A0A087XST3_POEFO Loading...

Protein JTB

Required for normal cytokinesis during mitosis. Plays a role in the regulation of cell proliferation. May be a component of the chromosomal passenger complex (CPC), a complex that acts as a key regulator of mitosis. The CPC complex has essential functions at the centromere in ensuring correct chromosome alignment and segregation and is required for chromatin-induced microtubule stabilization and spindle assembly. Increases AURKB activity. Inhibits apoptosis induced by TGFB1. Overexpression induces swelling of mitochondria and reduces mitochondrial membrane potential.

AlphaFold DB , UniProt , Accession A0A087XST3, Species POEFO (Poecilia formosa, Amazon molly), Gene JTB, Length 150 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
1M37Very low44.1Very low225 Ų225121.3 Ų121.3100%1.10868%0.675SS**  0110.50-78.1159.68000104.7
2E36.7Very low44.8Very low183 Ų183117.7 Ų117.786%0.85566%0.663SS**  trans-165.389166.1-130.677.799.400105.8D4E2-D4 PolarHBondContact O-N 2.7Å; E2-D4 VanDerWaalsContact O-N 3.16Å
3S39Very low45.8Very low127 Ų127119.8 Ų119.889%0.88865%0.654SS**  trans-83.489.8-178.7-55.90000108.2C5S3-C5 PolarHBondContact O-N 2.87Å
4D44Very low46.8Very low124 Ų124116.9 Ų116.966%0.66364%0.644SS**  trans-60.499.2178.6-116.6-12.5000110.9E2 R6E2-D4 PolarHBondContact O-N 2.7Å; E2-D4 VanDerWaalsContact O-N 3.16Å; D4-R6 VanDerWaalsContact C-N 3.29Å; D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 IonicContact OD2-NE 3.03Å
5C48.1Very low48Very low97 Ų97122.7 Ų122.766%0.65565%0.652SS**  trans-74.280.3175.6-165.20000109.7S3 I7S3-C5 PolarHBondContact O-N 2.87Å; C5-I7 VanDerWaalsContact C-N 3.35Å; C5-I7 PolarHBondContact O-N 3.37Å
6R48.7Very low49.5Very low167 Ų167120.3 Ų120.363%0.6364%0.644SS**  trans-90.629.4-174.5-98.4-169.8-160.9-127.111.7115.6D4D4-R6 VanDerWaalsContact C-N 3.29Å; D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 IonicContact OD2-NE 3.03Å
7I46.1Very low50.9Low86 Ų86119.8 Ų119.844%0.44164%0.64SS.*  trans-143.996.8170-54.6179.4000109.7C5 V9 A10 W134C5-I7 VanDerWaalsContact C-N 3.35Å; C5-I7 PolarHBondContact O-N 3.37Å; I7-V9 HydrophobicContact CG2-CB 4.39Å; I7-V9 HydrophobicContact CG2-CG2 3.25Å; I7-V9 PolarHBondContact O-N 2.8Å; I7-V9 VanDerWaalsContact O-N 3.08Å; I7-A10 HydrophobicContact CB-CB 4.28Å; I7-A10 HydrophobicContact CG2-CB 4.14Å; I7-A10 PolarHBondContact O-N 3.08Å; I7-A10 VanDerWaalsContact O-N 3.1Å; I7-W134 HydrophobicContact CG2-CH2 4.29Å
8P45.7Very low52.4Low106 Ų106119.3 Ų119.369%0.68864%0.637SS**Hα-helixtrans-64.8-16-178.924.8-32.3000113.3
9V48.8Very low53.9Low75 Ų75119.1 Ų119.146%0.45564%0.635SS.*Hα-helixtrans-80.9-10.5176.4-730000114.3I7 R13 W134I7-V9 HydrophobicContact CG2-CB 4.39Å; I7-V9 HydrophobicContact CG2-CG2 3.25Å; I7-V9 PolarHBondContact O-N 2.8Å; I7-V9 VanDerWaalsContact O-N 3.08Å; V9-R13 VanDerWaalsContact O-CG 3.29Å; V9-R13 WeakPolarHBondContact O-CG 3Å; V9-W134 HydrophobicContact CG2-CH2 3.93Å; V9-W134 HydrophobicContact CG2-CZ2 4.49Å; V9-W134 HydrophobicContact CG2-CZ3 4.48Å
10A45.7Very low55.1Low46 Ų46118.5 Ų118.538%0.3863%0.628SS.*Hα-helixtrans-92.3-30.1-175.900000114.4I7 R13I7-A10 HydrophobicContact CB-CB 4.28Å; I7-A10 HydrophobicContact CG2-CB 4.14Å; I7-A10 PolarHBondContact O-N 3.08Å; I7-A10 VanDerWaalsContact O-N 3.1Å; A10-R13 WeakPolarHBondContact O-CB 3.23Å
