å; V244-F284 HydrophobicContact CG1-CZ 3.95Å; V244-L305 HydrophobicContact CG2-CD2 4.15Å
245L96.6Very high91.4Very high0 Ų036.6 Ų36.60%020%0.202CC..EExtended strand (participates in β ladder)trans-81.889.6170.5-58.9-170.4000108.3L216 I218 Y260 F263 V279 F280 I281 G282L216-L245 HydrophobicContact CB-CD2 4.06Å; L216-L245 HydrophobicContact CD1-CD2 4.19Å; I218-L245 HydrophobicContact CB-CB 4.08Å; I218-L245 HydrophobicContact CD1-CB 4.17Å; I218-L245 HydrophobicContact CD1-CD1 4.22Å; I218-L245 HydrophobicContact CG1-CB 4.16Å; I218-L245 HydrophobicContact CG1-CD1 4.21Å; L245-Y260 HydrophobicContact CD1-CD2 3.81Å; L245-F263 HydrophobicContact CD1-CB 4.14Å; L245-F263 HydrophobicContact CD1-CD1 3.77Å; L245-F263 HydrophobicContact CD1-CE1 4.39Å; L245-F263 HydrophobicContact CD1-CG 3.94Å; L245-F263 HydrophobicContact CD2-CD1 3.94Å; L245-F263 HydrophobicContact CD2-CD2 3.8Å; L245-F263 HydrophobicContact CD2-CE1 4Å; L245-F263 HydrophobicContact CD2-CE2 3.89Å; L245-F263 HydrophobicContact CD2-CG 3.83Å; L245-F263 HydrophobicContact CD2-CZ 3.97Å; L245-F263 HydrophobicContact CG-CD1 4.25Å; L245-F263 HydrophobicContact CG-CE1 4.42Å; L245-F263 HydrophobicContact CG-CG 4.46Å; L245-V279 HydrophobicContact CD1-CG1 3.91Å; L245-V279 HydrophobicContact CG-CG1 3.81Å; L245-F280 PolarHBondContact N-O 3.02Å; L245-I281 HydrophobicContact CB-CG1 4.44Å; L245-I281 HydrophobicContact CB-CG2 4.45Å; L245-I281 HydrophobicContact CD1-CG1 4.33Å; L245-G282 PolarHBondContact O-N 2.98Å; L245-G282 VanDerWaalsContact O-N 3.1Å
246N96Very high91.9Very high9 Ų935.2 Ų35.25%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-83.1162.8-174.7-159.720000111.7T99 V215 L216 I218 V244 A248 G282 F284T99-N246 PolarHBondContact O-ND2 2.72Å; V215-N246 HydrophobicContact CG1-CB 3.95Å; L216-N246 WeakPolarHBondContact O-CA 3.46Å; L216-N246 WeakPolarHBondContact O-CB 3.4Å; L216-N246 PolarHBondContact O-N 3.24Å; I218-N246 WeakPolarHBondContact CG2-O 3.38Å; I218-N246 PolarHBondContact N-O 2.93Å; I218-N246 VanDerWaalsContact N-O 3.09Å; V244-N246 HydrophobicContact CG1-CB 4.29Å; V244-N246 PolarHBondContact O-N 2.95Å; N246-A248 VanDerWaalsContact C-N 3.28Å; N246-A248 PolarHBondContact O-N 3.39Å; N246-G282 CarbonylContact C-O 3.59Å; N246-G282 VanDerWaalsContact CA-O 3.24Å; N246-G282 WeakPolarHBondContact CA-O 3.41Å; N246-F284 PolarHBondContact OD1-N 3.31Å; N246-F284 VanDerWaalsContact OD1-N 3.08Å
247K93.9Very high92.4Very high52 Ų5236.7 Ų36.723%0.22619%0.191CC..  trans64.427.4178.5-47.4-172.7-164.6162.50114.2C98 D217 Y219 D249 I250 G282 S283C98-K247 VanDerWaalsContact O-CE 3.32Å; C98-K247 WeakPolarHBondContact O-CE 3.36Å; C98-K247 PolarHBondContact O-NZ 2.66Å; D217-K247 WeakPolarHBondContact OD2-CD 3.48Å; D217-K247 WeakPolarHBondContact OD2-CE 3.48Å; D217-K247 IonicContact OD2-NZ 2.62Å; D217-K247 PolarHBondContact OD2-NZ 3.48Å; Y219-K247 VanDerWaalsContact CE2-O 3.24Å; Y219-K247 WeakPolarHBondContact CE2-O 3.45Å; K247-D249 PolarHBondContact O-N 3.12Å; K247-D249 VanDerWaalsContact O-N 3.13Å; K247-I250 HydrophobicContact CB-CD1 3.66Å; K247-I250 HydrophobicContact CB-CG1 4.22Å; K247-I250 HydrophobicContact CD-CD1 3.97Å; K247-I250 HydrophobicContact CG-CD1 4.41Å; K247-I250 WeakPolarHBondContact O-CG1 3.36Å; K247-I250 PolarHBondContact O-N 3.31Å; K247-G282 PolarHBondContact N-O 3.05Å; K247-S283 VanDerWaalsContact CA-OG 3.24Å; K247-S283 WeakPolarHBondContact CA-OG 3.4Å
248A93.7Very high92.8Very high0 Ų042.5 Ų42.50%022%0.217CC..THydrogen-bonded Turntrans-68.4-7.1-178.800000114.3I218 Y219 N246 V256 I281 G282 S283 I291 F298I218-A248 HydrophobicContact CD1-CB 4.17Å; I218-A248 HydrophobicContact CG2-CB 4.24Å; Y219-A248 PolarHBondContact OH-O 2.9Å; Y219-A248 VanDerWaalsContact OH-O 3.08Å; N246-A248 VanDerWaalsContact C-N 3.28Å; N246-A248 PolarHBondContact O-N 3.39Å; A248-V256 HydrophobicContact CB-CG1 4.45Å; A248-V256 WeakPolarHBondContact O-CG2 3.47Å; A248-I281 HydrophobicContact CB-CG2 3.57Å; A248-G282 PolarHBondContact N-O 2.99Å; A248-S283 PolarHBondContact N-OG 3.05Å; A248-I291 VanDerWaalsContact O-CD1 3.29Å; A248-I291 WeakPolarHBondContact O-CD1 3.23Å; A248-F298 HydrophobicContact CB-CE1 3.82Å; A248-F298 HydrophobicContact CB-CE2 4.3Å; A248-F298 HydrophobicContact CB-CZ 3.57Å
249D92.2Very high93.1Very high5 Ų539.7 Ų39.73%0.02721%0.205CC..THydrogen-bonded Turntrans-898.917773.5-28.6000114.5K247 S283 R290 F298K247-D249 PolarHBondContact O-N 3.12Å; K247-D249 VanDerWaalsContact O-N 3.13Å; D249-S283 PolarHBondContact N-OG 3.02Å; D249-S283 WeakPolarHBondContact OD1-CB 3.43Å; D249-S283 PolarHBondContact OD1-OG 3.32Å; D249-R290 HydrophobicContact CB-CB 4.32Å; D249-R290 WeakPolarHBondContact O-CB 3.49Å; D249-R290 WeakPolarHBondContact O-CD 2.98Å; D249-F298 HydrophobicContact CB-CE2 4.17Å
250I90.1Very high93.5Very high77 Ų7740.4 Ų40.440%0.39521%0.206SC..SBendtrans-84.5-35-177.2-62.5177.2000112.9Y219 K247Y219-I250 HydrophobicContact CE2-CB 3.9Å; K247-I250 HydrophobicContact CB-CD1 3.66Å; K247-I250 HydrophobicContact CB-CG1 4.22Å; K247-I250 HydrophobicContact CD-CD1 3.97Å; K247-I250 HydrophobicContact CG-CD1 4.41Å; K247-I250 WeakPolarHBondContact O-CG1 3.36Å; K247-I250 PolarHBondContact O-N 3.31Å
251H90.1Very high93.5Very high77 Ų7745 Ų4536%0.35623%0.231SC..SBendtrans-120.4179.1-173.7-64.6-50000112.6Y219 K255 I291Y219-H251 AromaticContact CD1-CD2 3.63Å; Y219-H251 AromaticContact CD2-CD2 3.51Å; Y219-H251 HydrophobicContact CE1-CB 3.96Å; Y219-H251 AromaticContact CE1-CD2 3.62Å; Y219-H251 HydrophobicContact CE2-CB 4.32Å; Y219-H251 AromaticContact CE2-CD2 3.48Å; Y219-H251 VanDerWaalsContact CE2-CD2 3.48Å; Y219-H251 WeakPolarHBondContact CE2-CD2 3.48Å; Y219-H251 AromaticContact CG-CD2 3.56Å; Y219-H251 AromaticContact CZ-CD2 3.53Å; Y219-H251 AromaticContact CZ-CG 3.95Å; Y219-H251 WeakPolarHBondContact OH-CB 3.46Å; Y219-H251 PolarHBondContact OH-N 2.66Å; H251-K255 HydrophobicContact CB-CB 3.95Å; H251-K255 HydrophobicContact CB-CD 3.72Å; H251-K255 HydrophobicContact CB-CG 4.5Å; H251-I291 WeakPolarHBondContact O-CD1 3.46Å
252D90.4Very high93.5Very high83 Ų8349.3 Ų49.344%0.44425%0.251SS..  trans-67.9165.8178.957.543.2000113.5A254 K255 V256D252-A254 VanDerWaalsContact C-N 3.26Å; D252-A254 PolarHBondContact O-N 3.04Å; D252-A254 PolarHBondContact OD1-N 2.99Å; D252-K255 PolarHBondContact O-N 3.02Å; D252-K255 VanDerWaalsContact OD1-CB 3.27Å; D252-K255 WeakPolarHBondContact OD1-CB 3.4Å; D252-K255 VanDerWaalsContact OD1-CG 3.24Å; D252-K255 WeakPolarHBondContact OD1-CG 3.43Å; D252-K255 PolarHBondContact OD1-N 2.73Å; D252-V256 WeakPolarHBondContact O-CG2 3.48Å; D252-V256 PolarHBondContact O-N 3.49Å; D252-V256 VanDerWaalsContact O-N 3.14Å
253V93.3Very high93.4Very high47 Ų4749.2 Ų49.229%0.28525%0.25SS..Hα-helixtrans-55.5-40.2179.5-178.60000112K255 V256 N257 I291 E293 L294V253-K255 PolarHBondContact O-N 2.75Å; V253-V256 PolarHBondContact O-N 3.13Å; V253-N257 PolarHBondContact O-N 3.28Å; V253-I291 HydrophobicContact CG2-CG2 3.96Å; V253-E293 HydrophobicContact CG2-CB 4.16Å; V253-L294 HydrophobicContact CB-CD1 4.43Å; V253-L294 HydrophobicContact CG1-CD1 4.3Å; V253-L294 HydrophobicContact CG1-CD2 4.22Å; V253-L294 HydrophobicContact CG1-CG 4.39Å; V253-L294 HydrophobicContact CG2-CD1 4.15Å; V253-L294 HydrophobicContact CG2-CG 4.07Å
254A93.7Very high93.2Very high72 Ų7251.5 Ų51.560%0.59526%0.264SS*.Hα-helixtrans-63.4-42.3-178.800000112.1D252 K258D252-A254 VanDerWaalsContact C-N 3.26Å; D252-A254 PolarHBondContact O-N 3.04Å; D252-A254 PolarHBondContact OD1-N 2.99Å; A254-K258 WeakPolarHBondContact O-CB 3.33Å; A254-K258 PolarHBondContact O-N 3.41Å
255K93.4Very high92.8Very high106 Ų10658.8 Ų58.846%0.46129%0.292SS..Hα-helixtrans-67.9-37.1176.1-76.8171.5177.6177.40112.4Y219 H251 D252 V253 A259Y219-K255 HydrophobicContact CE1-CB 4.22Å; H251-K255 HydrophobicContact CB-CB 3.95Å; H251-K255 HydrophobicContact CB-CD 3.72Å; H251-K255 HydrophobicContact CB-CG 4.5Å; D252-K255 PolarHBondContact O-N 3.02Å; D252-K255 VanDerWaalsContact OD1-CB 3.27Å; D252-K255 WeakPolarHBondContact OD1-CB 3.4Å; D252-K255 VanDerWaalsContact OD1-CG 3.24Å; D252-K255 WeakPolarHBondContact OD1-CG 3.43Å; D252-K255 PolarHBondContact OD1-N 2.73Å; V253-K255 PolarHBondContact O-N 2.75Å; K255-A259 VanDerWaalsContact O-CB 3.24Å; K255-A259 WeakPolarHBondContact O-CB 3.39Å; K255-A259 PolarHBondContact O-N 3.32Å
