A0A087XMS7_POEFO Loading...

ST6 N-acetylgalactosaminide alpha-2,6-sialyltransferase 3

AlphaFold DB , UniProt , Accession A0A087XMS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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
1M46.2Very low54.1Low236 Ų236148.8 Ų148.8100%1.16370%0.697SS**  0129.50-63.5172.9178.500107.1
2R50.4Low54.8Low181 Ų181141.5 Ų141.568%0.68367%0.674SS**  cis-15778.6-3.5-109.6174.2171.5-167.67.9106.8R4 H5R2-R4 PolarHBondContact O-N 2.76Å; R2-H5 WeakPolarHBondContact CD-CD2 3.3Å; R2-H5 PolarHBondContact NH1-NE2 2.64Å
3P54.5Low55.5Low114 Ų114140.8 Ų140.874%0.7467%0.672SS**Hα-helixtrans-69.6-20.3179.1-15.429.5000113.2H5P3-H5 VanDerWaalsContact C-N 3.28Å; P3-H5 PolarHBondContact O-N 3.38Å
4R52.6Low56.4Low218 Ų218138.6 Ų138.682%0.82367%0.666SS**Hα-helixtrans-70.7-16.6-179.6-69.8-177.3175.7176.5-1.7114.3R2R2-R4 PolarHBondContact O-N 2.76Å
5H53.1Low57.3Low88 Ų88134.1 Ų134.141%0.40765%0.651SS.*Hα-helixtrans-80.4-38178.5-86.4-84.6000112.8R2 P3 L7 R8 L9R2-H5 WeakPolarHBondContact CD-CD2 3.3Å; R2-H5 PolarHBondContact NH1-NE2 2.64Å; P3-H5 VanDerWaalsContact C-N 3.28Å; P3-H5 PolarHBondContact O-N 3.38Å; H5-L7 VanDerWaalsContact C-N 3.35Å; H5-L7 PolarHBondContact O-N 3Å; H5-R8 PolarHBondContact O-N 3.11Å; H5-L9 PolarHBondContact O-N 2.88Å; H5-L9 VanDerWaalsContact O-N 3.15Å
6M55.5Low58.2Low155 Ų155132.8 Ų132.876%0.76465%0.647SS**Hα-helixtrans-65-38.7176.8-84.1-158.579.800112.3R8 L9 C10M6-R8 PolarHBondContact O-N 3.5Å; M6-L9 PolarHBondContact O-N 2.94Å; M6-C10 WeakPolarHBondContact O-CB 3.38Å; M6-C10 PolarHBondContact O-N 3.42Å
7L54Low59Low119 Ų119129.1 Ų129.162%0.62363%0.634SS**Hα-helixtrans-65.2-38.9179.3-148.179.6000112.1H5 C10 F11H5-L7 VanDerWaalsContact C-N 3.35Å; H5-L7 PolarHBondContact O-N 3Å; L7-C10 PolarHBondContact O-N 3.07Å; L7-F11 HydrophobicContact CG-CD2 4.45Å; L7-F11 WeakPolarHBondContact O-CD2 3.48Å; L7-F11 PolarHBondContact O-N 2.89Å
8R55.3Low59.9Low198 Ų198129.1 Ų129.175%0.74764%0.636SS**Hα-helixtrans-68-38.7176.5-77.2-175175.2-172.6-1.7112.9H5 M6 C10 S12H5-R8 PolarHBondContact O-N 3.11Å; M6-R8 PolarHBondContact O-N 3.5Å; R8-C10 VanDerWaalsContact C-N 3.35Å; R8-S12 WeakPolarHBondContact O-CB 3.41Å; R8-S12 PolarHBondContact O-N 3.02Å
9L57.9Low60.6Low119 Ų119127.6 Ų127.662%0.62363%0.631SS**Hα-helixtrans-64.9-39.5174.2-94.1139.2000111.7H5 M6 S12 M13H5-L9 PolarHBondContact O-N 2.88Å; H5-L9 VanDerWaalsContact O-N 3.15Å; M6-L9 PolarHBondContact O-N 2.94Å; L9-S12 PolarHBondContact O-N 2.81Å; L9-M13 PolarHBondContact O-N 3.38Å
10C57.9Low61.3Low74 Ų74127.9 Ų127.950%0.563%0.628SS.*Hα-helixtrans-67.5-43.5177.9-145.20000112M6 L7 R8 S12 M13 L14M6-C10 WeakPolarHBondContact O-CB 3.38Å; M6-C10 PolarHBondContact O-N 3.42Å; L7-C10 PolarHBondContact O-N 3.07Å; R8-C10 VanDerWaalsContact C-N 3.35Å; C10-S12 VanDerWaalsContact C-N 3.34Å; C10-S12 PolarHBondContact O-N 3.19Å; C10-M13 PolarHBondContact O-N 3.13Å; C10-L14 PolarHBondContact O-N 3.13Å
11F58Low61.8Low135 Ų135129.5 Ų129.559%0.59263%0.627SS**Hα-helixtrans-62.5-38.7173.3-96.8-84.7000112.6L7 L14 T15L7-F11 HydrophobicContact CG-CD2 4.45Å; L7-F11 WeakPolarHBondContact O-CD2 3.48Å; L7-F11 PolarHBondContact O-N 2.89Å; F11-L14 PolarHBondContact O-N 3.47Å; F11-T15 WeakPolarHBondContact O-CG2 3.47Å; F11-T15 PolarHBondContact O-N 3.26Å; F11-T15 PolarHBondContact O-OG1 2.79Å; F11-T15 VanDerWaalsContact O-OG1 3.14Å
12S62.2Low63Low61 Ų61122.8 Ų122.843%0.42760%0.596SS.*Hα-helixtrans-66.8-37.1176.2-175.30000112.8R8 L9 C10 T15 L16R8-S12 WeakPolarHBondContact O-CB 3.41Å; R8-S12 PolarHBondContact O-N 3.02Å; L9-S12 PolarHBondContact O-N 2.81Å; C10-S12 VanDerWaalsContact C-N 3.34Å; C10-S12 PolarHBondContact O-N 3.19Å; S12-T15 PolarHBondContact O-OG1 3.39Å; S12-L16 WeakPolarHBondContact O-CB 3.13Å; S12-L16 WeakPolarHBondContact O-CD1 3.34Å; S12-L16 PolarHBondContact O-N 3.07Å; S12-L16 VanDerWaalsContact O-N 3.17Å
13M64.2Low64Low132 Ų132123.4 Ų123.465%0.6560%0.598SS**Hα-helixtrans-68-42.3175.4-87.7-89.7-166.900111.4L9 C10 L16 T17L9-M13 PolarHBondContact O-N 3.38Å; C10-M13 PolarHBondContact O-N 3.13Å; M13-L16 PolarHBondContact O-N 3.07Å; M13-T17 WeakPolarHBondContact O-CG2 3.49Å; M13-T17 PolarHBondContact O-N 3.01Å; M13-T17 PolarHBondContact O-OG1 3.36Å
14L68.4Low64.6Low110 Ų110120.1 Ų120.158%0.57658%0.576SS**Hα-helixtrans-65.4-36.1177.2-83.7152.3000113C10 F11 T17 L18C10-L14 PolarHBondContact O-N 3.13Å; F11-L14 PolarHBondContact O-N 3.47Å; L14-T17 PolarHBondContact O-OG1 2.86Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.1Å
15T69.9Low65.2Low72 Ų72114.4 Ų114.444%0.44256%0.561SS.*Hα-helixtrans-74.1-36.4176.652.70000112.5F11 S12 L18 L19F11-T15 WeakPolarHBondContact O-CG2 3.47Å; F11-T15 PolarHBondContact O-N 3.26Å; F11-T15 PolarHBondContact O-OG1 2.79Å; F11-T15 VanDerWaalsContact O-OG1 3.14Å; S12-T15 PolarHBondContact O-OG1 3.39Å; T15-L18 PolarHBondContact O-N 3.06Å; T15-L19 WeakPolarHBondContact O-CB 3.36Å; T15-L19 VanDerWaalsContact O-CG 3.26Å; T15-L19 WeakPolarHBondContact O-CG 3.42Å; T15-L19 PolarHBondContact O-N 3.35Å
16L71.4Confident65.6Low112 Ų112114.1 Ų114.159%0.58656%0.562SS**Hα-helixtrans-65.3-41174.9-92.1153.4000112.2S12 M13 F20S12-L16 WeakPolarHBondContact O-CB 3.13Å; S12-L16 WeakPolarHBondContact O-CD1 3.34Å; S12-L16 PolarHBondContact O-N 3.07Å; S12-L16 VanDerWaalsContact O-N 3.17Å; M13-L16 PolarHBondContact O-N 3.07Å; L16-F20 WeakPolarHBondContact O-CB 3.37Å; L16-F20 PolarHBondContact O-N 3.33Å
17T71.8Confident65.8Low70 Ų70109.1 Ų109.143%0.42955%0.545SS..Hα-helixtrans-68.7-41.8174.752.90000111.4M13 L14 L19 F20 W21M13-T17 WeakPolarHBondContact O-CG2 3.49Å; M13-T17 PolarHBondContact O-N 3.01Å; M13-T17 PolarHBondContact O-OG1 3.36Å; L14-T17 PolarHBondContact O-OG1 2.86Å; T17-L19 PolarHBondContact O-N 3Å; T17-F20 PolarHBondContact O-N 2.99Å; T17-W21 WeakPolarHBondContact O-CB 3.49Å; T17-W21 PolarHBondContact O-N 2.8Å
18L74Confident65.7Low129 Ų129109 Ų10968%0.67554%0.542SS*.Hα-helixtrans-61.7-42.4176-158.186.9000112L14 T15 W21 L22L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.1Å; T15-L18 PolarHBondContact O-N 3.06Å; L18-W21 PolarHBondContact O-N 2.91Å; L18-L22 VanDerWaalsContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 PolarHBondContact O-N 2.8Å
19L74.1Confident65.4Low102 Ų102106.4 Ų106.453%0.53454%0.542SS..Hα-helixtrans-67.3-35.9175.7-75.3168.2000112.3T15 T17 R23T15-L19 WeakPolarHBondContact O-CB 3.36Å; T15-L19 VanDerWaalsContact O-CG 3.26Å; T15-L19 WeakPolarHBondContact O-CG 3.42Å; T15-L19 PolarHBondContact O-N 3.35Å; T17-L19 PolarHBondContact O-N 3Å; L19-R23 WeakPolarHBondContact O-CB 3.42Å; L19-R23 VanDerWaalsContact O-CG 3.29Å; L19-R23 WeakPolarHBondContact O-CG 3.31Å; L19-R23 PolarHBondContact O-N 2.76Å
20F75.2Confident64.9Low132 Ų132110.5 Ų110.558%0.57955%0.55SS*.Hα-helixtrans-65.4-47.1173.3-179.1-97.9000111.1L16 T17 L22 R23 V24L16-F20 WeakPolarHBondContact O-CB 3.37Å; L16-F20 PolarHBondContact O-N 3.33Å; T17-F20 PolarHBondContact O-N 2.99Å; F20-L22 PolarHBondContact O-N 3.33Å; F20-R23 WeakPolarHBondContact O-CB 3.23Å; F20-R23 PolarHBondContact O-N 3.42Å; F20-V24 HydrophobicContact CD1-CG2 4.19Å; F20-V24 HydrophobicContact CE1-CG2 3.85Å; F20-V24 HydrophobicContact CZ-CG2 4.03Å; F20-V24 WeakPolarHBondContact O-CG2 3.46Å; F20-V24 PolarHBondContact O-N 3.19Å
21W72.1Confident64.4Low162 Ų162113.1 Ų113.161%0.61456%0.558SS**Hα-helixtrans-64.4-37.9175.7-81.8105000112.6T17 L18 V24 L25T17-W21 WeakPolarHBondContact O-CB 3.49Å; T17-W21 PolarHBondContact O-N 2.8Å; L18-W21 PolarHBondContact O-N 2.91Å; W21-V24 PolarHBondContact O-N 3.33Å; W21-L25 WeakPolarHBondContact O-CB 3.41Å; W21-L25 WeakPolarHBondContact O-CG 3.46Å; W21-L25 PolarHBondContact O-N 3.02Å
22L71.2Confident63.5Low96 Ų96111.3 Ų111.350%0.50356%0.562SS.*Hα-helixtrans-66-38.5173.7-160.879000111.1L18 F20 L25 I26L18-L22 VanDerWaalsContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 PolarHBondContact O-N 2.8Å; F20-L22 PolarHBondContact O-N 3.33Å; L22-L25 PolarHBondContact O-N 2.68Å; L22-I26 HydrophobicContact CD2-CD1 4.28Å; L22-I26 HydrophobicContact CG-CD1 3.97Å; L22-I26 VanDerWaalsContact O-CB 3.28Å; L22-I26 WeakPolarHBondContact O-CB 3.31Å; L22-I26 WeakPolarHBondContact O-CD1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.29Å; L22-I26 PolarHBondContact O-N 3.13Å
23R70.5Confident62.5Low193 Ų193114.4 Ų114.473%0.72858%0.581SS**Hα-helixtrans-66.9-37.5172.5-78.3-178.2-179.7-160.21.4112.5L19 F20 A27L19-R23 WeakPolarHBondContact O-CB 3.42Å; L19-R23 VanDerWaalsContact O-CG 3.29Å; L19-R23 WeakPolarHBondContact O-CG 3.31Å; L19-R23 PolarHBondContact O-N 2.76Å; F20-R23 WeakPolarHBondContact O-CB 3.23Å; F20-R23 PolarHBondContact O-N 3.42Å; R23-A27 WeakPolarHBondContact O-CB 3.29Å; R23-A27 PolarHBondContact O-N 3.12Å
24V66.9Low61.3Low45 Ų45111.5 Ų111.527%0.27358%0.578SS.*Hα-helixtrans-67.7-42174.9170.10000110.8F20 W21 A27 Q28F20-V24 HydrophobicContact CD1-CG2 4.19Å; F20-V24 HydrophobicContact CE1-CG2 3.85Å; F20-V24 HydrophobicContact CZ-CG2 4.03Å; F20-V24 WeakPolarHBondContact O-CG2 3.46Å; F20-V24 PolarHBondContact O-N 3.19Å; W21-V24 PolarHBondContact O-N 3.33Å; V24-A27 CarbonylContact O-C 3.52Å; V24-A27 PolarHBondContact O-N 3.34Å; V24-Q28 WeakPolarHBondContact O-CB 3.23Å; V24-Q28 PolarHBondContact O-N 3.37Å
25L64.7Low60Low98 Ų98111.7 Ų111.751%0.51360%0.595SS.*Hα-helixtrans-63.6-46.3173.7-79.5160.9000111.7W21 L22 A27 Q28 D29W21-L25 WeakPolarHBondContact O-CB 3.41Å; W21-L25 WeakPolarHBondContact O-CG 3.46Å; W21-L25 PolarHBondContact O-N 3.02Å; L22-L25 PolarHBondContact O-N 2.68Å; L25-A27 VanDerWaalsContact C-N 3.27Å; L25-A27 PolarHBondContact O-N 3.46Å; L25-Q28 PolarHBondContact O-N 3.14Å; L25-D29 PolarHBondContact O-N 2.85Å
26I63.2Low58.9Low82 Ų82116.1 Ų116.142%0.42161%0.61SS.*Hα-helixtrans-65.4-31.2174.7-67.3164.7000111.2L22 R30L22-I26 HydrophobicContact CD2-CD1 4.28Å; L22-I26 HydrophobicContact CG-CD1 3.97Å; L22-I26 VanDerWaalsContact O-CB 3.28Å; L22-I26 WeakPolarHBondContact O-CB 3.31Å; L22-I26 WeakPolarHBondContact O-CD1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.29Å; L22-I26 PolarHBondContact O-N 3.13Å; I26-R30 WeakPolarHBondContact O-CG 3.4Å; I26-R30 PolarHBondContact O-N 3.19Å; I26-R30 VanDerWaalsContact O-N 3.12Å
27A57.9Low57.7Low50 Ų50117.7 Ų117.741%0.41362%0.619SS.*Hα-helixtrans-75.8-32.4174.300000112.3R23 V24 L25 R30 L31R23-A27 WeakPolarHBondContact O-CB 3.29Å; R23-A27 PolarHBondContact O-N 3.12Å; V24-A27 CarbonylContact O-C 3.52Å; V24-A27 PolarHBondContact O-N 3.34Å; L25-A27 VanDerWaalsContact C-N 3.27Å; L25-A27 PolarHBondContact O-N 3.46Å; A27-R30 CarbonylContact O-C 3.6Å; A27-R30 PolarHBondContact O-N 2.75Å; A27-L31 PolarHBondContact O-N 2.99Å
28Q53.5Low57.2Low117 Ų117117.2 Ų117.255%0.54762%0.619SS.*Hα-helixtrans-70.3-35171.2-86.6173.6-63.400111.9V24 L25 R30 L31V24-Q28 WeakPolarHBondContact O-CB 3.23Å; V24-Q28 PolarHBondContact O-N 3.37Å; L25-Q28 PolarHBondContact O-N 3.14Å; Q28-R30 VanDerWaalsContact C-N 3.26Å; Q28-R30 PolarHBondContact O-N 3Å; Q28-L31 HydrophobicContact CG-CD1 4.44Å; Q28-L31 PolarHBondContact O-N 3.48Å
29D48.9Very low57.8Low143 Ų143112.9 Ų112.977%0.76560%0.6SS**Hα-helixtrans-70.6-20.9169.3-83.1-17.9000112.9L25L25-D29 PolarHBondContact O-N 2.85Å
30R47.6Very low58.7Low206 Ų206109.1 Ų109.178%0.77758%0.58SS**Hα-helixtrans-91.2-10171.5-74.4-173.4-165.3-139.54.4114.1I26 A27 Q28 S32I26-R30 WeakPolarHBondContact O-CG 3.4Å; I26-R30 PolarHBondContact O-N 3.19Å; I26-R30 VanDerWaalsContact O-N 3.12Å; A27-R30 CarbonylContact O-C 3.6Å; A27-R30 PolarHBondContact O-N 2.75Å; Q28-R30 VanDerWaalsContact C-N 3.26Å; Q28-R30 PolarHBondContact O-N 3Å; R30-S32 PolarHBondContact O-N 3.1Å
31L45.8Very low59.5Low129 Ų129111.2 Ų111.268%0.67558%0.584SS**SBendtrans-75.288165.4-80.5163.9000107A27 Q28A27-L31 PolarHBondContact O-N 2.99Å; Q28-L31 HydrophobicContact CG-CD1 4.44Å; Q28-L31 PolarHBondContact O-N 3.48Å
32S40.7Very low60.6Low96 Ų96103.8 Ų103.867%0.67156%0.558SS**  trans23111.2158.6-58.40000115.4R30 A34R30-S32 PolarHBondContact O-N 3.1Å; S32-A34 VanDerWaalsContact C-N 3.27Å; S32-A34 PolarHBondContact O-N 3.29Å
33P40.9Very low61.9Low127 Ų12799.5 Ų99.583%0.82554%0.535SS*.SBendtrans-63.796.6168.227.2-31.4000108.4
34A39Very low63.1Low71 Ų7190.7 Ų90.759%0.58750%0.503SS*.  trans54.1134.1169.600000116.3S32 Q36S32-A34 VanDerWaalsContact C-N 3.27Å; S32-A34 PolarHBondContact O-N 3.29Å; A34-Q36 HydrophobicContact CB-CG 4.17Å; A34-Q36 PolarHBondContact O-N 2.96Å
35A41.6Very low64.5Low113 Ų11392.4 Ų92.493%0.93451%0.505SS*.  trans-58.376.214200000108.1N37A35-N37 PolarHBondContact O-N 3.18Å
36Q45.3Very low65.9Low165 Ų16587.9 Ų87.977%0.77148%0.481SS*.  trans-63.7119.6166.8-91.3-170-24.500105.7A34 S38A34-Q36 HydrophobicContact CB-CG 4.17Å; A34-Q36 PolarHBondContact O-N 2.96Å; Q36-S38 PolarHBondContact O-N 3.21Å
37N47Very low67.2Low145 Ų14585.8 Ų85.878%0.77547%0.474SS*.  trans-20.897.6170.5-98.1-35.4000112A35 S39A35-N37 PolarHBondContact O-N 3.18Å; N37-S39 PolarHBondContact O-N 3.5Å
38S61.6Low68.3Low61 Ų6187.2 Ų87.243%0.42748%0.478SS..  trans-67.4-4.4-175.149.30000113.4Q36 L40 D56Q36-S38 PolarHBondContact O-N 3.21Å; S38-L40 PolarHBondContact O-N 3.38Å; S38-L40 VanDerWaalsContact O-N 3.13Å; S38-D56 WeakPolarHBondContact CB-OD1 3.28Å; S38-D56 VanDerWaalsContact OG-CG 3.31Å; S38-D56 PolarHBondContact OG-OD1 3.16Å; S38-D56 PolarHBondContact OG-OD2 2.81Å
39S85.4Confident69.4Low38 Ų3888.2 Ų88.227%0.26648%0.483SS..EExtended strand (participates in β ladder)trans-64.8104.2171.8155.10000111.7N37 R41 F54 L55N37-S39 PolarHBondContact O-N 3.5Å; S39-R41 PolarHBondContact O-N 2.95Å; S39-F54 VanDerWaalsContact OG-CB 3.27Å; S39-F54 WeakPolarHBondContact OG-CB 3.32Å; S39-L55 CarbonylContact C-O 3.53Å; S39-L55 WeakPolarHBondContact CA-O 3.41Å
40L93.1Very high70.4Confident23 Ų2393.3 Ų93.312%0.1249%0.491CS..EExtended strand (participates in β ladder)trans-66.297.3172.1-54.2-178.5000110.6S38 G42 Y43 L55 V57 L206 E209 M210S38-L40 PolarHBondContact O-N 3.38Å; S38-L40 VanDerWaalsContact O-N 3.13Å; L40-G42 PolarHBondContact O-N 3.38Å; L40-Y43 HydrophobicContact CB-CD2 3.68Å; L40-Y43 HydrophobicContact CB-CE2 4Å; L40-Y43 WeakPolarHBondContact O-CD2 3.43Å; L40-L55 WeakPolarHBondContact CB-O 3.34Å; L40-L55 HydrophobicContact CD1-CD2 4.15Å; L40-L55 HydrophobicContact CD1-CG 4.37Å; L40-L55 PolarHBondContact N-O 2.93Å; L40-V57 HydrophobicContact CD1-CG1 3.78Å; L40-L206 HydrophobicContact CD1-CD1 3.86Å; L40-E209 HydrophobicContact CD2-CB 4.24Å; L40-E209 WeakPolarHBondContact CD2-O 3.2Å; L40-M210 HydrophobicContact CD1-CB 3.76Å
41R92.9Very high71.9Confident176 Ų17691.4 Ų91.466%0.66449%0.489SS*.EExtended strand (participates in β ladder)trans-60.1137.4178.7-68.4-175.8-177.2-94.50.7110.6S39 K174S39-R41 PolarHBondContact O-N 2.95Å; R41-K174 WeakPolarHBondContact O-CE 3.42Å; R41-K174 PolarHBondContact O-NZ 3.14Å
42G95.5Very high73.7Confident6 Ų689.7 Ų89.76%0.06248%0.484CS..EExtended strand (participates in β ladder)trans95.72.1176.900000115.3L40 V170 T171 K174L40-G42 PolarHBondContact O-N 3.38Å; G42-V170 WeakPolarHBondContact O-CA 3.49Å; G42-T171 VanDerWaalsContact CA-OG1 3.3Å; G42-T171 WeakPolarHBondContact CA-OG1 3.47Å; G42-T171 WeakPolarHBondContact O-CG2 3.45Å; G42-T171 PolarHBondContact O-N 2.99Å; G42-T171 PolarHBondContact O-OG1 3.45Å; G42-K174 WeakPolarHBondContact O-CB 3.35Å
43Y97.3Very high76.2Confident5 Ų588.3 Ų88.32%0.0247%0.471CS..EExtended strand (participates in β ladder)trans-116.295.5166-49.2-84.5000108.2L40 F54 L55 V135 V169 V170 K174 L206 E209L40-Y43 HydrophobicContact CB-CD2 3.68Å; L40-Y43 HydrophobicContact CB-CE2 4Å; L40-Y43 WeakPolarHBondContact O-CD2 3.43Å; Y43-F54 CarbonylContact O-C 3.54Å; Y43-F54 VanDerWaalsContact O-CA 3.25Å; Y43-F54 WeakPolarHBondContact O-CA 3.35Å; Y43-L55 HydrophobicContact CG-CD2 4.4Å; Y43-L55 PolarHBondContact O-N 3.4Å; Y43-V135 HydrophobicContact CD1-CG1 3.72Å; Y43-V135 HydrophobicContact CE1-CG1 4.28Å; Y43-V169 CarbonylContact C-O 3.55Å; Y43-V169 WeakPolarHBondContact CA-O 3.46Å; Y43-V170 HydrophobicContact CD1-CG2 3.98Å; Y43-V170 HydrophobicContact CE1-CG2 4.07Å; Y43-K174 HydrophobicContact CE1-CG 4.29Å; Y43-L206 HydrophobicContact CD1-CD1 4.44Å; Y43-L206 HydrophobicContact CD2-CD1 4.29Å; Y43-L206 HydrophobicContact CE1-CB 4.37Å; Y43-L206 HydrophobicContact CE1-CD1 3.97Å; Y43-L206 HydrophobicContact CE1-CD2 4.39Å; Y43-L206 HydrophobicContact CE1-CG 4.48Å; Y43-L206 HydrophobicContact CE2-CD1 3.82Å; Y43-E209 WeakPolarHBondContact CE2-OE2 3.38Å; Y43-E209 PolarHBondContact OH-OE2 3.17Å
44S95.9Very high78.8Confident9 Ų985 Ų856%0.06344%0.444CS..EExtended strand (participates in β ladder)trans-96.5136-173.764.40000111.6T53 Y168 V169S44-T53 CarbonylContact C-O 3.56Å; S44-T53 WeakPolarHBondContact CA-O 3.46Å; S44-Y168 CarbonylContact O-C 3.51Å; S44-Y168 VanDerWaalsContact O-CA 3.28Å; S44-Y168 WeakPolarHBondContact O-CA 3.42Å; S44-V169 PolarHBondContact N-O 3.18Å; S44-V169 PolarHBondContact O-N 3.21Å; S44-V169 VanDerWaalsContact OG-CG2 3.25Å; S44-V169 WeakPolarHBondContact OG-CG2 3.3Å
45R95.9Very high81.5Confident81 Ų8181.9 Ų81.931%0.30642%0.418SS..EExtended strand (participates in β ladder)trans-60.3135.9178-161.4174.2-154.5-84.6-1.1110.9S47 T53 N166 Y168R45-S47 PolarHBondContact O-N 2.71Å; R45-T53 WeakPolarHBondContact CB-O 3.48Å; R45-T53 PolarHBondContact N-O 3.33Å; R45-N166 PolarHBondContact NH2-OD1 3.24Å; R45-Y168 VanDerWaalsContact CA-CD1 3.49Å; R45-Y168 HydrophobicContact CB-CD1 3.98Å; R45-Y168 HydrophobicContact CB-CE1 3.74Å; R45-Y168 HydrophobicContact CG-CD1 4.48Å; R45-Y168 HydrophobicContact CG-CE1 4.09Å; R45-Y168 VanDerWaalsContact N-CD1 3.34Å
46I95.4Very high84Confident3 Ų381.2 Ų81.22%0.01540%0.398CS..PPolyproline II helixtrans-79.3116.5168.8-51.8-178.5000107F136 F152 L155 L156 A159 M167 V169I46-F136 HydrophobicContact CD1-CD2 4.02Å; I46-F152 HydrophobicContact CG1-CE2 4.49Å; I46-F152 HydrophobicContact CG2-CE2 4.43Å; I46-F152 HydrophobicContact CG2-CZ 4.4Å; I46-L155 HydrophobicContact CD1-CB 3.68Å; I46-L155 HydrophobicContact CD1-CD1 4Å; I46-L155 HydrophobicContact CD1-CG 4.38Å; I46-L156 HydrophobicContact CG2-CB 4.42Å; I46-L156 HydrophobicContact CG2-CD1 4.04Å; I46-A159 HydrophobicContact CB-CB 4.27Å; I46-A159 HydrophobicContact CG2-CB 3.91Å; I46-M167 HydrophobicContact CB-CB 4.24Å; I46-M167 HydrophobicContact CD1-CB 3.99Å; I46-M167 HydrophobicContact CG1-CB 4.27Å; I46-M167 PolarHBondContact N-O 3.01Å; I46-V169 HydrophobicContact CD1-CG1 3.54Å; I46-V169 HydrophobicContact CG1-CG1 3.7Å
47S89.2Confident86.3Confident38 Ų3875.2 Ų75.227%0.26637%0.373SS..  trans-145.8142.3-177.3178.70000109.6R45 H49R45-S47 PolarHBondContact O-N 2.71Å; S47-H49 WeakPolarHBondContact CB-O 3.42Å; S47-H49 PolarHBondContact O-N 2.88Å; S47-H49 PolarHBondContact OG-N 3.49Å; S47-H49 VanDerWaalsContact OG-N 3.12Å; S47-H49 PolarHBondContact OG-O 3.45Å
48P81.4Confident88.6Confident79 Ų7973.9 Ų73.951%0.51336%0.362SS..SBendtrans-64.7-24.2169.527.3-33.7000111.7V160P48-V160 HydrophobicContact CB-CG2 4.25Å; P48-V160 HydrophobicContact CG-CG2 4.15Å
49H76.5Confident90.3Very high139 Ų13971.4 Ų71.464%0.64434%0.344SS*.SBendtrans-89.4122.6177.3-57.710.3000107.3S47 K51S47-H49 WeakPolarHBondContact CB-O 3.42Å; S47-H49 PolarHBondContact O-N 2.88Å; S47-H49 PolarHBondContact OG-N 3.49Å; S47-H49 VanDerWaalsContact OG-N 3.12Å; S47-H49 PolarHBondContact OG-O 3.45Å; H49-K51 PolarHBondContact O-N 3Å
50R69.3Low90.9Very high249 Ų24973.3 Ų73.394%0.9436%0.358SS*.  trans-64.918.3-176.1-66.2-174.5176.5179.4-0.7114.8T52R50-T52 PolarHBondContact O-N 2.95Å
51K80.9Confident91.1Very high166 Ų16673.6 Ų73.672%0.72236%0.358SS*.  trans-79110.6173.4-172176.6-177.9179.20109.3H49 T53H49-K51 PolarHBondContact O-N 3Å; K51-T53 PolarHBondContact O-N 3.48Å
52T82.9Confident91.4Very high94 Ų9465.2 Ų65.258%0.57733%0.327SS*.  trans-67.8116.2174.7-49.30000109.8R50 F54R50-T52 PolarHBondContact O-N 2.95Å; T52-F54 HydrophobicContact CG2-CD1 4.38Å; T52-F54 HydrophobicContact CG2-CE1 3.71Å; T52-F54 HydrophobicContact CG2-CE2 4.22Å; T52-F54 HydrophobicContact CG2-CZ 3.62Å
53T92.6Very high91.6Very high66 Ų6664.9 Ų64.941%0.40532%0.324SS..  trans-119.8134169.4-51.90000107.1S44 R45 K51S44-T53 CarbonylContact C-O 3.56Å; S44-T53 WeakPolarHBondContact CA-O 3.46Å; R45-T53 WeakPolarHBondContact CB-O 3.48Å; R45-T53 PolarHBondContact N-O 3.33Å; K51-T53 PolarHBondContact O-N 3.48Å
54F95.3Very high91.6Very high59 Ų5964.7 Ų64.726%0.25932%0.323SS..EExtended strand (participates in β ladder)trans-93.7161.7179.5-63.8-63.3000111.4S39 Y43 T52 D56S39-F54 VanDerWaalsContact OG-CB 3.27Å; S39-F54 WeakPolarHBondContact OG-CB 3.32Å; Y43-F54 CarbonylContact O-C 3.54Å; Y43-F54 VanDerWaalsContact O-CA 3.25Å; Y43-F54 WeakPolarHBondContact O-CA 3.35Å; T52-F54 HydrophobicContact CG2-CD1 4.38Å; T52-F54 HydrophobicContact CG2-CE1 3.71Å; T52-F54 HydrophobicContact CG2-CE2 4.22Å; T52-F54 HydrophobicContact CG2-CZ 3.62Å; F54-D56 PolarHBondContact O-N 3.03Å
55L95.5Very high91.8Very high4 Ų464.3 Ų64.32%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-63.5127.3173.1178.160.8000108.9S39 L40 Y43 V57 M107 T133 V135 Y168 L206S39-L55 CarbonylContact C-O 3.53Å; S39-L55 WeakPolarHBondContact CA-O 3.41Å; L40-L55 WeakPolarHBondContact CB-O 3.34Å; L40-L55 HydrophobicContact CD1-CD2 4.15Å; L40-L55 HydrophobicContact CD1-CG 4.37Å; L40-L55 PolarHBondContact N-O 2.93Å; Y43-L55 HydrophobicContact CG-CD2 4.4Å; Y43-L55 PolarHBondContact O-N 3.4Å; L55-V57 HydrophobicContact CD1-CB 4.35Å; L55-V57 HydrophobicContact CD1-CG1 4.03Å; L55-V57 HydrophobicContact CD2-CG1 3.94Å; L55-V57 HydrophobicContact CG-CB 4.49Å; L55-V57 HydrophobicContact CG-CG1 3.76Å; L55-M107 HydrophobicContact CD2-CE 4.08Å; L55-T133 HydrophobicContact CD1-CG2 4.02Å; L55-V135 HydrophobicContact CD2-CG2 4.23Å; L55-Y168 VanDerWaalsContact CA-CE1 3.46Å; L55-Y168 HydrophobicContact CB-CD1 3.89Å; L55-Y168 HydrophobicContact CB-CE1 3.88Å; L55-Y168 HydrophobicContact CB-CG 4.37Å; L55-Y168 HydrophobicContact CD1-CD2 4.1Å; L55-Y168 HydrophobicContact CD1-CE1 4.25Å; L55-Y168 HydrophobicContact CD1-CE2 3.71Å; L55-L206 HydrophobicContact CD2-CD1 4.08Å
56D94.6Very high91.9Very high100 Ų10060.9 Ų60.954%0.53531%0.308SS..EExtended strand (participates in β ladder)trans-122.5104.5177.8-177.27.1000107.6S38 F54S38-D56 WeakPolarHBondContact CB-OD1 3.28Å; S38-D56 VanDerWaalsContact OG-CG 3.31Å; S38-D56 PolarHBondContact OG-OD1 3.16Å; S38-D56 PolarHBondContact OG-OD2 2.81Å; F54-D56 PolarHBondContact O-N 3.03Å
57V94.4Very high92Very high38 Ų3861.3 Ų61.323%0.2331%0.312CS..  trans-158.7138.5-174.867.60000110.4L40 L55 M107 M210L40-V57 HydrophobicContact CD1-CG1 3.78Å; L55-V57 HydrophobicContact CD1-CB 4.35Å; L55-V57 HydrophobicContact CD1-CG1 4.03Å; L55-V57 HydrophobicContact CD2-CG1 3.94Å; L55-V57 HydrophobicContact CG-CB 4.49Å; L55-V57 HydrophobicContact CG-CG1 3.76Å; V57-M107 HydrophobicContact CG1-CE 4.08Å; V57-M210 HydrophobicContact CB-CE 4.27Å; V57-M210 HydrophobicContact CG1-CB 4.14Å; V57-M210 HydrophobicContact CG1-CE 3.65Å; V57-M210 HydrophobicContact CG1-SD 4.03Å; V57-M210 HydrophobicContact CG2-CE 3.6Å
58H95.9Very high92.4Very high117 Ų11759.5 Ų59.554%0.54230%0.299SS..  trans-136.1146.2169.9173-96.1000108.9M210 D212H58-M210 CarbonylContact C-O 3.59Å; H58-M210 WeakPolarHBondContact CA-O 3.46Å; H58-D212 IonicContact CD2-OD1 3.85Å; H58-D212 IonicContact CE1-OD1 3.64Å; H58-D212 IonicContact CE1-OD2 3.39Å; H58-D212 PolarHBondContact CE1-OD2 3.02Å; H58-D212 IonicContact NE2-OD1 3.22Å; H58-D212 PolarHBondContact NE2-OD1 3.14Å; H58-D212 IonicContact NE2-OD2 2.78Å; H58-D212 PolarHBondContact NE2-OD2 3.05Å