11C45.4Very low56.5Low98 Ų98116 Ų11666%0.66262%0.624SS**Hα-helixtrans-81.8-26.4177.7-110.90000113.2P14C11-P14 WeakPolarHBondContact O-CD 3.04Å
12C52.3Low58.7Low78 Ų78110 Ų11053%0.52760%0.597SS.*SBendtrans-81.3-14.2172-710000113.2P14 R15 V16C12-P14 VanDerWaalsContact C-CD 3.48Å; C12-R15 PolarHBondContact O-N 2.7Å; C12-V16 HydrophobicContact CB-CG2 4.14Å; C12-V16 VanDerWaalsContact O-CB 3.28Å; C12-V16 WeakPolarHBondContact O-CB 3.22Å; C12-V16 WeakPolarHBondContact O-CG2 3.28Å; C12-V16 PolarHBondContact O-N 3.18Å
13R58.3Low61Low145 Ų145107.5 Ų107.555%0.54758%0.583SS.*Hα-helixtrans-55.8-45.2-175.6-109.7174.7-172.5175.9-0.6115.1V9 A10 L17V9-R13 VanDerWaalsContact O-CG 3.29Å; V9-R13 WeakPolarHBondContact O-CG 3Å; A10-R13 WeakPolarHBondContact O-CB 3.23Å; R13-L17 WeakPolarHBondContact O-CB 3.44Å; R13-L17 WeakPolarHBondContact O-CD1 3.36Å; R13-L17 WeakPolarHBondContact O-CG 3.05Å; R13-L17 PolarHBondContact O-N 2.79Å
14P60.2Low63.2Low80 Ų80107.9 Ų107.952%0.51957%0.565SS.*Hα-helixtrans-67.5-46.3-176.7-4.914.8000110.7C11 C12 L17 L18C11-P14 WeakPolarHBondContact O-CD 3.04Å; C12-P14 VanDerWaalsContact C-CD 3.48Å; P14-L17 PolarHBondContact O-N 3.4Å; P14-L18 WeakPolarHBondContact O-CB 3.41Å; P14-L18 PolarHBondContact O-N 3.35Å
15R64.6Low65.2Low203 Ų203103.9 Ų103.977%0.76655%0.553SS**Hα-helixtrans-68.3-40180-72.5-176.4175.1145.7-1112.3C12 L18 L19C12-R15 PolarHBondContact O-N 2.7Å; R15-L18 PolarHBondContact O-N 3.49Å; R15-L19 WeakPolarHBondContact O-CB 3.39Å; R15-L19 WeakPolarHBondContact O-CG 3.19Å; R15-L19 PolarHBondContact O-N 3.12Å
16V71.8Confident66.8Low85 Ų85104.5 Ų104.552%0.51555%0.549SS..Hα-helixtrans-67.3-41.7176.1172.40000110.9C12 L19 H20C12-V16 HydrophobicContact CB-CG2 4.14Å; C12-V16 VanDerWaalsContact O-CB 3.28Å; C12-V16 WeakPolarHBondContact O-CB 3.22Å; C12-V16 WeakPolarHBondContact O-CG2 3.28Å; C12-V16 PolarHBondContact O-N 3.18Å; V16-L19 PolarHBondContact O-N 2.72Å; V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 2.85Å
17L73.1Confident68.4Low112 Ų11299.2 Ų99.259%0.58654%0.535SS*.Hα-helixtrans-65.6-38.3175-71.3169.5000112R13 P14 H20 A21R13-L17 WeakPolarHBondContact O-CB 3.44Å; R13-L17 WeakPolarHBondContact O-CD1 3.36Å; R13-L17 WeakPolarHBondContact O-CG 3.05Å; R13-L17 PolarHBondContact O-N 2.79Å; P14-L17 PolarHBondContact O-N 3.4Å; L17-H20 PolarHBondContact O-N 2.79Å; L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 2.88Å
18L77.6Confident70Confident110 Ų11097.5 Ų97.558%0.57653%0.531SS*.Hα-helixtrans-65.1-46.5174.7-124146.8000111.4P14 R15 H20 A21 L22P14-L18 WeakPolarHBondContact O-CB 3.41Å; P14-L18 PolarHBondContact O-N 3.35Å; R15-L18 PolarHBondContact O-N 3.49Å; L18-H20 VanDerWaalsContact C-N 3.31Å; L18-H20 PolarHBondContact O-N 3.35Å; L18-A21 PolarHBondContact O-N 2.03Å; L18-L22 HydrophobicContact CD2-CD1 3.95Å; L18-L22 HydrophobicContact CD2-CG 4.28Å; L18-L22 VanDerWaalsContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CB 3.08Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.6Å
19L80.8Confident71.4Confident115 Ų11598.6 Ų98.660%0.60253%0.53SS*.Hα-helixtrans-63.7-38.7176.4-71.9170.8000111.6R15 V16 F23R15-L19 WeakPolarHBondContact O-CB 3.39Å; R15-L19 WeakPolarHBondContact O-CG 3.19Å; R15-L19 PolarHBondContact O-N 3.12Å; V16-L19 PolarHBondContact O-N 2.72Å; L19-F23 VanDerWaalsContact O-CB 3.24Å; L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 3.2Å