256V93.6Very high92.4Very high2 Ų259.7 Ų59.71%0.01230%0.298CS..Hα-helixtrans-61.8-51.3175.31750000110.5I218 Y219 A248 D252 V253 K258 A259 Y260 I281 I291 L294I218-V256 HydrophobicContact CD1-CG1 4.08Å; Y219-V256 HydrophobicContact CE1-CG2 4.43Å; Y219-V256 WeakPolarHBondContact OH-CG2 3.46Å; A248-V256 HydrophobicContact CB-CG1 4.45Å; A248-V256 WeakPolarHBondContact O-CG2 3.47Å; D252-V256 WeakPolarHBondContact O-CG2 3.48Å; D252-V256 PolarHBondContact O-N 3.49Å; D252-V256 VanDerWaalsContact O-N 3.14Å; V253-V256 PolarHBondContact O-N 3.13Å; V256-K258 PolarHBondContact O-N 3.24Å; V256-A259 PolarHBondContact O-N 3.06Å; V256-Y260 WeakPolarHBondContact O-CB 3.32Å; V256-Y260 PolarHBondContact O-N 3.4Å; V256-I281 HydrophobicContact CG1-CG2 4.29Å; V256-I291 HydrophobicContact CG2-CD1 4.3Å; V256-L294 HydrophobicContact CB-CD1 4.05Å; V256-L294 HydrophobicContact CG1-CD1 4Å; V256-L294 HydrophobicContact CG2-CD1 4.05Å
257N93.2Very high92Very high80 Ų8059.3 Ų59.343%0.42830%0.296SS..Hα-helixtrans-61.5-47.3-179.3-71.6-15.7000111.6V253 A259 Y260 D261V253-N257 PolarHBondContact O-N 3.28Å; N257-A259 VanDerWaalsContact C-N 3.34Å; N257-A259 PolarHBondContact O-N 2.95Å; N257-Y260 WeakPolarHBondContact O-CB 3.34Å; N257-Y260 PolarHBondContact O-N 2.87Å; N257-D261 PolarHBondContact O-N 3.01Å
258K94.4Very high91.6Very high133 Ų13360.5 Ų60.558%0.57831%0.311SS*.Hα-helixtrans-57.4-46.3176.7-178.1178.7174.61790112.2A254 V256 Y260 D261 E262A254-K258 WeakPolarHBondContact O-CB 3.33Å; A254-K258 PolarHBondContact O-N 3.41Å; V256-K258 PolarHBondContact O-N 3.24Å; K258-Y260 VanDerWaalsContact C-N 3.33Å; K258-Y260 PolarHBondContact O-N 3.47Å; K258-D261 PolarHBondContact O-N 3.47Å; K258-E262 WeakPolarHBondContact CE-OE1 3.29Å; K258-E262 IonicContact NZ-OE1 3.96Å; K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.46Å; K258-E262 PolarHBondContact O-N 3.29Å
259A93.9Very high91.2Very high10 Ų1067.7 Ų67.78%0.08334%0.338CS..Hα-helixtrans-67.5-34.4-179.600000112.4I218 Y219 K255 V256 N257 F263I218-A259 HydrophobicContact CD1-CB 4.29Å; I218-A259 HydrophobicContact CG1-CB 3.76Å; Y219-A259 HydrophobicContact CD1-CB 4.32Å; K255-A259 VanDerWaalsContact O-CB 3.24Å; K255-A259 WeakPolarHBondContact O-CB 3.39Å; K255-A259 PolarHBondContact O-N 3.32Å; V256-A259 PolarHBondContact O-N 3.06Å; N257-A259 VanDerWaalsContact C-N 3.34Å; N257-A259 PolarHBondContact O-N 2.95Å; A259-F263 WeakPolarHBondContact O-CB 3.34Å; A259-F263 PolarHBondContact O-N 2.97Å
260Y93.5Very high90.8Very high79 Ų7968.7 Ų68.731%0.3134%0.344SS..Hα-helixtrans-64.4-47.7173.3176.8-104000112L245 V256 N257 K258 E262 F263 V264 V279 I281L245-Y260 HydrophobicContact CD1-CD2 3.81Å; V256-Y260 WeakPolarHBondContact O-CB 3.32Å; V256-Y260 PolarHBondContact O-N 3.4Å; N257-Y260 WeakPolarHBondContact O-CB 3.34Å; N257-Y260 PolarHBondContact O-N 2.87Å; K258-Y260 VanDerWaalsContact C-N 3.33Å; K258-Y260 PolarHBondContact O-N 3.47Å; Y260-E262 PolarHBondContact O-N 2.84Å; Y260-F263 WeakPolarHBondContact O-CB 3.48Å; Y260-F263 PolarHBondContact O-N 3.16Å; Y260-V264 HydrophobicContact CD1-CG2 4.34Å; Y260-V264 HydrophobicContact CD2-CG2 4.3Å; Y260-V264 HydrophobicContact CE1-CG2 3.89Å; Y260-V264 HydrophobicContact CE2-CG2 3.86Å; Y260-V264 WeakPolarHBondContact O-CG2 3.5Å; Y260-V264 PolarHBondContact O-N 2.86Å; Y260-V279 HydrophobicContact CD2-CG1 4.5Å; Y260-V279 HydrophobicContact CE2-CB 4.33Å; Y260-V279 HydrophobicContact CE2-CG1 3.94Å; Y260-I281 HydrophobicContact CD2-CD1 3.17Å; Y260-I281 HydrophobicContact CD2-CG1 3.85Å; Y260-I281 HydrophobicContact CE2-CD1 3.53Å; Y260-I281 HydrophobicContact CE2-CG1 4.07Å; Y260-I281 HydrophobicContact CG-CD1 3.71Å
261D92.2Very high90.3Very high103 Ų10366 Ų6655%0.55133%0.329SS*.Hα-helixtrans-61.8-44.3179-68.1-22.5000111.4N257 K258 F263 V264 W265N257-D261 PolarHBondContact O-N 3.01Å; K258-D261 PolarHBondContact O-N 3.47Å; D261-F263 PolarHBondContact O-N 3.5Å; D261-V264 PolarHBondContact O-N 2.84Å; D261-W265 WeakPolarHBondContact O-CB 3.3Å; D261-W265 PolarHBondContact O-N 2.78Å
262E92.4Very high89.3Confident96 Ų9667.9 Ų67.945%0.44935%0.351SS..Hα-helixtrans-60.2-34.9174-74.8179.1-171.300112.1Y221 K258 Y260 S266Y221-E262 WeakPolarHBondContact OH-CB 3.26Å; Y221-E262 PolarHBondContact OH-O 3.46Å; K258-E262 WeakPolarHBondContact CE-OE1 3.29Å; K258-E262 IonicContact NZ-OE1 3.96Å; K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.46Å; K258-E262 PolarHBondContact O-N 3.29Å; Y260-E262 PolarHBondContact O-N 2.84Å; E262-S266 VanDerWaalsContact O-CB 3.25Å; E262-S266 WeakPolarHBondContact O-CB 3.41Å; E262-S266 PolarHBondContact O-N 2.85Å; E262-S266 PolarHBondContact O-OG 3.37Å
263F92.9Very high88.4Confident0 Ų065.7 Ų65.70%034%0.343CS..Hα-helixtrans-70.5-51.2179.3173.9-99.8000111L216 Y221 F223 F243 L245 A259 Y260 D261 W265 S266 L267 V279L216-F263 HydrophobicContact CD1-CD2 4.14Å; L216-F263 HydrophobicContact CD1-CE2 3.3Å; L216-F263 HydrophobicContact CD1-CZ 3.94Å; Y221-F263 HydrophobicContact CD1-CD2 4.43Å; Y221-F263 HydrophobicContact CD2-CD2 4.15Å; Y221-F263 HydrophobicContact CE1-CB 3.94Å; Y221-F263 HydrophobicContact CE1-CD2 4.27Å; Y221-F263 HydrophobicContact CE2-CB 4.42Å; Y221-F263 HydrophobicContact CE2-CD2 4Å; Y221-F263 HydrophobicContact CG-CD2 4.39Å; Y221-F263 WeakPolarHBondContact OH-CA 3.45Å; Y221-F263 PolarHBondContact OH-N 3.44Å; F223-F263 HydrophobicContact CE2-CD2 4.41Å; F223-F263 HydrophobicContact CE2-CE2 4.48Å; F223-F263 HydrophobicContact CZ-CD2 4.05Å; F223-F263 AromaticContact CZ-CE2 3.69Å; F223-F263 HydrophobicContact CZ-CE2 3.69Å; F243-F263 HydrophobicContact CB-CE1 4.21Å; F243-F263 HydrophobicContact CB-CZ 3.92Å; F243-F263 HydrophobicContact CD1-CE2 4.48Å; F243-F263 AromaticContact CD1-CZ 3.74Å; F243-F263 HydrophobicContact CD1-CZ 3.74Å; F243-F263 HydrophobicContact CE1-CZ 4.4Å; F243-F263 HydrophobicContact CG-CE1 4.38Å; F243-F263 AromaticContact CG-CZ 3.8Å; F243-F263 HydrophobicContact CG-CZ 3.8Å; L245-F263 HydrophobicContact CD1-CB 4.14Å; L245-F263 HydrophobicContact CD1-CD1 3.77Å; L245-F263 HydrophobicContact CD1-CE1 4.39Å; L245-F263 HydrophobicContact CD1-CG 3.94Å; L245-F263 HydrophobicContact CD2-CD1 3.94Å; L245-F263 HydrophobicContact CD2-CD2 3.8Å; L245-F263 HydrophobicContact CD2-CE1 4Å; L245-F263 HydrophobicContact CD2-CE2 3.89Å; L245-F263 HydrophobicContact CD2-CG 3.83Å; L245-F263 HydrophobicContact CD2-CZ 3.97Å; L245-F263 HydrophobicContact CG-CD1 4.25Å; L245-F263 HydrophobicContact CG-CE1 4.42Å; L245-F263 HydrophobicContact CG-CG 4.46Å; A259-F263 WeakPolarHBondContact O-CB 3.34Å; A259-F263 PolarHBondContact O-N 2.97Å; Y260-F263 WeakPolarHBondContact O-CB 3.48Å; Y260-F263 PolarHBondContact O-N 3.16Å; D261-F263 PolarHBondContact O-N 3.5Å; F263-W265 VanDerWaalsContact C-N 3.3Å; F263-W265 PolarHBondContact O-N 3.33Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-S266 VanDerWaalsContact O-N 3.11Å; F263-L267 HydrophobicContact CE1-CD2 3.8Å; F263-L267 HydrophobicContact CZ-CD2 3.79Å; F263-L267 WeakPolarHBondContact O-CB 3.34Å; F263-L267 PolarHBondContact O-N 3.47Å; F263-V279 HydrophobicContact CD1-CG1 4.17Å; F263-V279 HydrophobicContact CD1-CG2 4.48Å; F263-V279 HydrophobicContact CE1-CG1 3.83Å; F263-V279 HydrophobicContact CE1-CG2 3.78Å
264V89.8Confident86.9Confident50 Ų5070.6 Ų70.630%0.30337%0.373SS..Hα-helixtrans-58.7-44.1178.5173.60000110.4Y260 D261 S266 L267 S268Y260-V264 HydrophobicContact CD1-CG2 4.34Å; Y260-V264 HydrophobicContact CD2-CG2 4.3Å; Y260-V264 HydrophobicContact CE1-CG2 3.89Å; Y260-V264 HydrophobicContact CE2-CG2 3.86Å; Y260-V264 WeakPolarHBondContact O-CG2 3.5Å; Y260-V264 PolarHBondContact O-N 2.86Å; D261-V264 PolarHBondContact O-N 2.84Å; V264-S266 VanDerWaalsContact C-N 3.34Å; V264-S266 PolarHBondContact O-N 3.48Å; V264-L267 PolarHBondContact O-N 2.79Å; V264-S268 PolarHBondContact O-N 3.07Å; V264-S268 PolarHBondContact O-OG 2.82Å