59C96.3Very high93.2Very high9 Ų955.8 Ų55.86%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-144.9129.6178.9-153.80000111.7H61 C85 M210 C211 D212C59-H61 VanDerWaalsContact C-N 3.32Å; C59-H61 PolarHBondContact O-N 2.91Å; C59-H61 PolarHBondContact SG-O 3.15Å; C59-C85 HydrophobicContact CB-CB 3.94Å; C59-C85 WeakPolarHBondContact CB-SG 3.39Å; C59-C85 WeakPolarHBondContact SG-CB 3.41Å; C59-C85 PolarHBondContact SG-N 3.13Å; C59-C85 CovalentContact SG-SG 2.04Å; C59-C85 PolarHBondContact SG-SG 3.31Å; C59-M210 HydrophobicContact CB-CE 4.37Å; C59-M210 PolarHBondContact N-O 2.84Å; C59-C211 WeakPolarHBondContact O-CA 3.49Å; C59-D212 PolarHBondContact O-N 2.79Å; C59-D212 VanDerWaalsContact O-N 3.09Å
60S97.3Very high94.2Very high79 Ų7950.4 Ų50.455%0.55225%0.25SS*.EExtended strand (participates in β ladder)trans-65.2-36.2179.358.70000113D212 R213S60-D212 WeakPolarHBondContact CA-OD2 3.26Å; S60-D212 WeakPolarHBondContact O-CB 3.3Å; S60-R213 PolarHBondContact O-N 2.9Å; S60-R213 VanDerWaalsContact O-N 3.13Å
61H98.4Very high95.6Very high28 Ų2838.5 Ų38.513%0.1321%0.206CC..EExtended strand (participates in β ladder)trans-143.9127.2178.7-173.8-161.5000111.2C59 T83 G84 C85 R213 T215C59-H61 VanDerWaalsContact C-N 3.32Å; C59-H61 PolarHBondContact O-N 2.91Å; C59-H61 PolarHBondContact SG-O 3.15Å; H61-T83 HydrophobicContact CB-CG2 4.14Å; H61-T83 WeakPolarHBondContact O-CG2 3.25Å; H61-G84 PolarHBondContact O-N 3.1Å; H61-C85 PolarHBondContact O-N 2.88Å; H61-C85 VanDerWaalsContact O-N 3.14Å; H61-R213 WeakPolarHBondContact CA-O 3.19Å; H61-R213 PolarHBondContact CD2-NE 3.45Å; H61-R213 PolarHBondContact CD2-O 3.22Å; H61-R213 PolarHBondContact CE1-NH2 2.82Å; H61-R213 PolarHBondContact ND1-NH2 2.81Å; H61-R213 PolarHBondContact NE2-NE 3.42Å; H61-T215 PolarHBondContact NE2-OG1 3.31Å
62C98.8Very high96.3Very high0 Ų034.1 Ų34.10%019%0.189CC..EExtended strand (participates in β ladder)trans-113.4135.4177.4-64.50000111.9C85 I87 C211 R213 I214 T215C62-C85 CarbonylContact C-O 3.19Å; C62-C85 WeakPolarHBondContact CA-O 3.46Å; C62-I87 HydrophobicContact CB-CD1 4.24Å; C62-C211 HydrophobicContact CB-CB 3.75Å; C62-C211 WeakPolarHBondContact CB-SG 3.41Å; C62-C211 WeakPolarHBondContact SG-CB 3.41Å; C62-C211 CovalentContact SG-SG 2.01Å; C62-C211 PolarHBondContact SG-SG 3.31Å; C62-R213 PolarHBondContact N-O 2.86Å; C62-I214 CarbonylContact O-C 3.6Å; C62-I214 WeakPolarHBondContact O-CA 3.39Å; C62-T215 PolarHBondContact O-N 3.28Å
63A98.9Very high97Very high0 Ų032.8 Ų32.80%020%0.195CC..EExtended strand (participates in β ladder)trans-100.5111.7165.400000108.3I80 T83 C85 V86 I87 T215 Y217A63-I80 HydrophobicContact CB-CG2 4.29Å; A63-T83 HydrophobicContact CB-CG2 3.84Å; A63-C85 PolarHBondContact N-O 3.41Å; A63-V86 HydrophobicContact CB-CG2 4.44Å; A63-V86 CarbonylContact O-C 3.52Å; A63-V86 WeakPolarHBondContact O-CA 3.34Å; A63-I87 PolarHBondContact O-N 3.44Å; A63-T215 CarbonylContact C-O 3.58Å; A63-T215 VanDerWaalsContact CA-O 3.3Å; A63-T215 WeakPolarHBondContact CA-O 3.3Å; A63-Y217 HydrophobicContact CB-CD2 4.21Å; A63-Y217 HydrophobicContact CB-CE2 3.78Å
64V98.9Very high97.3Very high0 Ų030.7 Ų30.70%018%0.184CC..EExtended strand (participates in β ladder)trans-92.8110.5171.9176.90000107.7I87 M89 T203 M204 A207 I214 T215 V216 Y217V64-I87 HydrophobicContact CG2-CB 4.35Å; V64-I87 HydrophobicContact CG2-CD1 4.19Å; V64-M89 HydrophobicContact CG1-CE 3.72Å; V64-T203 HydrophobicContact CG1-CG2 3.92Å; V64-M204 HydrophobicContact CG1-SD 4.46Å; V64-A207 HydrophobicContact CG2-CB 3.98Å; V64-I214 HydrophobicContact CG2-CG2 3.86Å; V64-T215 PolarHBondContact N-O 2.94Å; V64-V216 HydrophobicContact CB-CG1 4.46Å; V64-V216 HydrophobicContact CB-CG2 4.27Å; V64-V216 HydrophobicContact CG1-CG1 4.41Å; V64-V216 CarbonylContact O-C 3.52Å; V64-V216 WeakPolarHBondContact O-CA 3.44Å; V64-Y217 PolarHBondContact O-N 2.78Å
65V98.9Very high97.4Very high2 Ų230 Ų301%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-99109.1-179.2-170.90000108.8I80 V86 I87 R88 V101V65-I80 HydrophobicContact CG2-CD1 4.01Å; V65-I80 HydrophobicContact CG2-CG1 4.33Å; V65-I80 HydrophobicContact CG2-CG2 3.78Å; V65-V86 HydrophobicContact CG2-CG1 4.01Å; V65-I87 PolarHBondContact N-O 3.42Å; V65-R88 HydrophobicContact CB-CG 4.42Å; V65-V101 HydrophobicContact CG1-CB 4.26Å
66S98.3Very high97.6Very high8 Ų830 Ų306%0.05619%0.194CC..  trans-68.4160173.4140.30000111.1S68 Y217 G218S66-S68 VanDerWaalsContact C-N 3.27Å; S66-S68 PolarHBondContact O-N 2.67Å; S66-S68 WeakPolarHBondContact OG-CB 3.26Å; S66-S68 PolarHBondContact OG-N 2.92Å; S66-Y217 VanDerWaalsContact CB-O 3.31Å; S66-Y217 WeakPolarHBondContact CB-O 3.43Å; S66-Y217 PolarHBondContact N-O 2.74Å; S66-G218 WeakPolarHBondContact CB-O 3.33Å; S66-G218 PolarHBondContact OG-O 3.34Å
67S98.1Very high97.8Very high12 Ų1225.2 Ų25.28%0.08417%0.169CC..  trans-80-3.9177-64.90000114.1A92 H236 Y237S67-A92 WeakPolarHBondContact OG-CB 3.49Å; S67-H236 WeakPolarHBondContact CB-CD2 3.33Å; S67-H236 CarbonylContact O-C 3.26Å; S67-H236 WeakPolarHBondContact O-CA 3.03Å; S67-Y237 WeakPolarHBondContact O-CD1 3.48Å; S67-Y237 PolarHBondContact O-N 2.78Å
68S97.9Very high98Very high1 Ų129 Ų291%0.00719%0.187CC..  trans-57.4147.6-171.4177.80000114.8S66 Q70 M71 G218 Y235 Y237 E245S66-S68 VanDerWaalsContact C-N 3.27Å; S66-S68 PolarHBondContact O-N 2.67Å; S66-S68 WeakPolarHBondContact OG-CB 3.26Å; S66-S68 PolarHBondContact OG-N 2.92Å; S68-Q70 PolarHBondContact O-N 3.12Å; S68-Q70 WeakPolarHBondContact OG-CB 3.22Å; S68-Q70 VanDerWaalsContact OG-CG 3.25Å; S68-Q70 WeakPolarHBondContact OG-CG 3.34Å; S68-Q70 PolarHBondContact OG-N 3.06Å; S68-M71 PolarHBondContact O-N 2.93Å; S68-G218 WeakPolarHBondContact CB-O 3.39Å; S68-Y235 WeakPolarHBondContact CA-O 3.31Å; S68-Y237 WeakPolarHBondContact O-CD1 3.25Å; S68-E245 VanDerWaalsContact CB-OE1 3.31Å; S68-E245 WeakPolarHBondContact CB-OE1 3.33Å; S68-E245 VanDerWaalsContact OG-CD 3.25Å; S68-E245 PolarHBondContact OG-OE1 3.47Å
69G97.4Very high98.1Very high1 Ų126.9 Ų26.91%0.0118%0.178CC..G310 helixtrans-62.7-12.7168.200000115.1M71 L72 P234G69-M71 PolarHBondContact O-N 2.85Å; G69-M71 VanDerWaalsContact O-N 3.08Å; G69-L72 WeakPolarHBondContact O-CB 3.39Å; G69-L72 PolarHBondContact O-N 3.4Å; G69-P234 WeakPolarHBondContact CA-O 3.34Å; G69-P234 PolarHBondContact N-O 2.04Å
70Q97.4Very high98.2Very high25 Ų2526.4 Ų26.412%0.11718%0.175CC..G310 helixtrans-58.7-19.8171.6-62.9-65.7-21.900112.9S68 L72 I220 Y224 V233 E245 H282S68-Q70 PolarHBondContact O-N 3.12Å; S68-Q70 WeakPolarHBondContact OG-CB 3.22Å; S68-Q70 VanDerWaalsContact OG-CG 3.25Å; S68-Q70 WeakPolarHBondContact OG-CG 3.34Å; S68-Q70 PolarHBondContact OG-N 3.06Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-I220 HydrophobicContact CG-CG2 3.56Å; Q70-Y224 PolarHBondContact NE2-OH 3.17Å; Q70-V233 HydrophobicContact CG-CG2 4.07Å; Q70-V233 VanDerWaalsContact NE2-CG2 3.32Å; Q70-E245 PolarHBondContact NE2-OE2 2.91Å; Q70-H282 WeakPolarHBondContact CB-O 3.44Å
71M98.2Very high98.3Very high0 Ų024.1 Ų24.10%016%0.156CC..G310 helixtrans-74.6-19.3175.4-68.3-54.5-60.600113.6S68 G69 G73 A74 A76 I80 D100 V101 G218 Y237 H282S68-M71 PolarHBondContact O-N 2.93Å; G69-M71 PolarHBondContact O-N 2.85Å; G69-M71 VanDerWaalsContact O-N 3.08Å; M71-G73 PolarHBondContact O-N 2.96Å; M71-A74 HydrophobicContact CE-CB 4.09Å; M71-A74 WeakPolarHBondContact O-CB 3.29Å; M71-A74 PolarHBondContact O-N 2.89Å; M71-A74 HydrophobicContact SD-CB 4.49Å; M71-A76 HydrophobicContact CE-CB 4.22Å; M71-I80 HydrophobicContact CE-CD1 3.9Å; M71-D100 WeakPolarHBondContact CE-O 3.28Å; M71-D100 VanDerWaalsContact O-CB 3.23Å; M71-D100 WeakPolarHBondContact O-CB 3.07Å; M71-V101 HydrophobicContact CB-CG1 3.76Å; M71-V101 HydrophobicContact CE-CG1 4.04Å; M71-V101 HydrophobicContact CG-CG1 4.14Å; M71-G218 WeakPolarHBondContact SD-CA 3.44Å; M71-G218 PolarHBondContact SD-N 2.92Å; M71-Y237 HydrophobicContact CB-CD1 4.14Å; M71-Y237 HydrophobicContact CG-CD1 4.43Å; M71-H282 HydrophobicContact SD-CB 4.33Å
72L97.1Very high98.3Very high73 Ų7332.4 Ų32.438%0.38219%0.187SC..THydrogen-bonded Turntrans-63.8119.8-178.5-70.1170.6000110.8G69 Q70 A74 Y97 P234G69-L72 WeakPolarHBondContact O-CB 3.39Å; G69-L72 PolarHBondContact O-N 3.4Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; L72-A74 VanDerWaalsContact C-N 3.25Å; L72-A74 PolarHBondContact O-N 2.86Å; L72-Y97 HydrophobicContact CD2-CD1 4.14Å; L72-Y97 HydrophobicContact CD2-CE1 3.88Å; L72-P234 HydrophobicContact CD1-CG 4.09Å
73G97.2Very high98.2Very high67 Ų6732.7 Ų32.769%0.69119%0.188SC*.THydrogen-bonded Turntrans74.29.6-175.800000114.8M71 G75 D100M71-G73 PolarHBondContact O-N 2.96Å; G73-G75 VanDerWaalsContact C-N 3.25Å; G73-G75 PolarHBondContact O-N 2.89Å; G73-D100 VanDerWaalsContact C-OD1 3.28Å; G73-D100 VanDerWaalsContact CA-OD1 3.28Å; G73-D100 WeakPolarHBondContact CA-OD1 3.41Å; G73-D100 PolarHBondContact N-OD1 2.86Å; G73-D100 PolarHBondContact N-OD2 3.33Å
74A97.8Very high98Very high22 Ų2234.8 Ų34.818%0.18221%0.209CC..  trans-65.8-26-179.500000113.3M71 L72 A76 D100 H282M71-A74 HydrophobicContact CE-CB 4.09Å; M71-A74 WeakPolarHBondContact O-CB 3.29Å; M71-A74 PolarHBondContact O-N 2.89Å; M71-A74 HydrophobicContact SD-CB 4.49Å; L72-A74 VanDerWaalsContact C-N 3.25Å; L72-A74 PolarHBondContact O-N 2.86Å; A74-A76 HydrophobicContact CB-CB 4.41Å; A74-A76 PolarHBondContact O-N 3.33Å; A74-A76 VanDerWaalsContact O-N 3.13Å; A74-D100 PolarHBondContact N-OD1 3.16Å; A74-D100 VanDerWaalsContact N-OD1 3.16Å; A74-H282 HydrophobicContact CB-CB 4.19Å; A74-H282 PolarHBondContact O-CE1 2.77Å
75G98.4Very high98Very high44 Ų4435.5 Ų35.545%0.45422%0.215SC..  trans61.718.6-179.100000114.6G73 G77 K99 D100G73-G75 VanDerWaalsContact C-N 3.25Å; G73-G75 PolarHBondContact O-N 2.89Å; G75-G77 VanDerWaalsContact C-N 3.31Å; G75-G77 PolarHBondContact O-N 2.81Å; G75-K99 CarbonylContact C-O 3.5Å; G75-K99 VanDerWaalsContact C-O 3.25Å; G75-K99 WeakPolarHBondContact CA-O 3.34Å; G75-D100 PolarHBondContact N-OD1 2.81Å
76A98.6Very high98Very high4 Ų435.4 Ų35.43%0.03321%0.214CC..  trans-86.31.5-172.600000113.7M71 A74 D78 E79 I80 K99 D100 Y217M71-A76 HydrophobicContact CE-CB 4.22Å; A74-A76 HydrophobicContact CB-CB 4.41Å; A74-A76 PolarHBondContact O-N 3.33Å; A74-A76 VanDerWaalsContact O-N 3.13Å; A76-D78 PolarHBondContact O-N 3.2Å; A76-E79 WeakPolarHBondContact O-CB 3.42Å; A76-E79 PolarHBondContact O-N 2.82Å; A76-E79 VanDerWaalsContact O-N 3.09Å; A76-I80 HydrophobicContact CB-CD1 4.01Å; A76-I80 HydrophobicContact CB-CG1 4.44Å; A76-I80 WeakPolarHBondContact O-CG1 3.26Å; A76-I80 PolarHBondContact O-N 2.78Å; A76-K99 PolarHBondContact N-O 2.79Å; A76-D100 PolarHBondContact N-O 2.82Å; A76-Y217 HydrophobicContact CB-CD1 4.09Å; A76-Y217 HydrophobicContact CB-CE1 4.19Å
77G98.8Very high98Very high0 Ų035 Ų350%021%0.211CC..Hα-helixtrans-58.4-44.7-169.600000114.3G75 E79 I80 D81 E98 K99 D100 G102G75-G77 VanDerWaalsContact C-N 3.31Å; G75-G77 PolarHBondContact O-N 2.81Å; G77-E79 VanDerWaalsContact C-N 3.31Å; G77-E79 PolarHBondContact O-N 2.82Å; G77-I80 PolarHBondContact O-N 3.37Å; G77-D81 WeakPolarHBondContact O-CB 3.45Å; G77-D81 PolarHBondContact O-N 3.29Å; G77-E98 WeakPolarHBondContact CA-O 3.28Å; G77-K99 WeakPolarHBondContact CA-O 3.3Å; G77-K99 PolarHBondContact N-O 2.01Å; G77-D100 PolarHBondContact N-O 3.21Å; G77-G102 VanDerWaalsContact CA-N 3.28Å
78D98.6Very high98.1Very high116 Ų11634.5 Ų34.562%0.6221%0.207SC*.Hα-helixtrans-70.2-27.2179.1-69.5-15.5000112.9A76 R82A76-D78 PolarHBondContact O-N 3.2Å; D78-R82 WeakPolarHBondContact O-CG 3.49Å; D78-R82 PolarHBondContact O-N 2.95Å; D78-R82 PolarHBondContact O-NE 2.84Å
79E98.6Very high98.1Very high73 Ų7335 Ų3534%0.34121%0.21SC..Hα-helixtrans-73.3-47.9174.3-170.6-171.4157.100110.1A76 G77 D81 R82 T83 Y217 K281A76-E79 WeakPolarHBondContact O-CB 3.42Å; A76-E79 PolarHBondContact O-N 2.82Å; A76-E79 VanDerWaalsContact O-N 3.09Å; G77-E79 VanDerWaalsContact C-N 3.31Å; G77-E79 PolarHBondContact O-N 2.82Å; E79-D81 VanDerWaalsContact C-N 3.33Å; E79-D81 PolarHBondContact O-N 3.38Å; E79-R82 PolarHBondContact O-N 3.42Å; E79-T83 PolarHBondContact O-OG1 3.08Å; E79-Y217 VanDerWaalsContact CD-OH 3.23Å; E79-Y217 PolarHBondContact OE1-OH 3.21Å; E79-K281 VanDerWaalsContact CD-NZ 3.25Å; E79-K281 IonicContact OE1-NZ 3.45Å; E79-K281 PolarHBondContact OE1-NZ 3.23Å; E79-K281 IonicContact OE2-NZ 2.76Å; E79-K281 PolarHBondContact OE2-NZ 2.79Å; E79-K281 VanDerWaalsContact OE2-NZ 3.13Å
80I98.8Very high98.1Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-57-48.5177.2-69.7164.7000110A63 V65 M71 A76 G77 R82 T83 V86 Y217A63-I80 HydrophobicContact CB-CG2 4.29Å; V65-I80 HydrophobicContact CG2-CD1 4.01Å; V65-I80 HydrophobicContact CG2-CG1 4.33Å; V65-I80 HydrophobicContact CG2-CG2 3.78Å; M71-I80 HydrophobicContact CE-CD1 3.9Å; A76-I80 HydrophobicContact CB-CD1 4.01Å; A76-I80 HydrophobicContact CB-CG1 4.44Å; A76-I80 WeakPolarHBondContact O-CG1 3.26Å; A76-I80 PolarHBondContact O-N 2.78Å; G77-I80 PolarHBondContact O-N 3.37Å; I80-R82 PolarHBondContact O-N 3.32Å; I80-T83 VanDerWaalsContact O-CB 3.28Å; I80-T83 WeakPolarHBondContact O-CB 3.43Å; I80-T83 PolarHBondContact O-N 3.08Å; I80-T83 PolarHBondContact O-OG1 3.19Å; I80-V86 HydrophobicContact CG2-CG1 3.69Å; I80-V86 HydrophobicContact CG2-CG2 4.01Å; I80-V86 WeakPolarHBondContact O-CG2 3.03Å; I80-Y217 HydrophobicContact CD1-CD1 4.01Å; I80-Y217 HydrophobicContact CD1-CD2 4.41Å; I80-Y217 HydrophobicContact CD1-CE1 4.41Å; I80-Y217 HydrophobicContact CD1-CG 4.02Å; I80-Y217 HydrophobicContact CG1-CD1 3.92Å; I80-Y217 HydrophobicContact CG1-CD2 3.97Å; I80-Y217 HydrophobicContact CG1-CE1 3.86Å; I80-Y217 HydrophobicContact CG1-CE2 3.88Å; I80-Y217 HydrophobicContact CG1-CG 3.98Å
81D98.6Very high98.2Very high31 Ų3136.8 Ų36.817%0.16622%0.22CC..THydrogen-bonded Turntrans-69.5-14.2-176.8-78.9-7.6000113.7G77 E79 T83 K103 R104G77-D81 WeakPolarHBondContact O-CB 3.45Å; G77-D81 PolarHBondContact O-N 3.29Å; E79-D81 VanDerWaalsContact C-N 3.33Å; E79-D81 PolarHBondContact O-N 3.38Å; D81-T83 VanDerWaalsContact C-N 3.33Å; D81-K103 VanDerWaalsContact CG-N 3.3Å; D81-K103 PolarHBondContact OD1-N 3.36Å; D81-K103 WeakPolarHBondContact OD2-CB 3.32Å; D81-K103 PolarHBondContact OD2-N 3.17Å; D81-R104 HydrophobicContact CB-CG 4.26Å; D81-R104 WeakPolarHBondContact O-CD 3.25Å; D81-R104 PolarHBondContact O-NH1 3.29Å; D81-R104 VanDerWaalsContact OD1-CB 3.31Å; D81-R104 WeakPolarHBondContact OD1-CB 3.16Å; D81-R104 PolarHBondContact OD1-N 3.38Å
82R98.1Very high98.1Very high202 Ų20236.9 Ų36.976%0.76222%0.22SC*.THydrogen-bonded Turntrans-81.9-12170.7-80.5-178.5-106.8-160-6.4113.6D78 E79 I80D78-R82 WeakPolarHBondContact O-CG 3.49Å; D78-R82 PolarHBondContact O-N 2.95Å; D78-R82 PolarHBondContact O-NE 2.84Å; E79-R82 PolarHBondContact O-N 3.42Å; I80-R82 PolarHBondContact O-N 3.32Å
83T98Very high98.1Very high6 Ų634.7 Ų34.74%0.03721%0.21CC..SBendtrans-75.7145.1-179.4-53.30000110.9H61 A63 E79 I80 D81 C85 R104H61-T83 HydrophobicContact CB-CG2 4.14Å; H61-T83 WeakPolarHBondContact O-CG2 3.25Å; A63-T83 HydrophobicContact CB-CG2 3.84Å; E79-T83 PolarHBondContact O-OG1 3.08Å; I80-T83 VanDerWaalsContact O-CB 3.28Å; I80-T83 WeakPolarHBondContact O-CB 3.43Å; I80-T83 PolarHBondContact O-N 3.08Å; I80-T83 PolarHBondContact O-OG1 3.19Å; D81-T83 VanDerWaalsContact C-N 3.33Å; T83-C85 PolarHBondContact O-N 3.15Å; T83-R104 PolarHBondContact O-NH1 2.8Å
84G94.7Very high98.2Very high43 Ų4332 Ų3244%0.44318%0.181SC..SBendtrans-58.1-48.4-177.500000112.1H61H61-G84 PolarHBondContact O-N 3.1Å
85C98.4Very high98.1Very high16 Ų1639 Ų3911%0.10820%0.202CC..EExtended strand (participates in β ladder)trans-120.5132.8175.6-59.40000111.7C59 H61 C62 A63 T83 T106C59-C85 HydrophobicContact CB-CB 3.94Å; C59-C85 WeakPolarHBondContact CB-SG 3.39Å; C59-C85 WeakPolarHBondContact SG-CB 3.41Å; C59-C85 PolarHBondContact SG-N 3.13Å; C59-C85 CovalentContact SG-SG 2.04Å; C59-C85 PolarHBondContact SG-SG 3.31Å; H61-C85 PolarHBondContact O-N 2.88Å; H61-C85 VanDerWaalsContact O-N 3.14Å; C62-C85 CarbonylContact C-O 3.19Å; C62-C85 WeakPolarHBondContact CA-O 3.46Å; A63-C85 PolarHBondContact N-O 3.41Å; T83-C85 PolarHBondContact O-N 3.15Å; C85-T106 VanDerWaalsContact CA-OG1 3.3Å; C85-T106 WeakPolarHBondContact CA-OG1 3.5Å
86V98.9Very high98Very high0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-115.8111.4173.8-1760000108.8A63 V65 I80 R88 R104 T106 M107A63-V86 HydrophobicContact CB-CG2 4.44Å; A63-V86 CarbonylContact O-C 3.52Å; A63-V86 WeakPolarHBondContact O-CA 3.34Å; V65-V86 HydrophobicContact CG2-CG1 4.01Å; I80-V86 HydrophobicContact CG2-CG1 3.69Å; I80-V86 HydrophobicContact CG2-CG2 4.01Å; I80-V86 WeakPolarHBondContact O-CG2 3.03Å; V86-R88 HydrophobicContact CG1-CG 4.38Å; V86-R104 WeakPolarHBondContact CG1-O 3.07Å; V86-R104 HydrophobicContact CG2-CB 4.26Å; V86-T106 PolarHBondContact N-OG1 2.77Å; V86-T106 PolarHBondContact O-N 3.16Å; V86-T106 PolarHBondContact O-OG1 3.46Å; V86-T106 VanDerWaalsContact O-OG1 3.13Å; V86-M107 PolarHBondContact O-N 3.09Å
87I98.9Very high97.9Very high0 Ų042.7 Ų42.70%022%0.221CC..EExtended strand (participates in β ladder)trans-100.5123.2-178.4-48.2176.5000108.8C62 A63 V64 V65 M107 V109 T203 A207 M210C62-I87 HydrophobicContact CB-CD1 4.24Å; A63-I87 PolarHBondContact O-N 3.44Å; V64-I87 HydrophobicContact CG2-CB 4.35Å; V64-I87 HydrophobicContact CG2-CD1 4.19Å; V65-I87 PolarHBondContact N-O 3.42Å; I87-M107 WeakPolarHBondContact CA-O 3.25Å; I87-M107 HydrophobicContact CG1-CB 4.31Å; I87-M107 HydrophobicContact CG2-CB 4.38Å; I87-V109 HydrophobicContact CG2-CG2 4.12Å; I87-T203 HydrophobicContact CG2-CG2 3.6Å; I87-A207 HydrophobicContact CD1-CB 4.02Å; I87-M210 HydrophobicContact CD1-SD 4.25Å
88R98.8Very high97.9Very high1 Ų145.7 Ų45.70%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-119.5166.7176.5-60.4-171.4-170.5-92.7-5.3111.2V65 V86 V101 G102 R104 T105 M107 R108 V109V65-R88 HydrophobicContact CB-CG 4.42Å; V86-R88 HydrophobicContact CG1-CG 4.38Å; R88-V101 VanDerWaalsContact CZ-O 3.23Å; R88-V101 PolarHBondContact NH1-O 3Å; R88-V101 PolarHBondContact NH2-O 3.45Å; R88-G102 PolarHBondContact NH2-O 2.91Å; R88-R104 PolarHBondContact NE-O 3.46Å; R88-R104 PolarHBondContact NH2-O 2.9Å; R88-T105 HydrophobicContact CB-CG2 4.21Å; R88-T105 VanDerWaalsContact CD-OG1 3.26Å; R88-T105 WeakPolarHBondContact CD-OG1 3.48Å; R88-T105 HydrophobicContact CG-CG2 4.13Å; R88-T105 PolarHBondContact NE-OG1 3.31Å; R88-T105 VanDerWaalsContact NE-OG1 3.12Å; R88-M107 PolarHBondContact N-O 3Å; R88-R108 CarbonylContact O-C 3.54Å; R88-R108 VanDerWaalsContact O-CA 3.26Å; R88-R108 WeakPolarHBondContact O-CA 3.37Å; R88-V109 PolarHBondContact O-N 3.45Å
89M98.7Very high97.9Very high12 Ų1248.1 Ų48.16%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-120.4145-176.8-61.6173.5-129.900111.9V64 N91 A92 R108 V109 T199 G200 T203V64-M89 HydrophobicContact CG1-CE 3.72Å; M89-N91 PolarHBondContact O-N 3.34Å; M89-A92 VanDerWaalsContact O-CB 3.25Å; M89-A92 WeakPolarHBondContact O-CB 3.14Å; M89-A92 PolarHBondContact O-N 2.86Å; M89-R108 PolarHBondContact O-NH1 3.18Å; M89-V109 CarbonylContact C-O 3.57Å; M89-V109 VanDerWaalsContact CA-O 3.28Å; M89-V109 WeakPolarHBondContact CA-O 3.35Å; M89-T199 HydrophobicContact CB-CG2 3.96Å; M89-T199 HydrophobicContact CG-CG2 4.01Å; M89-T199 HydrophobicContact SD-CG2 4.36Å; M89-G200 VanDerWaalsContact SD-CA 3.58Å; M89-T203 HydrophobicContact CE-CG2 4.09Å; M89-T203 HydrophobicContact CG-CG2 4.36Å
90N98.6Very high97.9Very high27 Ų2745.6 Ų45.614%0.14423%0.23CC..THydrogen-bonded Turntrans48.9-136.2169.2-62.1-35.9000112.7A92 R108 V109 S111 S114 T199N90-A92 VanDerWaalsContact C-N 3.33Å; N90-R108 VanDerWaalsContact O-CD 3.29Å; N90-R108 WeakPolarHBondContact O-CD 3.16Å; N90-R108 PolarHBondContact O-NH1 2.98Å; N90-V109 PolarHBondContact N-O 3.44Å; N90-S111 PolarHBondContact OD1-N 2.83Å; N90-S114 WeakPolarHBondContact CB-OG 3.44Å; N90-S114 PolarHBondContact OD1-OG 3.37Å; N90-T199 PolarHBondContact ND2-OG1 3.14Å; N90-T199 PolarHBondContact OD1-OG1 2.04Å
91N97.6Very high97.9Very high36 Ų3645.7 Ų45.719%0.19323%0.23CC..THydrogen-bonded Turntrans-92.620.8-179.267.7-53.2000113.6M89 P93 L117 L118 Y125 Y238M89-N91 PolarHBondContact O-N 3.34Å; N91-P93 VanDerWaalsContact O-CD 3.25Å; N91-P93 WeakPolarHBondContact O-CD 3.44Å; N91-P93 VanDerWaalsContact O-N 3.16Å; N91-L117 HydrophobicContact CB-CB 4.03Å; N91-L117 HydrophobicContact CB-CD1 4.35Å; N91-L118 HydrophobicContact CB-CD1 3.99Å; N91-Y125 VanDerWaalsContact C-OH 3.31Å; N91-Y125 VanDerWaalsContact CA-OH 3.32Å; N91-Y125 WeakPolarHBondContact CA-OH 3.47Å; N91-Y125 PolarHBondContact O-OH 3.09Å; N91-Y238 PolarHBondContact OD1-OH 2.81Å
92A98Very high97.9Very high1 Ų144.2 Ų44.21%0.00822%0.222CC..  trans-64.6113.4-179.900000110.6S67 M89 N90 R108 Y237 Y238S67-A92 WeakPolarHBondContact OG-CB 3.49Å; M89-A92 VanDerWaalsContact O-CB 3.25Å; M89-A92 WeakPolarHBondContact O-CB 3.14Å; M89-A92 PolarHBondContact O-N 2.86Å; N90-A92 VanDerWaalsContact C-N 3.33Å; A92-R108 PolarHBondContact O-NH1 3.46Å; A92-R108 PolarHBondContact O-NH2 2.54Å; A92-Y237 WeakPolarHBondContact CB-OH 3.37Å; A92-Y238 VanDerWaalsContact CA-CE1 3.5Å; A92-Y238 HydrophobicContact CB-CD1 4.2Å; A92-Y238 HydrophobicContact CB-CE1 3.53Å
93P96.9Very high97.9Very high27 Ų2741.4 Ų41.418%0.17522%0.215CC..  trans-82.3159.7-173.734.7-33.7000111.5N91 Y97 Y237 Y238N91-P93 VanDerWaalsContact O-CD 3.25Å; N91-P93 WeakPolarHBondContact O-CD 3.44Å; N91-P93 VanDerWaalsContact O-N 3.16Å; P93-Y97 HydrophobicContact CG-CD2 4.24Å; P93-Y97 HydrophobicContact CG-CE2 4.25Å; P93-Y237 HydrophobicContact CG-CE2 4.44Å; P93-Y237 WeakPolarHBondContact O-CE2 3.28Å; P93-Y237 PolarHBondContact O-OH 3.26Å; P93-Y238 VanDerWaalsContact CD-CD1 3.45Å; P93-Y238 HydrophobicContact CG-CD1 4.43Å; P93-Y238 HydrophobicContact CG-CD2 4.43Å; P93-Y238 HydrophobicContact CG-CG 3.91Å
94T97.4Very high97.9Very high12 Ų1246 Ų467%0.07423%0.232CC..  trans-101.6-30.5166.753.60000111.9G96 Y97 E98 G102 Y124T94-G96 PolarHBondContact O-N 2.97Å; T94-Y97 CarbonylContact O-C 3.39Å; T94-Y97 PolarHBondContact O-N 3.46Å; T94-E98 VanDerWaalsContact O-CD 3.28Å; T94-E98 PolarHBondContact O-N 3.13Å; T94-G102 VanDerWaalsContact CB-O 3.31Å; T94-G102 WeakPolarHBondContact CB-O 3.28Å; T94-G102 VanDerWaalsContact CG2-O 3.3Å; T94-G102 WeakPolarHBondContact CG2-O 3.23Å; T94-Y124 PolarHBondContact N-OH 3.28Å; T94-Y124 PolarHBondContact OG1-OH 3.24Å
95R95.8Very high98.1Very high167 Ų16745.2 Ų45.263%0.6322%0.218SC*.THydrogen-bonded Turntrans-60.7125.7-179-174.6179.8-76.5-173.6-2.9111.4Y97 E98R95-Y97 VanDerWaalsContact C-N 3.29Å; R95-Y97 WeakPolarHBondContact O-CD2 2.99Å; R95-E98 VanDerWaalsContact CA-OE1 3.32Å; R95-E98 WeakPolarHBondContact CA-OE1 3.37Å
96G96.5Very high98.1Very high61 Ų6146.5 Ų46.563%0.62923%0.226SC*.THydrogen-bonded Turntrans85.4-4.6-176.900000114.3T94 E98T94-G96 PolarHBondContact O-N 2.97Å; G96-E98 VanDerWaalsContact CA-OE2 3.29Å; G96-E98 WeakPolarHBondContact CA-OE2 3.45Å; G96-E98 PolarHBondContact N-OE1 3.42Å; G96-E98 PolarHBondContact N-OE2 2.94Å
97Y98.2Very high98.1Very high65 Ų6546.7 Ų46.726%0.25523%0.227SC..  trans-128.19.9-177.7-60.5-80.8000112.3L72 P93 T94 R95 K99 D100 V101 Y237 Y238L72-Y97 HydrophobicContact CD2-CD1 4.14Å; L72-Y97 HydrophobicContact CD2-CE1 3.88Å; P93-Y97 HydrophobicContact CG-CD2 4.24Å; P93-Y97 HydrophobicContact CG-CE2 4.25Å; T94-Y97 CarbonylContact O-C 3.39Å; T94-Y97 PolarHBondContact O-N 3.46Å; R95-Y97 VanDerWaalsContact C-N 3.29Å; R95-Y97 WeakPolarHBondContact O-CD2 2.99Å; Y97-K99 VanDerWaalsContact C-N 3.26Å; Y97-K99 PolarHBondContact O-N 3.43Å; Y97-K99 VanDerWaalsContact O-N 3.15Å; Y97-D100 PolarHBondContact O-N 3.01Å; Y97-V101 WeakPolarHBondContact O-CG2 3.21Å; Y97-V101 PolarHBondContact O-N 3.34Å; Y97-Y237 AromaticContact CD1-CD2 3.75Å; Y97-Y237 HydrophobicContact CD1-CD2 3.75Å; Y97-Y237 HydrophobicContact CD1-CE2 4.45Å; Y97-Y237 HydrophobicContact CD2-CD2 4.04Å; Y97-Y237 HydrophobicContact CD2-CE2 4.05Å; Y97-Y237 HydrophobicContact CE1-CD2 4.1Å; Y97-Y237 WeakPolarHBondContact CE1-O 2.96Å; Y97-Y237 HydrophobicContact CE2-CD2 4.37Å; Y97-Y237 AromaticContact CG-CD2 3.74Å; Y97-Y237 HydrophobicContact CG-CD2 3.74Å; Y97-Y237 AromaticContact CG-CE2 3.97Å; Y97-Y237 HydrophobicContact CG-CE2 3.97Å; Y97-Y237 VanDerWaalsContact CZ-O 3.32Å; Y97-Y237 PolarHBondContact OH-O 3.49Å; Y97-Y238 WeakPolarHBondContact OH-CA 3.47Å