20H78.9Confident72.6Confident107 Ų107104.3 Ų104.350%0.49554%0.544SS..Hα-helixtrans-67.2-46.8175.6-155-109.4000110.6V16 L17 L18 L22 F23 W24V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 2.85Å; L17-H20 PolarHBondContact O-N 2.79Å; L18-H20 VanDerWaalsContact C-N 3.31Å; L18-H20 PolarHBondContact O-N 3.35Å; H20-L22 VanDerWaalsContact C-N 3.33Å; H20-L22 PolarHBondContact O-N 3.03Å; H20-F23 PolarHBondContact O-N 3.28Å; H20-W24 AromaticContact CD2-NE1 3.76Å; H20-W24 AromaticContact CE1-CD1 3.43Å; H20-W24 VanDerWaalsContact CE1-CD1 3.43Å; H20-W24 AromaticContact CE1-CE2 3.98Å; H20-W24 AromaticContact CE1-NE1 2.88Å; H20-W24 PolarHBondContact CE1-NE1 2.94Å; H20-W24 AromaticContact CG-CD1 3.71Å; H20-W24 AromaticContact CG-NE1 3.8Å; H20-W24 AromaticContact ND1-CD1 3.25Å; H20-W24 VanDerWaalsContact ND1-CD1 3.25Å; H20-W24 AromaticContact ND1-NE1 3.26Å; H20-W24 PolarHBondContact ND1-NE1 2.94Å; H20-W24 AromaticContact NE2-CD1 3.91Å; H20-W24 AromaticContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact NE2-NE1 2.69Å; H20-W24 VanDerWaalsContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact O-N 2.98Å
21A83Confident73.9Confident66 Ų66106.6 Ų106.655%0.54555%0.553SS.*Hα-helixtrans-61.5-40.1175.800000112.3L17 L18 G25L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 2.03Å; A21-G25 WeakPolarHBondContact O-CA 3.05Å; A21-G25 PolarHBondContact O-N 2.83Å
22L84.3Confident74.7Confident101 Ų101108.8 Ų108.853%0.52955%0.551SS.*Hα-helixtrans-64.6-42.8173.6-74170.1000111.5L18 H20 G25 L26L18-L22 HydrophobicContact CD2-CD1 3.95Å; L18-L22 HydrophobicContact CD2-CG 4.28Å; L18-L22 VanDerWaalsContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CB 3.08Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.6Å; H20-L22 VanDerWaalsContact C-N 3.33Å; H20-L22 PolarHBondContact O-N 3.03Å; L22-G25 PolarHBondContact O-N 3.09Å; L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 PolarHBondContact O-N 2.9Å
23F84.9Confident75.3Confident130 Ų130106.2 Ų106.257%0.5754%0.538SS*.Hα-helixtrans-63.8-50.4177.5-179.8-99.7000111.6L19 H20 G25 L26 V27L19-F23 VanDerWaalsContact O-CB 3.24Å; L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 3.2Å; H20-F23 PolarHBondContact O-N 3.28Å; F23-G25 VanDerWaalsContact C-N 3.32Å; F23-G25 PolarHBondContact O-N 2.96Å; F23-L26 PolarHBondContact O-N 2.73Å; F23-V27 HydrophobicContact CD1-CG2 4.35Å; F23-V27 HydrophobicContact CE1-CG2 4.03Å; F23-V27 HydrophobicContact CE2-CG2 4.36Å; F23-V27 HydrophobicContact CZ-CG2 4.04Å; F23-V27 WeakPolarHBondContact O-CB 3.38Å; F23-V27 VanDerWaalsContact O-CG2 3.27Å; F23-V27 WeakPolarHBondContact O-CG2 3.33Å; F23-V27 PolarHBondContact O-N 3.03Å
24W84.6Confident75.4Confident135 Ų135102.5 Ų102.551%0.51154%0.538SS..Hα-helixtrans-65.7-34.3176.6-74.9101.8000112.4H20 S28H20-W24 AromaticContact CD2-NE1 3.76Å; H20-W24 AromaticContact CE1-CD1 3.43Å; H20-W24 VanDerWaalsContact CE1-CD1 3.43Å; H20-W24 AromaticContact CE1-CE2 3.98Å; H20-W24 AromaticContact CE1-NE1 2.88Å; H20-W24 PolarHBondContact CE1-NE1 2.94Å; H20-W24 AromaticContact CG-CD1 3.71Å; H20-W24 AromaticContact CG-NE1 3.8Å; H20-W24 AromaticContact ND1-CD1 3.25Å; H20-W24 VanDerWaalsContact ND1-CD1 3.25Å; H20-W24 AromaticContact ND1-NE1 3.26Å; H20-W24 PolarHBondContact ND1-NE1 2.94Å; H20-W24 AromaticContact NE2-CD1 3.91Å; H20-W24 AromaticContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact NE2-NE1 2.69Å; H20-W24 VanDerWaalsContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact O-N 2.98Å; W24-S28 VanDerWaalsContact O-CB 3.27Å; W24-S28 WeakPolarHBondContact O-CB 3.41Å; W24-S28 PolarHBondContact O-N 3.19Å; W24-S28 PolarHBondContact O-OG 3.37Å