265W88.9Confident86Confident153 Ų15369.9 Ų69.958%0.5837%0.367SS*.Hα-helixtrans-65.4-34.8176.6-173.183.9000113.4D261 F263 S268 R269D261-W265 WeakPolarHBondContact O-CB 3.3Å; D261-W265 PolarHBondContact O-N 2.78Å; F263-W265 VanDerWaalsContact C-N 3.3Å; F263-W265 PolarHBondContact O-N 3.33Å; W265-S268 PolarHBondContact O-OG 3.14Å; W265-R269 VanDerWaalsContact CE3-NH2 3.32Å; W265-R269 VanDerWaalsContact CZ3-NE 3.34Å; W265-R269 WeakPolarHBondContact O-CG 3.49Å; W265-R269 PolarHBondContact O-NE 3.05Å
266S89.2Confident85.2Confident19 Ų1970 Ų7013%0.13338%0.382CS..Hα-helixtrans-73-38.3176.3-63.60000111.9E262 F263 V264 R269 L270E262-S266 VanDerWaalsContact O-CB 3.25Å; E262-S266 WeakPolarHBondContact O-CB 3.41Å; E262-S266 PolarHBondContact O-N 2.85Å; E262-S266 PolarHBondContact O-OG 3.37Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-S266 VanDerWaalsContact O-N 3.11Å; V264-S266 VanDerWaalsContact C-N 3.34Å; V264-S266 PolarHBondContact O-N 3.48Å; S266-R269 PolarHBondContact O-N 2.72Å; S266-R269 PolarHBondContact OG-NH2 3.26Å; S266-L270 WeakPolarHBondContact O-CG 3.39Å
267L88.2Confident84.6Confident2 Ų272.1 Ų72.11%0.0140%0.395CS..Hα-helixtrans-70.1-39.4-179-173.157.9000112.2F243 F263 V264 R269 L270 M271 P277F243-L267 HydrophobicContact CD2-CD2 3.78Å; F243-L267 HydrophobicContact CE1-CD1 4.27Å; F243-L267 HydrophobicContact CE2-CD1 4.07Å; F243-L267 HydrophobicContact CE2-CD2 3.6Å; F243-L267 HydrophobicContact CE2-CG 4.46Å; F243-L267 HydrophobicContact CG-CD2 4.35Å; F243-L267 HydrophobicContact CZ-CD1 3.71Å; F243-L267 HydrophobicContact CZ-CD2 4.02Å; F263-L267 HydrophobicContact CE1-CD2 3.8Å; F263-L267 HydrophobicContact CZ-CD2 3.79Å; F263-L267 WeakPolarHBondContact O-CB 3.34Å; F263-L267 PolarHBondContact O-N 3.47Å; V264-L267 PolarHBondContact O-N 2.79Å; L267-R269 PolarHBondContact O-N 2.81Å; L267-L270 PolarHBondContact O-N 2.98Å; L267-M271 HydrophobicContact CD1-CG 3.96Å; L267-M271 HydrophobicContact CD1-SD 3.71Å; L267-M271 HydrophobicContact CG-SD 4.43Å; L267-M271 PolarHBondContact O-N 2.82Å; L267-P277 HydrophobicContact CD2-CB 3.52Å; L267-P277 HydrophobicContact CD2-CG 3.47Å; L267-P277 VanDerWaalsContact CD2-CG 3.47Å; L267-P277 HydrophobicContact CG-CB 4.47Å; L267-P277 HydrophobicContact CG-CG 4.24Å
268S84.6Confident84.5Confident77 Ų7773.1 Ų73.154%0.53840%0.396SS..Hα-helixtrans-62-27.2177.565.60000113.5V264 W265V264-S268 PolarHBondContact O-N 3.07Å; V264-S268 PolarHBondContact O-OG 2.82Å; W265-S268 PolarHBondContact O-OG 3.14Å
269R84.9Confident84.5Confident150 Ų15067.6 Ų67.657%0.56637%0.373SS*.THydrogen-bonded Turntrans-79.5-18.6174.1-65.3-178.4-62.1158.33113.5W265 S266 L267W265-R269 VanDerWaalsContact CE3-NH2 3.32Å; W265-R269 VanDerWaalsContact CZ3-NE 3.34Å; W265-R269 WeakPolarHBondContact O-CG 3.49Å; W265-R269 PolarHBondContact O-NE 3.05Å; S266-R269 PolarHBondContact O-N 2.72Å; S266-R269 PolarHBondContact OG-NH2 3.26Å; L267-R269 PolarHBondContact O-N 2.81Å
270L84.5Confident84.6Confident27 Ų2767.5 Ų67.514%0.14137%0.371CS..THydrogen-bonded Turntrans-98.5-41.2-176.9-67.1175.5000112.1F223 K228 L231 N232 S266 L267F223-L270 HydrophobicContact CB-CD1 3.86Å; F223-L270 HydrophobicContact CD1-CD1 3.34Å; F223-L270 HydrophobicContact CD2-CD1 3.89Å; F223-L270 HydrophobicContact CE1-CD1 3.71Å; F223-L270 HydrophobicContact CE2-CD1 4.22Å; F223-L270 HydrophobicContact CG-CD1 3.43Å; F223-L270 VanDerWaalsContact CG-CD1 3.43Å; F223-L270 HydrophobicContact CZ-CD1 4.14Å; K228-L270 HydrophobicContact CB-CD2 4.11Å; K228-L270 HydrophobicContact CD-CD2 3.73Å; K228-L270 HydrophobicContact CG-CD1 4.36Å; K228-L270 HydrophobicContact CG-CD2 3.57Å; L231-L270 HydrophobicContact CD1-CD1 4.17Å; N232-L270 PolarHBondContact OD1-O 3.23Å; N232-L270 VanDerWaalsContact OD1-O 3.1Å; S266-L270 WeakPolarHBondContact O-CG 3.39Å; L267-L270 PolarHBondContact O-N 2.98Å
271M79.3Confident84.7Confident19 Ų1964.1 Ų64.19%0.09436%0.358CS..  trans-104.2115.9179.6-65.4-17466.900109E238 I241 F243 L267 S273E238-M271 HydrophobicContact CB-CE 3.79Å; I241-M271 HydrophobicContact CD1-CE 4.49Å; F243-M271 HydrophobicContact CE2-SD 4.07Å; F243-M271 HydrophobicContact CZ-SD 3.96Å; L267-M271 HydrophobicContact CD1-CG 3.96Å; L267-M271 HydrophobicContact CD1-SD 3.71Å; L267-M271 HydrophobicContact CG-SD 4.43Å; L267-M271 PolarHBondContact O-N 2.82Å; M271-S273 PolarHBondContact O-N 3.03Å
272S69.3Low84.8Confident117 Ų11759.2 Ų59.282%0.81833%0.332SS*.  trans-74.726.8175.660.40000113.2
273S70.6Confident84.8Confident37 Ų3755 Ų5526%0.25931%0.313SS..  trans-68.9142.4-177.8-167.20000110.6E238 M271 A275E238-S273 PolarHBondContact OE1-OG 3.4Å; E238-S273 WeakPolarHBondContact OE2-CB 3.26Å; E238-S273 PolarHBondContact OE2-OG 3.25Å; M271-S273 PolarHBondContact O-N 3.03Å; S273-A275 VanDerWaalsContact C-N 3.31Å; S273-A275 PolarHBondContact OG-N 2.84Å; S273-A275 VanDerWaalsContact OG-N 3.08Å; S273-A275 PolarHBondContact OG-O 3.07Å
274T62.5Low84.8Confident150 Ų15055.1 Ų55.192%0.9231%0.313SS*.SBendtrans-80.6-16.5166.553.70000112
275A73.8Confident84.7Confident57 Ų5756.9 Ų56.947%0.47132%0.315SS..SBendtrans-93.7144.1-18000000111.3S273S273-A275 VanDerWaalsContact C-N 3.31Å; S273-A275 PolarHBondContact OG-N 2.84Å; S273-A275 VanDerWaalsContact OG-N 3.08Å; S273-A275 PolarHBondContact OG-O 3.07Å
276S76.7Confident84.5Confident110 Ų11055.2 Ų55.277%0.76933%0.327SS*.PPolyproline II helixtrans-62.9128.7171.4-171.20000109.6
277P81.9Confident84.4Confident46 Ų4657.2 Ų57.230%0.29934%0.341SS..PPolyproline II helixtrans-62.4142.3177.125.5-32.3000110.2F243 L267 V279F243-P277 HydrophobicContact CD2-CB 4.28Å; F243-P277 HydrophobicContact CE2-CB 4.32Å; L267-P277 HydrophobicContact CD2-CB 3.52Å; L267-P277 HydrophobicContact CD2-CG 3.47Å; L267-P277 VanDerWaalsContact CD2-CG 3.47Å; L267-P277 HydrophobicContact CG-CB 4.47Å; L267-P277 HydrophobicContact CG-CG 4.24Å; P277-V279 HydrophobicContact CB-CG2 4.24Å; P277-V279 HydrophobicContact CG-CG2 4.21Å; P277-V279 PolarHBondContact O-N 3.35Å
278K90.9Very high84.3Confident100 Ų10062.4 Ų62.444%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-73.9112.3172.9-67.1178.4179.6179.10108.9T242 F243T242-K278 HydrophobicContact CG2-CB 4.31Å; F243-K278 PolarHBondContact N-O 3.48Å
279V94.7Very high84.5Confident18 Ų1860.4 Ų60.411%0.10936%0.36CS..EExtended strand (participates in β ladder)trans-126.1124.1-178.3-171.20000109.3F243 L245 Y260 F263 P277F243-V279 HydrophobicContact CB-CG1 4.37Å; F243-V279 HydrophobicContact CB-CG2 4.27Å; F243-V279 CarbonylContact O-C 3.54Å; F243-V279 WeakPolarHBondContact O-CA 3.45Å; L245-V279 HydrophobicContact CD1-CG1 3.91Å; L245-V279 HydrophobicContact CG-CG1 3.81Å; Y260-V279 HydrophobicContact CD2-CG1 4.5Å; Y260-V279 HydrophobicContact CE2-CB 4.33Å; Y260-V279 HydrophobicContact CE2-CG1 3.94Å; F263-V279 HydrophobicContact CD1-CG1 4.17Å; F263-V279 HydrophobicContact CD1-CG2 4.48Å; F263-V279 HydrophobicContact CE1-CG1 3.83Å; F263-V279 HydrophobicContact CE1-CG2 3.78Å; P277-V279 HydrophobicContact CB-CG2 4.24Å; P277-V279 HydrophobicContact CG-CG2 4.21Å; P277-V279 PolarHBondContact O-N 3.35Å
280F96.5Very high84.7Confident7 Ų761 Ų613%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-110.9138.3172.3-64.5-56.6000110.3T242 F243 V244 L245 F284 H301 E304 L305T242-F280 HydrophobicContact CG2-CD2 3.39Å; T242-F280 HydrophobicContact CG2-CE2 3.43Å; T242-F280 VanDerWaalsContact CG2-CE2 3.43Å; F243-F280 PolarHBondContact O-N 3.17Å; V244-F280 CarbonylContact C-O 3.33Å; V244-F280 WeakPolarHBondContact CA-O 3.37Å; V244-F280 HydrophobicContact CG2-CB 4.45Å; L245-F280 PolarHBondContact N-O 3.02Å; F280-F284 HydrophobicContact CB-CZ 3.94Å; F280-H301 HydrophobicContact CB-CB 4.25Å; F280-H301 HydrophobicContact CD1-CB 4Å; F280-E304 HydrophobicContact CE1-CB 3.77Å; F280-E304 VanDerWaalsContact CE1-CD 3.5Å; F280-E304 HydrophobicContact CE1-CG 3.76Å; F280-E304 HydrophobicContact CZ-CB 4.1Å; F280-E304 HydrophobicContact CZ-CG 3.81Å; F280-L305 HydrophobicContact CD2-CB 3.97Å; F280-L305 HydrophobicContact CD2-CD1 3.94Å; F280-L305 HydrophobicContact CD2-CG 4.45Å; F280-L305 HydrophobicContact CE2-CB 4.01Å; F280-L305 HydrophobicContact CE2-CD1 3.93Å; F280-L305 HydrophobicContact CG-CB 4.5Å