98E98.6Very high98.1Very high63 Ų6346.9 Ų46.929%0.29423%0.228SC..Hα-helixtrans-56.2-38.8-168.8-66.687.6160.100113.1G77 T94 R95 G96 D100 G102 K103G77-E98 WeakPolarHBondContact CA-O 3.28Å; T94-E98 VanDerWaalsContact O-CD 3.28Å; T94-E98 PolarHBondContact O-N 3.13Å; R95-E98 VanDerWaalsContact CA-OE1 3.32Å; R95-E98 WeakPolarHBondContact CA-OE1 3.37Å; G96-E98 VanDerWaalsContact CA-OE2 3.29Å; G96-E98 WeakPolarHBondContact CA-OE2 3.45Å; G96-E98 PolarHBondContact N-OE1 3.42Å; G96-E98 PolarHBondContact N-OE2 2.94Å; E98-D100 PolarHBondContact O-N 3.13Å; E98-G102 WeakPolarHBondContact O-CA 3.04Å; E98-G102 PolarHBondContact O-N 3.18Å; E98-K103 HydrophobicContact CB-CD 4.4Å; E98-K103 HydrophobicContact CB-CG 3.76Å; E98-K103 HydrophobicContact CG-CD 4.12Å; E98-K103 HydrophobicContact CG-CG 3.36Å
99K98.7Very high98.1Very high167 Ų16746.9 Ų46.973%0.72623%0.228SC*.Hα-helixtrans-59-36.8177.7-177.4-178.8177.6-175.70112G75 A76 G77 Y97G75-K99 CarbonylContact C-O 3.5Å; G75-K99 VanDerWaalsContact C-O 3.25Å; G75-K99 WeakPolarHBondContact CA-O 3.34Å; A76-K99 PolarHBondContact N-O 2.79Å; G77-K99 WeakPolarHBondContact CA-O 3.3Å; G77-K99 PolarHBondContact N-O 2.01Å; Y97-K99 VanDerWaalsContact C-N 3.26Å; Y97-K99 PolarHBondContact O-N 3.43Å; Y97-K99 VanDerWaalsContact O-N 3.15Å
100D98.8Very high98.1Very high21 Ų2146.3 Ų46.311%0.11223%0.225CC..Hα-helixtrans-93.9-44.1-172.3-73.4-24.7000112M71 G73 A74 G75 A76 G77 Y97 E98M71-D100 WeakPolarHBondContact CE-O 3.28Å; M71-D100 VanDerWaalsContact O-CB 3.23Å; M71-D100 WeakPolarHBondContact O-CB 3.07Å; G73-D100 VanDerWaalsContact C-OD1 3.28Å; G73-D100 VanDerWaalsContact CA-OD1 3.28Å; G73-D100 WeakPolarHBondContact CA-OD1 3.41Å; G73-D100 PolarHBondContact N-OD1 2.86Å; G73-D100 PolarHBondContact N-OD2 3.33Å; A74-D100 PolarHBondContact N-OD1 3.16Å; A74-D100 VanDerWaalsContact N-OD1 3.16Å; G75-D100 PolarHBondContact N-OD1 2.81Å; A76-D100 PolarHBondContact N-O 2.82Å; G77-D100 PolarHBondContact N-O 3.21Å; Y97-D100 PolarHBondContact O-N 3.01Å; E98-D100 PolarHBondContact O-N 3.13Å
101V98.8Very high98.1Very high1 Ų145.3 Ų45.31%0.00622%0.22CC..Hα-helixtrans-112.3-4.7-171-52.40000114V65 M71 R88 Y97 Y237V65-V101 HydrophobicContact CG1-CB 4.26Å; M71-V101 HydrophobicContact CB-CG1 3.76Å; M71-V101 HydrophobicContact CE-CG1 4.04Å; M71-V101 HydrophobicContact CG-CG1 4.14Å; R88-V101 VanDerWaalsContact CZ-O 3.23Å; R88-V101 PolarHBondContact NH1-O 3Å; R88-V101 PolarHBondContact NH2-O 3.45Å; Y97-V101 WeakPolarHBondContact O-CG2 3.21Å; Y97-V101 PolarHBondContact O-N 3.34Å; V101-Y237 HydrophobicContact CG1-CD1 4.2Å; V101-Y237 HydrophobicContact CG1-CD2 4.41Å; V101-Y237 HydrophobicContact CG1-CE1 3.97Å; V101-Y237 HydrophobicContact CG1-CE2 4.21Å; V101-Y237 HydrophobicContact CG1-CG 4.43Å; V101-Y237 HydrophobicContact CG2-CE2 4.35Å
102G98.6Very high98.1Very high0 Ų044.8 Ų44.80%022%0.217CC..  trans80.4170.3-17700000113.4G77 R88 T94 E98G77-G102 VanDerWaalsContact CA-N 3.28Å; R88-G102 PolarHBondContact NH2-O 2.91Å; T94-G102 VanDerWaalsContact CB-O 3.31Å; T94-G102 WeakPolarHBondContact CB-O 3.28Å; T94-G102 VanDerWaalsContact CG2-O 3.3Å; T94-G102 WeakPolarHBondContact CG2-O 3.23Å; E98-G102 WeakPolarHBondContact O-CA 3.04Å; E98-G102 PolarHBondContact O-N 3.18Å
103K97.8Very high98Very high144 Ų14449 Ų4963%0.62624%0.243SC*.SBendtrans-98.8-30.1-179.2-69.4170-173.3173.80112.6D81 E98D81-K103 VanDerWaalsContact CG-N 3.3Å; D81-K103 PolarHBondContact OD1-N 3.36Å; D81-K103 WeakPolarHBondContact OD2-CB 3.32Å; D81-K103 PolarHBondContact OD2-N 3.17Å; E98-K103 HydrophobicContact CB-CD 4.4Å; E98-K103 HydrophobicContact CB-CG 3.76Å; E98-K103 HydrophobicContact CG-CD 4.12Å; E98-K103 HydrophobicContact CG-CG 3.36Å
104R97.5Very high98.1Very high102 Ų10248.3 Ų48.339%0.38524%0.238SC..  trans-79.2146.7-170.4-64.5177.867.5-140.2-7.6111.5D81 T83 V86 R88D81-R104 HydrophobicContact CB-CG 4.26Å; D81-R104 WeakPolarHBondContact O-CD 3.25Å; D81-R104 PolarHBondContact O-NH1 3.29Å; D81-R104 VanDerWaalsContact OD1-CB 3.31Å; D81-R104 WeakPolarHBondContact OD1-CB 3.16Å; D81-R104 PolarHBondContact OD1-N 3.38Å; T83-R104 PolarHBondContact O-NH1 2.8Å; V86-R104 WeakPolarHBondContact CG1-O 3.07Å; V86-R104 HydrophobicContact CG2-CB 4.26Å; R88-R104 PolarHBondContact NE-O 3.46Å; R88-R104 PolarHBondContact NH2-O 2.9Å
105T98.4Very high98.1Very high26 Ų2647.9 Ų47.916%0.1624%0.235CC..  trans-142.2118166.9-53.60000106.6R88 M107 R108 T132R88-T105 HydrophobicContact CB-CG2 4.21Å; R88-T105 VanDerWaalsContact CD-OG1 3.26Å; R88-T105 WeakPolarHBondContact CD-OG1 3.48Å; R88-T105 HydrophobicContact CG-CG2 4.13Å; R88-T105 PolarHBondContact NE-OG1 3.31Å; R88-T105 VanDerWaalsContact NE-OG1 3.12Å; T105-M107 WeakPolarHBondContact CG2-O 3.43Å; T105-R108 HydrophobicContact CG2-CB 4.37Å; T105-T132 HydrophobicContact CG2-CG2 3.87Å; T105-T132 PolarHBondContact O-OG1 2.74Å
106T98.2Very high98.3Very high43 Ų4343 Ų4326%0.26423%0.225SC..SBendtrans-94.1-35.7170.9500000110.9C85 V86 T133C85-T106 VanDerWaalsContact CA-OG1 3.3Å; C85-T106 WeakPolarHBondContact CA-OG1 3.5Å; V86-T106 PolarHBondContact N-OG1 2.77Å; V86-T106 PolarHBondContact O-N 3.16Å; V86-T106 PolarHBondContact O-OG1 3.46Å; V86-T106 VanDerWaalsContact O-OG1 3.13Å; T106-T133 PolarHBondContact O-N 2.88Å
107M98.5Very high98.3Very high5 Ų543.4 Ų43.43%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-136.5144.8-179.8-170.4178-71.100111.7L55 V57 V86 I87 R88 T105 T133 V135 L206 M210L55-M107 HydrophobicContact CD2-CE 4.08Å; V57-M107 HydrophobicContact CG1-CE 4.08Å; V86-M107 PolarHBondContact O-N 3.09Å; I87-M107 WeakPolarHBondContact CA-O 3.25Å; I87-M107 HydrophobicContact CG1-CB 4.31Å; I87-M107 HydrophobicContact CG2-CB 4.38Å; R88-M107 PolarHBondContact N-O 3Å; T105-M107 WeakPolarHBondContact CG2-O 3.43Å; M107-T133 CarbonylContact C-O 3.58Å; M107-T133 WeakPolarHBondContact CA-O 3.27Å; M107-T133 HydrophobicContact CE-CG2 4.27Å; M107-T133 WeakPolarHBondContact CG-O 3.46Å; M107-V135 HydrophobicContact CG-CG2 4.39Å; M107-V135 HydrophobicContact SD-CG2 4.18Å; M107-L206 HydrophobicContact SD-CD2 3.48Å; M107-L206 WeakPolarHBondContact SD-CD2 3.45Å; M107-L206 HydrophobicContact SD-CG 4.2Å; M107-M210 HydrophobicContact CE-CE 3.69Å; M107-M210 HydrophobicContact CE-SD 3.6Å; M107-M210 HydrophobicContact SD-SD 3.88Å
108R98.8Very high98.3Very high3 Ų340.3 Ų40.31%0.01120%0.201CC..EExtended strand (participates in β ladder)trans-132.3118.1175.6-170172.9-77.7-87.40.4111.5R88 M89 N90 A92 T105 V110 T132 T133 Y134 V135R88-R108 CarbonylContact O-C 3.54Å; R88-R108 VanDerWaalsContact O-CA 3.26Å; R88-R108 WeakPolarHBondContact O-CA 3.37Å; M89-R108 PolarHBondContact O-NH1 3.18Å; N90-R108 VanDerWaalsContact O-CD 3.29Å; N90-R108 WeakPolarHBondContact O-CD 3.16Å; N90-R108 PolarHBondContact O-NH1 2.98Å; A92-R108 PolarHBondContact O-NH1 3.46Å; A92-R108 PolarHBondContact O-NH2 2.54Å; T105-R108 HydrophobicContact CG2-CB 4.37Å; R108-V110 HydrophobicContact CB-CG2 4.49Å; R108-V110 HydrophobicContact CG-CG2 3.74Å; R108-T132 HydrophobicContact CB-CG2 3.95Å; R108-T133 PolarHBondContact N-O 2.94Å; R108-Y134 HydrophobicContact CB-CD1 4.07Å; R108-Y134 HydrophobicContact CB-CE1 4.16Å; R108-Y134 HydrophobicContact CG-CE1 4.49Å; R108-Y134 WeakPolarHBondContact O-CA 3.48Å; R108-V135 PolarHBondContact O-N 2.89Å
109V98.9Very high98.3Very high1 Ų139.8 Ų39.81%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-92.7126.2175.7-171.70000108.8I87 R88 M89 N90 V135 T199 F202 T203 L206I87-V109 HydrophobicContact CG2-CG2 4.12Å; R88-V109 PolarHBondContact O-N 3.45Å; M89-V109 CarbonylContact C-O 3.57Å; M89-V109 VanDerWaalsContact CA-O 3.28Å; M89-V109 WeakPolarHBondContact CA-O 3.35Å; N90-V109 PolarHBondContact N-O 3.44Å; V109-V135 CarbonylContact C-O 3.52Å; V109-V135 WeakPolarHBondContact CA-O 3.34Å; V109-T199 HydrophobicContact CB-CG2 4.2Å; V109-T199 HydrophobicContact CG1-CG2 3.95Å; V109-T199 WeakPolarHBondContact O-CG2 3.34Å; V109-F202 HydrophobicContact CG1-CB 4.47Å; V109-T203 WeakPolarHBondContact CB-OG1 3.28Å; V109-T203 HydrophobicContact CG2-CG2 4.09Å; V109-L206 HydrophobicContact CG2-CD2 3.99Å
110V98.8Very high98.2Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-130.8122.4-167.2-175.70000110.6R108 V115 L118 Y134 V135 F136 W137R108-V110 HydrophobicContact CB-CG2 4.49Å; R108-V110 HydrophobicContact CG-CG2 3.74Å; V110-V115 HydrophobicContact CG1-CG2 4.17Å; V110-L118 HydrophobicContact CG1-CD1 4.13Å; V110-L118 HydrophobicContact CG1-CD2 4.15Å; V110-L118 HydrophobicContact CG2-CD2 3.87Å; V110-Y134 HydrophobicContact CG2-CD1 4.39Å; V110-V135 PolarHBondContact N-O 3.48Å; V110-F136 HydrophobicContact CB-CD1 3.56Å; V110-F136 HydrophobicContact CB-CE1 3.74Å; V110-F136 HydrophobicContact CB-CG 4.49Å; V110-F136 HydrophobicContact CG1-CD1 3.78Å; V110-F136 HydrophobicContact CG1-CE1 3.8Å; V110-F136 HydrophobicContact CG2-CD1 4.29Å; V110-F136 HydrophobicContact CG2-CE1 4.03Å; V110-F136 CarbonylContact O-C 3.59Å; V110-F136 VanDerWaalsContact O-CA 3.3Å; V110-F136 WeakPolarHBondContact O-CA 3.13Å; V110-W137 PolarHBondContact O-N 3.36Å
111S98.4Very high98.1Very high6 Ų641.9 Ų41.94%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-65.6143.4167174.20000110.3N90 T113 S114 V115 W137N90-S111 PolarHBondContact OD1-N 2.83Å; S111-T113 PolarHBondContact O-N 2.84Å; S111-T113 PolarHBondContact OG-N 3.45Å; S111-T113 PolarHBondContact OG-OG1 3.41Å; S111-S114 WeakPolarHBondContact O-CA 3.39Å; S111-S114 PolarHBondContact O-N 2.91Å; S111-V115 PolarHBondContact O-N 3.35Å; S111-W137 CarbonylContact C-O 3.53Å
112H98Very high98Very high26 Ų2643.9 Ų43.912%0.1223%0.225CC..G310 helixtrans-50.9-31.7171.678.2-68.8000113S114 V115 W137 P139 N142 M143 I151H112-S114 VanDerWaalsContact C-N 3.3Å; H112-S114 PolarHBondContact O-N 2.86Å; H112-V115 PolarHBondContact O-N 2.76Å; H112-W137 WeakPolarHBondContact CB-O 3.11Å; H112-W137 PolarHBondContact N-O 3.44Å; H112-P139 WeakPolarHBondContact CE1-CD 3.36Å; H112-P139 VanDerWaalsContact ND1-CD 3.31Å; H112-P139 WeakPolarHBondContact ND1-CD 3.33Å; H112-P139 WeakPolarHBondContact NE2-CD 3.33Å; H112-N142 PolarHBondContact CD2-ND2 2.84Å; H112-N142 PolarHBondContact NE2-ND2 2.83Å; H112-N142 VanDerWaalsContact NE2-ND2 3.13Å; H112-M143 HydrophobicContact CB-SD 4.04Å; H112-I151 HydrophobicContact CB-CB 4.4Å; H112-I151 HydrophobicContact CB-CG1 4.2Å; H112-I151 HydrophobicContact CB-CG2 4.01Å
113T97.1Very high97.8Very high90 Ų9047.5 Ų47.555%0.55224%0.242SC*.G310 helixtrans-70-23.8176.354.40000113.5S111S111-T113 PolarHBondContact O-N 2.84Å; S111-T113 PolarHBondContact OG-N 3.45Å; S111-T113 PolarHBondContact OG-OG1 3.41Å
114S98.1Very high97.7Very high12 Ų1241.8 Ų41.88%0.08422%0.216CC..G310 helixtrans-92.2-8.2177.3-61.50000113.1N90 S111 H112 L117 L118N90-S114 WeakPolarHBondContact CB-OG 3.44Å; N90-S114 PolarHBondContact OD1-OG 3.37Å; S111-S114 WeakPolarHBondContact O-CA 3.39Å; S111-S114 PolarHBondContact O-N 2.91Å; H112-S114 VanDerWaalsContact C-N 3.3Å; H112-S114 PolarHBondContact O-N 2.86Å; S114-L117 WeakPolarHBondContact O-CB 3.43Å; S114-L117 PolarHBondContact O-N 3.43Å; S114-L118 VanDerWaalsContact O-CD1 3.25Å; S114-L118 WeakPolarHBondContact O-CD1 3.25Å; S114-L118 PolarHBondContact O-N 3.46Å
115V98.5Very high97.7Very high2 Ų237.4 Ų37.41%0.01220%0.2CC..Hα-helixtrans-57.1-44.9178173.70000112.4V110 S111 H112 L117 L118 V119 F136 I151 V154 L155V110-V115 HydrophobicContact CG1-CG2 4.17Å; S111-V115 PolarHBondContact O-N 3.35Å; H112-V115 PolarHBondContact O-N 2.76Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 2.84Å; V115-L118 PolarHBondContact O-N 3.06Å; V115-L118 VanDerWaalsContact O-N 3.08Å; V115-V119 HydrophobicContact CG1-CG2 4.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.42Å; V115-V119 PolarHBondContact O-N 2.76Å; V115-F136 HydrophobicContact CG2-CD1 3.69Å; V115-F136 HydrophobicContact CG2-CE1 3.97Å; V115-I151 HydrophobicContact CB-CG2 4.04Å; V115-I151 HydrophobicContact CG1-CG2 4.16Å; V115-I151 HydrophobicContact CG2-CG2 3.78Å; V115-V154 HydrophobicContact CG1-CG1 4.2Å; V115-L155 HydrophobicContact CG1-CD2 3.85Å; V115-L155 HydrophobicContact CG1-CG 4.44Å; V115-L155 HydrophobicContact CG2-CD2 4.02Å
116P98.3Very high97.6Very high64 Ų6436.3 Ų36.342%0.41619%0.193SC..Hα-helixtrans-55.3-41175.8-27.136.6000113.4L118 V119 E120P116-L118 VanDerWaalsContact C-N 3.31Å; P116-L118 PolarHBondContact O-N 3.23Å; P116-V119 WeakPolarHBondContact O-CB 3.49Å; P116-V119 PolarHBondContact O-N 3.12Å; P116-V119 VanDerWaalsContact O-N 3.1Å; P116-E120 WeakPolarHBondContact O-CG 3.47Å; P116-E120 PolarHBondContact O-N 3.05Å
117L97.5Very high97.4Very high70 Ų7040.8 Ų40.837%0.36621%0.209SC..Hα-helixtrans-66.4-32.1178.6-56.3174.7000112.7N91 S114 V115N91-L117 HydrophobicContact CB-CB 4.03Å; N91-L117 HydrophobicContact CB-CD1 4.35Å; S114-L117 WeakPolarHBondContact O-CB 3.43Å; S114-L117 PolarHBondContact O-N 3.43Å; V115-L117 VanDerWaalsContact C-N 3.28Å; V115-L117 PolarHBondContact O-N 2.84Å
118L98Very high97.2Very high1 Ų146.1 Ų46.11%0.00523%0.234CC..Hα-helixtrans-73.1-34.4173.2-87.373000111.5N91 V110 S114 V115 P116 N121 E122 Y125 F126 Y134 F136N91-L118 HydrophobicContact CB-CD1 3.99Å; V110-L118 HydrophobicContact CG1-CD1 4.13Å; V110-L118 HydrophobicContact CG1-CD2 4.15Å; V110-L118 HydrophobicContact CG2-CD2 3.87Å; S114-L118 VanDerWaalsContact O-CD1 3.25Å; S114-L118 WeakPolarHBondContact O-CD1 3.25Å; S114-L118 PolarHBondContact O-N 3.46Å; V115-L118 PolarHBondContact O-N 3.06Å; V115-L118 VanDerWaalsContact O-N 3.08Å; P116-L118 VanDerWaalsContact C-N 3.31Å; P116-L118 PolarHBondContact O-N 3.23Å; L118-N121 CarbonylContact O-C 3.52Å; L118-N121 PolarHBondContact O-N 3.24Å; L118-E122 WeakPolarHBondContact O-CA 3.3Å; L118-E122 PolarHBondContact O-N 3.14Å; L118-E122 VanDerWaalsContact O-N 3.07Å; L118-Y125 HydrophobicContact CB-CD2 4.01Å; L118-Y125 HydrophobicContact CB-CE2 4.41Å; L118-Y125 HydrophobicContact CB-CG 4.37Å; L118-Y125 HydrophobicContact CD2-CD1 4.33Å; L118-Y125 HydrophobicContact CD2-CG 4.28Å; L118-Y125 HydrophobicContact CG-CD1 4.11Å; L118-Y125 HydrophobicContact CG-CD2 3.78Å; L118-Y125 HydrophobicContact CG-CE1 4.27Å; L118-Y125 HydrophobicContact CG-CE2 3.97Å; L118-Y125 HydrophobicContact CG-CG 3.87Å; L118-F126 HydrophobicContact CB-CE2 4.21Å; L118-F126 HydrophobicContact CB-CZ 4.02Å; L118-F126 HydrophobicContact CD2-CE1 4.47Å; L118-F126 HydrophobicContact CD2-CZ 4.01Å; L118-Y134 HydrophobicContact CD2-CD1 4.2Å; L118-Y134 HydrophobicContact CD2-CE1 4.01Å; L118-F136 HydrophobicContact CD2-CE1 4.42Å
119V98Very high97Very high51 Ų5147.3 Ų47.331%0.30924%0.243SC..Hα-helixtrans-66.9-42.3176.6171.80000111V115 P116 N121 E122 V154 L158V115-V119 HydrophobicContact CG1-CG2 4.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.42Å; V115-V119 PolarHBondContact O-N 2.76Å; P116-V119 WeakPolarHBondContact O-CB 3.49Å; P116-V119 PolarHBondContact O-N 3.12Å; P116-V119 VanDerWaalsContact O-N 3.1Å; V119-N121 PolarHBondContact O-N 3.45Å; V119-N121 VanDerWaalsContact O-N 3.14Å; V119-E122 WeakPolarHBondContact O-CB 3.3Å; V119-E122 WeakPolarHBondContact O-CG 3.25Å; V119-E122 PolarHBondContact O-N 2.75Å; V119-E122 VanDerWaalsContact O-N 3.1Å; V119-V154 HydrophobicContact CG2-CG1 3.86Å; V119-L158 HydrophobicContact CG2-CD1 3.92Å
120E97.6Very high96.8Very high154 Ų15448.1 Ų48.172%0.7225%0.249SC*.Hα-helixtrans-54.7-31.8175.6-75.2171.7-170.700112.5P116P116-E120 WeakPolarHBondContact O-CG 3.47Å; P116-E120 PolarHBondContact O-N 3.05Å
121N96Very high96.6Very high79 Ų7955.3 Ų55.342%0.42229%0.288SS..THydrogen-bonded Turntrans-12145.9175.4-161.2-7.3000112.4L118 V119 Q123 Y124 Y125L118-N121 CarbonylContact O-C 3.52Å; L118-N121 PolarHBondContact O-N 3.24Å; V119-N121 PolarHBondContact O-N 3.45Å; V119-N121 VanDerWaalsContact O-N 3.14Å; N121-Q123 PolarHBondContact O-N 3.06Å; N121-Q123 VanDerWaalsContact O-N 3.13Å; N121-Y124 PolarHBondContact O-N 2.76Å; N121-Y124 VanDerWaalsContact O-N 3.13Å; N121-Y124 WeakPolarHBondContact OD1-CB 3.49Å; N121-Y124 PolarHBondContact OD1-N 2.96Å; N121-Y125 HydrophobicContact CB-CD2 4.16Å; N121-Y125 HydrophobicContact CB-CE2 4.04Å; N121-Y125 VanDerWaalsContact O-CD2 3.28Å; N121-Y125 WeakPolarHBondContact O-CD2 3.48Å; N121-Y125 PolarHBondContact O-N 2.73Å
122E96.3Very high96.5Very high42 Ų4255.3 Ų55.320%0.19629%0.287CS..Hα-helixtrans-58.5-28.6-175.855.3157.3-146.400113.7L118 V119 F126 K161 Y162L118-E122 WeakPolarHBondContact O-CA 3.3Å; L118-E122 PolarHBondContact O-N 3.14Å; L118-E122 VanDerWaalsContact O-N 3.07Å; V119-E122 WeakPolarHBondContact O-CB 3.3Å; V119-E122 WeakPolarHBondContact O-CG 3.25Å; V119-E122 PolarHBondContact O-N 2.75Å; V119-E122 VanDerWaalsContact O-N 3.1Å; E122-F126 HydrophobicContact CB-CD2 3.87Å; E122-F126 HydrophobicContact CB-CE2 4.41Å; E122-F126 WeakPolarHBondContact O-CA 3.36Å; E122-F126 WeakPolarHBondContact O-CB 3.14Å; E122-F126 PolarHBondContact O-N 3.17Å; E122-K161 IonicContact OE1-NZ 2.64Å; E122-K161 PolarHBondContact OE1-NZ 3.44Å; E122-K161 IonicContact OE2-NZ 2.76Å; E122-K161 PolarHBondContact OE2-NZ 2.84Å; E122-Y162 HydrophobicContact CB-CE2 4.32Å; E122-Y162 PolarHBondContact OE1-OH 3.34Å; E122-Y162 PolarHBondContact OE2-OH 2.73Å; E122-Y162 VanDerWaalsContact OE2-OH 3.06Å
123Q95.4Very high96.5Very high77 Ų7755.2 Ų55.236%0.3629%0.289SS..Iπ-helixtrans-66.8-43178.4-65.9-61.7-48.200111.3N121 K127 Q128 Y162N121-Q123 PolarHBondContact O-N 3.06Å; N121-Q123 VanDerWaalsContact O-N 3.13Å; Q123-K127 VanDerWaalsContact O-CB 3.3Å; Q123-K127 WeakPolarHBondContact O-CB 2.98Å; Q123-K127 PolarHBondContact O-N 2.62Å; Q123-Q128 WeakPolarHBondContact O-CG 3.32Å; Q123-Q128 PolarHBondContact O-N 2.86Å; Q123-Y162 PolarHBondContact NE2-OH 3.2Å
124Y95.6Very high96.6Very high23 Ų2351 Ų519%0.0926%0.263CS..Iπ-helixtrans-67.5-49.8176.9170.8-106.7000111.4T94 N121 S129T94-Y124 PolarHBondContact N-OH 3.28Å; T94-Y124 PolarHBondContact OG1-OH 3.24Å; N121-Y124 PolarHBondContact O-N 2.76Å; N121-Y124 VanDerWaalsContact O-N 3.13Å; N121-Y124 WeakPolarHBondContact OD1-CB 3.49Å; N121-Y124 PolarHBondContact OD1-N 2.96Å; Y124-S129 PolarHBondContact O-N 3.33Å; Y124-S129 VanDerWaalsContact O-N 3.11Å; Y124-S129 PolarHBondContact O-OG 2.93Å
125Y96.8Very high96.6Very high11 Ų1150.4 Ų50.44%0.04326%0.259CS..Iπ-helixtrans-71.9-54-175.9-68-69.6000111.3N91 L118 N121 S129 Y134N91-Y125 VanDerWaalsContact C-OH 3.31Å; N91-Y125 VanDerWaalsContact CA-OH 3.32Å; N91-Y125 WeakPolarHBondContact CA-OH 3.47Å; N91-Y125 PolarHBondContact O-OH 3.09Å; L118-Y125 HydrophobicContact CB-CD2 4.01Å; L118-Y125 HydrophobicContact CB-CE2 4.41Å; L118-Y125 HydrophobicContact CB-CG 4.37Å; L118-Y125 HydrophobicContact CD2-CD1 4.33Å; L118-Y125 HydrophobicContact CD2-CG 4.28Å; L118-Y125 HydrophobicContact CG-CD1 4.11Å; L118-Y125 HydrophobicContact CG-CD2 3.78Å; L118-Y125 HydrophobicContact CG-CE1 4.27Å; L118-Y125 HydrophobicContact CG-CE2 3.97Å; L118-Y125 HydrophobicContact CG-CG 3.87Å; N121-Y125 HydrophobicContact CB-CD2 4.16Å; N121-Y125 HydrophobicContact CB-CE2 4.04Å; N121-Y125 VanDerWaalsContact O-CD2 3.28Å; N121-Y125 WeakPolarHBondContact O-CD2 3.48Å; N121-Y125 PolarHBondContact O-N 2.73Å; Y125-S129 CarbonylContact O-C 3.49Å; Y125-S129 VanDerWaalsContact O-CB 3.23Å; Y125-S129 WeakPolarHBondContact O-CB 3.1Å; Y125-Y134 VanDerWaalsContact C-OH 3.3Å; Y125-Y134 PolarHBondContact O-OH 2.87Å
126F96.4Very high96.6Very high3 Ų350.3 Ų50.31%0.01326%0.258CS..Iπ-helixtrans-100.3-12.7-166.5-51.5-63.2000115.2L118 E122 Y134 F136 L158 Y162 S165 M167L118-F126 HydrophobicContact CB-CE2 4.21Å; L118-F126 HydrophobicContact CB-CZ 4.02Å; L118-F126 HydrophobicContact CD2-CE1 4.47Å; L118-F126 HydrophobicContact CD2-CZ 4.01Å; E122-F126 HydrophobicContact CB-CD2 3.87Å; E122-F126 HydrophobicContact CB-CE2 4.41Å; E122-F126 WeakPolarHBondContact O-CA 3.36Å; E122-F126 WeakPolarHBondContact O-CB 3.14Å; E122-F126 PolarHBondContact O-N 3.17Å; F126-Y134 HydrophobicContact CD1-CD2 4.37Å; F126-Y134 HydrophobicContact CD1-CE1 4.27Å; F126-Y134 AromaticContact CD1-CE2 3.95Å; F126-Y134 HydrophobicContact CD1-CE2 3.95Å; F126-Y134 AromaticContact CD1-CZ 3.94Å; F126-Y134 AromaticContact CE1-CD1 3.96Å; F126-Y134 HydrophobicContact CE1-CD1 3.96Å; F126-Y134 HydrophobicContact CE1-CD2 4.28Å; F126-Y134 AromaticContact CE1-CE1 3.78Å; F126-Y134 HydrophobicContact CE1-CE1 3.78Å; F126-Y134 HydrophobicContact CE1-CE2 4.14Å; F126-Y134 HydrophobicContact CE1-CG 4.23Å; F126-Y134 AromaticContact CE1-CZ 3.93Å; F126-F136 HydrophobicContact CE1-CZ 4.28Å; F126-F136 HydrophobicContact CZ-CZ 4.43Å; F126-L158 HydrophobicContact CD2-CD1 4.47Å; F126-L158 HydrophobicContact CD2-CD2 4.1Å; F126-L158 HydrophobicContact CE2-CD1 3.74Å; F126-L158 HydrophobicContact CE2-CD2 4.1Å; F126-L158 HydrophobicContact CZ-CD1 3.9Å; F126-Y162 HydrophobicContact CB-CD1 3.73Å; F126-Y162 HydrophobicContact CB-CD2 3.38Å; F126-Y162 HydrophobicContact CB-CE1 4.03Å; F126-Y162 HydrophobicContact CB-CE2 3.69Å; F126-Y162 HydrophobicContact CB-CG 3.4Å; F126-Y162 VanDerWaalsContact CB-CG 3.4Å; F126-Y162 HydrophobicContact CD2-CD2 4.27Å; F126-Y162 HydrophobicContact CD2-CE2 4.15Å; F126-Y162 HydrophobicContact CG-CD2 4.02Å; F126-Y162 HydrophobicContact CG-CE2 4.28Å; F126-Y162 HydrophobicContact CG-CG 4.42Å; F126-Y162 WeakPolarHBondContact O-CD1 3.49Å; F126-S165 PolarHBondContact O-OG 3.1Å; F126-M167 HydrophobicContact CD1-CE 3.4Å; F126-M167 VanDerWaalsContact CD1-CE 3.4Å; F126-M167 HydrophobicContact CE1-CE 3.7Å; F126-M167 HydrophobicContact CG-CE 4.07Å
127K94.7Very high96.6Very high136 Ų13648.1 Ų48.159%0.59124%0.242SC*.Iπ-helixtrans-105.3-55.5174.9-170.5-177.4-178.6179.80112.6Q123 A130 Y162Q123-K127 VanDerWaalsContact O-CB 3.3Å; Q123-K127 WeakPolarHBondContact O-CB 2.98Å; Q123-K127 PolarHBondContact O-N 2.62Å; K127-A130 WeakPolarHBondContact O-CB 3.44Å; K127-A130 PolarHBondContact O-N 3.32Å; K127-Y162 HydrophobicContact CB-CE1 4.1Å
128Q94.6Very high96.6Very high118 Ų11845.1 Ų45.155%0.55123%0.228SC*.Iπ-helixtrans-70.1-37.5-179.8-63.7171.327.800111Q123Q123-Q128 WeakPolarHBondContact O-CG 3.32Å; Q123-Q128 PolarHBondContact O-N 2.86Å
129S94.2Very high96.4Very high28 Ų2847.3 Ų47.320%0.19624%0.242CC..THydrogen-bonded Turntrans-98.834.7177.3-39.30000112.7Y124 Y125 N131 T132Y124-S129 PolarHBondContact O-N 3.33Å; Y124-S129 VanDerWaalsContact O-N 3.11Å; Y124-S129 PolarHBondContact O-OG 2.93Å; Y125-S129 CarbonylContact O-C 3.49Å; Y125-S129 VanDerWaalsContact O-CB 3.23Å; Y125-S129 WeakPolarHBondContact O-CB 3.1Å; S129-N131 PolarHBondContact O-N 2.69Å; S129-T132 VanDerWaalsContact O-CB 3.23Å; S129-T132 WeakPolarHBondContact O-CB 3.36Å; S129-T132 PolarHBondContact O-N 3.13Å; S129-T132 PolarHBondContact O-OG1 2.59Å; S129-T132 VanDerWaalsContact O-OG1 3.13Å
130A94.1Very high96.2Very high18 Ų1851 Ų5115%0.14925%0.254CS..THydrogen-bonded Turntrans-57.2-21.6-173.800000115.2K127 T132 K164 S165K127-A130 WeakPolarHBondContact O-CB 3.44Å; K127-A130 PolarHBondContact O-N 3.32Å; A130-T132 VanDerWaalsContact C-N 3.32Å; A130-K164 HydrophobicContact CB-CB 4.19Å; A130-K164 CarbonylContact O-C 3.59Å; A130-S165 WeakPolarHBondContact O-CA 3.47Å
131N94.4Very high96.1Very high150 Ų15053.2 Ų53.280%0.80226%0.256SS*.THydrogen-bonded Turntrans-86.3-0.7176.7-64.8-19.1000113.4S129S129-N131 PolarHBondContact O-N 2.69Å