25G85.6Confident75.3Confident39 Ų39101.5 Ų101.540%0.40254%0.537SS..Hα-helixtrans-63.8-45171.500000112.4A21 L22 F23 S28 L29A21-G25 WeakPolarHBondContact O-CA 3.05Å; A21-G25 PolarHBondContact O-N 2.83Å; L22-G25 PolarHBondContact O-N 3.09Å; F23-G25 VanDerWaalsContact C-N 3.32Å; F23-G25 PolarHBondContact O-N 2.96Å; G25-S28 PolarHBondContact O-N 3.18Å; G25-L29 VanDerWaalsContact O-CB 3.3Å; G25-L29 WeakPolarHBondContact O-CB 2.97Å; G25-L29 PolarHBondContact O-N 3.25Å
26L82.4Confident75.1Confident110 Ų11097.6 Ų97.658%0.57653%0.53SS*.Hα-helixtrans-64.6-44.5176.6-125.192.1000111.8L22 F23 L29 R30L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 PolarHBondContact O-N 2.9Å; F23-L26 PolarHBondContact O-N 2.73Å; L26-L29 PolarHBondContact O-N 2.93Å; L26-R30 VanDerWaalsContact O-CG 3.3Å; L26-R30 WeakPolarHBondContact O-CG 3.3Å; L26-R30 PolarHBondContact O-N 3.32Å
27V81.9Confident74.3Confident57 Ų5799.2 Ų99.235%0.34554%0.536SS..Hα-helixtrans-61.8-46.8177.7170.10000110F23 R30 V31F23-V27 HydrophobicContact CD1-CG2 4.35Å; F23-V27 HydrophobicContact CE1-CG2 4.03Å; F23-V27 HydrophobicContact CE2-CG2 4.36Å; F23-V27 HydrophobicContact CZ-CG2 4.04Å; F23-V27 WeakPolarHBondContact O-CB 3.38Å; F23-V27 VanDerWaalsContact O-CG2 3.27Å; F23-V27 WeakPolarHBondContact O-CG2 3.33Å; F23-V27 PolarHBondContact O-N 3.03Å; V27-R30 PolarHBondContact O-N 2.99Å; V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.43Å; V27-V31 PolarHBondContact O-N 3.21Å
28S79.6Confident73.5Confident50 Ų5097.9 Ų97.935%0.3554%0.535SS..Hα-helixtrans-59.7-49.5175.8-58.10000110.8W24 G25 R30 V31 F32W24-S28 VanDerWaalsContact O-CB 3.27Å; W24-S28 WeakPolarHBondContact O-CB 3.41Å; W24-S28 PolarHBondContact O-N 3.19Å; W24-S28 PolarHBondContact O-OG 3.37Å; G25-S28 PolarHBondContact O-N 3.18Å; S28-R30 VanDerWaalsContact C-N 3.26Å; S28-R30 PolarHBondContact O-N 3.32Å; S28-V31 PolarHBondContact O-N 3.32Å; S28-F32 WeakPolarHBondContact O-CB 3.22Å; S28-F32 WeakPolarHBondContact O-CD2 3.44Å; S28-F32 PolarHBondContact O-N 3.09Å
29L76.8Confident72.3Confident128 Ų12899.7 Ų99.767%0.6754%0.541SS*.Hα-helixtrans-59.7-35.3179.5-171.767.9000112.6G25 L26 G33G25-L29 VanDerWaalsContact O-CB 3.3Å; G25-L29 WeakPolarHBondContact O-CB 2.97Å; G25-L29 PolarHBondContact O-N 3.25Å; L26-L29 PolarHBondContact O-N 2.93Å; L29-G33 VanDerWaalsContact O-CA 3.23Å; L29-G33 WeakPolarHBondContact O-CA 3.37Å; L29-G33 PolarHBondContact O-N 3.07Å
30R73.7Confident70.7Confident196 Ų196100.9 Ų100.974%0.7454%0.544SS*.Hα-helixtrans-72.6-42.2176.3-71.6-66.9-176.2-170-0.4112.6L26 V27 S28 A34L26-R30 VanDerWaalsContact O-CG 3.3Å; L26-R30 WeakPolarHBondContact O-CG 3.3Å; L26-R30 PolarHBondContact O-N 3.32Å; V27-R30 PolarHBondContact O-N 2.99Å; S28-R30 VanDerWaalsContact C-N 3.26Å; S28-R30 PolarHBondContact O-N 3.32Å; R30-A34 VanDerWaalsContact O-CB 3.23Å; R30-A34 WeakPolarHBondContact O-CB 3.3Å; R30-A34 PolarHBondContact O-N 3.19Å
31V72.9Confident69Low94 Ų94103 Ų10357%0.5755%0.551SS**Hα-helixtrans-69.4-49.6179.1174.30000110.7V27 S28 A34 A35V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.43Å; V27-V31 PolarHBondContact O-N 3.21Å; S28-V31 PolarHBondContact O-N 3.32Å; V31-A34 PolarHBondContact O-N 2.01Å; V31-A35 PolarHBondContact O-N 3.46Å