281I95.3Very high84.9Confident9 Ų960.3 Ų60.35%0.04636%0.359CS..EExtended strand (participates in β ladder)trans-118.8133.7-178.2-46.7172.3000108.9I218 L245 A248 V256 Y260 F298 H301I218-I281 HydrophobicContact CD1-CG2 3.98Å; L245-I281 HydrophobicContact CB-CG1 4.44Å; L245-I281 HydrophobicContact CB-CG2 4.45Å; L245-I281 HydrophobicContact CD1-CG1 4.33Å; A248-I281 HydrophobicContact CB-CG2 3.57Å; V256-I281 HydrophobicContact CG1-CG2 4.29Å; Y260-I281 HydrophobicContact CD2-CD1 3.17Å; Y260-I281 HydrophobicContact CD2-CG1 3.85Å; Y260-I281 HydrophobicContact CE2-CD1 3.53Å; Y260-I281 HydrophobicContact CE2-CG1 4.07Å; Y260-I281 HydrophobicContact CG-CD1 3.71Å; I281-F298 HydrophobicContact CG2-CD1 4.48Å; I281-F298 HydrophobicContact CG2-CE1 3.92Å; I281-F298 WeakPolarHBondContact O-CD1 3.17Å; I281-H301 PolarHBondContact N-ND1 3.23Å; I281-H301 WeakPolarHBondContact O-CB 3.45Å; I281-H301 PolarHBondContact O-ND1 2.67Å
282G93.6Very high85.4Confident0 Ų064.1 Ų64.10%039%0.385CS..SBendtrans161.3-161.8173.200000112.6L245 N246 K247 A248L245-G282 PolarHBondContact O-N 2.98Å; L245-G282 VanDerWaalsContact O-N 3.1Å; N246-G282 CarbonylContact C-O 3.59Å; N246-G282 VanDerWaalsContact CA-O 3.24Å; N246-G282 WeakPolarHBondContact CA-O 3.41Å; K247-G282 PolarHBondContact N-O 3.05Å; A248-G282 PolarHBondContact N-O 2.99Å
283S92.9Very high86.5Confident8 Ų865.4 Ų65.46%0.05638%0.378CS..  trans-123.3104.4172.9-67.60000109.6K247 A248 D249 W285 Q302K247-S283 VanDerWaalsContact CA-OG 3.24Å; K247-S283 WeakPolarHBondContact CA-OG 3.4Å; A248-S283 PolarHBondContact N-OG 3.05Å; D249-S283 PolarHBondContact N-OG 3.02Å; D249-S283 WeakPolarHBondContact OD1-CB 3.43Å; D249-S283 PolarHBondContact OD1-OG 3.32Å; S283-W285 VanDerWaalsContact O-CD1 3.29Å; S283-W285 PolarHBondContact O-N 3.2Å; S283-Q302 PolarHBondContact O-NE2 3.05Å; S283-Q302 VanDerWaalsContact O-NE2 3.14Å
284F92.6Very high87.5Confident1 Ų164.4 Ų64.40%0.00437%0.37CS..  trans-88.874.3-167.7-66.6-101.7000111.2L104 Y107 V244 N246 F280 Q302 L305L104-F284 HydrophobicContact CD1-CB 3.51Å; L104-F284 HydrophobicContact CD1-CD1 3.91Å; L104-F284 HydrophobicContact CD1-CG 3.91Å; Y107-F284 HydrophobicContact CD1-CB 4.47Å; Y107-F284 HydrophobicContact CE1-CD1 4.45Å; V244-F284 HydrophobicContact CG1-CD2 3.42Å; V244-F284 VanDerWaalsContact CG1-CD2 3.42Å; V244-F284 HydrophobicContact CG1-CE2 3.35Å; V244-F284 HydrophobicContact CG1-CG 4.12Å; V244-F284 HydrophobicContact CG1-CZ 3.95Å; N246-F284 PolarHBondContact OD1-N 3.31Å; N246-F284 VanDerWaalsContact OD1-N 3.08Å; F280-F284 HydrophobicContact CB-CZ 3.94Å; F284-Q302 HydrophobicContact CD1-CG 3.89Å; F284-Q302 HydrophobicContact CE1-CB 4.37Å; F284-Q302 HydrophobicContact CE1-CG 3.76Å; F284-Q302 HydrophobicContact CZ-CG 4.25Å; F284-L305 HydrophobicContact CD1-CD2 3.66Å; F284-L305 HydrophobicContact CE1-CB 4.18Å; F284-L305 HydrophobicContact CE1-CD2 3.4Å; F284-L305 HydrophobicContact CE1-CG 4.42Å; F284-L305 HydrophobicContact CZ-CD2 4.33Å
285W87.4Confident89Confident87 Ų8761.9 Ų61.933%0.3335%0.346SS..SBendtrans-155.3175-179.762.1-4.4000110.7T103 S283 S287T103-W285 HydrophobicContact CG2-CB 3.83Å; S283-W285 VanDerWaalsContact O-CD1 3.29Å; S283-W285 PolarHBondContact O-N 3.2Å; W285-S287 VanDerWaalsContact C-N 3.29Å; W285-S287 PolarHBondContact O-N 3.42Å
286S85Confident89.9Confident119 Ų11967.1 Ų67.183%0.83236%0.361SS*.SBendtrans-81.7-1.1-176.7-490000114.8
287S87.8Confident90.8Very high61 Ų6165.2 Ų65.243%0.42734%0.341SS..SBendtrans-82.1149.6-177.8-57.70000111.6W285W285-S287 VanDerWaalsContact C-N 3.29Å; W285-S287 PolarHBondContact O-N 3.42Å
288P86.5Confident91.4Very high111 Ų11163.1 Ų63.172%0.72133%0.328SS*.PPolyproline II helixtrans-63.1144.6178.126.1-34.3000112R290P288-R290 PolarHBondContact O-N 3.43Å
289C88Confident91.5Very high35 Ų3561.3 Ų61.324%0.23632%0.323CS..PPolyproline II helixtrans-61.6131.8173.2-175.90000110.3I291 K295 F298C289-I291 PolarHBondContact SG-N 2.86Å; C289-I291 VanDerWaalsContact SG-N 3.42Å; C289-I291 PolarHBondContact SG-O 3.32Å; C289-K295 HydrophobicContact CB-CB 4.41Å; C289-K295 HydrophobicContact CB-CG 4.36Å; C289-F298 VanDerWaalsContact SG-CD2 3.52Å
290R88.6Confident91.6Very high161 Ų16162.9 Ų62.961%0.60834%0.338SS*.SBendtrans-84.5-16.2179.5-57.9174.9-178.9-174.7-1.2113.9D249 P288 P292D249-R290 HydrophobicContact CB-CB 4.32Å; D249-R290 WeakPolarHBondContact O-CB 3.49Å; D249-R290 WeakPolarHBondContact O-CD 2.98Å; P288-R290 PolarHBondContact O-N 3.43Å; R290-P292 WeakPolarHBondContact O-CD 3.32Å
291I88.8Confident91.6Very high14 Ų1464.2 Ų64.27%0.07234%0.344CS..  trans-109.798.9179.6-50.8169.8000108A248 H251 V253 V256 C289 E293 L294 K295 F298A248-I291 VanDerWaalsContact O-CD1 3.29Å; A248-I291 WeakPolarHBondContact O-CD1 3.23Å; H251-I291 WeakPolarHBondContact O-CD1 3.46Å; V253-I291 HydrophobicContact CG2-CG2 3.96Å; V256-I291 HydrophobicContact CG2-CD1 4.3Å; C289-I291 PolarHBondContact SG-N 2.86Å; C289-I291 VanDerWaalsContact SG-N 3.42Å; C289-I291 PolarHBondContact SG-O 3.32Å; I291-E293 HydrophobicContact CG2-CB 4.36Å; I291-E293 VanDerWaalsContact CG2-OE2 3.26Å; I291-E293 WeakPolarHBondContact CG2-OE2 3.39Å; I291-E293 PolarHBondContact O-N 3.1Å; I291-L294 HydrophobicContact CB-CB 4.41Å; I291-L294 HydrophobicContact CD1-CD1 4.19Å; I291-L294 HydrophobicContact CG2-CB 4.06Å; I291-L294 HydrophobicContact CG2-CD1 4.27Å; I291-L294 HydrophobicContact CG2-CG 4.07Å; I291-L294 PolarHBondContact O-N 2.9Å; I291-K295 PolarHBondContact O-N 3.49Å; I291-F298 HydrophobicContact CD1-CE2 4.3Å; I291-F298 HydrophobicContact CD1-CZ 4.44Å
292P89.8Confident91.6Very high98 Ų9865 Ų6564%0.63635%0.347SS*.G310 helixtrans-56.9-36.9179.9-25.435.2000113.1R290 L294 K295R290-P292 WeakPolarHBondContact O-CD 3.32Å; P292-L294 VanDerWaalsContact C-N 3.3Å; P292-L294 PolarHBondContact O-N 2.95Å; P292-K295 VanDerWaalsContact O-CB 3.28Å; P292-K295 WeakPolarHBondContact O-CB 3.13Å; P292-K295 PolarHBondContact O-N 2.92Å
293E92.3Very high91.6Very high145 Ų14570.6 Ų70.668%0.67837%0.373SS*.G310 helixtrans-67.3-27.7-175.5-5883.7173.900113.3V253 I291V253-E293 HydrophobicContact CG2-CB 4.16Å; I291-E293 HydrophobicContact CG2-CB 4.36Å; I291-E293 VanDerWaalsContact CG2-OE2 3.26Å; I291-E293 WeakPolarHBondContact CG2-OE2 3.39Å; I291-E293 PolarHBondContact O-N 3.1Å
294L92.9Very high91.8Very high16 Ų1674.8 Ų74.88%0.08439%0.392CS..G310 helixtrans-104.74178.8-66.3179.6000112.8V253 V256 I291 P292 E296 L297 F298V253-L294 HydrophobicContact CB-CD1 4.43Å; V253-L294 HydrophobicContact CG1-CD1 4.3Å; V253-L294 HydrophobicContact CG1-CD2 4.22Å; V253-L294 HydrophobicContact CG1-CG 4.39Å; V253-L294 HydrophobicContact CG2-CD1 4.15Å; V253-L294 HydrophobicContact CG2-CG 4.07Å; V256-L294 HydrophobicContact CB-CD1 4.05Å; V256-L294 HydrophobicContact CG1-CD1 4Å; V256-L294 HydrophobicContact CG2-CD1 4.05Å; I291-L294 HydrophobicContact CB-CB 4.41Å; I291-L294 HydrophobicContact CD1-CD1 4.19Å; I291-L294 HydrophobicContact CG2-CB 4.06Å; I291-L294 HydrophobicContact CG2-CD1 4.27Å; I291-L294 HydrophobicContact CG2-CG 4.07Å; I291-L294 PolarHBondContact O-N 2.9Å; P292-L294 VanDerWaalsContact C-N 3.3Å; P292-L294 PolarHBondContact O-N 2.95Å; L294-E296 PolarHBondContact O-N 3.48Å; L294-L297 HydrophobicContact CD2-CD2 4.1Å; L294-L297 PolarHBondContact O-N 2.82Å; L294-F298 HydrophobicContact CB-CD1 4.38Å; L294-F298 HydrophobicContact CB-CD2 4.28Å; L294-F298 HydrophobicContact CB-CE1 3.93Å; L294-F298 HydrophobicContact CB-CE2 3.82Å; L294-F298 HydrophobicContact CB-CZ 3.63Å; L294-F298 HydrophobicContact CD1-CE1 4.14Å; L294-F298 HydrophobicContact CD1-CE2 4.5Å; L294-F298 HydrophobicContact CD1-CZ 3.69Å; L294-F298 HydrophobicContact CG-CZ 4.32Å; L294-F298 VanDerWaalsContact O-CG 3.29Å; L294-F298 WeakPolarHBondContact O-CG 3.4Å; L294-F298 PolarHBondContact O-N 3.28Å
295K92.8Very high91.9Very high96 Ų9674.7 Ų74.742%0.41739%0.392SS..Hα-helixtrans-57.5-48.7-177.5177.5172.7167.746.80111.8C289 I291 P292 L297 F298 D299C289-K295 HydrophobicContact CB-CB 4.41Å; C289-K295 HydrophobicContact CB-CG 4.36Å; I291-K295 PolarHBondContact O-N 3.49Å; P292-K295 VanDerWaalsContact O-CB 3.28Å; P292-K295 WeakPolarHBondContact O-CB 3.13Å; P292-K295 PolarHBondContact O-N 2.92Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 PolarHBondContact O-N 2.85Å; K295-F298 PolarHBondContact O-N 3.28Å; K295-D299 WeakPolarHBondContact CG-OD2 3.24Å; K295-D299 IonicContact NZ-OD1 3.9Å; K295-D299 IonicContact NZ-OD2 3.44Å; K295-D299 PolarHBondContact NZ-OD2 2.94Å; K295-D299 WeakPolarHBondContact O-CB 3.46Å; K295-D299 PolarHBondContact O-N 3.01Å