132T96.9Very high96.2Very high6 Ų651.2 Ų51.24%0.03725%0.245CC..PPolyproline II helixtrans-77.2134177.1-60.10000110.1T105 R108 S129 A130 Y134T105-T132 HydrophobicContact CG2-CG2 3.87Å; T105-T132 PolarHBondContact O-OG1 2.74Å; R108-T132 HydrophobicContact CB-CG2 3.95Å; S129-T132 VanDerWaalsContact O-CB 3.23Å; S129-T132 WeakPolarHBondContact O-CB 3.36Å; S129-T132 PolarHBondContact O-N 3.13Å; S129-T132 PolarHBondContact O-OG1 2.59Å; S129-T132 VanDerWaalsContact O-OG1 3.13Å; A130-T132 VanDerWaalsContact C-N 3.32Å; T132-Y134 HydrophobicContact CG2-CD2 4.22Å; T132-Y134 HydrophobicContact CG2-CE1 4.27Å; T132-Y134 HydrophobicContact CG2-CE2 3.76Å; T132-Y134 VanDerWaalsContact O-CD2 3.29Å; T132-Y134 WeakPolarHBondContact O-CD2 3.46Å; T132-Y134 VanDerWaalsContact O-CE2 3.31Å; T132-Y134 WeakPolarHBondContact O-CE2 2.96Å
133T98.1Very high96.2Very high25 Ų2550.2 Ų50.215%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-86.2124.9167.4-65.10000110L55 T106 M107 R108 N166 Y168L55-T133 HydrophobicContact CD1-CG2 4.02Å; T106-T133 PolarHBondContact O-N 2.88Å; M107-T133 CarbonylContact C-O 3.58Å; M107-T133 WeakPolarHBondContact CA-O 3.27Å; M107-T133 HydrophobicContact CE-CG2 4.27Å; M107-T133 WeakPolarHBondContact CG-O 3.46Å; R108-T133 PolarHBondContact N-O 2.94Å; T133-N166 CarbonylContact C-O 3.55Å; T133-N166 WeakPolarHBondContact CA-O 3.46Å; T133-N166 HydrophobicContact CG2-CB 4.3Å; T133-Y168 HydrophobicContact CG2-CD2 3.83Å; T133-Y168 HydrophobicContact CG2-CE2 3.85Å
134Y98.7Very high96.1Very high0 Ų051.8 Ų51.80%024%0.243CC..EExtended strand (participates in β ladder)trans-103.5131.6179.3-64.7-96.6000110.7R108 V110 L118 Y125 F126 T132 F136 N166 Y168R108-Y134 HydrophobicContact CB-CD1 4.07Å; R108-Y134 HydrophobicContact CB-CE1 4.16Å; R108-Y134 HydrophobicContact CG-CE1 4.49Å; R108-Y134 WeakPolarHBondContact O-CA 3.48Å; V110-Y134 HydrophobicContact CG2-CD1 4.39Å; L118-Y134 HydrophobicContact CD2-CD1 4.2Å; L118-Y134 HydrophobicContact CD2-CE1 4.01Å; Y125-Y134 VanDerWaalsContact C-OH 3.3Å; Y125-Y134 PolarHBondContact O-OH 2.87Å; F126-Y134 HydrophobicContact CD1-CD2 4.37Å; F126-Y134 HydrophobicContact CD1-CE1 4.27Å; F126-Y134 AromaticContact CD1-CE2 3.95Å; F126-Y134 HydrophobicContact CD1-CE2 3.95Å; F126-Y134 AromaticContact CD1-CZ 3.94Å; F126-Y134 AromaticContact CE1-CD1 3.96Å; F126-Y134 HydrophobicContact CE1-CD1 3.96Å; F126-Y134 HydrophobicContact CE1-CD2 4.28Å; F126-Y134 AromaticContact CE1-CE1 3.78Å; F126-Y134 HydrophobicContact CE1-CE1 3.78Å; F126-Y134 HydrophobicContact CE1-CE2 4.14Å; F126-Y134 HydrophobicContact CE1-CG 4.23Å; F126-Y134 AromaticContact CE1-CZ 3.93Å; T132-Y134 HydrophobicContact CG2-CD2 4.22Å; T132-Y134 HydrophobicContact CG2-CE1 4.27Å; T132-Y134 HydrophobicContact CG2-CE2 3.76Å; T132-Y134 VanDerWaalsContact O-CD2 3.29Å; T132-Y134 WeakPolarHBondContact O-CD2 3.46Å; T132-Y134 VanDerWaalsContact O-CE2 3.31Å; T132-Y134 WeakPolarHBondContact O-CE2 2.96Å; Y134-F136 HydrophobicContact CD1-CZ 4.02Å; Y134-F136 HydrophobicContact CG-CE2 4.23Å; Y134-F136 HydrophobicContact CG-CZ 4.08Å; Y134-N166 PolarHBondContact N-O 2.86Å; Y134-Y168 PolarHBondContact O-N 2.86Å
135V98.8Very high95.9Very high1 Ų156.4 Ų56.41%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-120.9107.2174.6-177.70000108.7Y43 L55 M107 R108 V109 V110 V170 L206Y43-V135 HydrophobicContact CD1-CG1 3.72Å; Y43-V135 HydrophobicContact CE1-CG1 4.28Å; L55-V135 HydrophobicContact CD2-CG2 4.23Å; M107-V135 HydrophobicContact CG-CG2 4.39Å; M107-V135 HydrophobicContact SD-CG2 4.18Å; R108-V135 PolarHBondContact O-N 2.89Å; V109-V135 CarbonylContact C-O 3.52Å; V109-V135 WeakPolarHBondContact CA-O 3.34Å; V110-V135 PolarHBondContact N-O 3.48Å; V135-V170 HydrophobicContact CG1-CG2 3.79Å; V135-L206 HydrophobicContact CB-CD2 4.29Å; V135-L206 HydrophobicContact CG1-CD2 4.26Å; V135-L206 HydrophobicContact CG2-CD2 3.97Å
136F98.8Very high95.7Very high0 Ų060 Ų600%029%0.286CS..EExtended strand (participates in β ladder)trans-95137-177-61.1-84.1000111.2I46 V110 V115 L118 F126 Y134 M143 L155 M167 Y168 V169 V170I46-F136 HydrophobicContact CD1-CD2 4.02Å; V110-F136 HydrophobicContact CB-CD1 3.56Å; V110-F136 HydrophobicContact CB-CE1 3.74Å; V110-F136 HydrophobicContact CB-CG 4.49Å; V110-F136 HydrophobicContact CG1-CD1 3.78Å; V110-F136 HydrophobicContact CG1-CE1 3.8Å; V110-F136 HydrophobicContact CG2-CD1 4.29Å; V110-F136 HydrophobicContact CG2-CE1 4.03Å; V110-F136 CarbonylContact O-C 3.59Å; V110-F136 VanDerWaalsContact O-CA 3.3Å; V110-F136 WeakPolarHBondContact O-CA 3.13Å; V115-F136 HydrophobicContact CG2-CD1 3.69Å; V115-F136 HydrophobicContact CG2-CE1 3.97Å; L118-F136 HydrophobicContact CD2-CE1 4.42Å; F126-F136 HydrophobicContact CE1-CZ 4.28Å; F126-F136 HydrophobicContact CZ-CZ 4.43Å; Y134-F136 HydrophobicContact CD1-CZ 4.02Å; Y134-F136 HydrophobicContact CG-CE2 4.23Å; Y134-F136 HydrophobicContact CG-CZ 4.08Å; F136-M143 HydrophobicContact CB-CE 4.17Å; F136-L155 HydrophobicContact CB-CD1 3.67Å; F136-L155 HydrophobicContact CD1-CD1 4.06Å; F136-L155 HydrophobicContact CD1-CD2 3.59Å; F136-L155 HydrophobicContact CD1-CG 4.49Å; F136-L155 HydrophobicContact CD2-CD1 3.98Å; F136-L155 HydrophobicContact CD2-CD2 3.84Å; F136-L155 HydrophobicContact CD2-CG 4.49Å; F136-L155 HydrophobicContact CE1-CD2 3.48Å; F136-L155 VanDerWaalsContact CE1-CD2 3.48Å; F136-L155 HydrophobicContact CE2-CD2 3.72Å; F136-L155 HydrophobicContact CG-CD1 3.63Å; F136-L155 HydrophobicContact CG-CD2 3.78Å; F136-L155 HydrophobicContact CG-CG 4.37Å; F136-L155 HydrophobicContact CZ-CD2 3.55Å; F136-M167 HydrophobicContact CE2-CB 4.09Å; F136-M167 HydrophobicContact CE2-CG 4.13Å; F136-M167 HydrophobicContact CE2-SD 4.21Å; F136-Y168 WeakPolarHBondContact CD2-O 3.41Å; F136-Y168 PolarHBondContact N-O 3.21Å; F136-V169 HydrophobicContact CB-CG1 4.32Å; F136-V169 CarbonylContact O-C 3.25Å; F136-V169 VanDerWaalsContact O-CA 3.3Å; F136-V169 WeakPolarHBondContact O-CA 3.48Å; F136-V170 PolarHBondContact O-N 3.39Å
137W98.4Very high95.5Very high18 Ų1861.9 Ų61.97%0.06831%0.306CS..EExtended strand (participates in β ladder)trans-132.6150.9177.578.6-88.2000111.1V110 S111 H112 V170 I175 L197 T199 F202V110-W137 PolarHBondContact O-N 3.36Å; S111-W137 CarbonylContact C-O 3.53Å; H112-W137 WeakPolarHBondContact CB-O 3.11Å; H112-W137 PolarHBondContact N-O 3.44Å; W137-V170 HydrophobicContact CB-CB 3.98Å; W137-V170 HydrophobicContact CB-CG2 3.63Å; W137-I175 HydrophobicContact CB-CD1 4.34Å; W137-I175 HydrophobicContact CE3-CD1 4.37Å; W137-L197 VanDerWaalsContact CH2-O 3.3Å; W137-L197 WeakPolarHBondContact CH2-O 3.31Å; W137-T199 PolarHBondContact NE1-OG1 2.93Å; W137-T199 VanDerWaalsContact NE1-OG1 3.1Å; W137-F202 AromaticContact CD2-CD2 3.48Å; W137-F202 HydrophobicContact CD2-CD2 3.48Å; W137-F202 VanDerWaalsContact CD2-CD2 3.48Å; W137-F202 AromaticContact CD2-CE2 3.5Å; W137-F202 HydrophobicContact CD2-CE2 3.5Å; W137-F202 VanDerWaalsContact CD2-CE2 3.5Å; W137-F202 HydrophobicContact CD2-CG 4.14Å; W137-F202 HydrophobicContact CD2-CZ 4.13Å; W137-F202 AromaticContact CE2-CD2 3.51Å; W137-F202 AromaticContact CE2-CE2 3.73Å; W137-F202 AromaticContact CE3-CD2 3.78Å; W137-F202 HydrophobicContact CE3-CD2 3.78Å; W137-F202 HydrophobicContact CE3-CE1 4.37Å; W137-F202 AromaticContact CE3-CE2 3.24Å; W137-F202 HydrophobicContact CE3-CE2 3.24Å; W137-F202 AromaticContact CE3-CZ 3.58Å; W137-F202 HydrophobicContact CE3-CZ 3.58Å; W137-F202 AromaticContact CG-CD2 3.96Å; W137-F202 HydrophobicContact CG-CD2 3.96Å; W137-F202 HydrophobicContact CG-CE2 4.34Å; W137-F202 HydrophobicContact CG-CG 4.17Å; W137-F202 HydrophobicContact CH2-CD2 4.11Å; W137-F202 AromaticContact CH2-CE2 3.52Å; W137-F202 HydrophobicContact CH2-CE2 3.52Å; W137-F202 HydrophobicContact CH2-CZ 4.43Å; W137-F202 AromaticContact CZ2-CD2 3.84Å; W137-F202 HydrophobicContact CZ2-CD2 3.84Å; W137-F202 AromaticContact CZ2-CE2 3.75Å; W137-F202 HydrophobicContact CZ2-CE2 3.75Å; W137-F202 HydrophobicContact CZ3-CD2 4.09Å; W137-F202 AromaticContact CZ3-CE2 3.26Å; W137-F202 HydrophobicContact CZ3-CE2 3.26Å; W137-F202 AromaticContact CZ3-CZ 3.76Å; W137-F202 HydrophobicContact CZ3-CZ 3.76Å; W137-F202 AromaticContact NE1-CD2 3.95Å
138G96.8Very high95.6Very high7 Ų762 Ų627%0.07231%0.308CS..  trans-179.6173178.200000113.2
139P94.6Very high95.7Very high47 Ų4756.4 Ų56.431%0.30528%0.282SS..  trans-66.2149177.829.9-34.7000110.4H112 R141 N142 M143H112-P139 WeakPolarHBondContact CE1-CD 3.36Å; H112-P139 VanDerWaalsContact ND1-CD 3.31Å; H112-P139 WeakPolarHBondContact ND1-CD 3.33Å; H112-P139 WeakPolarHBondContact NE2-CD 3.33Å; P139-R141 PolarHBondContact O-N 2.9Å; P139-R141 VanDerWaalsContact O-N 3.1Å; P139-N142 HydrophobicContact CG-CB 4.29Å; P139-N142 PolarHBondContact O-N 3.13Å; P139-M143 PolarHBondContact O-N 2.76Å
140K94.1Very high95.9Very high127 Ų12760.5 Ų60.555%0.55230%0.301SS*.Hα-helixtrans-45.6-48.4-179.2-178.6174.4-175.4153.80112.1N142 M143 R144 E172K140-N142 PolarHBondContact O-N 2.8Å; K140-N142 VanDerWaalsContact O-N 3.14Å; K140-M143 CarbonylContact O-C 3.47Å; K140-M143 PolarHBondContact O-N 2.82Å; K140-R144 HydrophobicContact CG-CG 4.38Å; K140-R144 WeakPolarHBondContact O-CG 3.28Å; K140-R144 PolarHBondContact O-N 2.82Å; K140-E172 WeakPolarHBondContact CD-OE2 3.31Å; K140-E172 WeakPolarHBondContact CE-OE2 3.21Å; K140-E172 IonicContact NZ-OE1 2.7Å; K140-E172 PolarHBondContact NZ-OE1 2.75Å; K140-E172 IonicContact NZ-OE2 3.04Å; K140-E172 PolarHBondContact NZ-OE2 3.13Å
141R95.1Very high96Very high202 Ų20260.7 Ų60.776%0.76230%0.299SS*.Hα-helixtrans-48.5-42.6-179.7-177.9179.7173.5-173.3-1.7113.5P139P139-R141 PolarHBondContact O-N 2.9Å; P139-R141 VanDerWaalsContact O-N 3.1Å
142N96.8Very high96.2Very high36 Ų3654.1 Ų54.119%0.19326%0.263CS..Hα-helixtrans-89.7-19.1-175.9-68.5-25.7000113H112 P139 K140 G149 I151 F152H112-N142 PolarHBondContact CD2-ND2 2.84Å; H112-N142 PolarHBondContact NE2-ND2 2.83Å; H112-N142 VanDerWaalsContact NE2-ND2 3.13Å; P139-N142 HydrophobicContact CG-CB 4.29Å; P139-N142 PolarHBondContact O-N 3.13Å; K140-N142 PolarHBondContact O-N 2.8Å; K140-N142 VanDerWaalsContact O-N 3.14Å; N142-G149 CarbonylContact O-C 3.49Å; N142-I151 HydrophobicContact CB-CB 4.33Å; N142-I151 HydrophobicContact CB-CG1 4Å; N142-I151 WeakPolarHBondContact O-CB 3.17Å; N142-I151 PolarHBondContact O-N 3.2Å; N142-I151 VanDerWaalsContact O-N 3.1Å; N142-F152 PolarHBondContact O-N 3.02Å; N142-F152 VanDerWaalsContact O-N 3.15Å
143M96.3Very high96.2Very high21 Ų2156.1 Ų56.110%0.10327%0.274CS..Hα-helixtrans-110.410.6-171.5-59.2-59.6-69.900113.7H112 F136 P139 K140 I151 L155 V169H112-M143 HydrophobicContact CB-SD 4.04Å; F136-M143 HydrophobicContact CB-CE 4.17Å; P139-M143 PolarHBondContact O-N 2.76Å; K140-M143 CarbonylContact O-C 3.47Å; K140-M143 PolarHBondContact O-N 2.82Å; M143-I151 HydrophobicContact SD-CB 4.06Å; M143-I151 HydrophobicContact SD-CG2 3.82Å; M143-L155 HydrophobicContact CE-CD1 3.81Å; M143-L155 HydrophobicContact SD-CD1 4.49Å; M143-V169 HydrophobicContact CE-CB 4.2Å; M143-V169 HydrophobicContact CE-CG1 3.53Å
144R94.1Very high96.2Very high111 Ų11157.3 Ų57.342%0.41928%0.281SS..  trans-62.4143.8178.7-49.7179.159.6160.7-4110.9K140 D146 G149 F152K140-R144 HydrophobicContact CG-CG 4.38Å; K140-R144 WeakPolarHBondContact O-CG 3.28Å; K140-R144 PolarHBondContact O-N 2.82Å; R144-D146 WeakPolarHBondContact CB-OD1 3.39Å; R144-D146 IonicContact CZ-OD2 2.63Å; R144-D146 IonicContact NE-OD1 3.44Å; R144-D146 PolarHBondContact NE-OD1 2.91Å; R144-D146 IonicContact NE-OD2 3.58Å; R144-D146 PolarHBondContact NE-OD2 3.14Å; R144-D146 IonicContact NH2-OD2 2.75Å; R144-D146 PolarHBondContact NH2-OD2 3.16Å; R144-G149 WeakPolarHBondContact O-CA 2.96Å; R144-F152 WeakPolarHBondContact O-CB 3.31Å
145Q92.2Very high96.2Very high120 Ų12057.3 Ų57.356%0.56128%0.281SS*.THydrogen-bonded Turntrans-103.39.8-178.1-51.7-169.71.900113.3G147 F152Q145-G147 VanDerWaalsContact C-N 3.31Å; Q145-F152 HydrophobicContact CB-CD1 4.22Å; Q145-F152 HydrophobicContact CB-CE1 3.83Å; Q145-F152 HydrophobicContact CB-CZ 4.07Å; Q145-F152 HydrophobicContact CG-CD1 4.05Å; Q145-F152 HydrophobicContact CG-CD2 4.01Å; Q145-F152 HydrophobicContact CG-CE1 3.69Å; Q145-F152 HydrophobicContact CG-CE2 3.66Å; Q145-F152 HydrophobicContact CG-CG 4.19Å; Q145-F152 HydrophobicContact CG-CZ 3.49Å; Q145-F152 VanDerWaalsContact CG-CZ 3.49Å
146D92.3Very high96.1Very high87 Ų8759.6 Ų59.647%0.46529%0.293SS..THydrogen-bonded Turntrans-90.710.4-178.852.811.5000113.4R144 E148R144-D146 WeakPolarHBondContact CB-OD1 3.39Å; R144-D146 IonicContact CZ-OD2 2.63Å; R144-D146 IonicContact NE-OD1 3.44Å; R144-D146 PolarHBondContact NE-OD1 2.91Å; R144-D146 IonicContact NE-OD2 3.58Å; R144-D146 PolarHBondContact NE-OD2 3.14Å; R144-D146 IonicContact NH2-OD2 2.75Å; R144-D146 PolarHBondContact NH2-OD2 3.16Å; D146-E148 WeakPolarHBondContact OD1-CB 3.14Å; D146-E148 PolarHBondContact OD1-N 3.27Å; D146-E148 VanDerWaalsContact OD1-N 3.14Å
147G92.6Very high96Very high42 Ų4267.2 Ų67.243%0.43333%0.326SS..THydrogen-bonded Turntrans93.2-11.3-176.600000114.2Q145 N153Q145-G147 VanDerWaalsContact C-N 3.31Å; G147-N153 PolarHBondContact O-ND2 3.41Å
148E95.6Very high95.9Very high139 Ų13966.9 Ų66.965%0.6533%0.325SS*.THydrogen-bonded Turntrans-96.1-6.9-179.8-63.1-61.6147.100113.4D146 I150D146-E148 WeakPolarHBondContact OD1-CB 3.14Å; D146-E148 PolarHBondContact OD1-N 3.27Å; D146-E148 VanDerWaalsContact OD1-N 3.14Å; E148-I150 PolarHBondContact O-N 3.06Å; E148-I150 VanDerWaalsContact O-N 3.16Å
149G96.8Very high95.9Very high0 Ų067.1 Ų67.10%033%0.327CS..  trans-79.794.8178.700000112N142 R144 I151 F152 N153N142-G149 CarbonylContact O-C 3.49Å; R144-G149 WeakPolarHBondContact O-CA 2.96Å; G149-I151 VanDerWaalsContact C-N 3.29Å; G149-I151 PolarHBondContact O-N 3.35Å; G149-F152 PolarHBondContact O-N 2.93Å; G149-F152 VanDerWaalsContact O-N 3.08Å; G149-N153 WeakPolarHBondContact O-CB 2.86Å; G149-N153 PolarHBondContact O-N 2.84Å; G149-N153 PolarHBondContact O-ND2 3.38Å
150I97.4Very high95.9Very high114 Ų11468.1 Ų68.159%0.58533%0.332SS*.Hα-helixtrans-48.4-49.5-177-60.8172.7000112.1E148 V154E148-I150 PolarHBondContact O-N 3.06Å; E148-I150 VanDerWaalsContact O-N 3.16Å; I150-V154 WeakPolarHBondContact O-CG2 3.18Å; I150-V154 PolarHBondContact O-N 3.41Å
151I98.2Very high96Very high21 Ų2167.8 Ų67.811%0.10833%0.331CS..Hα-helixtrans-74.6-42.1-178.8-60.5-60.6000111H112 V115 N142 M143 G149 N153 V154 L155H112-I151 HydrophobicContact CB-CB 4.4Å; H112-I151 HydrophobicContact CB-CG1 4.2Å; H112-I151 HydrophobicContact CB-CG2 4.01Å; V115-I151 HydrophobicContact CB-CG2 4.04Å; V115-I151 HydrophobicContact CG1-CG2 4.16Å; V115-I151 HydrophobicContact CG2-CG2 3.78Å; N142-I151 HydrophobicContact CB-CB 4.33Å; N142-I151 HydrophobicContact CB-CG1 4Å; N142-I151 WeakPolarHBondContact O-CB 3.17Å; N142-I151 PolarHBondContact O-N 3.2Å; N142-I151 VanDerWaalsContact O-N 3.1Å; M143-I151 HydrophobicContact SD-CB 4.06Å; M143-I151 HydrophobicContact SD-CG2 3.82Å; G149-I151 VanDerWaalsContact C-N 3.29Å; G149-I151 PolarHBondContact O-N 3.35Å; I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 3.24Å; I151-V154 WeakPolarHBondContact O-CB 3.4Å; I151-V154 PolarHBondContact O-N 3.36Å; I151-V154 VanDerWaalsContact O-N 3.14Å; I151-L155 HydrophobicContact CG2-CD1 4.07Å; I151-L155 HydrophobicContact CG2-CG 4.24Å; I151-L155 WeakPolarHBondContact O-CG 3.35Å; I151-L155 PolarHBondContact O-N 2.72Å
152F97.6Very high96.1Very high12 Ų1259.4 Ų59.45%0.05330%0.299CS..Hα-helixtrans-58.1-41.3177.3-173.4-95.7000112.2I46 N142 R144 Q145 G149 V154 L155 L156 V169I46-F152 HydrophobicContact CG1-CE2 4.49Å; I46-F152 HydrophobicContact CG2-CE2 4.43Å; I46-F152 HydrophobicContact CG2-CZ 4.4Å; N142-F152 PolarHBondContact O-N 3.02Å; N142-F152 VanDerWaalsContact O-N 3.15Å; R144-F152 WeakPolarHBondContact O-CB 3.31Å; Q145-F152 HydrophobicContact CB-CD1 4.22Å; Q145-F152 HydrophobicContact CB-CE1 3.83Å; Q145-F152 HydrophobicContact CB-CZ 4.07Å; Q145-F152 HydrophobicContact CG-CD1 4.05Å; Q145-F152 HydrophobicContact CG-CD2 4.01Å; Q145-F152 HydrophobicContact CG-CE1 3.69Å; Q145-F152 HydrophobicContact CG-CE2 3.66Å; Q145-F152 HydrophobicContact CG-CG 4.19Å; Q145-F152 HydrophobicContact CG-CZ 3.49Å; Q145-F152 VanDerWaalsContact CG-CZ 3.49Å; G149-F152 PolarHBondContact O-N 2.93Å; G149-F152 VanDerWaalsContact O-N 3.08Å; F152-V154 VanDerWaalsContact C-N 3.32Å; F152-V154 PolarHBondContact O-N 2.83Å; F152-L155 PolarHBondContact O-N 3.34Å; F152-L156 WeakPolarHBondContact O-CB 3.43Å; F152-L156 PolarHBondContact O-N 2.98Å; F152-V169 HydrophobicContact CD2-CG1 4.07Å; F152-V169 HydrophobicContact CE2-CG1 4.08Å; F152-V169 HydrophobicContact CE2-CG2 4.22Å
153N97.4Very high95.8Very high49 Ų4967.4 Ų67.426%0.26233%0.326SS..Hα-helixtrans-62.4-39177.7-68.7-17.5000112.1G147 G149 I151 L156 K157G147-N153 PolarHBondContact O-ND2 3.41Å; G149-N153 WeakPolarHBondContact O-CB 2.86Å; G149-N153 PolarHBondContact O-N 2.84Å; G149-N153 PolarHBondContact O-ND2 3.38Å; I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 3.24Å; N153-L156 PolarHBondContact O-N 3.08Å; N153-K157 WeakPolarHBondContact O-CG 3.46Å; N153-K157 PolarHBondContact O-N 3.25Å; N153-K157 VanDerWaalsContact O-N 3.16Å
154V97.9Very high95.6Very high50 Ų5074.3 Ų74.330%0.30336%0.356SS..Hα-helixtrans-64-47.2173172.70000110.4V115 V119 I150 I151 F152 L156 K157 L158V115-V154 HydrophobicContact CG1-CG1 4.2Å; V119-V154 HydrophobicContact CG2-CG1 3.86Å; I150-V154 WeakPolarHBondContact O-CG2 3.18Å; I150-V154 PolarHBondContact O-N 3.41Å; I151-V154 WeakPolarHBondContact O-CB 3.4Å; I151-V154 PolarHBondContact O-N 3.36Å; I151-V154 VanDerWaalsContact O-N 3.14Å; F152-V154 VanDerWaalsContact C-N 3.32Å; F152-V154 PolarHBondContact O-N 2.83Å; V154-L156 VanDerWaalsContact C-N 3.3Å; V154-L156 PolarHBondContact O-N 3.03Å; V154-K157 WeakPolarHBondContact O-CB 3.45Å; V154-K157 PolarHBondContact O-N 3.16Å; V154-L158 HydrophobicContact CG1-CD1 4.27Å; V154-L158 WeakPolarHBondContact O-CG 3.45Å; V154-L158 PolarHBondContact O-N 3.19Å
155L97.8Very high95.4Very high0 Ų069.2 Ų69.20%034%0.337CS..Hα-helixtrans-61.9-37.6178.6-64.6174.8000112.3I46 V115 F136 M143 I151 F152 L158 A159 V169I46-L155 HydrophobicContact CD1-CB 3.68Å; I46-L155 HydrophobicContact CD1-CD1 4Å; I46-L155 HydrophobicContact CD1-CG 4.38Å; V115-L155 HydrophobicContact CG1-CD2 3.85Å; V115-L155 HydrophobicContact CG1-CG 4.44Å; V115-L155 HydrophobicContact CG2-CD2 4.02Å; F136-L155 HydrophobicContact CB-CD1 3.67Å; F136-L155 HydrophobicContact CD1-CD1 4.06Å; F136-L155 HydrophobicContact CD1-CD2 3.59Å; F136-L155 HydrophobicContact CD1-CG 4.49Å; F136-L155 HydrophobicContact CD2-CD1 3.98Å; F136-L155 HydrophobicContact CD2-CD2 3.84Å; F136-L155 HydrophobicContact CD2-CG 4.49Å; F136-L155 HydrophobicContact CE1-CD2 3.48Å; F136-L155 VanDerWaalsContact CE1-CD2 3.48Å; F136-L155 HydrophobicContact CE2-CD2 3.72Å; F136-L155 HydrophobicContact CG-CD1 3.63Å; F136-L155 HydrophobicContact CG-CD2 3.78Å; F136-L155 HydrophobicContact CG-CG 4.37Å; F136-L155 HydrophobicContact CZ-CD2 3.55Å; M143-L155 HydrophobicContact CE-CD1 3.81Å; M143-L155 HydrophobicContact SD-CD1 4.49Å; I151-L155 HydrophobicContact CG2-CD1 4.07Å; I151-L155 HydrophobicContact CG2-CG 4.24Å; I151-L155 WeakPolarHBondContact O-CG 3.35Å; I151-L155 PolarHBondContact O-N 2.72Å; F152-L155 PolarHBondContact O-N 3.34Å; L155-L158 HydrophobicContact CD2-CD1 4.37Å; L155-L158 PolarHBondContact O-N 3.01Å; L155-A159 WeakPolarHBondContact O-CB 3.5Å; L155-A159 PolarHBondContact O-N 2.68Å; L155-V169 HydrophobicContact CD1-CG1 4.34Å
156L96.9Very high95.5Very high49 Ų4966 Ų6626%0.25732%0.324SS..Hα-helixtrans-63.3-44.1176.1-175.561.1000111.3I46 F152 N153 V154 L158 A159 V160I46-L156 HydrophobicContact CG2-CB 4.42Å; I46-L156 HydrophobicContact CG2-CD1 4.04Å; F152-L156 WeakPolarHBondContact O-CB 3.43Å; F152-L156 PolarHBondContact O-N 2.98Å; N153-L156 PolarHBondContact O-N 3.08Å; V154-L156 VanDerWaalsContact C-N 3.3Å; V154-L156 PolarHBondContact O-N 3.03Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.55Å; L156-A159 PolarHBondContact O-N 2.94Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 3.37Å
157K97Very high95.8Very high160 Ų16062 Ų6270%0.69630%0.302SS*.Hα-helixtrans-60.6-42.7174.1-70.5173.6-178.8-179.50111.6N153 V154 V160 K161N153-K157 WeakPolarHBondContact O-CG 3.46Å; N153-K157 PolarHBondContact O-N 3.25Å; N153-K157 VanDerWaalsContact O-N 3.16Å; V154-K157 WeakPolarHBondContact O-CB 3.45Å; V154-K157 PolarHBondContact O-N 3.16Å; K157-V160 PolarHBondContact O-N 3.16Å; K157-K161 WeakPolarHBondContact O-CB 3.45Å; K157-K161 PolarHBondContact O-N 3.46Å
158L96.9Very high96Very high10 Ų1061 Ų615%0.05229%0.286CS..Hα-helixtrans-64-43.3176.3-71.4173.2000112.3V119 F126 V154 L155 L156 V160 K161 Y162 M167V119-L158 HydrophobicContact CG2-CD1 3.92Å; F126-L158 HydrophobicContact CD2-CD1 4.47Å; F126-L158 HydrophobicContact CD2-CD2 4.1Å; F126-L158 HydrophobicContact CE2-CD1 3.74Å; F126-L158 HydrophobicContact CE2-CD2 4.1Å; F126-L158 HydrophobicContact CZ-CD1 3.9Å; V154-L158 HydrophobicContact CG1-CD1 4.27Å; V154-L158 WeakPolarHBondContact O-CG 3.45Å; V154-L158 PolarHBondContact O-N 3.19Å; L155-L158 HydrophobicContact CD2-CD1 4.37Å; L155-L158 PolarHBondContact O-N 3.01Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.55Å; L158-V160 VanDerWaalsContact C-N 3.28Å; L158-V160 PolarHBondContact O-N 3.05Å; L158-K161 PolarHBondContact O-N 3.49Å; L158-Y162 HydrophobicContact CD2-CD2 4.14Å; L158-Y162 HydrophobicContact CD2-CE2 3.92Å; L158-Y162 PolarHBondContact O-N 3.31Å; L158-M167 HydrophobicContact CB-CE 4.09Å; L158-M167 HydrophobicContact CB-SD 4.13Å
159A95.6Very high96.2Very high13 Ų1354.6 Ų54.611%0.10726%0.256CS..Hα-helixtrans-63-35.1178.100000112.1I46 L155 L156 M167I46-A159 HydrophobicContact CB-CB 4.27Å; I46-A159 HydrophobicContact CG2-CB 3.91Å; L155-A159 WeakPolarHBondContact O-CB 3.5Å; L155-A159 PolarHBondContact O-N 2.68Å; L156-A159 PolarHBondContact O-N 2.94Å; A159-M167 HydrophobicContact CB-SD 4.04Å
160V95.6Very high96.2Very high68 Ų6855.1 Ų55.141%0.41226%0.26SS..Hα-helixtrans-69.3-42.9173.5172.50000111.5P48 L156 K157 L158 R163P48-V160 HydrophobicContact CB-CG2 4.25Å; P48-V160 HydrophobicContact CG-CG2 4.15Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 3.37Å; K157-V160 PolarHBondContact O-N 3.16Å; L158-V160 VanDerWaalsContact C-N 3.28Å; L158-V160 PolarHBondContact O-N 3.05Å; V160-R163 WeakPolarHBondContact O-CG 3.13Å
161K96.6Very high96.2Very high120 Ų12051 Ų5152%0.52224%0.24SC..Hα-helixtrans-68.9-41.6-179.5-176.5174.4175.9-176.40112.6E122 K157 L158E122-K161 IonicContact OE1-NZ 2.64Å; E122-K161 PolarHBondContact OE1-NZ 3.44Å; E122-K161 IonicContact OE2-NZ 2.76Å; E122-K161 PolarHBondContact OE2-NZ 2.84Å; K157-K161 WeakPolarHBondContact O-CB 3.45Å; K157-K161 PolarHBondContact O-N 3.46Å; L158-K161 PolarHBondContact O-N 3.49Å
162Y95.7Very high96Very high25 Ų2553.9 Ų53.910%0.09825%0.252CS..  trans-114.267-174.4-61.4-75000111.5E122 Q123 F126 K127 L158 K164 S165E122-Y162 HydrophobicContact CB-CE2 4.32Å; E122-Y162 PolarHBondContact OE1-OH 3.34Å; E122-Y162 PolarHBondContact OE2-OH 2.73Å; E122-Y162 VanDerWaalsContact OE2-OH 3.06Å; Q123-Y162 PolarHBondContact NE2-OH 3.2Å; F126-Y162 HydrophobicContact CB-CD1 3.73Å; F126-Y162 HydrophobicContact CB-CD2 3.38Å; F126-Y162 HydrophobicContact CB-CE1 4.03Å; F126-Y162 HydrophobicContact CB-CE2 3.69Å; F126-Y162 HydrophobicContact CB-CG 3.4Å; F126-Y162 VanDerWaalsContact CB-CG 3.4Å; F126-Y162 HydrophobicContact CD2-CD2 4.27Å; F126-Y162 HydrophobicContact CD2-CE2 4.15Å; F126-Y162 HydrophobicContact CG-CD2 4.02Å; F126-Y162 HydrophobicContact CG-CE2 4.28Å; F126-Y162 HydrophobicContact CG-CG 4.42Å; F126-Y162 WeakPolarHBondContact O-CD1 3.49Å; K127-Y162 HydrophobicContact CB-CE1 4.1Å; L158-Y162 HydrophobicContact CD2-CD2 4.14Å; L158-Y162 HydrophobicContact CD2-CE2 3.92Å; L158-Y162 PolarHBondContact O-N 3.31Å; Y162-K164 PolarHBondContact O-N 3.07Å; Y162-S165 WeakPolarHBondContact O-CB 3.35Å; Y162-S165 PolarHBondContact O-N 3.28Å