32F62Low67.3Low143 Ų143104.6 Ų104.663%0.62755%0.554SS**Hα-helixtrans-70.7-36.7177.7-71.8-73.9000112.3S28 A34 A35 L36S28-F32 WeakPolarHBondContact O-CB 3.22Å; S28-F32 WeakPolarHBondContact O-CD2 3.44Å; S28-F32 PolarHBondContact O-N 3.09Å; F32-A34 VanDerWaalsContact C-N 3.35Å; F32-A34 PolarHBondContact O-N 2.91Å; F32-A35 WeakPolarHBondContact O-CB 3.28Å; F32-A35 PolarHBondContact O-N 3.47Å; F32-L36 PolarHBondContact O-N 3.46Å
33G63.5Low65.3Low25 Ų25105.7 Ų105.726%0.25857%0.565SS.*Hα-helixtrans-65.8-35.117500000113L29 A35 L36 L37L29-G33 VanDerWaalsContact O-CA 3.23Å; L29-G33 WeakPolarHBondContact O-CA 3.37Å; L29-G33 PolarHBondContact O-N 3.07Å; G33-A35 VanDerWaalsContact C-N 3.32Å; G33-L36 PolarHBondContact O-N 3.45Å; G33-L37 WeakPolarHBondContact O-CB 3.45Å; G33-L37 WeakPolarHBondContact O-CG 3Å; G33-L37 PolarHBondContact O-N 3.3Å
34A60.3Low63.4Low66 Ų66103.9 Ų103.955%0.54557%0.574SS.*Hα-helixtrans-66.2-34171.800000112.3R30 V31 F32 S38R30-A34 VanDerWaalsContact O-CB 3.23Å; R30-A34 WeakPolarHBondContact O-CB 3.3Å; R30-A34 PolarHBondContact O-N 3.19Å; V31-A34 PolarHBondContact O-N 2.01Å; F32-A34 VanDerWaalsContact C-N 3.35Å; F32-A34 PolarHBondContact O-N 2.91Å; A34-S38 PolarHBondContact O-N 2.72Å
35A60.1Low61.6Low59 Ų59103.5 Ų103.549%0.48859%0.586SS.*Hα-helixtrans-68.1-46.1174.300000111.9V31 F32 G33 S38 E39V31-A35 PolarHBondContact O-N 3.46Å; F32-A35 WeakPolarHBondContact O-CB 3.28Å; F32-A35 PolarHBondContact O-N 3.47Å; G33-A35 VanDerWaalsContact C-N 3.32Å; A35-S38 VanDerWaalsContact O-CB 3.31Å; A35-S38 WeakPolarHBondContact O-CB 3.43Å; A35-S38 PolarHBondContact O-N 2.92Å; A35-E39 PolarHBondContact O-N 2.04Å
36L58.9Low59.8Low122 Ų122110 Ų11064%0.63960%0.604SS**Hα-helixtrans-67.4-39.6179.7-68.4-176.4000113.3F32 G33 S38 E39 E40F32-L36 PolarHBondContact O-N 3.46Å; G33-L36 PolarHBondContact O-N 3.45Å; L36-S38 PolarHBondContact O-N 3.43Å; L36-E39 WeakPolarHBondContact O-CB 3Å; L36-E39 PolarHBondContact O-N 3.21Å; L36-E39 VanDerWaalsContact O-N 3.1Å; L36-E40 PolarHBondContact O-N 2.68Å
37L55.9Low58.1Low119 Ų119110.5 Ų110.562%0.62361%0.614SS**Hα-helixtrans-69.8-19.9174.9-72.5-178.9000113.3G33 E39G33-L37 WeakPolarHBondContact O-CB 3.45Å; G33-L37 WeakPolarHBondContact O-CG 3Å; G33-L37 PolarHBondContact O-N 3.3Å; L37-E39 VanDerWaalsContact C-N 3.32Å
38S56Low57.1Low83 Ų83113.3 Ų113.358%0.5863%0.631SS**Hα-helixtrans-69.9-33.4170.7-159.20000111.2A34 A35 L36A34-S38 PolarHBondContact O-N 2.72Å; A35-S38 VanDerWaalsContact O-CB 3.31Å; A35-S38 WeakPolarHBondContact O-CB 3.43Å; A35-S38 PolarHBondContact O-N 2.92Å; L36-S38 PolarHBondContact O-N 3.43Å
39E52.5Low56.9Low149 Ų149117 Ų11770%0.69665%0.651SS**Hα-helixtrans-75-37.3178.5-159.6155.2109.800112.2A35 L36 L37 K41 T42A35-E39 PolarHBondContact O-N 2.04Å; L36-E39 WeakPolarHBondContact O-CB 3Å; L36-E39 PolarHBondContact O-N 3.21Å; L36-E39 VanDerWaalsContact O-N 3.1Å; L37-E39 VanDerWaalsContact C-N 3.32Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 3.07Å; E39-T42 WeakPolarHBondContact O-CB 3.44Å; E39-T42 PolarHBondContact O-N 3.14Å; E39-T42 PolarHBondContact O-OG1 3.34Å
40E45.8Very low57.1Low140 Ų140112.9 Ų112.965%0.65464%0.635SS**Hα-helixtrans-69-26.5-179-164175.611800113.5L36 T42 T43L36-E40 PolarHBondContact O-N 2.68Å; E40-T42 PolarHBondContact O-N 3.05Å; E40-T43 PolarHBondContact O-OG1 2.62Å