296E93.6Very high92.2Very high168 Ų16872.1 Ų72.179%0.78538%0.384SS*.Hα-helixtrans-61-41.8-179.8-66.4-176.1174.200111.8L294 A300L294-E296 PolarHBondContact O-N 3.48Å; E296-A300 VanDerWaalsContact O-CB 3.28Å; E296-A300 WeakPolarHBondContact O-CB 3.44Å; E296-A300 PolarHBondContact O-N 2.86Å
297L94.2Very high92.7Very high69 Ų6969.6 Ų69.636%0.36136%0.361SS..Hα-helixtrans-62.6-47.5176.2179.267.7000111.7L294 K295 A300 H301L294-L297 HydrophobicContact CD2-CD2 4.1Å; L294-L297 PolarHBondContact O-N 2.82Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 PolarHBondContact O-N 2.85Å; L297-A300 PolarHBondContact O-N 3.44Å; L297-H301 PolarHBondContact O-N 2.88Å
298F95.1Very high92.9Very high3 Ų368.4 Ų68.41%0.01335%0.349CS..Hα-helixtrans-67.2-40.4-179.1-64.1-14.9000111.9A248 D249 I281 C289 I291 L294 K295 H301 Q302A248-F298 HydrophobicContact CB-CE1 3.82Å; A248-F298 HydrophobicContact CB-CE2 4.3Å; A248-F298 HydrophobicContact CB-CZ 3.57Å; D249-F298 HydrophobicContact CB-CE2 4.17Å; I281-F298 HydrophobicContact CG2-CD1 4.48Å; I281-F298 HydrophobicContact CG2-CE1 3.92Å; I281-F298 WeakPolarHBondContact O-CD1 3.17Å; C289-F298 VanDerWaalsContact SG-CD2 3.52Å; I291-F298 HydrophobicContact CD1-CE2 4.3Å; I291-F298 HydrophobicContact CD1-CZ 4.44Å; L294-F298 HydrophobicContact CB-CD1 4.38Å; L294-F298 HydrophobicContact CB-CD2 4.28Å; L294-F298 HydrophobicContact CB-CE1 3.93Å; L294-F298 HydrophobicContact CB-CE2 3.82Å; L294-F298 HydrophobicContact CB-CZ 3.63Å; L294-F298 HydrophobicContact CD1-CE1 4.14Å; L294-F298 HydrophobicContact CD1-CE2 4.5Å; L294-F298 HydrophobicContact CD1-CZ 3.69Å; L294-F298 HydrophobicContact CG-CZ 4.32Å; L294-F298 VanDerWaalsContact O-CG 3.29Å; L294-F298 WeakPolarHBondContact O-CG 3.4Å; L294-F298 PolarHBondContact O-N 3.28Å; K295-F298 PolarHBondContact O-N 3.28Å; F298-H301 PolarHBondContact O-N 2.8Å; F298-Q302 WeakPolarHBondContact O-CB 3.47Å; F298-Q302 VanDerWaalsContact O-CG 3.24Å; F298-Q302 WeakPolarHBondContact O-CG 3.39Å; F298-Q302 PolarHBondContact O-N 3.29Å
299D94.1Very high93.2Very high62 Ų6263.2 Ų63.233%0.33232%0.315SS..Hα-helixtrans-64.8-42.7177.2-70.6-12.6000110.3K295 Q302 E303K295-D299 WeakPolarHBondContact CG-OD2 3.24Å; K295-D299 IonicContact NZ-OD1 3.9Å; K295-D299 IonicContact NZ-OD2 3.44Å; K295-D299 PolarHBondContact NZ-OD2 2.94Å; K295-D299 WeakPolarHBondContact O-CB 3.46Å; K295-D299 PolarHBondContact O-N 3.01Å; D299-Q302 PolarHBondContact O-N 3.4Å; D299-E303 WeakPolarHBondContact O-CB 3.24Å; D299-E303 PolarHBondContact O-N 2.87Å
300A95.9Very high93.3Very high51 Ų5167.9 Ų67.942%0.42133%0.328SS..Hα-helixtrans-60.7-46.8175.500000112.3E296 L297 Q302 E303 E304E296-A300 VanDerWaalsContact O-CB 3.28Å; E296-A300 WeakPolarHBondContact O-CB 3.44Å; E296-A300 PolarHBondContact O-N 2.86Å; L297-A300 PolarHBondContact O-N 3.44Å; A300-Q302 PolarHBondContact O-N 2.85Å; A300-E303 PolarHBondContact O-N 3.2Å; A300-E304 WeakPolarHBondContact O-CB 3.24Å; A300-E304 PolarHBondContact O-N 2.83Å
301H96.3Very high93.4Very high34 Ų3462.8 Ų62.816%0.15732%0.315CS..Hα-helixtrans-65.2-36.1176.5-75.2170.2000113.1F280 I281 L297 F298 L305F280-H301 HydrophobicContact CB-CB 4.25Å; F280-H301 HydrophobicContact CD1-CB 4Å; I281-H301 PolarHBondContact N-ND1 3.23Å; I281-H301 WeakPolarHBondContact O-CB 3.45Å; I281-H301 PolarHBondContact O-ND1 2.67Å; L297-H301 PolarHBondContact O-N 2.88Å; F298-H301 PolarHBondContact O-N 2.8Å; H301-L305 WeakPolarHBondContact O-CB 3.42Å; H301-L305 PolarHBondContact O-N 3.46Å
302Q94.9Very high93.4Very high26 Ų2662.3 Ų62.312%0.12131%0.312CS..Hα-helixtrans-63.9-47173.7-76.3175.936.500111.2Y107 S283 F284 F298 D299 A300 E304 L305 L306Y107-Q302 PolarHBondContact OH-OE1 2.91Å; S283-Q302 PolarHBondContact O-NE2 3.05Å; S283-Q302 VanDerWaalsContact O-NE2 3.14Å; F284-Q302 HydrophobicContact CD1-CG 3.89Å; F284-Q302 HydrophobicContact CE1-CB 4.37Å; F284-Q302 HydrophobicContact CE1-CG 3.76Å; F284-Q302 HydrophobicContact CZ-CG 4.25Å; F298-Q302 WeakPolarHBondContact O-CB 3.47Å; F298-Q302 VanDerWaalsContact O-CG 3.24Å; F298-Q302 WeakPolarHBondContact O-CG 3.39Å; F298-Q302 PolarHBondContact O-N 3.29Å; D299-Q302 PolarHBondContact O-N 3.4Å; A300-Q302 PolarHBondContact O-N 2.85Å; Q302-E304 VanDerWaalsContact C-N 3.34Å; Q302-E304 PolarHBondContact O-N 3.44Å; Q302-L305 PolarHBondContact O-N 3.01Å; Q302-L306 VanDerWaalsContact O-CG 3.3Å; Q302-L306 WeakPolarHBondContact O-CG 3.24Å; Q302-L306 PolarHBondContact O-N 2.8Å
303E94.7Very high93.1Very high117 Ų11760.3 Ų60.355%0.54730%0.298SS..Hα-helixtrans-61.8-43.8178-170.9-177.4172.400111.3D299 A300 L305 L306 N307D299-E303 WeakPolarHBondContact O-CB 3.24Å; D299-E303 PolarHBondContact O-N 2.87Å; A300-E303 PolarHBondContact O-N 3.2Å; E303-L305 PolarHBondContact O-N 2.86Å; E303-L306 PolarHBondContact O-N 2.84Å; E303-N307 WeakPolarHBondContact O-CB 3.49Å; E303-N307 VanDerWaalsContact O-CG 3.25Å; E303-N307 PolarHBondContact O-N 3.08Å; E303-N307 PolarHBondContact O-ND2 3.45Å
304E96Very high92.5Very high96 Ų9659.6 Ų59.645%0.44929%0.289SS..Hα-helixtrans-62.4-44.6178.1-166.5179.216300111.8F280 A300 Q302 L306 N307 Q308F280-E304 HydrophobicContact CE1-CB 3.77Å; F280-E304 VanDerWaalsContact CE1-CD 3.5Å; F280-E304 HydrophobicContact CE1-CG 3.76Å; F280-E304 HydrophobicContact CZ-CB 4.1Å; F280-E304 HydrophobicContact CZ-CG 3.81Å; A300-E304 WeakPolarHBondContact O-CB 3.24Å; A300-E304 PolarHBondContact O-N 2.83Å; Q302-E304 VanDerWaalsContact C-N 3.34Å; Q302-E304 PolarHBondContact O-N 3.44Å; E304-L306 VanDerWaalsContact C-N 3.35Å; E304-L306 PolarHBondContact O-N 2.57Å; E304-N307 PolarHBondContact O-N 3.35Å; E304-Q308 WeakPolarHBondContact O-CG 3.47Å; E304-Q308 PolarHBondContact O-N 2.91Å
305L95.6Very high92Very high0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-58.5-46.8174.5177.764.2000111.4L104 M211 I213 T242 V244 F280 F284 H301 Q302 E303 N307 Q308 I309L104-L305 HydrophobicContact CD1-CD2 4.16Å; M211-L305 HydrophobicContact CE-CD1 3.76Å; I213-L305 HydrophobicContact CD1-CD1 4.14Å; T242-L305 HydrophobicContact CG2-CD1 4.34Å; V244-L305 HydrophobicContact CG2-CD2 4.15Å; F280-L305 HydrophobicContact CD2-CB 3.97Å; F280-L305 HydrophobicContact CD2-CD1 3.94Å; F280-L305 HydrophobicContact CD2-CG 4.45Å; F280-L305 HydrophobicContact CE2-CB 4.01Å; F280-L305 HydrophobicContact CE2-CD1 3.93Å; F280-L305 HydrophobicContact CG-CB 4.5Å; F284-L305 HydrophobicContact CD1-CD2 3.66Å; F284-L305 HydrophobicContact CE1-CB 4.18Å; F284-L305 HydrophobicContact CE1-CD2 3.4Å; F284-L305 HydrophobicContact CE1-CG 4.42Å; F284-L305 HydrophobicContact CZ-CD2 4.33Å; H301-L305 WeakPolarHBondContact O-CB 3.42Å; H301-L305 PolarHBondContact O-N 3.46Å; Q302-L305 PolarHBondContact O-N 3.01Å; E303-L305 PolarHBondContact O-N 2.86Å; L305-N307 VanDerWaalsContact C-N 3.32Å; L305-N307 PolarHBondContact O-N 2.77Å; L305-Q308 PolarHBondContact O-N 2.97Å; L305-I309 HydrophobicContact CD1-CD1 4.4Å; L305-I309 HydrophobicContact CG-CD1 4.23Å; L305-I309 WeakPolarHBondContact O-CG1 3.18Å; L305-I309 PolarHBondContact O-N 3.5Å
306L94.1Very high91.5Very high33 Ų3356.6 Ų56.617%0.17328%0.28CS..Hα-helixtrans-64.9-36.7178.6-67.8174000111.8Y107 I108 Q302 E303 E304 I309 R310Y107-L306 HydrophobicContact CE1-CD1 4.22Å; Y107-L306 HydrophobicContact CE1-CD2 4.18Å; Y107-L306 HydrophobicContact CE1-CG 4.39Å; I108-L306 HydrophobicContact CG2-CD2 4.23Å; Q302-L306 VanDerWaalsContact O-CG 3.3Å; Q302-L306 WeakPolarHBondContact O-CG 3.24Å; Q302-L306 PolarHBondContact O-N 2.8Å; E303-L306 PolarHBondContact O-N 2.84Å; E304-L306 VanDerWaalsContact C-N 3.35Å; E304-L306 PolarHBondContact O-N 2.57Å; L306-I309 PolarHBondContact O-N 3.35Å; L306-R310 VanDerWaalsContact O-CG 3.26Å; L306-R310 WeakPolarHBondContact O-CG 3.35Å; L306-R310 PolarHBondContact O-N 3.33Å