163R91.5Very high95.9Very high204 Ų20457.2 Ų57.277%0.7728%0.277SS*.THydrogen-bonded Turntrans-58.8-24.5-173.1-61.5-174.7-178.1175.2-1.1115.4V160V160-R163 WeakPolarHBondContact O-CG 3.13Å
164K91.3Very high95.9Very high166 Ų16656 Ų5672%0.72227%0.27SS*.THydrogen-bonded Turntrans-74-30176.2-68.5-171.4177.3-175.30112.4A130 Y162 N166A130-K164 HydrophobicContact CB-CB 4.19Å; A130-K164 CarbonylContact O-C 3.59Å; Y162-K164 PolarHBondContact O-N 3.07Å; K164-N166 PolarHBondContact O-N 3.26Å
165S90.9Very high95.9Very high4 Ų454.8 Ų54.83%0.02826%0.261CS..SBendtrans-74.2122.5-180-61.90000109.8F126 A130 Y162 M167F126-S165 PolarHBondContact O-OG 3.1Å; A130-S165 WeakPolarHBondContact O-CA 3.47Å; Y162-S165 WeakPolarHBondContact O-CB 3.35Å; Y162-S165 PolarHBondContact O-N 3.28Å; S165-M167 PolarHBondContact O-N 3.12Å
166N94.8Very high95.8Very high53 Ų5360.7 Ų60.728%0.28329%0.287SS..EExtended strand (participates in β ladder)trans-81.6115.5177.7-70.8-55.3000109.2R45 T133 Y134 K164 Y168R45-N166 PolarHBondContact NH2-OD1 3.24Å; T133-N166 CarbonylContact C-O 3.55Å; T133-N166 WeakPolarHBondContact CA-O 3.46Å; T133-N166 HydrophobicContact CG2-CB 4.3Å; Y134-N166 PolarHBondContact N-O 2.86Å; K164-N166 PolarHBondContact O-N 3.26Å; N166-Y168 HydrophobicContact CB-CE2 4.02Å
167M97.4Very high95.8Very high2 Ų263.5 Ų63.51%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-120.5130.1-177.1-58.1-171.6-170.700110.7I46 F126 F136 L158 A159 S165I46-M167 HydrophobicContact CB-CB 4.24Å; I46-M167 HydrophobicContact CD1-CB 3.99Å; I46-M167 HydrophobicContact CG1-CB 4.27Å; I46-M167 PolarHBondContact N-O 3.01Å; F126-M167 HydrophobicContact CD1-CE 3.4Å; F126-M167 VanDerWaalsContact CD1-CE 3.4Å; F126-M167 HydrophobicContact CE1-CE 3.7Å; F126-M167 HydrophobicContact CG-CE 4.07Å; F136-M167 HydrophobicContact CE2-CB 4.09Å; F136-M167 HydrophobicContact CE2-CG 4.13Å; F136-M167 HydrophobicContact CE2-SD 4.21Å; L158-M167 HydrophobicContact CB-CE 4.09Å; L158-M167 HydrophobicContact CB-SD 4.13Å; A159-M167 HydrophobicContact CB-SD 4.04Å; S165-M167 PolarHBondContact O-N 3.12Å
168Y98.2Very high95.8Very high22 Ų2255.9 Ų55.99%0.08626%0.262CS..EExtended strand (participates in β ladder)trans-129.2153.9180-64.3-97.6000110.1S44 R45 L55 T133 Y134 F136 N166S44-Y168 CarbonylContact O-C 3.51Å; S44-Y168 VanDerWaalsContact O-CA 3.28Å; S44-Y168 WeakPolarHBondContact O-CA 3.42Å; R45-Y168 VanDerWaalsContact CA-CD1 3.49Å; R45-Y168 HydrophobicContact CB-CD1 3.98Å; R45-Y168 HydrophobicContact CB-CE1 3.74Å; R45-Y168 HydrophobicContact CG-CD1 4.48Å; R45-Y168 HydrophobicContact CG-CE1 4.09Å; R45-Y168 VanDerWaalsContact N-CD1 3.34Å; L55-Y168 VanDerWaalsContact CA-CE1 3.46Å; L55-Y168 HydrophobicContact CB-CD1 3.89Å; L55-Y168 HydrophobicContact CB-CE1 3.88Å; L55-Y168 HydrophobicContact CB-CG 4.37Å; L55-Y168 HydrophobicContact CD1-CD2 4.1Å; L55-Y168 HydrophobicContact CD1-CE1 4.25Å; L55-Y168 HydrophobicContact CD1-CE2 3.71Å; T133-Y168 HydrophobicContact CG2-CD2 3.83Å; T133-Y168 HydrophobicContact CG2-CE2 3.85Å; Y134-Y168 PolarHBondContact O-N 2.86Å; F136-Y168 WeakPolarHBondContact CD2-O 3.41Å; F136-Y168 PolarHBondContact N-O 3.21Å; N166-Y168 HydrophobicContact CB-CE2 4.02Å
169V97.8Very high95.7Very high5 Ų556.6 Ų56.63%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-115.5142.4168.6-69.10000110.7Y43 S44 I46 F136 M143 F152 L155 T171Y43-V169 CarbonylContact C-O 3.55Å; Y43-V169 WeakPolarHBondContact CA-O 3.46Å; S44-V169 PolarHBondContact N-O 3.18Å; S44-V169 PolarHBondContact O-N 3.21Å; S44-V169 VanDerWaalsContact OG-CG2 3.25Å; S44-V169 WeakPolarHBondContact OG-CG2 3.3Å; I46-V169 HydrophobicContact CD1-CG1 3.54Å; I46-V169 HydrophobicContact CG1-CG1 3.7Å; F136-V169 HydrophobicContact CB-CG1 4.32Å; F136-V169 CarbonylContact O-C 3.25Å; F136-V169 VanDerWaalsContact O-CA 3.3Å; F136-V169 WeakPolarHBondContact O-CA 3.48Å; M143-V169 HydrophobicContact CE-CB 4.2Å; M143-V169 HydrophobicContact CE-CG1 3.53Å; F152-V169 HydrophobicContact CD2-CG1 4.07Å; F152-V169 HydrophobicContact CE2-CG1 4.08Å; F152-V169 HydrophobicContact CE2-CG2 4.22Å; L155-V169 HydrophobicContact CD1-CG1 4.34Å; V169-T171 PolarHBondContact O-N 2.93Å
170V98.2Very high95.8Very high11 Ų1158.2 Ų58.27%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-69.7121.6166.2-173.80000108.3G42 Y43 V135 F136 W137 K174 I175G42-V170 WeakPolarHBondContact O-CA 3.49Å; Y43-V170 HydrophobicContact CD1-CG2 3.98Å; Y43-V170 HydrophobicContact CE1-CG2 4.07Å; V135-V170 HydrophobicContact CG1-CG2 3.79Å; F136-V170 PolarHBondContact O-N 3.39Å; W137-V170 HydrophobicContact CB-CB 3.98Å; W137-V170 HydrophobicContact CB-CG2 3.63Å; V170-K174 HydrophobicContact CG1-CB 3.67Å; V170-K174 HydrophobicContact CG1-CG 3.54Å; V170-I175 HydrophobicContact CB-CD1 4.06Å; V170-I175 HydrophobicContact CG1-CD1 3.6Å; V170-I175 HydrophobicContact CG1-CG1 3.97Å
171T96.3Very high95.9Very high27 Ų2755.9 Ų55.917%0.16626%0.262CS..  trans-70.7159.1-177.764.70000111.5G42 V169 S173 K174 I175G42-T171 VanDerWaalsContact CA-OG1 3.3Å; G42-T171 WeakPolarHBondContact CA-OG1 3.47Å; G42-T171 WeakPolarHBondContact O-CG2 3.45Å; G42-T171 PolarHBondContact O-N 2.99Å; G42-T171 PolarHBondContact O-OG1 3.45Å; V169-T171 PolarHBondContact O-N 2.93Å; T171-S173 PolarHBondContact O-N 2.89Å; T171-S173 PolarHBondContact OG1-OG 3.14Å; T171-K174 PolarHBondContact O-N 3.41Å; T171-K174 PolarHBondContact OG1-N 2.79Å; T171-I175 WeakPolarHBondContact O-CG1 3.46Å; T171-I175 PolarHBondContact O-N 3.44Å
172E95.3Very high95.9Very high81 Ų8150.5 Ų50.538%0.37924%0.239SC..Hα-helixtrans-55.2-38.3175.2-174.2-178155.500112.1K140 I175 K176K140-E172 WeakPolarHBondContact CD-OE2 3.31Å; K140-E172 WeakPolarHBondContact CE-OE2 3.21Å; K140-E172 IonicContact NZ-OE1 2.7Å; K140-E172 PolarHBondContact NZ-OE1 2.75Å; K140-E172 IonicContact NZ-OE2 3.04Å; K140-E172 PolarHBondContact NZ-OE2 3.13Å; E172-I175 PolarHBondContact O-N 2.98Å; E172-K176 WeakPolarHBondContact O-CG 3.18Å; E172-K176 PolarHBondContact O-N 3.31Å; E172-K176 VanDerWaalsContact OE1-CE 3.26Å; E172-K176 WeakPolarHBondContact OE1-CE 3.46Å; E172-K176 IonicContact OE1-NZ 2.62Å; E172-K176 PolarHBondContact OE1-NZ 3.14Å
173S95.8Very high95.9Very high82 Ų8253 Ų5357%0.57325%0.251SS*.Hα-helixtrans-64.4-40175.853.80000112.7T171 K176 Y177T171-S173 PolarHBondContact O-N 2.89Å; T171-S173 PolarHBondContact OG1-OG 3.14Å; S173-K176 PolarHBondContact O-N 2.99Å; S173-Y177 PolarHBondContact O-N 3Å
174K97.5Very high96.2Very high24 Ų2449.3 Ų49.310%0.10425%0.247CC..Hα-helixtrans-71.9-34.2177.1-17762.870.5165.40112R41 G42 Y43 V170 T171 Y177 C178 E209R41-K174 WeakPolarHBondContact O-CE 3.42Å; R41-K174 PolarHBondContact O-NZ 3.14Å; G42-K174 WeakPolarHBondContact O-CB 3.35Å; Y43-K174 HydrophobicContact CE1-CG 4.29Å; V170-K174 HydrophobicContact CG1-CB 3.67Å; V170-K174 HydrophobicContact CG1-CG 3.54Å; T171-K174 PolarHBondContact O-N 3.41Å; T171-K174 PolarHBondContact OG1-N 2.79Å; K174-Y177 HydrophobicContact CD-CD1 3.82Å; K174-Y177 WeakPolarHBondContact O-CB 3.34Å; K174-Y177 PolarHBondContact O-N 3.06Å; K174-C178 PolarHBondContact O-N 2.84Å; K174-C178 PolarHBondContact O-SG 2.84Å; K174-E209 VanDerWaalsContact NZ-CD 3.31Å; K174-E209 IonicContact NZ-OE1 2.62Å; K174-E209 PolarHBondContact NZ-OE1 3.02Å; K174-E209 IonicContact NZ-OE2 2.78Å; K174-E209 PolarHBondContact NZ-OE2 3.03Å; K174-E209 VanDerWaalsContact NZ-OE2 3.16Å
175I96.8Very high96.5Very high25 Ų2543.9 Ų43.913%0.12822%0.224CC..Hα-helixtrans-59.3-49.6169.9-63.2-62.8000110.3W137 V170 T171 E172 Y177 C178 D179 F202W137-I175 HydrophobicContact CB-CD1 4.34Å; W137-I175 HydrophobicContact CE3-CD1 4.37Å; V170-I175 HydrophobicContact CB-CD1 4.06Å; V170-I175 HydrophobicContact CG1-CD1 3.6Å; V170-I175 HydrophobicContact CG1-CG1 3.97Å; T171-I175 WeakPolarHBondContact O-CG1 3.46Å; T171-I175 PolarHBondContact O-N 3.44Å; E172-I175 PolarHBondContact O-N 2.98Å; I175-Y177 VanDerWaalsContact C-N 3.29Å; I175-Y177 PolarHBondContact O-N 3.44Å; I175-C178 PolarHBondContact O-N 3.46Å; I175-C178 VanDerWaalsContact O-N 3.17Å; I175-D179 VanDerWaalsContact O-CG 3.23Å; I175-D179 PolarHBondContact O-N 3.1Å; I175-F202 HydrophobicContact CD1-CD1 4.34Å; I175-F202 HydrophobicContact CD1-CE1 3.54Å; I175-F202 HydrophobicContact CD1-CZ 3.94Å
176K95.8Very high96.6Very high123 Ų12345.4 Ų45.454%0.53523%0.233SC..Hα-helixtrans-60.7-37.8176.6-71174.2-174.7169.40112.5E172 S173 D179 S180E172-K176 WeakPolarHBondContact O-CG 3.18Å; E172-K176 PolarHBondContact O-N 3.31Å; E172-K176 VanDerWaalsContact OE1-CE 3.26Å; E172-K176 WeakPolarHBondContact OE1-CE 3.46Å; E172-K176 IonicContact OE1-NZ 2.62Å; E172-K176 PolarHBondContact OE1-NZ 3.14Å; S173-K176 PolarHBondContact O-N 2.99Å; K176-D179 WeakPolarHBondContact O-CB 3.48Å; K176-D179 PolarHBondContact O-N 3.29Å; K176-S180 PolarHBondContact O-N 3.48Å
177Y97.1Very high96.6Very high108 Ų10846.2 Ų46.242%0.42425%0.254SS..Hα-helixtrans-60.4-49.2173.4169.7-99.1000111.5S173 K174 I175 D179 S180 V181 I205S173-Y177 PolarHBondContact O-N 3Å; K174-Y177 HydrophobicContact CD-CD1 3.82Å; K174-Y177 WeakPolarHBondContact O-CB 3.34Å; K174-Y177 PolarHBondContact O-N 3.06Å; I175-Y177 VanDerWaalsContact C-N 3.29Å; I175-Y177 PolarHBondContact O-N 3.44Å; Y177-D179 PolarHBondContact O-N 2.94Å; Y177-S180 WeakPolarHBondContact O-CB 3.5Å; Y177-S180 PolarHBondContact O-N 3.23Å; Y177-S180 PolarHBondContact O-OG 2.81Å; Y177-V181 HydrophobicContact CD1-CG2 4.23Å; Y177-V181 HydrophobicContact CD2-CG2 4.41Å; Y177-V181 HydrophobicContact CE1-CG2 3.76Å; Y177-V181 HydrophobicContact CE2-CG2 3.93Å; Y177-V181 WeakPolarHBondContact O-CG2 3.38Å; Y177-V181 PolarHBondContact O-N 3.39Å; Y177-I205 HydrophobicContact CE1-CG2 4.13Å
178C97Very high96.3Very high1 Ų152.6 Ų52.61%0.00728%0.282CS..Hα-helixtrans-58.7-36177.1-61.70000111.6K174 I175 V181 F182 L197 F201 F202 I205K174-C178 PolarHBondContact O-N 2.84Å; K174-C178 PolarHBondContact O-SG 2.84Å; I175-C178 PolarHBondContact O-N 3.46Å; I175-C178 VanDerWaalsContact O-N 3.17Å; C178-V181 PolarHBondContact O-N 3.24Å; C178-F182 PolarHBondContact O-N 2.88Å; C178-L197 HydrophobicContact CB-CD1 4.01Å; C178-F201 HydrophobicContact CB-CE1 4.33Å; C178-F202 HydrophobicContact CB-CD1 4.18Å; C178-F202 HydrophobicContact CB-CE1 3.71Å; C178-I205 HydrophobicContact CB-CD1 3.93Å
179D95.5Very high95.8Very high24 Ų2454 Ų5413%0.12829%0.291CS..Hα-helixtrans-65.4-41.6175.4-61.5-14.4000112.2I175 K176 Y177 V181 F182 Q183 R190 L197I175-D179 VanDerWaalsContact O-CG 3.23Å; I175-D179 PolarHBondContact O-N 3.1Å; K176-D179 WeakPolarHBondContact O-CB 3.48Å; K176-D179 PolarHBondContact O-N 3.29Å; Y177-D179 PolarHBondContact O-N 2.94Å; D179-V181 VanDerWaalsContact C-N 3.35Å; D179-F182 PolarHBondContact O-N 3.45Å; D179-Q183 WeakPolarHBondContact O-CB 3.29Å; D179-Q183 PolarHBondContact O-N 3.2Å; D179-R190 IonicContact OD1-CZ 3.39Å; D179-R190 IonicContact OD1-NE 3.42Å; D179-R190 PolarHBondContact OD1-NE 2.91Å; D179-R190 IonicContact OD1-NH2 2.83Å; D179-R190 PolarHBondContact OD1-NH2 2.84Å; D179-R190 IonicContact OD2-CZ 3.04Å; D179-R190 IonicContact OD2-NE 3.32Å; D179-R190 IonicContact OD2-NH2 3.33Å; D179-R190 PolarHBondContact OD2-NH2 2.96Å; D179-L197 WeakPolarHBondContact OD1-CD1 3.34Å
180S96.8Very high95.3Very high47 Ų4755 Ų5533%0.32929%0.294SS..Hα-helixtrans-66.3-37.8176.273.80000112K176 Y177 Q183 N184K176-S180 PolarHBondContact O-N 3.48Å; Y177-S180 WeakPolarHBondContact O-CB 3.5Å; Y177-S180 PolarHBondContact O-N 3.23Å; Y177-S180 PolarHBondContact O-OG 2.81Å; S180-Q183 PolarHBondContact O-N 3.48Å; S180-N184 WeakPolarHBondContact O-CB 3.11Å; S180-N184 PolarHBondContact O-N 2.81Å; S180-N184 PolarHBondContact O-ND2 2.88Å; S180-N184 PolarHBondContact O-OD1 3.26Å
181V97.6Very high94.6Very high19 Ų1960 Ų6012%0.11532%0.318CS..Hα-helixtrans-60.5-51.7174.6172.20000109.5Y177 C178 D179 Q183 N184 E185 F201 I205 W272Y177-V181 HydrophobicContact CD1-CG2 4.23Å; Y177-V181 HydrophobicContact CD2-CG2 4.41Å; Y177-V181 HydrophobicContact CE1-CG2 3.76Å; Y177-V181 HydrophobicContact CE2-CG2 3.93Å; Y177-V181 WeakPolarHBondContact O-CG2 3.38Å; Y177-V181 PolarHBondContact O-N 3.39Å; C178-V181 PolarHBondContact O-N 3.24Å; D179-V181 VanDerWaalsContact C-N 3.35Å; V181-Q183 VanDerWaalsContact C-N 3.31Å; V181-Q183 PolarHBondContact O-N 2.8Å; V181-N184 PolarHBondContact O-N 3.12Å; V181-E185 HydrophobicContact CG1-CG 4.37Å; V181-E185 VanDerWaalsContact O-CG 3.28Å; V181-E185 WeakPolarHBondContact O-CG 3.28Å; V181-E185 PolarHBondContact O-N 3.49Å; V181-F201 HydrophobicContact CG1-CZ 4.06Å; V181-I205 HydrophobicContact CB-CD1 4.42Å; V181-I205 HydrophobicContact CG1-CD1 4.33Å; V181-W272 HydrophobicContact CG1-CH2 4.12Å; V181-W272 HydrophobicContact CG1-CZ2 3.56Å
182F96.6Very high94Very high8 Ų867.4 Ų67.44%0.03535%0.348CS..Hα-helixtrans-58.6-43.4177.5-177.3-87.4000112.3C178 D179 E185 T186 R190 L197 F201 R261 T264 E265 I268C178-F182 PolarHBondContact O-N 2.88Å; D179-F182 PolarHBondContact O-N 3.45Å; F182-E185 PolarHBondContact O-N 2.94Å; F182-T186 HydrophobicContact CD1-CG2 4.4Å; F182-T186 HydrophobicContact CD2-CG2 4.42Å; F182-T186 HydrophobicContact CE1-CG2 4.08Å; F182-T186 HydrophobicContact CE2-CG2 4.12Å; F182-T186 HydrophobicContact CZ-CG2 3.94Å; F182-T186 WeakPolarHBondContact O-CB 3.36Å; F182-T186 WeakPolarHBondContact O-CG2 3.36Å; F182-T186 PolarHBondContact O-N 3.08Å; F182-T186 VanDerWaalsContact O-N 3.1Å; F182-T186 PolarHBondContact O-OG1 3.3Å; F182-R190 HydrophobicContact CD1-CB 3.99Å; F182-R190 HydrophobicContact CD1-CG 4.44Å; F182-R190 HydrophobicContact CE1-CB 3.97Å; F182-L197 HydrophobicContact CB-CD2 3.81Å; F182-L197 HydrophobicContact CD2-CD2 3.38Å; F182-L197 HydrophobicContact CE2-CD2 4.06Å; F182-L197 HydrophobicContact CG-CD2 3.65Å; F182-F201 HydrophobicContact CB-CE1 4.3Å; F182-F201 HydrophobicContact CB-CZ 3.91Å; F182-F201 HydrophobicContact CD2-CE2 4.2Å; F182-F201 HydrophobicContact CD2-CZ 4.29Å; F182-R261 HydrophobicContact CE2-CB 4.22Å; F182-R261 HydrophobicContact CZ-CB 4.07Å; F182-R261 HydrophobicContact CZ-CG 4.18Å; F182-T264 HydrophobicContact CE2-CG2 4Å; F182-T264 HydrophobicContact CZ-CG2 3.91Å; F182-E265 HydrophobicContact CE2-CG 4.23Å; F182-I268 HydrophobicContact CD2-CD1 3.74Å; F182-I268 HydrophobicContact CE2-CD1 3.99Å
183Q96.6Very high93.1Very high76 Ų7666.5 Ų66.536%0.35535%0.348SS..Hα-helixtrans-63.6-41.3178.1180174.8-34.600112D179 S180 V181 T186 G187 K188 N189D179-Q183 WeakPolarHBondContact O-CB 3.29Å; D179-Q183 PolarHBondContact O-N 3.2Å; S180-Q183 PolarHBondContact O-N 3.48Å; V181-Q183 VanDerWaalsContact C-N 3.31Å; V181-Q183 PolarHBondContact O-N 2.8Å; Q183-T186 PolarHBondContact O-N 2.63Å; Q183-G187 WeakPolarHBondContact O-CA 3.42Å; Q183-G187 PolarHBondContact O-N 2.52Å; Q183-K188 WeakPolarHBondContact CA-O 3.38Å; Q183-N189 HydrophobicContact CG-CB 4.46Å; Q183-N189 PolarHBondContact OE1-ND2 2.84Å
184N96.9Very high92.4Very high127 Ų12764 Ų6468%0.67934%0.336SS*.Hα-helixtrans-68.5-37.1179.6-70-8.8000111.7S180 V181S180-N184 WeakPolarHBondContact O-CB 3.11Å; S180-N184 PolarHBondContact O-N 2.81Å; S180-N184 PolarHBondContact O-ND2 2.88Å; S180-N184 PolarHBondContact O-OD1 3.26Å; V181-N184 PolarHBondContact O-N 3.12Å
185E96.9Very high91.9Very high52 Ų5263 Ų6324%0.24333%0.332CS..Hα-helixtrans-71.9-30.4178.9-68.8-66.8174.700113.2V181 F182 I268 K271 W272V181-E185 HydrophobicContact CG1-CG 4.37Å; V181-E185 VanDerWaalsContact O-CG 3.28Å; V181-E185 WeakPolarHBondContact O-CG 3.28Å; V181-E185 PolarHBondContact O-N 3.49Å; F182-E185 PolarHBondContact O-N 2.94Å; E185-I268 HydrophobicContact CB-CD1 3.87Å; E185-I268 HydrophobicContact CB-CG1 3.87Å; E185-I268 HydrophobicContact CB-CG2 4.07Å; E185-I268 HydrophobicContact CG-CG2 3.76Å; E185-K271 WeakPolarHBondContact OE2-CD 3.35Å; E185-K271 WeakPolarHBondContact OE2-CE 3.37Å; E185-K271 IonicContact OE2-NZ 2.7Å; E185-K271 PolarHBondContact OE2-NZ 2.71Å; E185-W272 HydrophobicContact CG-CZ2 4.36Å; E185-W272 PolarHBondContact OE1-NE1 3.39Å
186T94.7Very high91.5Very high37 Ų3766.4 Ų66.423%0.22735%0.346CS..Hα-helixtrans-111.9-14.5-171.563.70000114.5F182 Q183 K188 T264 I268F182-T186 HydrophobicContact CD1-CG2 4.4Å; F182-T186 HydrophobicContact CD2-CG2 4.42Å; F182-T186 HydrophobicContact CE1-CG2 4.08Å; F182-T186 HydrophobicContact CE2-CG2 4.12Å; F182-T186 HydrophobicContact CZ-CG2 3.94Å; F182-T186 WeakPolarHBondContact O-CB 3.36Å; F182-T186 WeakPolarHBondContact O-CG2 3.36Å; F182-T186 PolarHBondContact O-N 3.08Å; F182-T186 VanDerWaalsContact O-N 3.1Å; F182-T186 PolarHBondContact O-OG1 3.3Å; Q183-T186 PolarHBondContact O-N 2.63Å; T186-K188 PolarHBondContact O-N 3.49Å; T186-K188 WeakPolarHBondContact OG1-CB 3.36Å; T186-K188 PolarHBondContact OG1-N 2.97Å; T186-K188 PolarHBondContact OG1-O 3.09Å; T186-T264 HydrophobicContact CG2-CG2 3.59Å; T186-I268 HydrophobicContact CG2-CD1 3.73Å; T186-I268 HydrophobicContact CG2-CG1 4.23Å
187G94.3Very high91.5Very high69 Ų6960.7 Ų60.771%0.71132%0.321SS*.SBendtrans67.13.7-164.600000114.2Q183Q183-G187 WeakPolarHBondContact O-CA 3.42Å; Q183-G187 PolarHBondContact O-N 2.52Å
188K90.1Very high91.5Very high137 Ų13756 Ų5660%0.59630%0.304SS*.  trans-111.4123.3-172.7-64.2176-175.8175.30111.2Q183 T186 R190Q183-K188 WeakPolarHBondContact CA-O 3.38Å; T186-K188 PolarHBondContact O-N 3.49Å; T186-K188 WeakPolarHBondContact OG1-CB 3.36Å; T186-K188 PolarHBondContact OG1-N 2.97Å; T186-K188 PolarHBondContact OG1-O 3.09Å; K188-R190 PolarHBondContact O-N 3.09Å
189N88.9Confident91.5Very high51 Ų5156.5 Ų56.527%0.27331%0.307SS..  trans-78.6103171.9-175.1-35.7000110.2Q183 M191 K192Q183-N189 HydrophobicContact CG-CB 4.46Å; Q183-N189 PolarHBondContact OE1-ND2 2.84Å; N189-M191 PolarHBondContact O-N 2.9Å; N189-M191 WeakPolarHBondContact OD1-CA 3.36Å; N189-M191 VanDerWaalsContact OD1-CB 3.26Å; N189-M191 WeakPolarHBondContact OD1-CB 3.32Å; N189-M191 PolarHBondContact OD1-N 2.56Å; N189-K192 HydrophobicContact CB-CD 4.15Å; N189-K192 HydrophobicContact CB-CG 4.06Å; N189-K192 WeakPolarHBondContact O-CB 3.38Å; N189-K192 PolarHBondContact O-N 3.33Å; N189-K192 VanDerWaalsContact O-N 3.16Å; N189-K192 PolarHBondContact OD1-N 2.82Å
190R86.9Confident91.7Very high25 Ų2555.8 Ų55.89%0.09431%0.305CS..Hα-helixtrans-58.1-31.8-179.572.4171-164.875.64.2113.4D179 F182 K188 K192 T193 G194 A195D179-R190 IonicContact OD1-CZ 3.39Å; D179-R190 IonicContact OD1-NE 3.42Å; D179-R190 PolarHBondContact OD1-NE 2.91Å; D179-R190 IonicContact OD1-NH2 2.83Å; D179-R190 PolarHBondContact OD1-NH2 2.84Å; D179-R190 IonicContact OD2-CZ 3.04Å; D179-R190 IonicContact OD2-NE 3.32Å; D179-R190 IonicContact OD2-NH2 3.33Å; D179-R190 PolarHBondContact OD2-NH2 2.96Å; F182-R190 HydrophobicContact CD1-CB 3.99Å; F182-R190 HydrophobicContact CD1-CG 4.44Å; F182-R190 HydrophobicContact CE1-CB 3.97Å; K188-R190 PolarHBondContact O-N 3.09Å; R190-K192 VanDerWaalsContact C-N 3.28Å; R190-K192 PolarHBondContact O-N 3.44Å; R190-T193 CarbonylContact O-C 3.48Å; R190-T193 PolarHBondContact O-N 3.08Å; R190-T193 PolarHBondContact O-OG1 3.06Å; R190-G194 PolarHBondContact O-N 3.15Å; R190-A195 HydrophobicContact CB-CB 4.37Å; R190-A195 PolarHBondContact NH1-O 3.49Å; R190-A195 PolarHBondContact O-N 3.17Å
191M82.8Confident91.8Very high117 Ų11753.6 Ų53.658%0.57629%0.29SS*.Hα-helixtrans-66.7-31.2-178-61.7-63.6-6800111.7N189 T193 G194N189-M191 PolarHBondContact O-N 2.9Å; N189-M191 WeakPolarHBondContact OD1-CA 3.36Å; N189-M191 VanDerWaalsContact OD1-CB 3.26Å; N189-M191 WeakPolarHBondContact OD1-CB 3.32Å; N189-M191 PolarHBondContact OD1-N 2.56Å; M191-T193 VanDerWaalsContact C-N 3.26Å; M191-T193 PolarHBondContact O-N 3.29Å; M191-G194 PolarHBondContact O-N 3.46Å
192K83.8Confident91.8Very high182 Ų18253 Ų5379%0.79129%0.286SS*.Hα-helixtrans-65.2-31.3172.7-66.7-172.8178.6-176.20112.5N189 R190N189-K192 HydrophobicContact CB-CD 4.15Å; N189-K192 HydrophobicContact CB-CG 4.06Å; N189-K192 WeakPolarHBondContact O-CB 3.38Å; N189-K192 PolarHBondContact O-N 3.33Å; N189-K192 VanDerWaalsContact O-N 3.16Å; N189-K192 PolarHBondContact OD1-N 2.82Å; R190-K192 VanDerWaalsContact C-N 3.28Å; R190-K192 PolarHBondContact O-N 3.44Å
193T76.9Confident91.9Very high62 Ų6252.6 Ų52.638%0.3828%0.284SS..Hα-helixtrans-93-11.8-18064.80000113.5R190 M191 A195R190-T193 CarbonylContact O-C 3.48Å; R190-T193 PolarHBondContact O-N 3.08Å; R190-T193 PolarHBondContact O-OG1 3.06Å; M191-T193 VanDerWaalsContact C-N 3.26Å; M191-T193 PolarHBondContact O-N 3.29Å; T193-A195 PolarHBondContact O-N 2.96Å; T193-A195 WeakPolarHBondContact OG1-CB 3.48Å
194G81.6Confident92Very high31 Ų3149 Ų4932%0.3227%0.267SS..THydrogen-bonded Turntrans66.623.8-172.800000113.8R190 M191 G258R190-G194 PolarHBondContact O-N 3.15Å; M191-G194 PolarHBondContact O-N 3.46Å; G194-G258 PolarHBondContact O-N 3.26Å
195A87.1Confident92.1Very high2 Ų243.1 Ų43.12%0.01724%0.236CC..  trans-81.2146.2175.800000111.2R190 T193 G259 R261R190-A195 HydrophobicContact CB-CB 4.37Å; R190-A195 PolarHBondContact NH1-O 3.49Å; R190-A195 PolarHBondContact O-N 3.17Å; T193-A195 PolarHBondContact O-N 2.96Å; T193-A195 WeakPolarHBondContact OG1-CB 3.48Å; A195-G259 WeakPolarHBondContact CA-O 3.29Å; A195-R261 HydrophobicContact CB-CG 3.96Å
196F87.9Confident92.2Very high97 Ų9740.7 Ų40.743%0.42522%0.224SC..BIsolated β-bridgetrans-104.5136.3179.7-69.3-79.7000111.8G259 H260F196-G259 PolarHBondContact N-O 2.7Å; F196-H260 WeakPolarHBondContact O-CA 3.31Å; F196-H260 PolarHBondContact O-ND1 3.34Å
197L94.8Very high92.4Very high2 Ų239 Ų391%0.0121%0.214CC..  trans-67144.1166.1-62.3172.2000109.7W137 C178 D179 F182 F201 F202 E265W137-L197 VanDerWaalsContact CH2-O 3.3Å; W137-L197 WeakPolarHBondContact CH2-O 3.31Å; C178-L197 HydrophobicContact CB-CD1 4.01Å; D179-L197 WeakPolarHBondContact OD1-CD1 3.34Å; F182-L197 HydrophobicContact CB-CD2 3.81Å; F182-L197 HydrophobicContact CD2-CD2 3.38Å; F182-L197 HydrophobicContact CE2-CD2 4.06Å; F182-L197 HydrophobicContact CG-CD2 3.65Å; L197-F201 HydrophobicContact CB-CB 4.22Å; L197-F201 HydrophobicContact CB-CD1 4.18Å; L197-F201 HydrophobicContact CB-CG 4.39Å; L197-F201 HydrophobicContact CD1-CD1 3.65Å; L197-F201 HydrophobicContact CD1-CE1 3.77Å; L197-F201 HydrophobicContact CD2-CD1 3.87Å; L197-F201 HydrophobicContact CD2-CD2 4.43Å; L197-F201 HydrophobicContact CD2-CE1 4.02Å; L197-F201 HydrophobicContact CD2-CG 4.07Å; L197-F201 HydrophobicContact CD2-CZ 4.39Å; L197-F201 HydrophobicContact CG-CD1 4.08Å; L197-F201 HydrophobicContact CG-CE1 4.43Å; L197-F202 HydrophobicContact CB-CD2 4.5Å; L197-F202 HydrophobicContact CB-CE2 3.7Å; L197-F202 HydrophobicContact CB-CZ 4.04Å; L197-F202 HydrophobicContact CD1-CZ 4.1Å; L197-E265 WeakPolarHBondContact CA-OE1 3.44Å
198S97.3Very high92.5Very high10 Ų1038.1 Ų38.17%0.0719%0.192CC..  trans-74.7161.6176.178.80000111.9G200 F201 F202 E265S198-G200 PolarHBondContact O-N 3.38Å; S198-G200 WeakPolarHBondContact OG-CA 3.39Å; S198-G200 PolarHBondContact OG-N 3.03Å; S198-G200 VanDerWaalsContact OG-N 3.12Å; S198-F201 WeakPolarHBondContact O-CB 3.25Å; S198-F201 PolarHBondContact O-N 3.04Å; S198-F201 VanDerWaalsContact O-N 3.08Å; S198-F201 PolarHBondContact OG-N 3.42Å; S198-F202 WeakPolarHBondContact O-CD2 3.47Å; S198-F202 PolarHBondContact O-N 3.37Å; S198-E265 WeakPolarHBondContact CB-OE2 3.38Å; S198-E265 PolarHBondContact N-OE1 2.52Å; S198-E265 PolarHBondContact OG-OE2 2.82Å
199T98.4Very high92.9Very high12 Ų1234.5 Ų34.57%0.07418%0.177CC..Hα-helixtrans-59.6-30.4167.2-57.20000111.3M89 N90 V109 W137 F201 F202 T203M89-T199 HydrophobicContact CB-CG2 3.96Å; M89-T199 HydrophobicContact CG-CG2 4.01Å; M89-T199 HydrophobicContact SD-CG2 4.36Å; N90-T199 PolarHBondContact ND2-OG1 3.14Å; N90-T199 PolarHBondContact OD1-OG1 2.04Å; V109-T199 HydrophobicContact CB-CG2 4.2Å; V109-T199 HydrophobicContact CG1-CG2 3.95Å; V109-T199 WeakPolarHBondContact O-CG2 3.34Å; W137-T199 PolarHBondContact NE1-OG1 2.93Å; W137-T199 VanDerWaalsContact NE1-OG1 3.1Å; T199-F201 VanDerWaalsContact C-N 3.3Å; T199-F201 PolarHBondContact O-N 3.36Å; T199-F202 PolarHBondContact O-N 3.31Å; T199-T203 WeakPolarHBondContact O-CB 3.5Å; T199-T203 PolarHBondContact O-N 2.97Å; T199-T203 PolarHBondContact O-OG1 2.78Å