41K44Very low57.8Low152 Ų152105.5 Ų105.566%0.66161%0.613SS**THydrogen-bonded Turntrans-78.636.5174-163.1165.5174.3175.70112.9E39E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 3.07Å
42T47.6Very low58.7Low99 Ų99101.6 Ų101.661%0.60759%0.59SS**THydrogen-bonded Turntrans-122.3-1.3176.6-31.50000112.7E39 E40 A44E39-T42 WeakPolarHBondContact O-CB 3.44Å; E39-T42 PolarHBondContact O-N 3.14Å; E39-T42 PolarHBondContact O-OG1 3.34Å; E40-T42 PolarHBondContact O-N 3.05Å; T42-A44 PolarHBondContact O-N 2.93Å
43T42.9Very low60Low124 Ų12497.9 Ų97.976%0.76157%0.572SS**  trans-96.459.2-178.850.10000112.9E40E40-T43 PolarHBondContact O-OG1 2.62Å
44A44.8Very low61.4Low92 Ų92102.1 Ų102.176%0.7659%0.587SS**  trans-139.173159.300000108.3T42 K46T42-A44 PolarHBondContact O-N 2.93Å; A44-K46 VanDerWaalsContact C-N 3.3Å; A44-K46 PolarHBondContact O-N 2.83Å
45V45.6Very low62.9Low126 Ų126105.2 Ų105.276%0.76459%0.594SS**  trans-72.487.8178.3-176.60000108.2
46K49Very low64.4Low175 Ų175103.9 Ų103.976%0.76158%0.578SS**  trans-56.4147.6148.6-95.4-176.6172.7-178.80107.3A44 V48A44-K46 VanDerWaalsContact C-N 3.3Å; A44-K46 PolarHBondContact O-N 2.83Å; K46-V48 VanDerWaalsContact C-N 3.35Å; K46-V48 WeakPolarHBondContact O-CG2 3.04Å; K46-V48 PolarHBondContact O-N 3.49Å
47P45.7Very low66.1Low121 Ų121104.4 Ų104.479%0.78658%0.582SS**  trans-60.2102.4176.526.5-32.1000107.6V49P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.26Å
48V60.4Low67.9Low117 Ų117102.2 Ų102.271%0.70957%0.567SS**  trans-75.496.4177.8179.50000104.9K46 A50K46-V48 VanDerWaalsContact C-N 3.35Å; K46-V48 WeakPolarHBondContact O-CG2 3.04Å; K46-V48 PolarHBondContact O-N 3.49Å; V48-A50 PolarHBondContact O-N 3.07Å
49V75.8Confident69.8Low127 Ų127102.3 Ų102.377%0.7756%0.564SS**PPolyproline II helixtrans-51.7117157.9178.40000105.4P47P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.26Å
50A82.1Confident71.8Confident42 Ų4298.5 Ų98.535%0.34755%0.55SS.*PPolyproline II helixtrans-53134.9-177.500000109.2V48 L55V48-A50 PolarHBondContact O-N 3.07Å; A50-L55 HydrophobicContact CB-CD1 4.24Å; A50-L55 HydrophobicContact CB-CD2 4.44Å; A50-L55 HydrophobicContact CB-CG 4.41Å
51P87.6Confident74.1Confident40 Ų4095.4 Ų95.426%0.2654%0.538SS..PPolyproline II helixtrans-65.1147.7-17526.5-32.8000110.5W53 L54P51-W53 VanDerWaalsContact C-N 3.27Å; P51-W53 HydrophobicContact CB-CD2 4.31Å; P51-W53 HydrophobicContact CB-CG 4.43Å; P51-W53 HydrophobicContact CB-CZ2 4.06Å; P51-W53 HydrophobicContact CG-CD2 4.2Å; P51-W53 HydrophobicContact CG-CH2 4.16Å; P51-W53 HydrophobicContact CG-CZ2 3.5Å; P51-W53 PolarHBondContact O-N 3.46Å; P51-L54 HydrophobicContact CG-CB 4.28Å; P51-L54 VanDerWaalsContact O-CB 3.3Å; P51-L54 WeakPolarHBondContact O-CB 3.49Å; P51-L54 PolarHBondContact O-N 3.41Å
52C91.8Very high76.3Confident13 Ų1392.2 Ų92.29%0.08853%0.525CS..Hα-helixtrans-60.4-36.6-170.465.60000112.8L54 L55 E56 C89 E96C52-L54 PolarHBondContact O-N 3.21Å; C52-L55 PolarHBondContact O-N 3.11Å; C52-E56 HydrophobicContact CB-CG 4.35Å; C52-E56 WeakPolarHBondContact CB-OE1 3.44Å; C52-E56 WeakPolarHBondContact O-CG 3.29Å; C52-E56 PolarHBondContact O-N 3.09Å; C52-C89 HydrophobicContact CB-CB 3.79Å; C52-C89 WeakPolarHBondContact CB-SG 3.4Å; C52-C89 WeakPolarHBondContact SG-CB 3.46Å; C52-C89 CovalentContact SG-SG 2.03Å; C52-C89 PolarHBondContact SG-SG 3.29Å; C52-E96 WeakPolarHBondContact SG-CG 3.42Å