307N93.9Very high90.8Very high65 Ų6548.7 Ų48.735%0.34824%0.243SC..Hα-helixtrans-66.9-39.6174.8-75.4-18.2000111.6E303 E304 L305 I309 R310 T311E303-N307 WeakPolarHBondContact O-CB 3.49Å; E303-N307 VanDerWaalsContact O-CG 3.25Å; E303-N307 PolarHBondContact O-N 3.08Å; E303-N307 PolarHBondContact O-ND2 3.45Å; E304-N307 PolarHBondContact O-N 3.35Å; L305-N307 VanDerWaalsContact C-N 3.32Å; L305-N307 PolarHBondContact O-N 2.77Å; N307-I309 VanDerWaalsContact C-N 3.31Å; N307-I309 PolarHBondContact O-N 2.74Å; N307-R310 PolarHBondContact O-N 3.38Å; N307-R310 PolarHBondContact OD1-NH1 3.29Å; N307-T311 WeakPolarHBondContact O-CB 3.38Å; N307-T311 VanDerWaalsContact O-CG2 3.29Å; N307-T311 WeakPolarHBondContact O-CG2 3.34Å; N307-T311 PolarHBondContact O-N 2.94Å; N307-T311 PolarHBondContact O-OG1 2.93Å
308Q93.2Very high90.2Very high37 Ų3748.1 Ų48.117%0.17325%0.245CC..Hα-helixtrans-60.5-41.3171.8-72.1-170.313.500111.5M211 E304 L305 T311 L312M211-Q308 HydrophobicContact CE-CB 4.46Å; E304-Q308 WeakPolarHBondContact O-CG 3.47Å; E304-Q308 PolarHBondContact O-N 2.91Å; L305-Q308 PolarHBondContact O-N 2.97Å; Q308-T311 PolarHBondContact O-N 3.47Å; Q308-T311 PolarHBondContact O-OG1 3.45Å; Q308-L312 WeakPolarHBondContact O-CG 3.36Å; Q308-L312 PolarHBondContact O-N 3.14Å
309I93.4Very high89.5Confident2 Ų250.5 Ų50.51%0.0125%0.254CS..Hα-helixtrans-65.4-47.6176.7-68.2169.3000111.5I91 I108 Y179 M211 I213 L305 L306 N307 T311 L312I91-I309 HydrophobicContact CD1-CB 4.4Å; I91-I309 HydrophobicContact CD1-CD1 4.28Å; I91-I309 HydrophobicContact CD1-CG1 3.95Å; I91-I309 HydrophobicContact CD1-CG2 3.74Å; I108-I309 HydrophobicContact CB-CD1 4.01Å; I108-I309 HydrophobicContact CD1-CD1 4.19Å; I108-I309 HydrophobicContact CG2-CD1 3.74Å; Y179-I309 HydrophobicContact CD1-CG2 4.03Å; Y179-I309 HydrophobicContact CD2-CG2 4.44Å; Y179-I309 HydrophobicContact CE1-CG2 3.71Å; Y179-I309 HydrophobicContact CE2-CG2 4.12Å; Y179-I309 HydrophobicContact CG-CG2 4.4Å; M211-I309 HydrophobicContact SD-CG1 4.11Å; I213-I309 HydrophobicContact CD1-CD1 4.31Å; L305-I309 HydrophobicContact CD1-CD1 4.4Å; L305-I309 HydrophobicContact CG-CD1 4.23Å; L305-I309 WeakPolarHBondContact O-CG1 3.18Å; L305-I309 PolarHBondContact O-N 3.5Å; L306-I309 PolarHBondContact O-N 3.35Å; N307-I309 VanDerWaalsContact C-N 3.31Å; N307-I309 PolarHBondContact O-N 2.74Å; I309-T311 VanDerWaalsContact C-N 3.26Å; I309-T311 PolarHBondContact O-N 3.26Å; I309-L312 HydrophobicContact CG2-CD1 4.46Å; I309-L312 VanDerWaalsContact O-CB 3.26Å; I309-L312 WeakPolarHBondContact O-CB 3.37Å; I309-L312 VanDerWaalsContact O-CG 3.25Å; I309-L312 WeakPolarHBondContact O-CG 3.28Å; I309-L312 PolarHBondContact O-N 2.9Å; I309-L312 VanDerWaalsContact O-N 3.12Å
310R90.2Very high89Confident132 Ų13247.9 Ų47.950%0.49824%0.239SC..Hα-helixtrans-61-36.1179.1-71.5171-168124.52.1112.4L306 N307 L312L306-R310 VanDerWaalsContact O-CG 3.26Å; L306-R310 WeakPolarHBondContact O-CG 3.35Å; L306-R310 PolarHBondContact O-N 3.33Å; N307-R310 PolarHBondContact O-N 3.38Å; N307-R310 PolarHBondContact OD1-NH1 3.29Å; R310-L312 VanDerWaalsContact C-N 3.29Å; R310-L312 PolarHBondContact O-N 3.49Å
311T89.4Confident88.5Confident55 Ų5546.1 Ų46.134%0.33722%0.223SC..Hα-helixtrans-79.6-8.618056.10000113.3N307 Q308 I309 V313 R314 T315N307-T311 WeakPolarHBondContact O-CB 3.38Å; N307-T311 VanDerWaalsContact O-CG2 3.29Å; N307-T311 WeakPolarHBondContact O-CG2 3.34Å; N307-T311 PolarHBondContact O-N 2.94Å; N307-T311 PolarHBondContact O-OG1 2.93Å; Q308-T311 PolarHBondContact O-N 3.47Å; Q308-T311 PolarHBondContact O-OG1 3.45Å; I309-T311 VanDerWaalsContact C-N 3.26Å; I309-T311 PolarHBondContact O-N 3.26Å; T311-V313 VanDerWaalsContact C-N 3.27Å; T311-V313 PolarHBondContact O-N 3.26Å; T311-R314 PolarHBondContact O-N 3.02Å; T311-T315 PolarHBondContact O-N 3.03Å; T311-T315 PolarHBondContact O-OG1 2.89Å
312L88.8Confident87.9Confident3 Ų347.8 Ų47.82%0.01623%0.229CC..Hα-helixtrans-52.4-44.7-179.3-72177.2000112.4P89 I91 M211 Q308 I309 R310 R314 T315 C316 R319P89-L312 HydrophobicContact CB-CB 3.97Å; P89-L312 HydrophobicContact CB-CD1 4.49Å; P89-L312 HydrophobicContact CG-CB 4.3Å; I91-L312 HydrophobicContact CD1-CD1 3.65Å; I91-L312 HydrophobicContact CG1-CD1 3.54Å; M211-L312 HydrophobicContact CB-CD1 4.37Å; M211-L312 HydrophobicContact CB-CD2 4.09Å; M211-L312 HydrophobicContact SD-CD1 4.37Å; M211-L312 HydrophobicContact SD-CD2 4.32Å; Q308-L312 WeakPolarHBondContact O-CG 3.36Å; Q308-L312 PolarHBondContact O-N 3.14Å; I309-L312 HydrophobicContact CG2-CD1 4.46Å; I309-L312 VanDerWaalsContact O-CB 3.26Å; I309-L312 WeakPolarHBondContact O-CB 3.37Å; I309-L312 VanDerWaalsContact O-CG 3.25Å; I309-L312 WeakPolarHBondContact O-CG 3.28Å; I309-L312 PolarHBondContact O-N 2.9Å; I309-L312 VanDerWaalsContact O-N 3.12Å; R310-L312 VanDerWaalsContact C-N 3.29Å; R310-L312 PolarHBondContact O-N 3.49Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 3.47Å; L312-T315 CarbonylContact O-C 3.6Å; L312-T315 PolarHBondContact O-N 3.08Å; L312-T315 PolarHBondContact O-OG1 2.54Å; L312-C316 PolarHBondContact O-N 3.31Å; L312-R319 PolarHBondContact O-NH1 3.37Å
313V83.5Confident87.3Confident56 Ų5647.1 Ų47.134%0.33923%0.226SC..Hα-helixtrans-61.5-41.5-179.9-177.30000111.5P89 Q178 T311P89-V313 HydrophobicContact CG-CG2 4.16Å; Q178-V313 HydrophobicContact CB-CG2 3.98Å; Q178-V313 WeakPolarHBondContact O-CG2 3.25Å; T311-V313 VanDerWaalsContact C-N 3.27Å; T311-V313 PolarHBondContact O-N 3.26Å
314R81Confident87Confident131 Ų13141.6 Ų41.649%0.49420%0.201SC..Hα-helixtrans-70-35.5-179.7-61.4-174.8179.8-178.7-2.3112.1V40 T311 L312V40-R314 HydrophobicContact CG2-CG 4.15Å; T311-R314 PolarHBondContact O-N 3.02Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 3.47Å
315T82.5Confident86.4Confident46 Ų4637.9 Ų37.928%0.28218%0.183SC..Hα-helixtrans-96.72.8-173.444.90000113.3T311 L312 A317 S318 R319T311-T315 PolarHBondContact O-N 3.03Å; T311-T315 PolarHBondContact O-OG1 2.89Å; L312-T315 CarbonylContact O-C 3.6Å; L312-T315 PolarHBondContact O-N 3.08Å; L312-T315 PolarHBondContact O-OG1 2.54Å; T315-A317 VanDerWaalsContact C-N 3.34Å; T315-A317 PolarHBondContact O-N 3.09Å; T315-S318 PolarHBondContact O-N 3.1Å; T315-R319 PolarHBondContact O-N 2.76Å; T315-R319 PolarHBondContact OG1-NH1 2.78Å; T315-R319 PolarHBondContact OG1-NH2 3.25Å
316C80.5Confident85.9Confident2 Ų238.9 Ų38.91%0.01419%0.19CC..Hα-helixtrans-58.8-43.1-178.4-174.20000111.8Y48 P89 L312 S318 R319 R320Y48-C316 HydrophobicContact CE2-CB 4.24Å; Y48-C316 WeakPolarHBondContact OH-CB 3.29Å; Y48-C316 PolarHBondContact OH-SG 3.3Å; P89-C316 HydrophobicContact CG-CB 4.42Å; L312-C316 PolarHBondContact O-N 3.31Å; C316-S318 PolarHBondContact O-N 3.09Å; C316-R319 PolarHBondContact O-N 3.11Å; C316-R320 WeakPolarHBondContact O-CG 3.48Å; C316-R320 PolarHBondContact O-N 3.17Å
317A79.2Confident85.5Confident2 Ų237.7 Ų37.72%0.01718%0.183CC..Hα-helixtrans-60-44.8178.400000113F38 Y48 I51 I52 T315 R320 L321F38-A317 HydrophobicContact CD1-CB 4.32Å; F38-A317 HydrophobicContact CE1-CB 3.49Å; F38-A317 VanDerWaalsContact CE1-CB 3.49Å; F38-A317 HydrophobicContact CZ-CB 3.8Å; Y48-A317 HydrophobicContact CE2-CB 4.48Å; I51-A317 HydrophobicContact CG2-CB 3.97Å; I52-A317 HydrophobicContact CD1-CB 4.06Å; T315-A317 VanDerWaalsContact C-N 3.34Å; T315-A317 PolarHBondContact O-N 3.09Å; A317-R320 PolarHBondContact O-N 3Å; A317-L321 WeakPolarHBondContact O-CB 3.42Å; A317-L321 PolarHBondContact O-N 2.94Å
318S81.5Confident85.2Confident58 Ų5834.8 Ų34.841%0.40617%0.168SC..Hα-helixtrans-63.6-39.7175.8179.20000111.9T315 C316 L321 K322T315-S318 PolarHBondContact O-N 3.1Å; C316-S318 PolarHBondContact O-N 3.09Å; S318-L321 WeakPolarHBondContact O-CB 3.34Å; S318-L321 PolarHBondContact O-N 3.46Å; S318-K322 PolarHBondContact O-N 3.02Å
319R80.6Confident84.8Confident53 Ų5334.9 Ų34.920%0.217%0.171CC..Hα-helixtrans-64.8-45.2174-69.2-168.3-165.778.415.1112.3D210 L312 T315 C316 L321 K322 E323D210-R319 WeakPolarHBondContact O-CD 3.29Å; L312-R319 PolarHBondContact O-NH1 3.37Å; T315-R319 PolarHBondContact O-N 2.76Å; T315-R319 PolarHBondContact OG1-NH1 2.78Å; T315-R319 PolarHBondContact OG1-NH2 3.25Å; C316-R319 PolarHBondContact O-N 3.11Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.45Å; R319-K322 CarbonylContact O-C 3.59Å; R319-K322 WeakPolarHBondContact O-CA 3.39Å; R319-K322 WeakPolarHBondContact O-CB 3.29Å; R319-K322 PolarHBondContact O-N 3.42Å; R319-E323 WeakPolarHBondContact O-CG 3.28Å; R319-E323 PolarHBondContact O-N 3.35Å