200G98.3Very high93.3Very high9 Ų932.3 Ų32.39%0.09317%0.165CC..Hα-helixtrans-58.4-41.617300000112.1M89 S198 T203 M204M89-G200 VanDerWaalsContact SD-CA 3.58Å; S198-G200 PolarHBondContact O-N 3.38Å; S198-G200 WeakPolarHBondContact OG-CA 3.39Å; S198-G200 PolarHBondContact OG-N 3.03Å; S198-G200 VanDerWaalsContact OG-N 3.12Å; G200-T203 CarbonylContact O-C 3.49Å; G200-T203 WeakPolarHBondContact O-CB 3.38Å; G200-T203 PolarHBondContact O-N 3.28Å; G200-T203 VanDerWaalsContact O-N 3.16Å; G200-M204 WeakPolarHBondContact O-CG 3.07Å; G200-M204 PolarHBondContact O-N 3.39Å
201F98.6Very high93.8Very high0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-64.3-47.7-180-165.3-94.9000112.4C178 V181 F182 L197 S198 T199 T203 M204 I205 E265 I268 Y269 W272C178-F201 HydrophobicContact CB-CE1 4.33Å; V181-F201 HydrophobicContact CG1-CZ 4.06Å; F182-F201 HydrophobicContact CB-CE1 4.3Å; F182-F201 HydrophobicContact CB-CZ 3.91Å; F182-F201 HydrophobicContact CD2-CE2 4.2Å; F182-F201 HydrophobicContact CD2-CZ 4.29Å; L197-F201 HydrophobicContact CB-CB 4.22Å; L197-F201 HydrophobicContact CB-CD1 4.18Å; L197-F201 HydrophobicContact CB-CG 4.39Å; L197-F201 HydrophobicContact CD1-CD1 3.65Å; L197-F201 HydrophobicContact CD1-CE1 3.77Å; L197-F201 HydrophobicContact CD2-CD1 3.87Å; L197-F201 HydrophobicContact CD2-CD2 4.43Å; L197-F201 HydrophobicContact CD2-CE1 4.02Å; L197-F201 HydrophobicContact CD2-CG 4.07Å; L197-F201 HydrophobicContact CD2-CZ 4.39Å; L197-F201 HydrophobicContact CG-CD1 4.08Å; L197-F201 HydrophobicContact CG-CE1 4.43Å; S198-F201 WeakPolarHBondContact O-CB 3.25Å; S198-F201 PolarHBondContact O-N 3.04Å; S198-F201 VanDerWaalsContact O-N 3.08Å; S198-F201 PolarHBondContact OG-N 3.42Å; T199-F201 VanDerWaalsContact C-N 3.3Å; T199-F201 PolarHBondContact O-N 3.36Å; F201-T203 PolarHBondContact O-N 3.47Å; F201-M204 PolarHBondContact O-N 3.29Å; F201-I205 HydrophobicContact CD1-CD1 3.79Å; F201-I205 HydrophobicContact CE1-CD1 3.41Å; F201-I205 VanDerWaalsContact CE1-CD1 3.41Å; F201-I205 HydrophobicContact CE1-CG1 4.4Å; F201-I205 HydrophobicContact CZ-CD1 4.12Å; F201-I205 PolarHBondContact O-N 3.32Å; F201-I205 VanDerWaalsContact O-N 3.08Å; F201-E265 HydrophobicContact CD2-CB 4.37Å; F201-E265 HydrophobicContact CD2-CG 3.77Å; F201-E265 HydrophobicContact CE2-CG 4.46Å; F201-E265 HydrophobicContact CG-CG 4.46Å; F201-I268 HydrophobicContact CE2-CD1 4.01Å; F201-I268 HydrophobicContact CE2-CG2 4.45Å; F201-Y269 WeakPolarHBondContact CA-OH 3.45Å; F201-Y269 WeakPolarHBondContact CB-OH 3.28Å; F201-Y269 AromaticContact CD2-CE1 3.75Å; F201-Y269 HydrophobicContact CD2-CE1 3.75Å; F201-Y269 HydrophobicContact CE2-CE1 4.32Å; F201-Y269 PolarHBondContact N-OH 2.72Å; F201-Y269 VanDerWaalsContact N-OH 3.09Å; F201-W272 HydrophobicContact CD2-CH2 4.39Å; F201-W272 AromaticContact CE2-CH2 3.72Å; F201-W272 HydrophobicContact CE2-CH2 3.72Å; F201-W272 HydrophobicContact CE2-CZ2 4.36Å; F201-W272 HydrophobicContact CE2-CZ3 4.48Å; F201-W272 AromaticContact CZ-CH2 3.88Å; F201-W272 HydrophobicContact CZ-CH2 3.88Å; F201-W272 HydrophobicContact CZ-CZ2 4.38Å
202F98.6Very high94.5Very high6 Ų630.8 Ų30.83%0.02616%0.162CC..Hα-helixtrans-61.5-36.1173.5-66-76.7000112.1V109 W137 I175 C178 L197 S198 T199 L206V109-F202 HydrophobicContact CG1-CB 4.47Å; W137-F202 AromaticContact CD2-CD2 3.48Å; W137-F202 HydrophobicContact CD2-CD2 3.48Å; W137-F202 VanDerWaalsContact CD2-CD2 3.48Å; W137-F202 AromaticContact CD2-CE2 3.5Å; W137-F202 HydrophobicContact CD2-CE2 3.5Å; W137-F202 VanDerWaalsContact CD2-CE2 3.5Å; W137-F202 HydrophobicContact CD2-CG 4.14Å; W137-F202 HydrophobicContact CD2-CZ 4.13Å; W137-F202 AromaticContact CE2-CD2 3.51Å; W137-F202 AromaticContact CE2-CE2 3.73Å; W137-F202 AromaticContact CE3-CD2 3.78Å; W137-F202 HydrophobicContact CE3-CD2 3.78Å; W137-F202 HydrophobicContact CE3-CE1 4.37Å; W137-F202 AromaticContact CE3-CE2 3.24Å; W137-F202 HydrophobicContact CE3-CE2 3.24Å; W137-F202 AromaticContact CE3-CZ 3.58Å; W137-F202 HydrophobicContact CE3-CZ 3.58Å; W137-F202 AromaticContact CG-CD2 3.96Å; W137-F202 HydrophobicContact CG-CD2 3.96Å; W137-F202 HydrophobicContact CG-CE2 4.34Å; W137-F202 HydrophobicContact CG-CG 4.17Å; W137-F202 HydrophobicContact CH2-CD2 4.11Å; W137-F202 AromaticContact CH2-CE2 3.52Å; W137-F202 HydrophobicContact CH2-CE2 3.52Å; W137-F202 HydrophobicContact CH2-CZ 4.43Å; W137-F202 AromaticContact CZ2-CD2 3.84Å; W137-F202 HydrophobicContact CZ2-CD2 3.84Å; W137-F202 AromaticContact CZ2-CE2 3.75Å; W137-F202 HydrophobicContact CZ2-CE2 3.75Å; W137-F202 HydrophobicContact CZ3-CD2 4.09Å; W137-F202 AromaticContact CZ3-CE2 3.26Å; W137-F202 HydrophobicContact CZ3-CE2 3.26Å; W137-F202 AromaticContact CZ3-CZ 3.76Å; W137-F202 HydrophobicContact CZ3-CZ 3.76Å; W137-F202 AromaticContact NE1-CD2 3.95Å; I175-F202 HydrophobicContact CD1-CD1 4.34Å; I175-F202 HydrophobicContact CD1-CE1 3.54Å; I175-F202 HydrophobicContact CD1-CZ 3.94Å; C178-F202 HydrophobicContact CB-CD1 4.18Å; C178-F202 HydrophobicContact CB-CE1 3.71Å; L197-F202 HydrophobicContact CB-CD2 4.5Å; L197-F202 HydrophobicContact CB-CE2 3.7Å; L197-F202 HydrophobicContact CB-CZ 4.04Å; L197-F202 HydrophobicContact CD1-CZ 4.1Å; S198-F202 WeakPolarHBondContact O-CD2 3.47Å; S198-F202 PolarHBondContact O-N 3.37Å; T199-F202 PolarHBondContact O-N 3.31Å; F202-L206 WeakPolarHBondContact O-CB 3.44Å; F202-L206 PolarHBondContact O-N 3.15Å
203T98.8Very high95.2Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-68.2-42.5178.2-560000111.8V64 I87 M89 V109 T199 G200 F201 L206 A207V64-T203 HydrophobicContact CG1-CG2 3.92Å; I87-T203 HydrophobicContact CG2-CG2 3.6Å; M89-T203 HydrophobicContact CE-CG2 4.09Å; M89-T203 HydrophobicContact CG-CG2 4.36Å; V109-T203 WeakPolarHBondContact CB-OG1 3.28Å; V109-T203 HydrophobicContact CG2-CG2 4.09Å; T199-T203 WeakPolarHBondContact O-CB 3.5Å; T199-T203 PolarHBondContact O-N 2.97Å; T199-T203 PolarHBondContact O-OG1 2.78Å; G200-T203 CarbonylContact O-C 3.49Å; G200-T203 WeakPolarHBondContact O-CB 3.38Å; G200-T203 PolarHBondContact O-N 3.28Å; G200-T203 VanDerWaalsContact O-N 3.16Å; F201-T203 PolarHBondContact O-N 3.47Å; T203-L206 PolarHBondContact O-N 3.45Å; T203-A207 VanDerWaalsContact O-CB 3.28Å; T203-A207 WeakPolarHBondContact O-CB 3.12Å; T203-A207 PolarHBondContact O-N 2.97Å
204M98.8Very high96.2Very high1 Ų124.3 Ų24.31%0.00513%0.126CC..Hα-helixtrans-65.2-43178-71.3-57.1-64.500111.3V64 G200 F201 A207 M208 V216 Y269 W272 I278V64-M204 HydrophobicContact CG1-SD 4.46Å; G200-M204 WeakPolarHBondContact O-CG 3.07Å; G200-M204 PolarHBondContact O-N 3.39Å; F201-M204 PolarHBondContact O-N 3.29Å; M204-A207 PolarHBondContact O-N 3.4Å; M204-M208 VanDerWaalsContact O-CG 3.32Å; M204-M208 WeakPolarHBondContact O-CG 3.18Å; M204-M208 PolarHBondContact O-N 3.35Å; M204-V216 HydrophobicContact CE-CG2 3.96Å; M204-V216 HydrophobicContact SD-CG2 3.88Å; M204-Y269 HydrophobicContact CB-CD1 4.39Å; M204-Y269 HydrophobicContact CB-CE1 4.02Å; M204-Y269 HydrophobicContact CG-CD1 4.12Å; M204-Y269 HydrophobicContact CG-CE1 3.83Å; M204-Y269 HydrophobicContact CG-CE2 4.36Å; M204-W272 HydrophobicContact CB-CZ3 3.98Å; M204-I278 HydrophobicContact CE-CD1 4.12Å; M204-I278 HydrophobicContact CE-CG2 4.06Å
205I98.6Very high97.1Very high4 Ų423 Ų232%0.02111%0.112CC..Hα-helixtrans-60.1-49.7174.4-70.5175.4000110.7Y177 C178 V181 F201 A207 M208 E209 W272Y177-I205 HydrophobicContact CE1-CG2 4.13Å; C178-I205 HydrophobicContact CB-CD1 3.93Å; V181-I205 HydrophobicContact CB-CD1 4.42Å; V181-I205 HydrophobicContact CG1-CD1 4.33Å; F201-I205 HydrophobicContact CD1-CD1 3.79Å; F201-I205 HydrophobicContact CE1-CD1 3.41Å; F201-I205 VanDerWaalsContact CE1-CD1 3.41Å; F201-I205 HydrophobicContact CE1-CG1 4.4Å; F201-I205 HydrophobicContact CZ-CD1 4.12Å; F201-I205 PolarHBondContact O-N 3.32Å; F201-I205 VanDerWaalsContact O-N 3.08Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.47Å; I205-M208 HydrophobicContact CG1-CE 4.29Å; I205-M208 PolarHBondContact O-N 3Å; I205-E209 WeakPolarHBondContact O-CG 3.44Å; I205-E209 PolarHBondContact O-N 3Å; I205-W272 HydrophobicContact CD1-CH2 4.48Å; I205-W272 HydrophobicContact CG1-CH2 3.96Å; I205-W272 HydrophobicContact CG1-CZ3 4.4Å
206L98.6Very high97.6Very high1 Ų122.9 Ų22.91%0.00511%0.111CC..Hα-helixtrans-60.5-43.1178.3175.257.6000111.9L40 Y43 L55 M107 V109 V135 F202 T203 M208 E209 M210L40-L206 HydrophobicContact CD1-CD1 3.86Å; Y43-L206 HydrophobicContact CD1-CD1 4.44Å; Y43-L206 HydrophobicContact CD2-CD1 4.29Å; Y43-L206 HydrophobicContact CE1-CB 4.37Å; Y43-L206 HydrophobicContact CE1-CD1 3.97Å; Y43-L206 HydrophobicContact CE1-CD2 4.39Å; Y43-L206 HydrophobicContact CE1-CG 4.48Å; Y43-L206 HydrophobicContact CE2-CD1 3.82Å; L55-L206 HydrophobicContact CD2-CD1 4.08Å; M107-L206 HydrophobicContact SD-CD2 3.48Å; M107-L206 WeakPolarHBondContact SD-CD2 3.45Å; M107-L206 HydrophobicContact SD-CG 4.2Å; V109-L206 HydrophobicContact CG2-CD2 3.99Å; V135-L206 HydrophobicContact CB-CD2 4.29Å; V135-L206 HydrophobicContact CG1-CD2 4.26Å; V135-L206 HydrophobicContact CG2-CD2 3.97Å; F202-L206 WeakPolarHBondContact O-CB 3.44Å; F202-L206 PolarHBondContact O-N 3.15Å; T203-L206 PolarHBondContact O-N 3.45Å; L206-M208 PolarHBondContact O-N 3.4Å; L206-E209 PolarHBondContact O-N 3.37Å; L206-M210 HydrophobicContact CD1-SD 4.25Å; L206-M210 HydrophobicContact CG-SD 4.17Å; L206-M210 VanDerWaalsContact O-CG 3.28Å; L206-M210 WeakPolarHBondContact O-CG 3.41Å; L206-M210 PolarHBondContact O-N 3.46Å; L206-M210 VanDerWaalsContact O-N 3.16Å
207A98.6Very high98.2Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-61.4-43.3177.500000111.6V64 I87 T203 M204 I205 E209 M210 C211 I214V64-A207 HydrophobicContact CG2-CB 3.98Å; I87-A207 HydrophobicContact CD1-CB 4.02Å; T203-A207 VanDerWaalsContact O-CB 3.28Å; T203-A207 WeakPolarHBondContact O-CB 3.12Å; T203-A207 PolarHBondContact O-N 2.97Å; M204-A207 PolarHBondContact O-N 3.4Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.47Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.46Å; A207-M210 PolarHBondContact O-N 3.38Å; A207-C211 WeakPolarHBondContact O-CB 3.34Å; A207-C211 PolarHBondContact O-N 3.05Å; A207-C211 PolarHBondContact O-SG 3.46Å; A207-I214 HydrophobicContact CB-CD1 3.77Å; A207-I214 HydrophobicContact CB-CG1 4.28Å
208M98.2Very high98.3Very high51 Ų5118.2 Ų18.225%0.2519%0.091SC..Hα-helixtrans-65.4-28.9176.4-70.2-175-57.400113.2M204 I205 L206 I214 W272 I278M204-M208 VanDerWaalsContact O-CG 3.32Å; M204-M208 WeakPolarHBondContact O-CG 3.18Å; M204-M208 PolarHBondContact O-N 3.35Å; I205-M208 HydrophobicContact CG1-CE 4.29Å; I205-M208 PolarHBondContact O-N 3Å; L206-M208 PolarHBondContact O-N 3.4Å; M208-I214 HydrophobicContact CB-CD1 4.46Å; M208-I214 HydrophobicContact CG-CD1 3.83Å; M208-W272 HydrophobicContact CE-CD2 3.77Å; M208-W272 HydrophobicContact CE-CE3 3.33Å; M208-W272 HydrophobicContact CE-CH2 3.81Å; M208-W272 HydrophobicContact CE-CZ2 4.19Å; M208-W272 HydrophobicContact CE-CZ3 3.36Å; M208-W272 HydrophobicContact SD-CB 4.3Å; M208-W272 HydrophobicContact SD-CD2 3.96Å; M208-W272 HydrophobicContact SD-CE3 3.71Å; M208-W272 HydrophobicContact SD-CG 4.25Å; M208-W272 HydrophobicContact SD-CZ3 4.33Å; M208-I278 HydrophobicContact CG-CD1 4.15Å; M208-I278 HydrophobicContact SD-CD1 3.99Å
209E97.1Very high98.4Very high62 Ų6218.1 Ų18.129%0.299%0.089SC..Hα-helixtrans-78.3-21.9177.3-71178.2162.500113.2L40 Y43 K174 I205 L206 A207L40-E209 HydrophobicContact CD2-CB 4.24Å; L40-E209 WeakPolarHBondContact CD2-O 3.2Å; Y43-E209 WeakPolarHBondContact CE2-OE2 3.38Å; Y43-E209 PolarHBondContact OH-OE2 3.17Å; K174-E209 VanDerWaalsContact NZ-CD 3.31Å; K174-E209 IonicContact NZ-OE1 2.62Å; K174-E209 PolarHBondContact NZ-OE1 3.02Å; K174-E209 IonicContact NZ-OE2 2.78Å; K174-E209 PolarHBondContact NZ-OE2 3.03Å; K174-E209 VanDerWaalsContact NZ-OE2 3.16Å; I205-E209 WeakPolarHBondContact O-CG 3.44Å; I205-E209 PolarHBondContact O-N 3Å; L206-E209 PolarHBondContact O-N 3.37Å; A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 PolarHBondContact O-N 3.46Å
210M96.8Very high98.3Very high4 Ų417.6 Ų17.62%0.029%0.086CC..Hα-helixtrans-119.1-11.6-171.478.4177-8400115.3L40 V57 H58 C59 I87 M107 L206 A207L40-M210 HydrophobicContact CD1-CB 3.76Å; V57-M210 HydrophobicContact CB-CE 4.27Å; V57-M210 HydrophobicContact CG1-CB 4.14Å; V57-M210 HydrophobicContact CG1-CE 3.65Å; V57-M210 HydrophobicContact CG1-SD 4.03Å; V57-M210 HydrophobicContact CG2-CE 3.6Å; H58-M210 CarbonylContact C-O 3.59Å; H58-M210 WeakPolarHBondContact CA-O 3.46Å; C59-M210 HydrophobicContact CB-CE 4.37Å; C59-M210 PolarHBondContact N-O 2.84Å; I87-M210 HydrophobicContact CD1-SD 4.25Å; M107-M210 HydrophobicContact CE-CE 3.69Å; M107-M210 HydrophobicContact CE-SD 3.6Å; M107-M210 HydrophobicContact SD-SD 3.88Å; L206-M210 HydrophobicContact CD1-SD 4.25Å; L206-M210 HydrophobicContact CG-SD 4.17Å; L206-M210 VanDerWaalsContact O-CG 3.28Å; L206-M210 WeakPolarHBondContact O-CG 3.41Å; L206-M210 PolarHBondContact O-N 3.46Å; L206-M210 VanDerWaalsContact O-N 3.16Å; A207-M210 PolarHBondContact O-N 3.38Å
211C98.1Very high98.3Very high14 Ų1417.7 Ų17.710%0.0958%0.084CC..EExtended strand (participates in β ladder)trans-120.1137.4-170.3-48.40000112.9C59 C62 A207 I214C59-C211 WeakPolarHBondContact O-CA 3.49Å; C62-C211 HydrophobicContact CB-CB 3.75Å; C62-C211 WeakPolarHBondContact CB-SG 3.41Å; C62-C211 WeakPolarHBondContact SG-CB 3.41Å; C62-C211 CovalentContact SG-SG 2.01Å; C62-C211 PolarHBondContact SG-SG 3.31Å; A207-C211 WeakPolarHBondContact O-CB 3.34Å; A207-C211 PolarHBondContact O-N 3.05Å; A207-C211 PolarHBondContact O-SG 3.46Å; C211-I214 HydrophobicContact CB-CD1 4.42Å; C211-I214 HydrophobicContact CB-CG1 3.79Å
212D97.8Very high98.2Very high97 Ų9719.8 Ų19.852%0.51910%0.096SC..EExtended strand (participates in β ladder)trans-77-35.2173.6-53.1-31.6000111.9H58 C59 S60H58-D212 IonicContact CD2-OD1 3.85Å; H58-D212 IonicContact CE1-OD1 3.64Å; H58-D212 IonicContact CE1-OD2 3.39Å; H58-D212 PolarHBondContact CE1-OD2 3.02Å; H58-D212 IonicContact NE2-OD1 3.22Å; H58-D212 PolarHBondContact NE2-OD1 3.14Å; H58-D212 IonicContact NE2-OD2 2.78Å; H58-D212 PolarHBondContact NE2-OD2 3.05Å; C59-D212 PolarHBondContact O-N 2.79Å; C59-D212 VanDerWaalsContact O-N 3.09Å; S60-D212 WeakPolarHBondContact CA-OD2 3.26Å; S60-D212 WeakPolarHBondContact O-CB 3.3Å
213R98.5Very high98.1Very high102 Ų10225.9 Ų25.939%0.38512%0.122SC..EExtended strand (participates in β ladder)trans-133.1140.8174.9-177.7173.872.8-177.9-0.5110.8S60 H61 C62S60-R213 PolarHBondContact O-N 2.9Å; S60-R213 VanDerWaalsContact O-N 3.13Å; H61-R213 WeakPolarHBondContact CA-O 3.19Å; H61-R213 PolarHBondContact CD2-NE 3.45Å; H61-R213 PolarHBondContact CD2-O 3.22Å; H61-R213 PolarHBondContact CE1-NH2 2.82Å; H61-R213 PolarHBondContact ND1-NH2 2.81Å; H61-R213 PolarHBondContact NE2-NE 3.42Å; C62-R213 PolarHBondContact N-O 2.86Å
214I98.9Very high98Very high5 Ų526.9 Ų26.93%0.02613%0.126CC..EExtended strand (participates in β ladder)trans-124.5128.6179.2-56.6167.1000109.5C62 V64 A207 M208 C211 V216 N277 I278 Q279C62-I214 CarbonylContact O-C 3.6Å; C62-I214 WeakPolarHBondContact O-CA 3.39Å; V64-I214 HydrophobicContact CG2-CG2 3.86Å; A207-I214 HydrophobicContact CB-CD1 3.77Å; A207-I214 HydrophobicContact CB-CG1 4.28Å; M208-I214 HydrophobicContact CB-CD1 4.46Å; M208-I214 HydrophobicContact CG-CD1 3.83Å; C211-I214 HydrophobicContact CB-CD1 4.42Å; C211-I214 HydrophobicContact CB-CG1 3.79Å; I214-V216 HydrophobicContact CG2-CG2 3.88Å; I214-N277 PolarHBondContact N-O 3.36Å; I214-I278 HydrophobicContact CB-CG1 4.25Å; I214-I278 HydrophobicContact CB-CG2 4.41Å; I214-I278 HydrophobicContact CD1-CG1 4.16Å; I214-I278 HydrophobicContact CG2-CG2 4.38Å; I214-I278 CarbonylContact O-C 3.16Å; I214-I278 WeakPolarHBondContact O-CA 3.36Å; I214-Q279 PolarHBondContact O-N 3.48Å
215T98.9Very high97.9Very high4 Ų427.1 Ų27.13%0.02513%0.128CC..EExtended strand (participates in β ladder)trans-115119.2165.9-52.80000108.8H61 C62 A63 V64 Y217 Q279 K281H61-T215 PolarHBondContact NE2-OG1 3.31Å; C62-T215 PolarHBondContact O-N 3.28Å; A63-T215 CarbonylContact C-O 3.58Å; A63-T215 VanDerWaalsContact CA-O 3.3Å; A63-T215 WeakPolarHBondContact CA-O 3.3Å; V64-T215 PolarHBondContact N-O 2.94Å; T215-Y217 HydrophobicContact CG2-CD2 4.13Å; T215-Y217 HydrophobicContact CG2-CE1 4.33Å; T215-Y217 HydrophobicContact CG2-CE2 3.44Å; T215-Y217 VanDerWaalsContact CG2-CE2 3.44Å; T215-Q279 CarbonylContact C-O 3.55Å; T215-Q279 WeakPolarHBondContact CA-O 3.41Å; T215-K281 HydrophobicContact CG2-CD 3.95Å; T215-K281 HydrophobicContact CG2-CG 4.05Å
216V98.9Very high97.7Very high0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-99125.2179.7-172.80000108.8V64 M204 I214 M219 I278 Q279 F280 K281V64-V216 HydrophobicContact CB-CG1 4.46Å; V64-V216 HydrophobicContact CB-CG2 4.27Å; V64-V216 HydrophobicContact CG1-CG1 4.41Å; V64-V216 CarbonylContact O-C 3.52Å; V64-V216 WeakPolarHBondContact O-CA 3.44Å; M204-V216 HydrophobicContact CE-CG2 3.96Å; M204-V216 HydrophobicContact SD-CG2 3.88Å; I214-V216 HydrophobicContact CG2-CG2 3.88Å; V216-M219 HydrophobicContact CG1-CB 3.91Å; V216-M219 HydrophobicContact CG1-CE 3.8Å; V216-M219 HydrophobicContact CG1-SD 4.26Å; V216-I278 HydrophobicContact CG2-CG2 3.99Å; V216-Q279 PolarHBondContact N-O 3.29Å; V216-F280 HydrophobicContact CB-CD1 3.54Å; V216-F280 HydrophobicContact CB-CE1 3.68Å; V216-F280 HydrophobicContact CB-CG 4.34Å; V216-F280 HydrophobicContact CG1-CD1 3.83Å; V216-F280 HydrophobicContact CG1-CE1 3.83Å; V216-F280 HydrophobicContact CG2-CD1 4.08Å; V216-F280 HydrophobicContact CG2-CE1 3.75Å; V216-F280 HydrophobicContact CG2-CZ 4.26Å; V216-F280 CarbonylContact O-C 3.56Å; V216-F280 WeakPolarHBondContact O-CA 3.42Å; V216-K281 PolarHBondContact O-N 3.1Å
217Y98.9Very high97.5Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-109.6138.1-179.4-65.5-98.1000110.4A63 V64 S66 A76 E79 I80 T215 K281 H282A63-Y217 HydrophobicContact CB-CD2 4.21Å; A63-Y217 HydrophobicContact CB-CE2 3.78Å; V64-Y217 PolarHBondContact O-N 2.78Å; S66-Y217 VanDerWaalsContact CB-O 3.31Å; S66-Y217 WeakPolarHBondContact CB-O 3.43Å; S66-Y217 PolarHBondContact N-O 2.74Å; A76-Y217 HydrophobicContact CB-CD1 4.09Å; A76-Y217 HydrophobicContact CB-CE1 4.19Å; E79-Y217 VanDerWaalsContact CD-OH 3.23Å; E79-Y217 PolarHBondContact OE1-OH 3.21Å; I80-Y217 HydrophobicContact CD1-CD1 4.01Å; I80-Y217 HydrophobicContact CD1-CD2 4.41Å; I80-Y217 HydrophobicContact CD1-CE1 4.41Å; I80-Y217 HydrophobicContact CD1-CG 4.02Å; I80-Y217 HydrophobicContact CG1-CD1 3.92Å; I80-Y217 HydrophobicContact CG1-CD2 3.97Å; I80-Y217 HydrophobicContact CG1-CE1 3.86Å; I80-Y217 HydrophobicContact CG1-CE2 3.88Å; I80-Y217 HydrophobicContact CG1-CG 3.98Å; T215-Y217 HydrophobicContact CG2-CD2 4.13Å; T215-Y217 HydrophobicContact CG2-CE1 4.33Å; T215-Y217 HydrophobicContact CG2-CE2 3.44Å; T215-Y217 VanDerWaalsContact CG2-CE2 3.44Å; Y217-K281 WeakPolarHBondContact CA-O 3.46Å; Y217-K281 HydrophobicContact CD1-CB 4.02Å; Y217-K281 HydrophobicContact CE1-CB 4.1Å; Y217-K281 HydrophobicContact CE1-CD 3.91Å; Y217-H282 AromaticContact CD1-CD2 3.91Å
218G98.3Very high97.1Very high0 Ų041.3 Ų41.30%022%0.218CC..SBendtrans76.932.1171.600000112.7S66 S68 M71 K281 H282S66-G218 WeakPolarHBondContact CB-O 3.33Å; S66-G218 PolarHBondContact OG-O 3.34Å; S68-G218 WeakPolarHBondContact CB-O 3.39Å; M71-G218 WeakPolarHBondContact SD-CA 3.44Å; M71-G218 PolarHBondContact SD-N 2.92Å; G218-K281 PolarHBondContact N-O 2.93Å; G218-H282 WeakPolarHBondContact CA-O 3.37Å; G218-H282 PolarHBondContact N-O 3.41Å
219M98.3Very high96.6Very high9 Ų946.6 Ų46.64%0.04425%0.247CC..  trans-124127178.3-162.5-179-7200108.9V216 Y269 F280 P283 W285V216-M219 HydrophobicContact CG1-CB 3.91Å; V216-M219 HydrophobicContact CG1-CE 3.8Å; V216-M219 HydrophobicContact CG1-SD 4.26Å; M219-Y269 HydrophobicContact CE-CE2 4.34Å; M219-Y269 HydrophobicContact SD-CD2 3.64Å; M219-Y269 HydrophobicContact SD-CE2 3.88Å; M219-F280 HydrophobicContact CB-CD1 4.32Å; M219-F280 HydrophobicContact SD-CE1 4Å; M219-P283 WeakPolarHBondContact O-CD 3.46Å; M219-W285 HydrophobicContact CB-CZ2 4.28Å; M219-W285 HydrophobicContact CG-CZ2 3.89Å; M219-W285 PolarHBondContact O-NE1 3.17Å; M219-W285 HydrophobicContact SD-CH2 4.31Å; M219-W285 HydrophobicContact SD-CZ2 4.01Å
220I97.8Very high96.4Very high1 Ų146.4 Ų46.41%0.00525%0.246CC..  trans-83.6153172.165.7175.4000111.1Q70 Y224 C225 E245 Y249 K266 P283 W285Q70-I220 HydrophobicContact CG-CG2 3.56Å; I220-Y224 HydrophobicContact CB-CD1 3.93Å; I220-Y224 HydrophobicContact CB-CD2 3.99Å; I220-Y224 HydrophobicContact CB-CG 3.62Å; I220-Y224 HydrophobicContact CD1-CD1 3.69Å; I220-Y224 HydrophobicContact CD1-CE1 4.48Å; I220-Y224 HydrophobicContact CD1-CG 4.09Å; I220-Y224 HydrophobicContact CG1-CD1 4.41Å; I220-Y224 HydrophobicContact CG1-CG 4.39Å; I220-Y224 HydrophobicContact CG2-CD1 3.76Å; I220-Y224 HydrophobicContact CG2-CD2 3.94Å; I220-Y224 HydrophobicContact CG2-CE1 3.89Å; I220-Y224 HydrophobicContact CG2-CE2 4.1Å; I220-Y224 HydrophobicContact CG2-CG 3.79Å; I220-C225 WeakPolarHBondContact CD1-SG 3.26Å; I220-E245 HydrophobicContact CD1-CG 4.25Å; I220-E245 WeakPolarHBondContact CG2-OE2 3.34Å; I220-Y249 HydrophobicContact CD1-CD2 3.8Å; I220-Y249 HydrophobicContact CD1-CE2 3.69Å; I220-Y249 HydrophobicContact CG1-CD2 4.35Å; I220-Y249 HydrophobicContact CG1-CE2 3.86Å; I220-K266 HydrophobicContact CG1-CD 4.32Å; I220-K266 WeakPolarHBondContact O-CD 3.45Å; I220-K266 WeakPolarHBondContact O-CE 3.47Å; I220-K266 WeakPolarHBondContact O-CG 3.4Å; I220-P283 HydrophobicContact CG2-CG 4.06Å; I220-W285 VanDerWaalsContact C-CZ2 3.44Å; I220-W285 WeakPolarHBondContact O-CZ2 3.5Å
221D97.8Very high96.1Very high10 Ų1049.6 Ų49.65%0.05327%0.269CS..  trans-75.6171.3173.766.370.3000112.9K223 Y224 R227 W285D221-K223 PolarHBondContact O-N 2.95Å; D221-K223 WeakPolarHBondContact OD1-CA 3.34Å; D221-K223 PolarHBondContact OD1-N 2.82Å; D221-Y224 WeakPolarHBondContact O-CB 3.38Å; D221-Y224 PolarHBondContact O-N 3.46Å; D221-Y224 PolarHBondContact OD1-N 3.22Å; D221-R227 IonicContact OD1-CZ 3.13Å; D221-R227 IonicContact OD1-NH1 2.8Å; D221-R227 PolarHBondContact OD1-NH1 3.43Å; D221-R227 IonicContact OD1-NH2 2.59Å; D221-R227 PolarHBondContact OD1-NH2 2.91Å; D221-R227 IonicContact OD2-CZ 3.66Å; D221-R227 IonicContact OD2-NH1 3.87Å; D221-R227 PolarHBondContact OD2-NH1 3.34Å; D221-R227 IonicContact OD2-NH2 2.89Å; D221-R227 PolarHBondContact OD2-NH2 3.24Å; D221-W285 HydrophobicContact CB-CD2 3.62Å; D221-W285 HydrophobicContact CB-CE3 3.93Å; D221-W285 HydrophobicContact CB-CG 3.95Å; D221-W285 HydrophobicContact CB-CZ2 4.25Å; D221-W285 HydrophobicContact CB-CZ3 4.36Å
222D96.8Very high95.9Very high45 Ų4554.1 Ų54.124%0.24129%0.292CS..THydrogen-bonded Turntrans-64.4-21.3-176.365.1-54000114I263 K266 A267D222-I263 HydrophobicContact CB-CG2 4.07Å; D222-I263 WeakPolarHBondContact O-CG2 3.27Å; D222-K266 HydrophobicContact CB-CB 4Å; D222-A267 HydrophobicContact CB-CB 4.02Å
223K96.4Very high95.8Very high134 Ų13450.7 Ų50.758%0.58327%0.274SS*.THydrogen-bonded Turntrans-101.1-11.2-178.4-60.8176.7-172.61710112.9D221 C225 S226 R227D221-K223 PolarHBondContact O-N 2.95Å; D221-K223 WeakPolarHBondContact OD1-CA 3.34Å; D221-K223 PolarHBondContact OD1-N 2.82Å; K223-C225 PolarHBondContact O-N 3.15Å; K223-S226 PolarHBondContact O-N 3.3Å; K223-R227 PolarHBondContact O-N 3.18Å