53W90.6Very high78.4Confident65 Ų6595.1 Ų95.125%0.24653%0.532CS..Hα-helixtrans-64.9-10.8178.355.6-102.5000114.4P51 F58 V87 C89 K98P51-W53 VanDerWaalsContact C-N 3.27Å; P51-W53 HydrophobicContact CB-CD2 4.31Å; P51-W53 HydrophobicContact CB-CG 4.43Å; P51-W53 HydrophobicContact CB-CZ2 4.06Å; P51-W53 HydrophobicContact CG-CD2 4.2Å; P51-W53 HydrophobicContact CG-CH2 4.16Å; P51-W53 HydrophobicContact CG-CZ2 3.5Å; P51-W53 PolarHBondContact O-N 3.46Å; W53-F58 HydrophobicContact CB-CB 4.3Å; W53-F58 HydrophobicContact CB-CD1 3.66Å; W53-F58 HydrophobicContact CB-CE1 4.21Å; W53-F58 HydrophobicContact CB-CG 4.03Å; W53-V87 HydrophobicContact CB-CG2 4.05Å; W53-V87 HydrophobicContact CG-CG2 4.25Å; W53-C89 PolarHBondContact N-SG 3.47Å; W53-K98 HydrophobicContact CD2-CD 3.8Å; W53-K98 HydrophobicContact CD2-CG 4.43Å; W53-K98 HydrophobicContact CE3-CD 3.77Å; W53-K98 HydrophobicContact CG-CD 4.35Å; W53-K98 HydrophobicContact CH2-CD 4.2Å; W53-K98 HydrophobicContact CH2-CG 4.39Å; W53-K98 HydrophobicContact CZ2-CB 4.49Å; W53-K98 HydrophobicContact CZ2-CD 4.21Å; W53-K98 HydrophobicContact CZ2-CG 4.12Å; W53-K98 HydrophobicContact CZ3-CD 3.95Å
54L91.3Very high80.7Confident113 Ų11390.9 Ų90.959%0.59251%0.507SS*.Hα-helixtrans-86.2-22.5172-140.283.9000112.7P51 C52P51-L54 HydrophobicContact CG-CB 4.28Å; P51-L54 VanDerWaalsContact O-CB 3.3Å; P51-L54 WeakPolarHBondContact O-CB 3.49Å; P51-L54 PolarHBondContact O-N 3.41Å; C52-L54 PolarHBondContact O-N 3.21Å
55L91.9Very high82.9Confident131 Ų13191.3 Ų91.369%0.68650%0.497SS*.Hα-helixtrans-107-21.6-170.4-60.8172.5000112.5A50 C52A50-L55 HydrophobicContact CB-CD1 4.24Å; A50-L55 HydrophobicContact CB-CD2 4.44Å; A50-L55 HydrophobicContact CB-CG 4.41Å; C52-L55 PolarHBondContact O-N 3.11Å
56E93.1Very high85Confident31 Ų3194 Ų9415%0.14549%0.493CS..SBendtrans-144.3161.5-175.349.5173.5141.700112.1C52 C89 T90 K91 T92C52-E56 HydrophobicContact CB-CG 4.35Å; C52-E56 WeakPolarHBondContact CB-OE1 3.44Å; C52-E56 WeakPolarHBondContact O-CG 3.29Å; C52-E56 PolarHBondContact O-N 3.09Å; E56-C89 VanDerWaalsContact CD-CB 3.42Å; E56-C89 HydrophobicContact CG-CB 4.02Å; E56-C89 WeakPolarHBondContact OE1-CB 3.45Å; E56-T90 PolarHBondContact OE2-N 2.88Å; E56-K91 HydrophobicContact CB-CB 4.38Å; E56-K91 VanDerWaalsContact OE2-CA 3.22Å; E56-K91 WeakPolarHBondContact OE2-CA 3.41Å; E56-K91 WeakPolarHBondContact OE2-CB 3.17Å; E56-K91 PolarHBondContact OE2-N 3.3Å; E56-T92 WeakPolarHBondContact OE1-CB 3.31Å; E56-T92 WeakPolarHBondContact OE1-CG2 3.31Å; E56-T92 PolarHBondContact OE1-OG1 3.41Å; E56-T92 PolarHBondContact OE2-N 3.46Å; E56-T92 VanDerWaalsContact OE2-N 3.08Å
57N93.5Very high87Confident134 Ų13486.1 Ų86.172%0.71746%0.46SS*.  trans-63.1142.7172.3-68.1-45.5000110.1T90N57-T90 WeakPolarHBondContact O-CB 3.37Å; N57-T90 WeakPolarHBondContact O-CG2 3.38Å; N57-T90 PolarHBondContact O-N 3.48Å; N57-T90 PolarHBondContact O-OG1 3.29Å
58F94.1Very high89.1Confident73 Ų7383 Ų8332%0.3244%0.441SS..EExtended strand (participates in β ladder)trans-131.3157.1-179.663.5-91.1000110.9W53 V60 V87 N88W53-F58 HydrophobicContact CB-CB 4.3Å; W53-F58 HydrophobicContact CB-CD1 3.66Å; W53-F58 HydrophobicContact CB-CE1 4.21Å; W53-F58 HydrophobicContact CB-CG 4.03Å; F58-V60 HydrophobicContact CE2-CG2 4.24Å; F58-V87 HydrophobicContact CB-CB 4.22Å; F58-V87 HydrophobicContact CD2-CB 3.75Å; F58-V87 HydrophobicContact CD2-CG1 3.56Å; F58-V87 HydrophobicContact CD2-CG2 4.47Å; F58-V87 HydrophobicContact CE2-CG1 3.87Å; F58-V87 HydrophobicContact CG-CB 4.23Å; F58-V87 HydrophobicContact CG-CG1 4.43Å; F58-N88 CarbonylContact C-O 3.57Å; F58-N88 VanDerWaalsContact CA-O 3.23Å; F58-N88 WeakPolarHBondContact CA-O 3.47Å