320R83.5Confident84.4Confident7 Ų736.1 Ų36.13%0.02618%0.175CC..Hα-helixtrans-59.7-41.8176.2-68.2-56.8-179-161.3-4.4111.2I52 L55 D84 D210 C316 A317 K322 E323 L324I52-R320 HydrophobicContact CD1-CB 4.5Å; I52-R320 HydrophobicContact CD1-CG 4.14Å; L55-R320 HydrophobicContact CD1-CB 3.93Å; D84-R320 PolarHBondContact O-NH2 3.06Å; D84-R320 VanDerWaalsContact O-NH2 3.15Å; D210-R320 IonicContact OD1-NH2 2.81Å; D210-R320 IonicContact OD2-NH2 2.89Å; C316-R320 WeakPolarHBondContact O-CG 3.48Å; C316-R320 PolarHBondContact O-N 3.17Å; A317-R320 PolarHBondContact O-N 3Å; R320-K322 VanDerWaalsContact C-N 3.34Å; R320-K322 PolarHBondContact O-N 3.34Å; R320-E323 VanDerWaalsContact CD-OE2 3.29Å; R320-E323 WeakPolarHBondContact CD-OE2 3.49Å; R320-E323 IonicContact CZ-OE2 3.43Å; R320-E323 IonicContact NE-OE2 3.77Å; R320-E323 IonicContact NH1-OE1 3.69Å; R320-E323 IonicContact NH1-OE2 3.69Å; R320-E323 PolarHBondContact NH1-OE2 2.75Å; R320-E323 PolarHBondContact O-N 2.84Å; R320-L324 WeakPolarHBondContact O-CG 3.46Å; R320-L324 PolarHBondContact O-N 3.45Å
321L85.3Confident84.2Confident13 Ų1330 Ų307%0.06815%0.153CC..Hα-helixtrans-58-46172.1-179.666000111.5F26 R30 L33 L55 A317 S318 R319 E323 L324 E325F26-L321 HydrophobicContact CD1-CD1 3.59Å; F26-L321 HydrophobicContact CE1-CD1 3.98Å; R30-L321 HydrophobicContact CB-CD2 4.37Å; L33-L321 HydrophobicContact CD1-CD2 3.71Å; L55-L321 HydrophobicContact CD2-CB 4.39Å; L55-L321 HydrophobicContact CD2-CD1 3.83Å; A317-L321 WeakPolarHBondContact O-CB 3.42Å; A317-L321 PolarHBondContact O-N 2.94Å; S318-L321 WeakPolarHBondContact O-CB 3.34Å; S318-L321 PolarHBondContact O-N 3.46Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.45Å; L321-E323 VanDerWaalsContact C-N 3.33Å; L321-E323 PolarHBondContact O-N 3.11Å; L321-L324 PolarHBondContact O-N 3Å; L321-E325 PolarHBondContact O-N 3.33Å
322K84.1Confident83.9Confident69 Ų6927.7 Ų27.730%0.314%0.139SC..Hα-helixtrans-64-36177.7-171.260.9179178.50113.2S318 R319 R320 E325 T326S318-K322 PolarHBondContact O-N 3.02Å; R319-K322 CarbonylContact O-C 3.59Å; R319-K322 WeakPolarHBondContact O-CA 3.39Å; R319-K322 WeakPolarHBondContact O-CB 3.29Å; R319-K322 PolarHBondContact O-N 3.42Å; R320-K322 VanDerWaalsContact C-N 3.34Å; R320-K322 PolarHBondContact O-N 3.34Å; K322-E325 VanDerWaalsContact CD-OE2 3.23Å; K322-E325 WeakPolarHBondContact CD-OE2 3.15Å; K322-E325 IonicContact NZ-OE1 2.77Å; K322-E325 PolarHBondContact NZ-OE1 2.94Å; K322-E325 IonicContact NZ-OE2 3.86Å; K322-E325 PolarHBondContact NZ-OE2 3.46Å; K322-E325 PolarHBondContact O-N 3.01Å; K322-T326 WeakPolarHBondContact O-CB 3.2Å; K322-T326 PolarHBondContact O-N 3.39Å; K322-T326 PolarHBondContact O-OG1 3.17Å
323E83.4Confident83.7Confident12 Ų1233.4 Ų33.46%0.05616%0.164CC..Hα-helixtrans-64.5-43.1173.9-73177.8166.800111.3K240 R319 R320 L321 T326 R327K240-E323 IonicContact NZ-OE1 2.72Å; K240-E323 PolarHBondContact NZ-OE1 3.42Å; R319-E323 WeakPolarHBondContact O-CG 3.28Å; R319-E323 PolarHBondContact O-N 3.35Å; R320-E323 VanDerWaalsContact CD-OE2 3.29Å; R320-E323 WeakPolarHBondContact CD-OE2 3.49Å; R320-E323 IonicContact CZ-OE2 3.43Å; R320-E323 IonicContact NE-OE2 3.77Å; R320-E323 IonicContact NH1-OE1 3.69Å; R320-E323 IonicContact NH1-OE2 3.69Å; R320-E323 PolarHBondContact NH1-OE2 2.75Å; R320-E323 PolarHBondContact O-N 2.84Å; L321-E323 VanDerWaalsContact C-N 3.33Å; L321-E323 PolarHBondContact O-N 3.11Å; E323-T326 WeakPolarHBondContact O-CB 3.49Å; E323-T326 PolarHBondContact O-N 3.25Å; E323-R327 WeakPolarHBondContact O-CG 3.48Å; E323-R327 PolarHBondContact O-N 2.7Å
324L86.4Confident83.8Confident1 Ų131.8 Ų31.81%0.00515%0.154CC..Hα-helixtrans-64.9-41.2174.8-65.3-175.8000112F26 L55 Y59 I63 L80 F85 R320 L321 T326 R327 A328F26-L324 HydrophobicContact CD1-CB 4.46Å; F26-L324 HydrophobicContact CE1-CB 3.63Å; F26-L324 HydrophobicContact CE1-CD1 3.94Å; F26-L324 HydrophobicContact CE1-CG 4.45Å; F26-L324 HydrophobicContact CE2-CB 4.41Å; F26-L324 HydrophobicContact CZ-CB 3.57Å; F26-L324 HydrophobicContact CZ-CD1 4.01Å; F26-L324 HydrophobicContact CZ-CG 4.39Å; L55-L324 HydrophobicContact CB-CD1 3.94Å; L55-L324 HydrophobicContact CD2-CD1 4.14Å; Y59-L324 HydrophobicContact CD2-CD2 3.62Å; Y59-L324 HydrophobicContact CG-CD2 3.96Å; I63-L324 HydrophobicContact CD1-CB 4.04Å; I63-L324 HydrophobicContact CD1-CD2 4.05Å; L80-L324 HydrophobicContact CD1-CD2 4.3Å; F85-L324 HydrophobicContact CZ-CD2 4.3Å; R320-L324 WeakPolarHBondContact O-CG 3.46Å; R320-L324 PolarHBondContact O-N 3.45Å; L321-L324 PolarHBondContact O-N 3Å; L324-T326 VanDerWaalsContact C-N 3.29Å; L324-T326 PolarHBondContact O-N 3.28Å; L324-R327 PolarHBondContact O-N 2.93Å; L324-A328 WeakPolarHBondContact O-CB 3.48Å; L324-A328 PolarHBondContact O-N 3.49Å
325E85.1Confident83.7Confident19 Ų1926.2 Ų26.29%0.08913%0.133CC..Hα-helixtrans-58.4-43.1172.5-171.5-166.3165.800111R30 L321 K322 A328 T329R30-E325 IonicContact CZ-OE1 2.91Å; R30-E325 IonicContact CZ-OE2 3.86Å; R30-E325 IonicContact NH1-OE1 2.7Å; R30-E325 PolarHBondContact NH1-OE1 3.02Å; R30-E325 IonicContact NH1-OE2 3.48Å; R30-E325 PolarHBondContact NH1-OE2 3.44Å; L321-E325 PolarHBondContact O-N 3.33Å; K322-E325 VanDerWaalsContact CD-OE2 3.23Å; K322-E325 WeakPolarHBondContact CD-OE2 3.15Å; K322-E325 IonicContact NZ-OE1 2.77Å; K322-E325 PolarHBondContact NZ-OE1 2.94Å; K322-E325 IonicContact NZ-OE2 3.86Å; K322-E325 PolarHBondContact NZ-OE2 3.46Å; K322-E325 PolarHBondContact O-N 3.01Å; E325-A328 PolarHBondContact O-N 3.3Å; E325-T329 WeakPolarHBondContact O-CB 3.48Å; E325-T329 PolarHBondContact O-N 2.86Å; E325-T329 PolarHBondContact O-OG1 3.45Å
326T83.9Confident83.7Confident21 Ų2127.7 Ų27.713%0.12914%0.137CC..Hα-helixtrans-65.1-42.1178.5-55.90000111K322 E323 L324 T329 R330K322-T326 WeakPolarHBondContact O-CB 3.2Å; K322-T326 PolarHBondContact O-N 3.39Å; K322-T326 PolarHBondContact O-OG1 3.17Å; E323-T326 WeakPolarHBondContact O-CB 3.49Å; E323-T326 PolarHBondContact O-N 3.25Å; L324-T326 VanDerWaalsContact C-N 3.29Å; L324-T326 PolarHBondContact O-N 3.28Å; T326-T329 PolarHBondContact O-N 3.42Å; T326-R330 WeakPolarHBondContact O-CG 3.49Å; T326-R330 PolarHBondContact O-N 2.97Å
327R86.9Confident83.8Confident7 Ų733.4 Ų33.43%0.02617%0.167CC..Hα-helixtrans-66.1-45.7176.1-75.8176.8166-97.90.7112.1I63 E67 R78 D207 E323 L324 T329 R330 V331I63-R327 HydrophobicContact CG2-CB 4.32Å; E67-R327 IonicContact OE1-CZ 3.41Å; E67-R327 IonicContact OE1-NH1 2.68Å; E67-R327 PolarHBondContact OE1-NH1 3.38Å; E67-R327 IonicContact OE2-NH1 3.87Å; E67-R327 PolarHBondContact OE2-NH1 3.13Å; R78-R327 PolarHBondContact O-NH2 3.08Å; R78-R327 VanDerWaalsContact O-NH2 3.09Å; D207-R327 IonicContact OD2-CZ 3.97Å; D207-R327 IonicContact OD2-NE 2.75Å; D207-R327 IonicContact OD2-NH2 3.65Å; D207-R327 PolarHBondContact OD2-NH2 3.28Å; E323-R327 WeakPolarHBondContact O-CG 3.48Å; E323-R327 PolarHBondContact O-N 2.7Å; L324-R327 PolarHBondContact O-N 2.93Å; R327-T329 VanDerWaalsContact C-N 3.3Å; R327-T329 PolarHBondContact O-N 3.06Å; R327-R330 WeakPolarHBondContact O-CB 3.36Å; R327-R330 PolarHBondContact O-N 3.4Å; R327-R330 VanDerWaalsContact O-N 3.14Å; R327-V331 WeakPolarHBondContact O-CG2 3.28Å; R327-V331 PolarHBondContact O-N 3.05Å
328A86.1Confident83.8Confident4 Ų437 Ų373%0.03319%0.185CC..Hα-helixtrans-57.2-44.5173.400000111.2L23 F26 I63 L324 E325 R330 V331 C332L23-A328 HydrophobicContact CD1-CB 4.39Å; F26-A328 HydrophobicContact CD2-CB 4.11Å; F26-A328 HydrophobicContact CE2-CB 4.23Å; I63-A328 HydrophobicContact CD1-CB 4.32Å; I63-A328 HydrophobicContact CG1-CB 4.41Å; L324-A328 WeakPolarHBondContact O-CB 3.48Å; L324-A328 PolarHBondContact O-N 3.49Å; E325-A328 PolarHBondContact O-N 3.3Å; A328-R330 VanDerWaalsContact C-N 3.33Å; A328-R330 PolarHBondContact O-N 3.07Å; A328-V331 WeakPolarHBondContact O-CB 3.34Å; A328-V331 PolarHBondContact O-N 2.94Å; A328-C332 PolarHBondContact O-N 3.21Å; A328-C332 PolarHBondContact O-SG 3.44Å