224Y96.8Very high95.7Very high21 Ų2146.7 Ų46.78%0.08226%0.262CS..G310 helixtrans-52.9-50.6-172.1-174.7-83.1000112.7Q70 I220 D221 S226 R227 H230 S231 P283Q70-Y224 PolarHBondContact NE2-OH 3.17Å; I220-Y224 HydrophobicContact CB-CD1 3.93Å; I220-Y224 HydrophobicContact CB-CD2 3.99Å; I220-Y224 HydrophobicContact CB-CG 3.62Å; I220-Y224 HydrophobicContact CD1-CD1 3.69Å; I220-Y224 HydrophobicContact CD1-CE1 4.48Å; I220-Y224 HydrophobicContact CD1-CG 4.09Å; I220-Y224 HydrophobicContact CG1-CD1 4.41Å; I220-Y224 HydrophobicContact CG1-CG 4.39Å; I220-Y224 HydrophobicContact CG2-CD1 3.76Å; I220-Y224 HydrophobicContact CG2-CD2 3.94Å; I220-Y224 HydrophobicContact CG2-CE1 3.89Å; I220-Y224 HydrophobicContact CG2-CE2 4.1Å; I220-Y224 HydrophobicContact CG2-CG 3.79Å; D221-Y224 WeakPolarHBondContact O-CB 3.38Å; D221-Y224 PolarHBondContact O-N 3.46Å; D221-Y224 PolarHBondContact OD1-N 3.22Å; Y224-S226 PolarHBondContact O-N 3.4Å; Y224-S226 VanDerWaalsContact O-N 3.09Å; Y224-R227 WeakPolarHBondContact O-CB 3.4Å; Y224-R227 PolarHBondContact O-N 3.47Å; Y224-R227 VanDerWaalsContact O-N 3.11Å; Y224-H230 HydrophobicContact CD1-CB 3.87Å; Y224-H230 HydrophobicContact CE1-CB 3.56Å; Y224-H230 WeakPolarHBondContact O-CB 3.05Å; Y224-S231 PolarHBondContact OH-N 2.65Å; Y224-P283 HydrophobicContact CD2-CG 4.28Å; Y224-P283 HydrophobicContact CE2-CG 4.05Å
225C95.8Very high95.6Very high6 Ų648.2 Ų48.24%0.04127%0.267CS..G310 helixtrans-70.5-4.4-178-63.80000115.2I220 K223 C246 K250I220-C225 WeakPolarHBondContact CD1-SG 3.26Å; K223-C225 PolarHBondContact O-N 3.15Å; C225-C246 WeakPolarHBondContact CA-SG 3.43Å; C225-C246 HydrophobicContact CB-CB 3.64Å; C225-C246 WeakPolarHBondContact CB-SG 3.01Å; C225-C246 WeakPolarHBondContact SG-CA 3.33Å; C225-C246 WeakPolarHBondContact SG-CB 3.43Å; C225-C246 CovalentContact SG-SG 2.04Å; C225-C246 PolarHBondContact SG-SG 3.34Å; C225-K250 WeakPolarHBondContact O-CE 3.4Å; C225-K250 PolarHBondContact O-NZ 3.27Å
226S94.6Very high95.5Very high102 Ų10249.4 Ų49.471%0.71327%0.273SS*.G310 helixtrans-102.2-8.4175.8-58.70000112.4K223 Y224K223-S226 PolarHBondContact O-N 3.3Å; Y224-S226 PolarHBondContact O-N 3.4Å; Y224-S226 VanDerWaalsContact O-N 3.09Å
227R95.1Very high95.4Very high102 Ų10249.7 Ų49.739%0.38527%0.274SS..SBendtrans-75141.2177.1-63.2173.7-175.4134.35110.1D221 K223 Y224 N229 H230D221-R227 IonicContact OD1-CZ 3.13Å; D221-R227 IonicContact OD1-NH1 2.8Å; D221-R227 PolarHBondContact OD1-NH1 3.43Å; D221-R227 IonicContact OD1-NH2 2.59Å; D221-R227 PolarHBondContact OD1-NH2 2.91Å; D221-R227 IonicContact OD2-CZ 3.66Å; D221-R227 IonicContact OD2-NH1 3.87Å; D221-R227 PolarHBondContact OD2-NH1 3.34Å; D221-R227 IonicContact OD2-NH2 2.89Å; D221-R227 PolarHBondContact OD2-NH2 3.24Å; K223-R227 PolarHBondContact O-N 3.18Å; Y224-R227 WeakPolarHBondContact O-CB 3.4Å; Y224-R227 PolarHBondContact O-N 3.47Å; Y224-R227 VanDerWaalsContact O-N 3.11Å; R227-N229 VanDerWaalsContact C-N 3.34Å; R227-N229 PolarHBondContact O-N 3.38Å; R227-H230 HydrophobicContact CB-CB 4.49Å; R227-H230 PolarHBondContact O-ND1 3.04Å
228A88.9Confident95.2Very high99 Ų9951.1 Ų51.182%0.81828%0.28SS*.THydrogen-bonded Turntrans-60.5-39.3-17700000113.5
229N88.1Confident94.7Very high161 Ų16154.8 Ų54.886%0.86130%0.296SS*.THydrogen-bonded Turntrans-110.636.3-173.1-63-10.7000112.8R227R227-N229 VanDerWaalsContact C-N 3.34Å; R227-N229 PolarHBondContact O-N 3.38Å
230H92.3Very high93.5Very high58 Ų5863.8 Ų63.827%0.26934%0.339SS..  trans-72.514817470.3-87.8000110.9Y224 R227Y224-H230 HydrophobicContact CD1-CB 3.87Å; Y224-H230 HydrophobicContact CE1-CB 3.56Å; Y224-H230 WeakPolarHBondContact O-CB 3.05Å; R227-H230 HydrophobicContact CB-CB 4.49Å; R227-H230 PolarHBondContact O-ND1 3.04Å
231S91.9Very high92.3Very high71 Ų7172.1 Ų72.150%0.49738%0.375SS..  trans-73.6131.6175.7-55.60000109.8Y224Y224-S231 PolarHBondContact OH-N 2.65Å
232D92.6Very high91.2Very high109 Ų10981.5 Ų81.558%0.58341%0.409SS*.  trans-85.6113.3169.7-168.228.9000109.2S244D232-S244 WeakPolarHBondContact OD1-CB 3.41Å; D232-S244 PolarHBondContact OD1-OG 3.03Å
233V95.4Very high91Very high25 Ų2583.9 Ų83.915%0.15242%0.422CS..  trans-122.1156.7180-59.50000109.9Q70 E245Q70-V233 HydrophobicContact CG-CG2 4.07Å; Q70-V233 VanDerWaalsContact NE2-CG2 3.32Å; V233-E245 HydrophobicContact CG2-CB 3.95Å; V233-E245 WeakPolarHBondContact CG2-OE2 3.27Å; V233-E245 PolarHBondContact O-N 3.23Å
234P96.9Very high90.9Very high19 Ų1978.1 Ų78.112%0.12340%0.398CS..BIsolated β-bridgetrans-57.5150.2171.3-2334.6000111.8G69 L72 H236 R242 L243G69-P234 WeakPolarHBondContact CA-O 3.34Å; G69-P234 PolarHBondContact N-O 2.04Å; L72-P234 HydrophobicContact CD1-CG 4.09Å; P234-H236 VanDerWaalsContact C-N 3.27Å; P234-H236 WeakPolarHBondContact CB-O 3.05Å; P234-H236 PolarHBondContact O-N 3.42Å; P234-R242 HydrophobicContact CG-CB 4.48Å; P234-R242 HydrophobicContact CG-CG 4.05Å; P234-L243 CarbonylContact C-O 3.55Å; P234-L243 WeakPolarHBondContact CA-O 3.42Å
235Y96.4Very high90.9Very high36 Ų3677.2 Ų77.214%0.14140%0.395CS..SBendtrans-58.9-40.8178.1177-126.9000112S68 L243 M248 Y249 F262S68-Y235 WeakPolarHBondContact CA-O 3.31Å; Y235-L243 WeakPolarHBondContact CB-O 3.5Å; Y235-L243 PolarHBondContact N-O 3.41Å; Y235-M248 HydrophobicContact CD1-CE 4Å; Y235-M248 HydrophobicContact CD1-CG 3.89Å; Y235-M248 HydrophobicContact CD2-CB 3.73Å; Y235-M248 HydrophobicContact CD2-CG 3.65Å; Y235-M248 HydrophobicContact CE1-CE 4.37Å; Y235-M248 HydrophobicContact CE1-CG 3.85Å; Y235-M248 HydrophobicContact CE2-CB 4.13Å; Y235-M248 HydrophobicContact CE2-CG 3.63Å; Y235-M248 HydrophobicContact CG-CB 3.94Å; Y235-M248 HydrophobicContact CG-CE 4.41Å; Y235-M248 HydrophobicContact CG-CG 3.79Å; Y235-Y249 HydrophobicContact CD2-CE1 4.17Å; Y235-Y249 AromaticContact CE2-CD1 3.96Å; Y235-Y249 HydrophobicContact CE2-CD1 3.96Å; Y235-Y249 AromaticContact CE2-CE1 3.46Å; Y235-Y249 HydrophobicContact CE2-CE1 3.46Å; Y235-Y249 VanDerWaalsContact CE2-CE1 3.46Å; Y235-F262 WeakPolarHBondContact OH-CZ 3.41Å
236H97.1Very high90.9Very high29 Ų2977.1 Ų77.113%0.13439%0.394CS..SBendtrans-122.9143.8171.9-65.1145.8000111.7S67 P234 Y238 E239S67-H236 WeakPolarHBondContact CB-CD2 3.33Å; S67-H236 CarbonylContact O-C 3.26Å; S67-H236 WeakPolarHBondContact O-CA 3.03Å; P234-H236 VanDerWaalsContact C-N 3.27Å; P234-H236 WeakPolarHBondContact CB-O 3.05Å; P234-H236 PolarHBondContact O-N 3.42Å; H236-Y238 HydrophobicContact CB-CD1 4.07Å; H236-Y238 HydrophobicContact CB-CE1 3.83Å; H236-Y238 HydrophobicContact CB-CE2 4.31Å; H236-Y238 HydrophobicContact CB-CG 4.46Å; H236-Y238 AromaticContact CG-CZ 3.91Å; H236-Y238 AromaticContact ND1-CZ 3.96Å; H236-Y238 PolarHBondContact O-N 3.3Å; H236-E239 HydrophobicContact CB-CB 4.23Å; H236-E239 HydrophobicContact CB-CG 3.9Å; H236-E239 IonicContact CE1-OE1 3.16Å; H236-E239 IonicContact CG-OE1 2.75Å; H236-E239 IonicContact ND1-OE1 3.84Å; H236-E239 PolarHBondContact ND1-OE1 3.03Å; H236-E239 IonicContact ND1-OE2 2.74Å; H236-E239 PolarHBondContact ND1-OE2 3.27Å
237Y97.3Very high90.9Very high7 Ų781.5 Ų81.53%0.02740%0.395CS..THydrogen-bonded Turntrans-65.3-18.4177.462-105000113.5S67 S68 M71 A92 P93 Y97 V101S67-Y237 WeakPolarHBondContact O-CD1 3.48Å; S67-Y237 PolarHBondContact O-N 2.78Å; S68-Y237 WeakPolarHBondContact O-CD1 3.25Å; M71-Y237 HydrophobicContact CB-CD1 4.14Å; M71-Y237 HydrophobicContact CG-CD1 4.43Å; A92-Y237 WeakPolarHBondContact CB-OH 3.37Å; P93-Y237 HydrophobicContact CG-CE2 4.44Å; P93-Y237 WeakPolarHBondContact O-CE2 3.28Å; P93-Y237 PolarHBondContact O-OH 3.26Å; Y97-Y237 AromaticContact CD1-CD2 3.75Å; Y97-Y237 HydrophobicContact CD1-CD2 3.75Å; Y97-Y237 HydrophobicContact CD1-CE2 4.45Å; Y97-Y237 HydrophobicContact CD2-CD2 4.04Å; Y97-Y237 HydrophobicContact CD2-CE2 4.05Å; Y97-Y237 HydrophobicContact CE1-CD2 4.1Å; Y97-Y237 WeakPolarHBondContact CE1-O 2.96Å; Y97-Y237 HydrophobicContact CE2-CD2 4.37Å; Y97-Y237 AromaticContact CG-CD2 3.74Å; Y97-Y237 HydrophobicContact CG-CD2 3.74Å; Y97-Y237 AromaticContact CG-CE2 3.97Å; Y97-Y237 HydrophobicContact CG-CE2 3.97Å; Y97-Y237 VanDerWaalsContact CZ-O 3.32Å; Y97-Y237 PolarHBondContact OH-O 3.49Å; V101-Y237 HydrophobicContact CG1-CD1 4.2Å; V101-Y237 HydrophobicContact CG1-CD2 4.41Å; V101-Y237 HydrophobicContact CG1-CE1 3.97Å; V101-Y237 HydrophobicContact CG1-CE2 4.21Å; V101-Y237 HydrophobicContact CG1-CG 4.43Å; V101-Y237 HydrophobicContact CG2-CE2 4.35Å
238Y95.1Very high91Very high30 Ų3078.2 Ų78.212%0.11839%0.385CS..THydrogen-bonded Turntrans-111.9-2-171.357.5-93.1000115.2N91 A92 P93 Y97 H236N91-Y238 PolarHBondContact OD1-OH 2.81Å; A92-Y238 VanDerWaalsContact CA-CE1 3.5Å; A92-Y238 HydrophobicContact CB-CD1 4.2Å; A92-Y238 HydrophobicContact CB-CE1 3.53Å; P93-Y238 VanDerWaalsContact CD-CD1 3.45Å; P93-Y238 HydrophobicContact CG-CD1 4.43Å; P93-Y238 HydrophobicContact CG-CD2 4.43Å; P93-Y238 HydrophobicContact CG-CG 3.91Å; Y97-Y238 WeakPolarHBondContact OH-CA 3.47Å; H236-Y238 HydrophobicContact CB-CD1 4.07Å; H236-Y238 HydrophobicContact CB-CE1 3.83Å; H236-Y238 HydrophobicContact CB-CE2 4.31Å; H236-Y238 HydrophobicContact CB-CG 4.46Å; H236-Y238 AromaticContact CG-CZ 3.91Å; H236-Y238 AromaticContact ND1-CZ 3.96Å; H236-Y238 PolarHBondContact O-N 3.3Å
239E88.3Confident91.3Very high76 Ų7674.2 Ų74.236%0.35535%0.348SS..  trans-89.8135.1-179.6-74.6179.8-179.200111.6H236H236-E239 HydrophobicContact CB-CB 4.23Å; H236-E239 HydrophobicContact CB-CG 3.9Å; H236-E239 IonicContact CE1-OE1 3.16Å; H236-E239 IonicContact CG-OE1 2.75Å; H236-E239 IonicContact ND1-OE1 3.84Å; H236-E239 PolarHBondContact ND1-OE1 3.03Å; H236-E239 IonicContact ND1-OE2 2.74Å; H236-E239 PolarHBondContact ND1-OE2 3.27Å
240Q73.3Confident91.7Very high199 Ų19971.2 Ų71.293%0.9333%0.328SS*.SBendtrans-69.8-33.6177.4-66.1-178.8-14.100112.1R242Q240-R242 PolarHBondContact O-N 2.97Å
241K72.2Confident91.8Very high176 Ų17675.7 Ų75.777%0.76534%0.343SS*.SBendtrans-79.9110.3175.6-69.7-175.9-179179.20109.1L243K241-L243 PolarHBondContact O-N 2.7Å
242R75.1Confident92Very high207 Ų20774.3 Ų74.378%0.78133%0.329SS*.  trans-78.263.1-179.7-65-173.8161.4-178.5-5.4112.2P234 Q240 S244P234-R242 HydrophobicContact CG-CB 4.48Å; P234-R242 HydrophobicContact CG-CG 4.05Å; Q240-R242 PolarHBondContact O-N 2.97Å; R242-S244 PolarHBondContact O-N 2.62Å
243L90.7Very high92.1Very high95 Ų9571.1 Ų71.150%0.49731%0.31SS..  trans-65.2128.4162.6-67177.1000107.7P234 Y235 K241 E245 M248P234-L243 CarbonylContact C-O 3.55Å; P234-L243 WeakPolarHBondContact CA-O 3.42Å; Y235-L243 WeakPolarHBondContact CB-O 3.5Å; Y235-L243 PolarHBondContact N-O 3.41Å; K241-L243 PolarHBondContact O-N 2.7Å; L243-E245 PolarHBondContact O-N 3.5Å; L243-M248 HydrophobicContact CB-CE 4.14Å; L243-M248 HydrophobicContact CD1-CE 3.4Å; L243-M248 HydrophobicContact CG-CE 4.38Å
244S95.2Very high92Very high13 Ų1374.3 Ų74.39%0.09133%0.334CS..BIsolated β-bridgetrans-61.9134.2177.9162.30000110.8D232 R242 C246 R247 M248D232-S244 WeakPolarHBondContact OD1-CB 3.41Å; D232-S244 PolarHBondContact OD1-OG 3.03Å; R242-S244 PolarHBondContact O-N 2.62Å; S244-C246 VanDerWaalsContact C-N 3.32Å; S244-C246 PolarHBondContact O-N 3.44Å; S244-C246 PolarHBondContact OG-N 3.42Å; S244-R247 PolarHBondContact O-N 2.95Å; S244-R247 PolarHBondContact OG-N 2.97Å; S244-M248 PolarHBondContact O-N 3.29Å
245E96.3Very high91.7Very high1 Ų174.9 Ų74.91%0.00534%0.337CS..Hα-helixtrans-52.6-51175177.3179.5-134.100111S68 Q70 I220 V233 L243 R247 M248 Y249S68-E245 VanDerWaalsContact CB-OE1 3.31Å; S68-E245 WeakPolarHBondContact CB-OE1 3.33Å; S68-E245 VanDerWaalsContact OG-CD 3.25Å; S68-E245 PolarHBondContact OG-OE1 3.47Å; Q70-E245 PolarHBondContact NE2-OE2 2.91Å; I220-E245 HydrophobicContact CD1-CG 4.25Å; I220-E245 WeakPolarHBondContact CG2-OE2 3.34Å; V233-E245 HydrophobicContact CG2-CB 3.95Å; V233-E245 WeakPolarHBondContact CG2-OE2 3.27Å; V233-E245 PolarHBondContact O-N 3.23Å; L243-E245 PolarHBondContact O-N 3.5Å; E245-R247 PolarHBondContact O-N 3Å; E245-M248 PolarHBondContact O-N 2.89Å; E245-Y249 HydrophobicContact CG-CD2 3.85Å; E245-Y249 HydrophobicContact CG-CE2 3.4Å; E245-Y249 VanDerWaalsContact CG-CE2 3.4Å; E245-Y249 PolarHBondContact O-N 3.38Å; E245-Y249 PolarHBondContact OE1-OH 3.45Å
246C96.6Very high91.1Very high5 Ų581.3 Ų81.33%0.03437%0.368CS..Hα-helixtrans-68.7-34.8-177.4-77.30000113.2C225 S244 K250C225-C246 WeakPolarHBondContact CA-SG 3.43Å; C225-C246 HydrophobicContact CB-CB 3.64Å; C225-C246 WeakPolarHBondContact CB-SG 3.01Å; C225-C246 WeakPolarHBondContact SG-CA 3.33Å; C225-C246 WeakPolarHBondContact SG-CB 3.43Å; C225-C246 CovalentContact SG-SG 2.04Å; C225-C246 PolarHBondContact SG-SG 3.34Å; S244-C246 VanDerWaalsContact C-N 3.32Å; S244-C246 PolarHBondContact O-N 3.44Å; S244-C246 PolarHBondContact OG-N 3.42Å; C246-K250 WeakPolarHBondContact O-CB 3.5Å; C246-K250 VanDerWaalsContact O-CG 3.31Å; C246-K250 WeakPolarHBondContact O-CG 3Å; C246-K250 PolarHBondContact O-N 3.03Å
247R95.2Very high90.4Very high194 Ų19490 Ų9073%0.73240%0.4SS*.Hα-helixtrans-65.2-44.1173.8-67.9-175.4-175.7-171.3-0.4111.1S244 E245 K250 Y251S244-R247 PolarHBondContact O-N 2.95Å; S244-R247 PolarHBondContact OG-N 2.97Å; E245-R247 PolarHBondContact O-N 3Å; R247-K250 PolarHBondContact O-N 3.02Å; R247-Y251 VanDerWaalsContact O-CB 3.29Å; R247-Y251 WeakPolarHBondContact O-CB 3.36Å; R247-Y251 PolarHBondContact O-N 3.27Å
248M95.6Very high89.7Confident33 Ų3391.6 Ų91.616%0.16342%0.418CS..Hα-helixtrans-60.5-47.8177.5-173.163.575.100111.2Y235 L243 S244 E245 Y251 H252Y235-M248 HydrophobicContact CD1-CE 4Å; Y235-M248 HydrophobicContact CD1-CG 3.89Å; Y235-M248 HydrophobicContact CD2-CB 3.73Å; Y235-M248 HydrophobicContact CD2-CG 3.65Å; Y235-M248 HydrophobicContact CE1-CE 4.37Å; Y235-M248 HydrophobicContact CE1-CG 3.85Å; Y235-M248 HydrophobicContact CE2-CB 4.13Å; Y235-M248 HydrophobicContact CE2-CG 3.63Å; Y235-M248 HydrophobicContact CG-CB 3.94Å; Y235-M248 HydrophobicContact CG-CE 4.41Å; Y235-M248 HydrophobicContact CG-CG 3.79Å; L243-M248 HydrophobicContact CB-CE 4.14Å; L243-M248 HydrophobicContact CD1-CE 3.4Å; L243-M248 HydrophobicContact CG-CE 4.38Å; S244-M248 PolarHBondContact O-N 3.29Å; E245-M248 PolarHBondContact O-N 2.89Å; M248-Y251 PolarHBondContact O-N 2.66Å; M248-H252 PolarHBondContact O-CD2 2.94Å; M248-H252 PolarHBondContact O-N 3.44Å; M248-H252 PolarHBondContact SD-CD2 2.78Å; M248-H252 PolarHBondContact SD-NE2 2.89Å
249Y96.3Very high89.4Confident15 Ų1590.1 Ų90.16%0.05941%0.412CS..Hα-helixtrans-62.8-48179.1-70-19.4000112.9I220 Y235 E245 Y251 H252 E253 F262I220-Y249 HydrophobicContact CD1-CD2 3.8Å; I220-Y249 HydrophobicContact CD1-CE2 3.69Å; I220-Y249 HydrophobicContact CG1-CD2 4.35Å; I220-Y249 HydrophobicContact CG1-CE2 3.86Å; Y235-Y249 HydrophobicContact CD2-CE1 4.17Å; Y235-Y249 AromaticContact CE2-CD1 3.96Å; Y235-Y249 HydrophobicContact CE2-CD1 3.96Å; Y235-Y249 AromaticContact CE2-CE1 3.46Å; Y235-Y249 HydrophobicContact CE2-CE1 3.46Å; Y235-Y249 VanDerWaalsContact CE2-CE1 3.46Å; E245-Y249 HydrophobicContact CG-CD2 3.85Å; E245-Y249 HydrophobicContact CG-CE2 3.4Å; E245-Y249 VanDerWaalsContact CG-CE2 3.4Å; E245-Y249 PolarHBondContact O-N 3.38Å; E245-Y249 PolarHBondContact OE1-OH 3.45Å; Y249-Y251 VanDerWaalsContact C-N 3.35Å; Y249-Y251 PolarHBondContact O-N 3.28Å; Y249-H252 PolarHBondContact O-N 3.28Å; Y249-E253 VanDerWaalsContact O-CB 3.22Å; Y249-E253 WeakPolarHBondContact O-CB 3.24Å; Y249-E253 PolarHBondContact O-N 2.92Å; Y249-F262 HydrophobicContact CD1-CB 3.66Å; Y249-F262 HydrophobicContact CD1-CD1 4.43Å; Y249-F262 AromaticContact CD1-CD2 3.37Å; Y249-F262 HydrophobicContact CD1-CD2 3.37Å; Y249-F262 AromaticContact CD1-CE2 4Å; Y249-F262 HydrophobicContact CD1-CE2 4Å; Y249-F262 AromaticContact CD1-CG 3.6Å; Y249-F262 HydrophobicContact CD1-CG 3.6Å; Y249-F262 HydrophobicContact CE1-CB 4.01Å; Y249-F262 HydrophobicContact CE1-CD1 4.21Å; Y249-F262 AromaticContact CE1-CD2 3.9Å; Y249-F262 HydrophobicContact CE1-CD2 3.9Å; Y249-F262 HydrophobicContact CE1-CE2 4.31Å; Y249-F262 AromaticContact CE1-CG 3.81Å; Y249-F262 HydrophobicContact CE1-CG 3.81Å; Y249-F262 HydrophobicContact CG-CB 4.11Å; Y249-F262 HydrophobicContact CG-CD2 4.35Å; Y249-F262 HydrophobicContact CG-CG 4.5Å
250K95.9Very high89.6Confident98 Ų9888.7 Ų88.743%0.42641%0.406SS..Hα-helixtrans-60.6-44.2178-73.6175.7179.6173.40111.7C225 C246 R247 E253 S254 I263C225-K250 WeakPolarHBondContact O-CE 3.4Å; C225-K250 PolarHBondContact O-NZ 3.27Å; C246-K250 WeakPolarHBondContact O-CB 3.5Å; C246-K250 VanDerWaalsContact O-CG 3.31Å; C246-K250 WeakPolarHBondContact O-CG 3Å; C246-K250 PolarHBondContact O-N 3.03Å; R247-K250 PolarHBondContact O-N 3.02Å; K250-E253 PolarHBondContact O-N 3.35Å; K250-S254 PolarHBondContact O-N 3.42Å; K250-S254 PolarHBondContact O-OG 3.09Å; K250-S254 VanDerWaalsContact O-OG 3.08Å; K250-I263 HydrophobicContact CG-CD1 4.38Å
251Y95.5Very high90.6Very high152 Ų15280.8 Ų80.860%0.59637%0.367SS*.Hα-helixtrans-60-50.1178.4175.1-100.4000112.2R247 M248 Y249 S254 T255R247-Y251 VanDerWaalsContact O-CB 3.29Å; R247-Y251 WeakPolarHBondContact O-CB 3.36Å; R247-Y251 PolarHBondContact O-N 3.27Å; M248-Y251 PolarHBondContact O-N 2.66Å; Y249-Y251 VanDerWaalsContact C-N 3.35Å; Y249-Y251 PolarHBondContact O-N 3.28Å; Y251-S254 PolarHBondContact O-OG 2.97Å; Y251-T255 WeakPolarHBondContact O-CB 3.43Å; Y251-T255 PolarHBondContact O-N 3.42Å; Y251-T255 VanDerWaalsContact O-N 3.09Å; Y251-T255 PolarHBondContact O-OG1 2.99Å
252H95.2Very high91.8Very high42 Ų4273 Ų7319%0.19433%0.334CS..Hα-helixtrans-66.2-40.3178.6-84.7-91.6000112M248 Y249 S254 T255 H260 R261 F262M248-H252 PolarHBondContact O-CD2 2.94Å; M248-H252 PolarHBondContact O-N 3.44Å; M248-H252 PolarHBondContact SD-CD2 2.78Å; M248-H252 PolarHBondContact SD-NE2 2.89Å; Y249-H252 PolarHBondContact O-N 3.28Å; H252-S254 PolarHBondContact O-N 3.38Å; H252-T255 PolarHBondContact O-N 3.2Å; H252-H260 CarbonylContact C-O 3.52Å; H252-H260 HydrophobicContact CB-CB 4.28Å; H252-H260 AromaticContact ND1-CD2 3.7Å; H252-R261 PolarHBondContact O-NH1 2.88Å; H252-F262 HydrophobicContact CB-CD2 3.74Å; H252-F262 HydrophobicContact CB-CE2 3.72Å; H252-F262 AromaticContact CG-CE2 3.75Å
253E95Very high92.8Very high42 Ų4265.1 Ų65.120%0.19631%0.306CS..Hα-helixtrans-58.7-46.1179-168.568.6-152.700111.4Y249 K250 H260 R261 F262 I263 T264Y249-E253 VanDerWaalsContact O-CB 3.22Å; Y249-E253 WeakPolarHBondContact O-CB 3.24Å; Y249-E253 PolarHBondContact O-N 2.92Å; K250-E253 PolarHBondContact O-N 3.35Å; E253-H260 PolarHBondContact N-O 2.83Å; E253-R261 PolarHBondContact O-NH1 3.11Å; E253-R261 VanDerWaalsContact OE2-CA 3.24Å; E253-R261 WeakPolarHBondContact OE2-CA 3.43Å; E253-F262 PolarHBondContact OE2-N 3.3Å; E253-I263 HydrophobicContact CB-CD1 4.16Å; E253-I263 HydrophobicContact CB-CG1 4.42Å; E253-I263 HydrophobicContact CG-CB 4.05Å; E253-I263 HydrophobicContact CG-CD1 4.15Å; E253-I263 HydrophobicContact CG-CG1 4.32Å; E253-I263 WeakPolarHBondContact OE2-CB 3.39Å; E253-I263 PolarHBondContact OE2-N 3.01Å; E253-T264 WeakPolarHBondContact OE1-CB 3.41Å; E253-T264 PolarHBondContact OE1-N 3.12Å; E253-T264 PolarHBondContact OE1-OG1 2.95Å; E253-T264 PolarHBondContact OE2-N 3.4Å
254S92.4Very high93.1Very high91 Ų9162.2 Ų62.264%0.63629%0.292SS*.Hα-helixtrans-80.3-14.3-178.865.10000114.2K250 Y251 H252 Q256K250-S254 PolarHBondContact O-N 3.42Å; K250-S254 PolarHBondContact O-OG 3.09Å; K250-S254 VanDerWaalsContact O-OG 3.08Å; Y251-S254 PolarHBondContact O-OG 2.97Å; H252-S254 PolarHBondContact O-N 3.38Å; S254-Q256 PolarHBondContact O-N 2.88Å
255T91.8Very high93.3Very high31 Ų3161.7 Ų61.719%0.1929%0.288CS..  trans-65.7123-178.5-68.60000110.6Y251 H252 R257 R261Y251-T255 WeakPolarHBondContact O-CB 3.43Å; Y251-T255 PolarHBondContact O-N 3.42Å; Y251-T255 VanDerWaalsContact O-N 3.09Å; Y251-T255 PolarHBondContact O-OG1 2.99Å; H252-T255 PolarHBondContact O-N 3.2Å; T255-R257 WeakPolarHBondContact CG2-O 3.42Å; T255-R261 PolarHBondContact O-NH1 3.47Å; T255-R261 PolarHBondContact O-NH2 2.91Å
256Q82.4Confident93.3Very high171 Ų17162 Ų6280%0.79929%0.29SS*.SBendtrans-63.5-45-174.3-68.2-177.2-4.800113.1S254 R261S254-Q256 PolarHBondContact O-N 2.88Å; Q256-R261 PolarHBondContact O-NH2 3.09Å
257R83.8Confident93.4Very high212 Ų21263.8 Ų63.880%0.831%0.305SS*.SBendtrans-130.8139.3179.7-71-175.2177.4170.71.1111.3T255 G259T255-R257 WeakPolarHBondContact CG2-O 3.42Å; R257-G259 PolarHBondContact O-N 3.16Å
258G82.8Confident93.6Very high40 Ų4054.9 Ų54.941%0.41227%0.272SS..SBendtrans78.2-4.1177.100000115.4G194G194-G258 PolarHBondContact O-N 3.26Å
259G88.3Confident93.7Very high0 Ų053.4 Ų53.40%026%0.264CS..  trans-73.6160.817200000113A195 F196 R257A195-G259 WeakPolarHBondContact CA-O 3.29Å; F196-G259 PolarHBondContact N-O 2.7Å; R257-G259 PolarHBondContact O-N 3.16Å
260H92.8Very high93.8Very high45 Ų4553.7 Ų53.721%0.20827%0.27CS..BIsolated β-bridgetrans-89.9161.8165-69-70.1000109.8F196 H252 E253 F262F196-H260 WeakPolarHBondContact O-CA 3.31Å; F196-H260 PolarHBondContact O-ND1 3.34Å; H252-H260 CarbonylContact C-O 3.52Å; H252-H260 HydrophobicContact CB-CB 4.28Å; H252-H260 AromaticContact ND1-CD2 3.7Å; E253-H260 PolarHBondContact N-O 2.83Å; H260-F262 HydrophobicContact CB-CD1 3.87Å; H260-F262 HydrophobicContact CB-CD2 3.79Å; H260-F262 HydrophobicContact CB-CE1 3.63Å; H260-F262 HydrophobicContact CB-CE2 3.58Å; H260-F262 HydrophobicContact CB-CG 3.96Å; H260-F262 HydrophobicContact CB-CZ 3.49Å; H260-F262 VanDerWaalsContact CB-CZ 3.49Å; H260-F262 AromaticContact CD2-CE2 3.94Å; H260-F262 AromaticContact CD2-CZ 3.41Å; H260-F262 VanDerWaalsContact CD2-CZ 3.41Å; H260-F262 WeakPolarHBondContact CD2-CZ 3.22Å; H260-F262 AromaticContact CG-CE1 3.79Å; H260-F262 AromaticContact CG-CZ 3.55Å
261R94.6Very high93.9Very high34 Ų3453.5 Ų53.513%0.12827%0.269CS..  trans-109.554175.7-60-63.2177.8-114.64.3110.4F182 A195 H252 E253 T255 Q256 I263 T264 E265F182-R261 HydrophobicContact CE2-CB 4.22Å; F182-R261 HydrophobicContact CZ-CB 4.07Å; F182-R261 HydrophobicContact CZ-CG 4.18Å; A195-R261 HydrophobicContact CB-CG 3.96Å; H252-R261 PolarHBondContact O-NH1 2.88Å; E253-R261 PolarHBondContact O-NH1 3.11Å; E253-R261 VanDerWaalsContact OE2-CA 3.24Å; E253-R261 WeakPolarHBondContact OE2-CA 3.43Å; T255-R261 PolarHBondContact O-NH1 3.47Å; T255-R261 PolarHBondContact O-NH2 2.91Å; Q256-R261 PolarHBondContact O-NH2 3.09Å; R261-I263 VanDerWaalsContact C-N 3.3Å; R261-I263 PolarHBondContact O-N 3.14Å; R261-T264 PolarHBondContact O-N 2.74Å; R261-E265 WeakPolarHBondContact O-CB 3.26Å; R261-E265 VanDerWaalsContact O-CG 3.24Å; R261-E265 WeakPolarHBondContact O-CG 3.4Å; R261-E265 PolarHBondContact O-N 3.44Å
262F96.2Very high94.1Very high13 Ų1346.7 Ų46.76%0.05724%0.242CC..Hα-helixtrans-59-36.6-170.6-66.2-55.1000114.2Y235 Y249 H252 E253 H260 K266Y235-F262 WeakPolarHBondContact OH-CZ 3.41Å; Y249-F262 HydrophobicContact CD1-CB 3.66Å; Y249-F262 HydrophobicContact CD1-CD1 4.43Å; Y249-F262 AromaticContact CD1-CD2 3.37Å; Y249-F262 HydrophobicContact CD1-CD2 3.37Å; Y249-F262 AromaticContact CD1-CE2 4Å; Y249-F262 HydrophobicContact CD1-CE2 4Å; Y249-F262 AromaticContact CD1-CG 3.6Å; Y249-F262 HydrophobicContact CD1-CG 3.6Å; Y249-F262 HydrophobicContact CE1-CB 4.01Å; Y249-F262 HydrophobicContact CE1-CD1 4.21Å; Y249-F262 AromaticContact CE1-CD2 3.9Å; Y249-F262 HydrophobicContact CE1-CD2 3.9Å; Y249-F262 HydrophobicContact CE1-CE2 4.31Å; Y249-F262 AromaticContact CE1-CG 3.81Å; Y249-F262 HydrophobicContact CE1-CG 3.81Å; Y249-F262 HydrophobicContact CG-CB 4.11Å; Y249-F262 HydrophobicContact CG-CD2 4.35Å; Y249-F262 HydrophobicContact CG-CG 4.5Å; H252-F262 HydrophobicContact CB-CD2 3.74Å; H252-F262 HydrophobicContact CB-CE2 3.72Å; H252-F262 AromaticContact CG-CE2 3.75Å; E253-F262 PolarHBondContact OE2-N 3.3Å; H260-F262 HydrophobicContact CB-CD1 3.87Å; H260-F262 HydrophobicContact CB-CD2 3.79Å; H260-F262 HydrophobicContact CB-CE1 3.63Å; H260-F262 HydrophobicContact CB-CE2 3.58Å; H260-F262 HydrophobicContact CB-CG 3.96Å; H260-F262 HydrophobicContact CB-CZ 3.49Å; H260-F262 VanDerWaalsContact CB-CZ 3.49Å; H260-F262 AromaticContact CD2-CE2 3.94Å; H260-F262 AromaticContact CD2-CZ 3.41Å; H260-F262 VanDerWaalsContact CD2-CZ 3.41Å; H260-F262 WeakPolarHBondContact CD2-CZ 3.22Å; H260-F262 AromaticContact CG-CE1 3.79Å; H260-F262 AromaticContact CG-CZ 3.55Å; F262-K266 WeakPolarHBondContact O-CD 3.47Å; F262-K266 VanDerWaalsContact O-CG 3.25Å; F262-K266 WeakPolarHBondContact O-CG 3.43Å; F262-K266 PolarHBondContact O-N 3.37Å; F262-K266 PolarHBondContact O-NZ 2.79Å