329T85.5Confident83.6Confident40 Ų4037.7 Ų37.725%0.24519%0.187CC..Hα-helixtrans-60.4-40.3176.4-58.10000112.3E325 T326 R327 C332 K333E325-T329 WeakPolarHBondContact O-CB 3.48Å; E325-T329 PolarHBondContact O-N 2.86Å; E325-T329 PolarHBondContact O-OG1 3.45Å; T326-T329 PolarHBondContact O-N 3.42Å; R327-T329 VanDerWaalsContact C-N 3.3Å; R327-T329 PolarHBondContact O-N 3.06Å; T329-C332 PolarHBondContact O-N 3.49Å; T329-K333 HydrophobicContact CG2-CD 4.19Å; T329-K333 HydrophobicContact CG2-CG 4.42Å; T329-K333 WeakPolarHBondContact O-CB 3.47Å; T329-K333 WeakPolarHBondContact O-CG 3.49Å; T329-K333 PolarHBondContact O-N 2.93Å
330R85Confident83.4Confident27 Ų2743 Ų4310%0.10222%0.216CC..Hα-helixtrans-64-42.2176.1-70.1167.3-168.71694.9111.8Y76 D207 Y237 T326 R327 A328 K333 T334Y76-R330 HydrophobicContact CE1-CB 4.41Å; Y76-R330 HydrophobicContact CE1-CG 4.09Å; D207-R330 IonicContact OD1-CZ 3.91Å; D207-R330 IonicContact OD1-NH1 3.23Å; D207-R330 PolarHBondContact OD1-NH1 3.46Å; D207-R330 IonicContact OD1-NH2 3.48Å; Y237-R330 PolarHBondContact OH-NH1 3.5Å; Y237-R330 VanDerWaalsContact OH-NH1 3.14Å; Y237-R330 PolarHBondContact OH-NH2 2.77Å; T326-R330 WeakPolarHBondContact O-CG 3.49Å; T326-R330 PolarHBondContact O-N 2.97Å; R327-R330 WeakPolarHBondContact O-CB 3.36Å; R327-R330 PolarHBondContact O-N 3.4Å; R327-R330 VanDerWaalsContact O-N 3.14Å; A328-R330 VanDerWaalsContact C-N 3.33Å; A328-R330 PolarHBondContact O-N 3.07Å; R330-K333 PolarHBondContact O-N 3.02Å; R330-T334 WeakPolarHBondContact O-CB 3.24Å; R330-T334 PolarHBondContact O-N 3.42Å; R330-T334 PolarHBondContact O-OG1 3.35Å
331V85.3Confident82.4Confident4 Ų448.4 Ų48.42%0.02426%0.262CS..Hα-helixtrans-58.2-52.9174.8168.40000109.8A19 I63 V66 E67 L70 L72 R327 A328 K333 T334 F335A19-V331 HydrophobicContact CB-CG1 3.97Å; I63-V331 HydrophobicContact CG2-CG2 4.42Å; V66-V331 HydrophobicContact CB-CG1 3.93Å; V66-V331 HydrophobicContact CG1-CG1 3.25Å; E67-V331 HydrophobicContact CG-CG2 3.87Å; L70-V331 HydrophobicContact CD1-CG1 4.37Å; L72-V331 HydrophobicContact CD1-CB 4.44Å; L72-V331 HydrophobicContact CD1-CG2 3.64Å; R327-V331 WeakPolarHBondContact O-CG2 3.28Å; R327-V331 PolarHBondContact O-N 3.05Å; A328-V331 WeakPolarHBondContact O-CB 3.34Å; A328-V331 PolarHBondContact O-N 2.94Å; V331-K333 PolarHBondContact O-N 3.34Å; V331-T334 PolarHBondContact O-N 3.26Å; V331-F335 VanDerWaalsContact O-CB 3.31Å; V331-F335 WeakPolarHBondContact O-CB 2.96Å; V331-F335 PolarHBondContact O-N 3.32Å
332C84.2Confident82.3Confident7 Ų750.2 Ų50.25%0.04727%0.272CS..Hα-helixtrans-58.9-46.5179.2-610000112.3A19 A328 T329 F335 Q336A19-C332 VanDerWaalsContact C-SG 3.59Å; A19-C332 PolarHBondContact O-SG 3.46Å; A19-C332 VanDerWaalsContact O-SG 3.33Å; A328-C332 PolarHBondContact O-N 3.21Å; A328-C332 PolarHBondContact O-SG 3.44Å; T329-C332 PolarHBondContact O-N 3.49Å; C332-F335 PolarHBondContact O-N 3.28Å; C332-Q336 VanDerWaalsContact O-CG 3.32Å; C332-Q336 WeakPolarHBondContact O-CG 3.43Å; C332-Q336 PolarHBondContact O-N 3.29Å
333K84.9Confident82.2Confident122 Ų12249.2 Ų49.253%0.5327%0.27SS..Hα-helixtrans-64-42.6179.2-75-177.3178.4-174.40112.6T329 R330 V331 F335 Q336 L337T329-K333 HydrophobicContact CG2-CD 4.19Å; T329-K333 HydrophobicContact CG2-CG 4.42Å; T329-K333 WeakPolarHBondContact O-CB 3.47Å; T329-K333 WeakPolarHBondContact O-CG 3.49Å; T329-K333 PolarHBondContact O-N 2.93Å; R330-K333 PolarHBondContact O-N 3.02Å; V331-K333 PolarHBondContact O-N 3.34Å; K333-F335 VanDerWaalsContact C-N 3.32Å; K333-Q336 PolarHBondContact O-N 3.02Å; K333-L337 VanDerWaalsContact O-CG 3.31Å; K333-L337 WeakPolarHBondContact O-CG 2.91Å; K333-L337 PolarHBondContact O-N 2.98Å
334T84.3Confident82.1Confident22 Ų2251.2 Ų51.214%0.13528%0.282CS..Hα-helixtrans-67.2-40.1179.4-51.60000110.4L72 Y76 R330 V331 L337 L338L72-T334 HydrophobicContact CD2-CG2 3.59Å; Y76-T334 WeakPolarHBondContact CE2-OG1 3.37Å; Y76-T334 PolarHBondContact OH-OG1 2.85Å; R330-T334 WeakPolarHBondContact O-CB 3.24Å; R330-T334 PolarHBondContact O-N 3.42Å; R330-T334 PolarHBondContact O-OG1 3.35Å; V331-T334 PolarHBondContact O-N 3.26Å; T334-L337 PolarHBondContact O-N 3.24Å; T334-L338 HydrophobicContact CG2-CD1 4.16Å; T334-L338 HydrophobicContact CG2-CG 4.49Å; T334-L338 VanDerWaalsContact O-CG 3.29Å; T334-L338 WeakPolarHBondContact O-CG 3.26Å; T334-L338 PolarHBondContact O-N 3.27Å
335F80.6Confident81.9Confident14 Ų1454.2 Ų54.26%0.06130%0.298CS..Hα-helixtrans-60.4-49.8174.1-174.8-88.3000111.8E12 I15 A16 L70 V331 C332 K333 L337 L338 T339E12-F335 HydrophobicContact CB-CE2 4.25Å; E12-F335 HydrophobicContact CB-CZ 4.28Å; E12-F335 VanDerWaalsContact O-CE2 3.25Å; E12-F335 WeakPolarHBondContact O-CE2 2.86Å; E12-F335 WeakPolarHBondContact O-CZ 3.46Å; I15-F335 HydrophobicContact CB-CE2 4.2Å; I15-F335 HydrophobicContact CG2-CD2 4.07Å; I15-F335 HydrophobicContact CG2-CE2 4.22Å; A16-F335 HydrophobicContact CB-CD1 3.75Å; A16-F335 HydrophobicContact CB-CE1 3.05Å; A16-F335 HydrophobicContact CB-CE2 4.25Å; A16-F335 HydrophobicContact CB-CZ 3.37Å; L70-F335 HydrophobicContact CD1-CB 4.43Å; V331-F335 VanDerWaalsContact O-CB 3.31Å; V331-F335 WeakPolarHBondContact O-CB 2.96Å; V331-F335 PolarHBondContact O-N 3.32Å; C332-F335 PolarHBondContact O-N 3.28Å; K333-F335 VanDerWaalsContact C-N 3.32Å; F335-L337 VanDerWaalsContact C-N 3.3Å; F335-L337 PolarHBondContact O-N 2.81Å; F335-L338 PolarHBondContact O-N 3.23Å; F335-L338 VanDerWaalsContact O-N 3.1Å; F335-T339 HydrophobicContact CD1-CG2 3.99Å; F335-T339 HydrophobicContact CE1-CG2 3.31Å; F335-T339 HydrophobicContact CE2-CG2 4.23Å; F335-T339 HydrophobicContact CZ-CG2 3.45Å; F335-T339 VanDerWaalsContact CZ-CG2 3.45Å; F335-T339 PolarHBondContact O-N 3.47Å; F335-T339 PolarHBondContact O-OG1 3.39Å
336Q80.6Confident81.7Confident77 Ų7756.4 Ų56.436%0.3631%0.312SS..Hα-helixtrans-52.9-47.5175.1-75.4172.3-13.400111.8Y20 C332 K333 L338 T339 M340Y20-Q336 WeakPolarHBondContact OH-CG 3.36Å; Y20-Q336 PolarHBondContact OH-NE2 3.03Å; C332-Q336 VanDerWaalsContact O-CG 3.32Å; C332-Q336 WeakPolarHBondContact O-CG 3.43Å; C332-Q336 PolarHBondContact O-N 3.29Å; K333-Q336 PolarHBondContact O-N 3.02Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; Q336-L338 PolarHBondContact O-N 3.29Å; Q336-T339 WeakPolarHBondContact CA-OG1 3.27Å; Q336-T339 PolarHBondContact O-N 3.01Å; Q336-T339 PolarHBondContact O-OG1 3.14Å; Q336-M340 VanDerWaalsContact O-CG 3.3Å; Q336-M340 WeakPolarHBondContact O-CG 3.24Å; Q336-M340 PolarHBondContact O-N 3.38Å
337L82.8Confident81.5Confident122 Ų12258.7 Ų58.764%0.63932%0.324SS*.Hα-helixtrans-63.2-38.4178.9-71.4170.4000112.7K333 T334 F335 A341K333-L337 VanDerWaalsContact O-CG 3.31Å; K333-L337 WeakPolarHBondContact O-CG 2.91Å; K333-L337 PolarHBondContact O-N 2.98Å; T334-L337 PolarHBondContact O-N 3.24Å; F335-L337 VanDerWaalsContact C-N 3.3Å; F335-L337 PolarHBondContact O-N 2.81Å; L337-A341 PolarHBondContact O-N 3.02Å
338L80.6Confident81.1Confident78 Ų7862.4 Ų62.441%0.40835%0.345SS..Hα-helixtrans-69.9-32.6176.7-71.1170.7000112.4L70 T334 F335 Q336L70-L338 HydrophobicContact CD2-CD1 3.8Å; T334-L338 HydrophobicContact CG2-CD1 4.16Å; T334-L338 HydrophobicContact CG2-CG 4.49Å; T334-L338 VanDerWaalsContact O-CG 3.29Å; T334-L338 WeakPolarHBondContact O-CG 3.26Å; T334-L338 PolarHBondContact O-N 3.27Å; F335-L338 PolarHBondContact O-N 3.23Å; F335-L338 VanDerWaalsContact O-N 3.1Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; Q336-L338 PolarHBondContact O-N 3.29Å
339T77.3Confident80.7Confident73 Ų7366.9 Ų66.945%0.44837%0.369SS..Hα-helixtrans-79.8-20.7176.9540000114.5F335 Q336F335-T339 HydrophobicContact CD1-CG2 3.99Å; F335-T339 HydrophobicContact CE1-CG2 3.31Å; F335-T339 HydrophobicContact CE2-CG2 4.23Å; F335-T339 HydrophobicContact CZ-CG2 3.45Å; F335-T339 VanDerWaalsContact CZ-CG2 3.45Å; F335-T339 PolarHBondContact O-N 3.47Å; F335-T339 PolarHBondContact O-OG1 3.39Å; Q336-T339 WeakPolarHBondContact CA-OG1 3.27Å; Q336-T339 PolarHBondContact O-N 3.01Å; Q336-T339 PolarHBondContact O-OG1 3.14Å
340M74.9Confident80.3Confident165 Ų16569.2 Ų69.281%0.81338%0.379SS*.Hα-helixtrans-88.7-18176.9-69.2-176.1100.400113.1Q336Q336-M340 VanDerWaalsContact O-CG 3.3Å; Q336-M340 WeakPolarHBondContact O-CG 3.24Å; Q336-M340 PolarHBondContact O-N 3.38Å
341A63.6Low79.9Confident119 Ų11973 Ų7398%0.98340%0.404SS*.  trans-880174.600000110.5L337L337-A341 PolarHBondContact O-N 3.02Å

Retrieved 341 of 341 residues in 228 ms (Link to these results)

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