263I97.1Very high94.2Very high41 Ų4145.3 Ų45.321%0.2124%0.238CC..Hα-helixtrans-77.4-45179.4-61.5176.6000109D222 K250 E253 R261 E265 K266 A267D222-I263 HydrophobicContact CB-CG2 4.07Å; D222-I263 WeakPolarHBondContact O-CG2 3.27Å; K250-I263 HydrophobicContact CG-CD1 4.38Å; E253-I263 HydrophobicContact CB-CD1 4.16Å; E253-I263 HydrophobicContact CB-CG1 4.42Å; E253-I263 HydrophobicContact CG-CB 4.05Å; E253-I263 HydrophobicContact CG-CD1 4.15Å; E253-I263 HydrophobicContact CG-CG1 4.32Å; E253-I263 WeakPolarHBondContact OE2-CB 3.39Å; E253-I263 PolarHBondContact OE2-N 3.01Å; R261-I263 VanDerWaalsContact C-N 3.3Å; R261-I263 PolarHBondContact O-N 3.14Å; I263-E265 VanDerWaalsContact C-N 3.33Å; I263-E265 PolarHBondContact O-N 3.17Å; I263-K266 WeakPolarHBondContact O-CB 3.49Å; I263-K266 PolarHBondContact O-N 3.43Å; I263-K266 VanDerWaalsContact O-N 3.15Å; I263-A267 PolarHBondContact O-N 2.6Å; I263-A267 VanDerWaalsContact O-N 3.12Å
264T96.9Very high94.3Very high33 Ų3347.7 Ų47.720%0.20226%0.256CS..Hα-helixtrans-58-44.8174.3-63.30000111.6F182 T186 E253 R261 K266 A267 I268F182-T264 HydrophobicContact CE2-CG2 4Å; F182-T264 HydrophobicContact CZ-CG2 3.91Å; T186-T264 HydrophobicContact CG2-CG2 3.59Å; E253-T264 WeakPolarHBondContact OE1-CB 3.41Å; E253-T264 PolarHBondContact OE1-N 3.12Å; E253-T264 PolarHBondContact OE1-OG1 2.95Å; E253-T264 PolarHBondContact OE2-N 3.4Å; R261-T264 PolarHBondContact O-N 2.74Å; T264-K266 VanDerWaalsContact C-N 3.31Å; T264-K266 PolarHBondContact O-N 2.84Å; T264-A267 WeakPolarHBondContact O-CB 3.37Å; T264-A267 PolarHBondContact O-N 3.4Å; T264-I268 WeakPolarHBondContact O-CG1 3.46Å; T264-I268 PolarHBondContact O-N 3.44Å; T264-I268 VanDerWaalsContact O-N 3.14Å
265E98.1Very high94.5Very high2 Ų248.9 Ų48.91%0.00925%0.251CS..Hα-helixtrans-59.9-39.3176.6-76.1176.9-164.400112.2F182 L197 S198 F201 R261 I263 A267 I268 Y269F182-E265 HydrophobicContact CE2-CG 4.23Å; L197-E265 WeakPolarHBondContact CA-OE1 3.44Å; S198-E265 WeakPolarHBondContact CB-OE2 3.38Å; S198-E265 PolarHBondContact N-OE1 2.52Å; S198-E265 PolarHBondContact OG-OE2 2.82Å; F201-E265 HydrophobicContact CD2-CB 4.37Å; F201-E265 HydrophobicContact CD2-CG 3.77Å; F201-E265 HydrophobicContact CE2-CG 4.46Å; F201-E265 HydrophobicContact CG-CG 4.46Å; R261-E265 WeakPolarHBondContact O-CB 3.26Å; R261-E265 VanDerWaalsContact O-CG 3.24Å; R261-E265 WeakPolarHBondContact O-CG 3.4Å; R261-E265 PolarHBondContact O-N 3.44Å; I263-E265 VanDerWaalsContact C-N 3.33Å; I263-E265 PolarHBondContact O-N 3.17Å; E265-A267 VanDerWaalsContact C-N 3.33Å; E265-A267 PolarHBondContact O-N 3.35Å; E265-I268 WeakPolarHBondContact O-CB 3.45Å; E265-I268 PolarHBondContact O-N 3.19Å; E265-Y269 HydrophobicContact CB-CE1 4.46Å; E265-Y269 HydrophobicContact CB-CE2 4.1Å; E265-Y269 VanDerWaalsContact O-CD1 3.27Å; E265-Y269 WeakPolarHBondContact O-CD1 3.16Å; E265-Y269 WeakPolarHBondContact O-CD2 3.44Å; E265-Y269 PolarHBondContact O-N 3.42Å; E265-Y269 PolarHBondContact OE2-OH 3.05Å; E265-Y269 VanDerWaalsContact OE2-OH 3.09Å
266K98.3Very high94.8Very high9 Ų952 Ų524%0.03926%0.263CS..Hα-helixtrans-64.4-37.1175.8-73.8162.6173.966.30112.3I220 D222 F262 I263 T264 I268 Y269 A270 W285I220-K266 HydrophobicContact CG1-CD 4.32Å; I220-K266 WeakPolarHBondContact O-CD 3.45Å; I220-K266 WeakPolarHBondContact O-CE 3.47Å; I220-K266 WeakPolarHBondContact O-CG 3.4Å; D222-K266 HydrophobicContact CB-CB 4Å; F262-K266 WeakPolarHBondContact O-CD 3.47Å; F262-K266 VanDerWaalsContact O-CG 3.25Å; F262-K266 WeakPolarHBondContact O-CG 3.43Å; F262-K266 PolarHBondContact O-N 3.37Å; F262-K266 PolarHBondContact O-NZ 2.79Å; I263-K266 WeakPolarHBondContact O-CB 3.49Å; I263-K266 PolarHBondContact O-N 3.43Å; I263-K266 VanDerWaalsContact O-N 3.15Å; T264-K266 VanDerWaalsContact C-N 3.31Å; T264-K266 PolarHBondContact O-N 2.84Å; K266-I268 VanDerWaalsContact C-N 3.29Å; K266-I268 PolarHBondContact O-N 3.32Å; K266-Y269 HydrophobicContact CG-CD2 4.38Å; K266-Y269 PolarHBondContact O-N 3.18Å; K266-A270 PolarHBondContact O-N 3.19Å; K266-W285 HydrophobicContact CB-CH2 3.93Å; K266-W285 HydrophobicContact CG-CH2 4.09Å; K266-W285 HydrophobicContact CG-CZ2 4.4Å; K266-W285 WeakPolarHBondContact O-CZ3 3.19Å
267A98.1Very high95.5Very high41 Ų4147.9 Ų47.934%0.33925%0.247SC..Hα-helixtrans-63.7-37.5174.100000111.6D222 I263 T264 E265 A270 K271D222-A267 HydrophobicContact CB-CB 4.02Å; I263-A267 PolarHBondContact O-N 2.6Å; I263-A267 VanDerWaalsContact O-N 3.12Å; T264-A267 WeakPolarHBondContact O-CB 3.37Å; T264-A267 PolarHBondContact O-N 3.4Å; E265-A267 VanDerWaalsContact C-N 3.33Å; E265-A267 PolarHBondContact O-N 3.35Å; A267-A270 PolarHBondContact O-N 3.03Å; A267-K271 PolarHBondContact O-N 3.18Å
268I98.4Very high96.2Very high7 Ų738.1 Ų38.14%0.03621%0.21CC..Hα-helixtrans-62.1-46.4171.5-59.8171.8000110.4F182 E185 T186 F201 T264 E265 K266 A270 K271 W272F182-I268 HydrophobicContact CD2-CD1 3.74Å; F182-I268 HydrophobicContact CE2-CD1 3.99Å; E185-I268 HydrophobicContact CB-CD1 3.87Å; E185-I268 HydrophobicContact CB-CG1 3.87Å; E185-I268 HydrophobicContact CB-CG2 4.07Å; E185-I268 HydrophobicContact CG-CG2 3.76Å; T186-I268 HydrophobicContact CG2-CD1 3.73Å; T186-I268 HydrophobicContact CG2-CG1 4.23Å; F201-I268 HydrophobicContact CE2-CD1 4.01Å; F201-I268 HydrophobicContact CE2-CG2 4.45Å; T264-I268 WeakPolarHBondContact O-CG1 3.46Å; T264-I268 PolarHBondContact O-N 3.44Å; T264-I268 VanDerWaalsContact O-N 3.14Å; E265-I268 WeakPolarHBondContact O-CB 3.45Å; E265-I268 PolarHBondContact O-N 3.19Å; K266-I268 VanDerWaalsContact C-N 3.29Å; K266-I268 PolarHBondContact O-N 3.32Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 3.08Å; I268-K271 WeakPolarHBondContact O-CB 3.33Å; I268-K271 PolarHBondContact O-N 2.88Å; I268-K271 VanDerWaalsContact O-N 3.16Å; I268-W272 HydrophobicContact CG2-CD2 3.83Å; I268-W272 HydrophobicContact CG2-CE3 4.32Å; I268-W272 HydrophobicContact CG2-CG 4.4Å; I268-W272 HydrophobicContact CG2-CH2 3.93Å; I268-W272 HydrophobicContact CG2-CZ2 3.37Å; I268-W272 HydrophobicContact CG2-CZ3 4.36Å; I268-W272 PolarHBondContact O-N 3.2Å
269Y98.6Very high97Very high2 Ų240.6 Ų40.61%0.00821%0.211CC..Hα-helixtrans-63.2-34.3179.8-53.2-27.3000112.8F201 M204 M219 E265 K266 W272 A273 W285F201-Y269 WeakPolarHBondContact CA-OH 3.45Å; F201-Y269 WeakPolarHBondContact CB-OH 3.28Å; F201-Y269 AromaticContact CD2-CE1 3.75Å; F201-Y269 HydrophobicContact CD2-CE1 3.75Å; F201-Y269 HydrophobicContact CE2-CE1 4.32Å; F201-Y269 PolarHBondContact N-OH 2.72Å; F201-Y269 VanDerWaalsContact N-OH 3.09Å; M204-Y269 HydrophobicContact CB-CD1 4.39Å; M204-Y269 HydrophobicContact CB-CE1 4.02Å; M204-Y269 HydrophobicContact CG-CD1 4.12Å; M204-Y269 HydrophobicContact CG-CE1 3.83Å; M204-Y269 HydrophobicContact CG-CE2 4.36Å; M219-Y269 HydrophobicContact CE-CE2 4.34Å; M219-Y269 HydrophobicContact SD-CD2 3.64Å; M219-Y269 HydrophobicContact SD-CE2 3.88Å; E265-Y269 HydrophobicContact CB-CE1 4.46Å; E265-Y269 HydrophobicContact CB-CE2 4.1Å; E265-Y269 VanDerWaalsContact O-CD1 3.27Å; E265-Y269 WeakPolarHBondContact O-CD1 3.16Å; E265-Y269 WeakPolarHBondContact O-CD2 3.44Å; E265-Y269 PolarHBondContact O-N 3.42Å; E265-Y269 PolarHBondContact OE2-OH 3.05Å; E265-Y269 VanDerWaalsContact OE2-OH 3.09Å; K266-Y269 HydrophobicContact CG-CD2 4.38Å; K266-Y269 PolarHBondContact O-N 3.18Å; Y269-W272 AromaticContact CD1-CE3 3.71Å; Y269-W272 HydrophobicContact CD1-CE3 3.71Å; Y269-W272 AromaticContact CD1-CZ3 3.68Å; Y269-W272 HydrophobicContact CD1-CZ3 3.68Å; Y269-W272 HydrophobicContact CE1-CE3 4.27Å; Y269-W272 HydrophobicContact CE1-CH2 4.47Å; Y269-W272 AromaticContact CE1-CZ3 3.76Å; Y269-W272 HydrophobicContact CE1-CZ3 3.76Å; Y269-W272 PolarHBondContact O-N 2.92Å; Y269-A273 WeakPolarHBondContact O-CB 3.47Å; Y269-A273 PolarHBondContact O-N 2.81Å; Y269-W285 HydrophobicContact CD2-CH2 4.36Å
270A98.3Very high97.5Very high21 Ų2141.1 Ų41.117%0.17421%0.213CC..Hα-helixtrans-61.9-45.7175.100000110.5K266 A267 I268 A273 T274 W285 L287K266-A270 PolarHBondContact O-N 3.19Å; A267-A270 PolarHBondContact O-N 3.03Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 3.08Å; A270-A273 PolarHBondContact O-N 3.22Å; A270-T274 PolarHBondContact O-N 3.36Å; A270-W285 HydrophobicContact CB-CE3 4.16Å; A270-W285 HydrophobicContact CB-CZ3 3.94Å; A270-L287 HydrophobicContact CB-CD2 4.03Å
271K98.1Very high97.7Very high95 Ų9541.7 Ų41.741%0.41322%0.215SC..Hα-helixtrans-62.5-43.8174.3-178.5-176.5170.5-1650112.3E185 A267 I268 A273 T274 Q275E185-K271 WeakPolarHBondContact OE2-CD 3.35Å; E185-K271 WeakPolarHBondContact OE2-CE 3.37Å; E185-K271 IonicContact OE2-NZ 2.7Å; E185-K271 PolarHBondContact OE2-NZ 2.71Å; A267-K271 PolarHBondContact O-N 3.18Å; I268-K271 WeakPolarHBondContact O-CB 3.33Å; I268-K271 PolarHBondContact O-N 2.88Å; I268-K271 VanDerWaalsContact O-N 3.16Å; K271-A273 VanDerWaalsContact C-N 3.26Å; K271-A273 PolarHBondContact O-N 3.16Å; K271-T274 PolarHBondContact O-N 3.28Å; K271-T274 PolarHBondContact O-OG1 2.91Å; K271-Q275 WeakPolarHBondContact O-CG 3.49Å
272W98.4Very high97.8Very high9 Ų943.2 Ų43.23%0.03422%0.224CC..Hα-helixtrans-61.9-36.3176.5-68-13.5000112.1V181 E185 F201 M204 I205 M208 I268 Y269 T274 Q275 H276 I278V181-W272 HydrophobicContact CG1-CH2 4.12Å; V181-W272 HydrophobicContact CG1-CZ2 3.56Å; E185-W272 HydrophobicContact CG-CZ2 4.36Å; E185-W272 PolarHBondContact OE1-NE1 3.39Å; F201-W272 HydrophobicContact CD2-CH2 4.39Å; F201-W272 AromaticContact CE2-CH2 3.72Å; F201-W272 HydrophobicContact CE2-CH2 3.72Å; F201-W272 HydrophobicContact CE2-CZ2 4.36Å; F201-W272 HydrophobicContact CE2-CZ3 4.48Å; F201-W272 AromaticContact CZ-CH2 3.88Å; F201-W272 HydrophobicContact CZ-CH2 3.88Å; F201-W272 HydrophobicContact CZ-CZ2 4.38Å; M204-W272 HydrophobicContact CB-CZ3 3.98Å; I205-W272 HydrophobicContact CD1-CH2 4.48Å; I205-W272 HydrophobicContact CG1-CH2 3.96Å; I205-W272 HydrophobicContact CG1-CZ3 4.4Å; M208-W272 HydrophobicContact CE-CD2 3.77Å; M208-W272 HydrophobicContact CE-CE3 3.33Å; M208-W272 HydrophobicContact CE-CH2 3.81Å; M208-W272 HydrophobicContact CE-CZ2 4.19Å; M208-W272 HydrophobicContact CE-CZ3 3.36Å; M208-W272 HydrophobicContact SD-CB 4.3Å; M208-W272 HydrophobicContact SD-CD2 3.96Å; M208-W272 HydrophobicContact SD-CE3 3.71Å; M208-W272 HydrophobicContact SD-CG 4.25Å; M208-W272 HydrophobicContact SD-CZ3 4.33Å; I268-W272 HydrophobicContact CG2-CD2 3.83Å; I268-W272 HydrophobicContact CG2-CE3 4.32Å; I268-W272 HydrophobicContact CG2-CG 4.4Å; I268-W272 HydrophobicContact CG2-CH2 3.93Å; I268-W272 HydrophobicContact CG2-CZ2 3.37Å; I268-W272 HydrophobicContact CG2-CZ3 4.36Å; I268-W272 PolarHBondContact O-N 3.2Å; Y269-W272 AromaticContact CD1-CE3 3.71Å; Y269-W272 HydrophobicContact CD1-CE3 3.71Å; Y269-W272 AromaticContact CD1-CZ3 3.68Å; Y269-W272 HydrophobicContact CD1-CZ3 3.68Å; Y269-W272 HydrophobicContact CE1-CE3 4.27Å; Y269-W272 HydrophobicContact CE1-CH2 4.47Å; Y269-W272 AromaticContact CE1-CZ3 3.76Å; Y269-W272 HydrophobicContact CE1-CZ3 3.76Å; Y269-W272 PolarHBondContact O-N 2.92Å; W272-T274 PolarHBondContact O-N 2.96Å; W272-Q275 CarbonylContact O-C 3.55Å; W272-Q275 PolarHBondContact O-N 3.48Å; W272-H276 WeakPolarHBondContact O-CB 3.24Å; W272-H276 PolarHBondContact O-CD2 3.04Å; W272-H276 VanDerWaalsContact O-CD2 3.29Å; W272-H276 PolarHBondContact O-N 3.4Å; W272-I278 HydrophobicContact CB-CD1 4.09Å
273A98.2Very high97.9Very high12 Ų1244 Ų4410%0.09923%0.23CC..Hα-helixtrans-70.5-17.2179.200000114.4Y269 A270 K271 Q275 I278 F280 L287Y269-A273 WeakPolarHBondContact O-CB 3.47Å; Y269-A273 PolarHBondContact O-N 2.81Å; A270-A273 PolarHBondContact O-N 3.22Å; K271-A273 VanDerWaalsContact C-N 3.26Å; K271-A273 PolarHBondContact O-N 3.16Å; A273-Q275 VanDerWaalsContact C-N 3.32Å; A273-I278 HydrophobicContact CB-CB 3.92Å; A273-I278 HydrophobicContact CB-CG2 4.32Å; A273-F280 HydrophobicContact CB-CE2 3.75Å; A273-L287 HydrophobicContact CB-CD1 3.51Å; A273-L287 HydrophobicContact CB-CD2 4.22Å
274T97.3Very high97.9Very high93 Ų9347.1 Ų47.157%0.57125%0.251SS*.THydrogen-bonded Turntrans-82.4-13168.770.40000112.9A270 K271 W272 L287A270-T274 PolarHBondContact O-N 3.36Å; K271-T274 PolarHBondContact O-N 3.28Å; K271-T274 PolarHBondContact O-OG1 2.91Å; W272-T274 PolarHBondContact O-N 2.96Å; T274-L287 HydrophobicContact CG2-CB 4.34Å
275Q96.8Very high97.9Very high115 Ų11546.4 Ų46.454%0.53725%0.245SC..THydrogen-bonded Turntrans-111.6-21.3-174.4-62.8177.2-36.700112.8K271 W272 A273K271-Q275 WeakPolarHBondContact O-CG 3.49Å; W272-Q275 CarbonylContact O-C 3.55Å; W272-Q275 PolarHBondContact O-N 3.48Å; A273-Q275 VanDerWaalsContact C-N 3.32Å
276H96.7Very high97.6Very high96 Ų9655.6 Ų55.644%0.44429%0.285SS..SBendtrans-130.5162-175.8-59.4-78.5000110.4W272 I278W272-H276 WeakPolarHBondContact O-CB 3.24Å; W272-H276 PolarHBondContact O-CD2 3.04Å; W272-H276 VanDerWaalsContact O-CD2 3.29Å; W272-H276 PolarHBondContact O-N 3.4Å; H276-I278 HydrophobicContact CB-CD1 3.92Å; H276-I278 HydrophobicContact CB-CG1 3.92Å; H276-I278 PolarHBondContact O-N 3.42Å
277N98.1Very high97.1Very high85 Ų8561.5 Ų61.546%0.45532%0.316SS..SBendtrans-78.568.2179.6-165.8-2.2000111.6I214I214-N277 PolarHBondContact N-O 3.36Å
278I98.7Very high97.1Very high7 Ų762.6 Ų62.64%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-116126-178.2-52.2174.1000109M204 M208 I214 V216 W272 A273 H276 F280M204-I278 HydrophobicContact CE-CD1 4.12Å; M204-I278 HydrophobicContact CE-CG2 4.06Å; M208-I278 HydrophobicContact CG-CD1 4.15Å; M208-I278 HydrophobicContact SD-CD1 3.99Å; I214-I278 HydrophobicContact CB-CG1 4.25Å; I214-I278 HydrophobicContact CB-CG2 4.41Å; I214-I278 HydrophobicContact CD1-CG1 4.16Å; I214-I278 HydrophobicContact CG2-CG2 4.38Å; I214-I278 CarbonylContact O-C 3.16Å; I214-I278 WeakPolarHBondContact O-CA 3.36Å; V216-I278 HydrophobicContact CG2-CG2 3.99Å; W272-I278 HydrophobicContact CB-CD1 4.09Å; A273-I278 HydrophobicContact CB-CB 3.92Å; A273-I278 HydrophobicContact CB-CG2 4.32Å; H276-I278 HydrophobicContact CB-CD1 3.92Å; H276-I278 HydrophobicContact CB-CG1 3.92Å; H276-I278 PolarHBondContact O-N 3.42Å; I278-F280 HydrophobicContact CG2-CE2 3.8Å; I278-F280 HydrophobicContact CG2-CZ 3.88Å
279Q98.4Very high97Very high93 Ų9365.5 Ų65.544%0.43533%0.33SS..EExtended strand (participates in β ladder)trans-120.9144.7175.9-63.1-177.23.900110.3I214 T215 V216I214-Q279 PolarHBondContact O-N 3.48Å; T215-Q279 CarbonylContact C-O 3.55Å; T215-Q279 WeakPolarHBondContact CA-O 3.41Å; V216-Q279 PolarHBondContact N-O 3.29Å
280F98.8Very high96.9Very high10 Ų1069 Ų694%0.04435%0.348CS..EExtended strand (participates in β ladder)trans-111.9136.5176.3-64-92.9000110.5V216 M219 A273 I278 T284 W285V216-F280 HydrophobicContact CB-CD1 3.54Å; V216-F280 HydrophobicContact CB-CE1 3.68Å; V216-F280 HydrophobicContact CB-CG 4.34Å; V216-F280 HydrophobicContact CG1-CD1 3.83Å; V216-F280 HydrophobicContact CG1-CE1 3.83Å; V216-F280 HydrophobicContact CG2-CD1 4.08Å; V216-F280 HydrophobicContact CG2-CE1 3.75Å; V216-F280 HydrophobicContact CG2-CZ 4.26Å; V216-F280 CarbonylContact O-C 3.56Å; V216-F280 WeakPolarHBondContact O-CA 3.42Å; M219-F280 HydrophobicContact CB-CD1 4.32Å; M219-F280 HydrophobicContact SD-CE1 4Å; A273-F280 HydrophobicContact CB-CE2 3.75Å; I278-F280 HydrophobicContact CG2-CE2 3.8Å; I278-F280 HydrophobicContact CG2-CZ 3.88Å; F280-T284 WeakPolarHBondContact O-CA 3.48Å; F280-W285 HydrophobicContact CB-CB 4.01Å; F280-W285 HydrophobicContact CB-CD2 4Å; F280-W285 HydrophobicContact CB-CG 3.53Å; F280-W285 AromaticContact CD1-CD2 3.85Å; F280-W285 HydrophobicContact CD1-CD2 3.85Å; F280-W285 AromaticContact CD1-CE2 3.47Å; F280-W285 VanDerWaalsContact CD1-CE2 3.47Å; F280-W285 HydrophobicContact CD1-CE3 4.36Å; F280-W285 HydrophobicContact CD1-CG 4.31Å; F280-W285 HydrophobicContact CD1-CH2 4.2Å; F280-W285 AromaticContact CD1-CZ2 3.65Å; F280-W285 HydrophobicContact CD1-CZ2 3.65Å; F280-W285 AromaticContact CD1-NE1 3.73Å; F280-W285 HydrophobicContact CD2-CB 4.17Å; F280-W285 AromaticContact CD2-CD2 3.64Å; F280-W285 HydrophobicContact CD2-CD2 3.64Å; F280-W285 AromaticContact CD2-CE3 3.78Å; F280-W285 HydrophobicContact CD2-CE3 3.78Å; F280-W285 AromaticContact CD2-CG 3.85Å; F280-W285 HydrophobicContact CD2-CG 3.85Å; F280-W285 HydrophobicContact CD2-CZ3 4.4Å; F280-W285 HydrophobicContact CE1-CD2 4.26Å; F280-W285 AromaticContact CE1-CE2 3.9Å; F280-W285 HydrophobicContact CE1-CE3 4.35Å; F280-W285 AromaticContact CE1-CH2 3.76Å; F280-W285 HydrophobicContact CE1-CH2 3.76Å; F280-W285 AromaticContact CE1-CZ2 3.63Å; F280-W285 HydrophobicContact CE1-CZ2 3.63Å; F280-W285 HydrophobicContact CE1-CZ3 4.12Å; F280-W285 HydrophobicContact CE2-CD2 4.05Å; F280-W285 AromaticContact CE2-CE3 3.74Å; F280-W285 HydrophobicContact CE2-CE3 3.74Å; F280-W285 HydrophobicContact CE2-CH2 4.43Å; F280-W285 AromaticContact CE2-CZ3 3.96Å; F280-W285 HydrophobicContact CE2-CZ3 3.96Å; F280-W285 HydrophobicContact CG-CB 4.29Å; F280-W285 AromaticContact CG-CD1 3.8Å; F280-W285 AromaticContact CG-CD2 3.55Å; F280-W285 HydrophobicContact CG-CD2 3.55Å; F280-W285 AromaticContact CG-CE2 3.64Å; F280-W285 HydrophobicContact CG-CE3 4.12Å; F280-W285 AromaticContact CG-CG 3.64Å; F280-W285 HydrophobicContact CG-CG 3.64Å; F280-W285 HydrophobicContact CG-CZ2 4.24Å; F280-W285 AromaticContact CG-NE1 3.77Å; F280-W285 HydrophobicContact CZ-CD2 4.37Å; F280-W285 HydrophobicContact CZ-CE3 4.06Å; F280-W285 AromaticContact CZ-CH2 3.91Å; F280-W285 HydrophobicContact CZ-CH2 3.91Å; F280-W285 HydrophobicContact CZ-CZ2 4.2Å; F280-W285 AromaticContact CZ-CZ3 3.84Å; F280-W285 HydrophobicContact CZ-CZ3 3.84Å
281K98.5Very high96.8Very high58 Ų5871.8 Ų71.825%0.25236%0.358SS..EExtended strand (participates in β ladder)trans-132.9149.9177.5-68.8-169.4166.7-170.40110.6E79 T215 V216 Y217 G218 P283E79-K281 VanDerWaalsContact CD-NZ 3.25Å; E79-K281 IonicContact OE1-NZ 3.45Å; E79-K281 PolarHBondContact OE1-NZ 3.23Å; E79-K281 IonicContact OE2-NZ 2.76Å; E79-K281 PolarHBondContact OE2-NZ 2.79Å; E79-K281 VanDerWaalsContact OE2-NZ 3.13Å; T215-K281 HydrophobicContact CG2-CD 3.95Å; T215-K281 HydrophobicContact CG2-CG 4.05Å; V216-K281 PolarHBondContact O-N 3.1Å; Y217-K281 WeakPolarHBondContact CA-O 3.46Å; Y217-K281 HydrophobicContact CD1-CB 4.02Å; Y217-K281 HydrophobicContact CE1-CB 4.1Å; Y217-K281 HydrophobicContact CE1-CD 3.91Å; G218-K281 PolarHBondContact N-O 2.93Å; K281-P283 CarbonylContact C-O 3.58Å; K281-P283 VanDerWaalsContact C-O 3.26Å
282H96.8Very high96.8Very high65 Ų6570.4 Ų70.430%0.30135%0.354SS..SBendtrans51.165177.9-53.3-82.2000113.2Q70 M71 A74 Y217 G218Q70-H282 WeakPolarHBondContact CB-O 3.44Å; M71-H282 HydrophobicContact SD-CB 4.33Å; A74-H282 HydrophobicContact CB-CB 4.19Å; A74-H282 PolarHBondContact O-CE1 2.77Å; Y217-H282 AromaticContact CD1-CD2 3.91Å; G218-H282 WeakPolarHBondContact CA-O 3.37Å; G218-H282 PolarHBondContact N-O 3.41Å
283P97Very high96.6Very high29 Ų2974.5 Ų74.519%0.18838%0.376CS..SBendcis-89.5162.52.534.7-37.1000114.2M219 I220 Y224 K281M219-P283 WeakPolarHBondContact O-CD 3.46Å; I220-P283 HydrophobicContact CG2-CG 4.06Å; Y224-P283 HydrophobicContact CD2-CG 4.28Å; Y224-P283 HydrophobicContact CE2-CG 4.05Å; K281-P283 CarbonylContact C-O 3.58Å; K281-P283 VanDerWaalsContact C-O 3.26Å
284T97.2Very high96.5Very high107 Ų10778.9 Ų78.966%0.65640%0.395SS*.PPolyproline II helixtrans-74.7132.9169.3-60.10000110.8F280F280-T284 WeakPolarHBondContact O-CA 3.48Å
285W96.9Very high96.5Very high18 Ų1877.8 Ų77.87%0.06838%0.382CS..PPolyproline II helixtrans-84.4143.8177-69.422000110.7M219 I220 D221 K266 Y269 A270 F280 L287M219-W285 HydrophobicContact CB-CZ2 4.28Å; M219-W285 HydrophobicContact CG-CZ2 3.89Å; M219-W285 PolarHBondContact O-NE1 3.17Å; M219-W285 HydrophobicContact SD-CH2 4.31Å; M219-W285 HydrophobicContact SD-CZ2 4.01Å; I220-W285 VanDerWaalsContact C-CZ2 3.44Å; I220-W285 WeakPolarHBondContact O-CZ2 3.5Å; D221-W285 HydrophobicContact CB-CD2 3.62Å; D221-W285 HydrophobicContact CB-CE3 3.93Å; D221-W285 HydrophobicContact CB-CG 3.95Å; D221-W285 HydrophobicContact CB-CZ2 4.25Å; D221-W285 HydrophobicContact CB-CZ3 4.36Å; K266-W285 HydrophobicContact CB-CH2 3.93Å; K266-W285 HydrophobicContact CG-CH2 4.09Å; K266-W285 HydrophobicContact CG-CZ2 4.4Å; K266-W285 WeakPolarHBondContact O-CZ3 3.19Å; Y269-W285 HydrophobicContact CD2-CH2 4.36Å; A270-W285 HydrophobicContact CB-CE3 4.16Å; A270-W285 HydrophobicContact CB-CZ3 3.94Å; F280-W285 HydrophobicContact CB-CB 4.01Å; F280-W285 HydrophobicContact CB-CD2 4Å; F280-W285 HydrophobicContact CB-CG 3.53Å; F280-W285 AromaticContact CD1-CD2 3.85Å; F280-W285 HydrophobicContact CD1-CD2 3.85Å; F280-W285 AromaticContact CD1-CE2 3.47Å; F280-W285 VanDerWaalsContact CD1-CE2 3.47Å; F280-W285 HydrophobicContact CD1-CE3 4.36Å; F280-W285 HydrophobicContact CD1-CG 4.31Å; F280-W285 HydrophobicContact CD1-CH2 4.2Å; F280-W285 AromaticContact CD1-CZ2 3.65Å; F280-W285 HydrophobicContact CD1-CZ2 3.65Å; F280-W285 AromaticContact CD1-NE1 3.73Å; F280-W285 HydrophobicContact CD2-CB 4.17Å; F280-W285 AromaticContact CD2-CD2 3.64Å; F280-W285 HydrophobicContact CD2-CD2 3.64Å; F280-W285 AromaticContact CD2-CE3 3.78Å; F280-W285 HydrophobicContact CD2-CE3 3.78Å; F280-W285 AromaticContact CD2-CG 3.85Å; F280-W285 HydrophobicContact CD2-CG 3.85Å; F280-W285 HydrophobicContact CD2-CZ3 4.4Å; F280-W285 HydrophobicContact CE1-CD2 4.26Å; F280-W285 AromaticContact CE1-CE2 3.9Å; F280-W285 HydrophobicContact CE1-CE3 4.35Å; F280-W285 AromaticContact CE1-CH2 3.76Å; F280-W285 HydrophobicContact CE1-CH2 3.76Å; F280-W285 AromaticContact CE1-CZ2 3.63Å; F280-W285 HydrophobicContact CE1-CZ2 3.63Å; F280-W285 HydrophobicContact CE1-CZ3 4.12Å; F280-W285 HydrophobicContact CE2-CD2 4.05Å; F280-W285 AromaticContact CE2-CE3 3.74Å; F280-W285 HydrophobicContact CE2-CE3 3.74Å; F280-W285 HydrophobicContact CE2-CH2 4.43Å; F280-W285 AromaticContact CE2-CZ3 3.96Å; F280-W285 HydrophobicContact CE2-CZ3 3.96Å; F280-W285 HydrophobicContact CG-CB 4.29Å; F280-W285 AromaticContact CG-CD1 3.8Å; F280-W285 AromaticContact CG-CD2 3.55Å; F280-W285 HydrophobicContact CG-CD2 3.55Å; F280-W285 AromaticContact CG-CE2 3.64Å; F280-W285 HydrophobicContact CG-CE3 4.12Å; F280-W285 AromaticContact CG-CG 3.64Å; F280-W285 HydrophobicContact CG-CG 3.64Å; F280-W285 HydrophobicContact CG-CZ2 4.24Å; F280-W285 AromaticContact CG-NE1 3.77Å; F280-W285 HydrophobicContact CZ-CD2 4.37Å; F280-W285 HydrophobicContact CZ-CE3 4.06Å; F280-W285 AromaticContact CZ-CH2 3.91Å; F280-W285 HydrophobicContact CZ-CH2 3.91Å; F280-W285 HydrophobicContact CZ-CZ2 4.2Å; F280-W285 AromaticContact CZ-CZ3 3.84Å; F280-W285 HydrophobicContact CZ-CZ3 3.84Å; W285-L287 HydrophobicContact CB-CD2 4.12Å; W285-L287 HydrophobicContact CB-CG 4.44Å; W285-L287 HydrophobicContact CE3-CD2 4Å
286K91.6Very high96.4Very high196 Ų19674.8 Ų74.885%0.85237%0.369SS*.  trans-98.1104.8167-63.4-176179.7-175.50107.1
287L88.7Confident96.4Very high133 Ų13372.8 Ų72.870%0.69636%0.362SS*.  trans-89.10-177.6-59176.6000111.2A270 A273 T274 W285A270-L287 HydrophobicContact CB-CD2 4.03Å; A273-L287 HydrophobicContact CB-CD1 3.51Å; A273-L287 HydrophobicContact CB-CD2 4.22Å; T274-L287 HydrophobicContact CG2-CB 4.34Å; W285-L287 HydrophobicContact CB-CD2 4.12Å; W285-L287 HydrophobicContact CB-CG 4.44Å; W285-L287 HydrophobicContact CE3-CD2 4Å

Retrieved 287 of 287 residues in 208 ms (Link to these results)

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