59V95Very high90.5Very high85 Ų8583.4 Ų83.452%0.51544%0.439SS..EExtended strand (participates in β ladder)trans-115.3134.2173-177.90000108.2L61 V87 N88 T90V59-L61 PolarHBondContact O-N 3.17Å; V59-V87 CarbonylContact O-C 3.51Å; V59-V87 WeakPolarHBondContact O-CA 3.29Å; V59-N88 PolarHBondContact N-O 2.99Å; V59-N88 PolarHBondContact O-N 3.27Å; V59-T90 HydrophobicContact CG2-CG2 3.85Å
60V94.5Very high91.1Very high68 Ų6884.4 Ų84.441%0.41243%0.434SS..EExtended strand (participates in β ladder)trans-74.9120177.3-177.30000108.7F58 E62 V87F58-V60 HydrophobicContact CE2-CG2 4.24Å; V60-E62 VanDerWaalsContact CG1-O 3.28Å; V60-E62 WeakPolarHBondContact CG1-O 3.47Å; V60-V87 HydrophobicContact CG2-CG1 4.32Å
61L94.1Very high91.3Very high75 Ų7584.6 Ų84.639%0.39343%0.429SS..EExtended strand (participates in β ladder)trans-89.4-41.8176-69.6177.9000111.8V59 R86 N88 Q95V59-L61 PolarHBondContact O-N 3.17Å; L61-R86 HydrophobicContact CB-CB 4.49Å; L61-R86 HydrophobicContact CD1-CG 4.42Å; L61-R86 PolarHBondContact N-O 2.9Å; L61-N88 HydrophobicContact CD1-CB 3.79Å; L61-N88 HydrophobicContact CD2-CB 4.13Å; L61-N88 HydrophobicContact CG-CB 3.8Å; L61-Q95 HydrophobicContact CD1-CG 3.86Å
62E92Very high91.3Very high85 Ų8584.8 Ų84.840%0.39743%0.434SS..EExtended strand (participates in β ladder)trans-127.4129.2176.2-70.7175.9173.800108.8V60 R86V60-E62 VanDerWaalsContact CG1-O 3.28Å; V60-E62 WeakPolarHBondContact CG1-O 3.47Å; E62-R86 HydrophobicContact CB-CB 3.87Å; E62-R86 VanDerWaalsContact CD-NH2 3.31Å; E62-R86 HydrophobicContact CG-CB 4.3Å; E62-R86 PolarHBondContact N-O 2.99Å; E62-R86 PolarHBondContact O-N 3.42Å; E62-R86 IonicContact OE1-CZ 3.03Å; E62-R86 IonicContact OE1-NH1 2.72Å; E62-R86 PolarHBondContact OE1-NH1 3.35Å; E62-R86 IonicContact OE1-NH2 2.68Å; E62-R86 PolarHBondContact OE1-NH2 3.33Å; E62-R86 IonicContact OE2-CZ 2.72Å; E62-R86 IonicContact OE2-NE 3Å; E62-R86 IonicContact OE2-NH1 2.62Å; E62-R86 PolarHBondContact OE2-NH1 3.28Å
63E91.1Very high91.1Very high160 Ų16092.9 Ų92.975%0.74847%0.468SS*.EExtended strand (participates in β ladder)trans-60.5160176-64.4-179.8179.100111.5N65E63-N65 PolarHBondContact O-N 3.36Å; E63-N65 VanDerWaalsContact O-N 3.09Å; E63-N65 PolarHBondContact O-ND2 3.27Å
64C91.4Very high90.8Very high35 Ų3593.5 Ų93.524%0.23648%0.478CS..EExtended strand (participates in β ladder)trans-60.5111.7-177.3-176.70000111.7C100C64-C100 WeakPolarHBondContact CA-SG 3.39Å; C64-C100 HydrophobicContact CB-CB 3.69Å; C64-C100 WeakPolarHBondContact CB-SG 3.43Å; C64-C100 WeakPolarHBondContact SG-CB 3.31Å; C64-C100 CovalentContact SG-SG 2.01Å; C64-C100 PolarHBondContact SG-SG 2.95Å
65N90.5Very high90.5Very high101 Ų10189.9 Ų89.954%0.5446%0.458SS..EExtended strand (participates in β ladder)trans-126.9158-176.9-79-64.5000111.8E63 C67 Y83 V84E63-N65 PolarHBondContact O-N 3.36Å; E63-N65 VanDerWaalsContact O-N 3.09Å; E63-N65 PolarHBondContact O-ND2 3.27Å; N65-C67 PolarHBondContact O-N 3.35Å; N65-Y83 CarbonylContact O-C 3.59Å; N65-Y83 VanDerWaalsContact O-CA 3.28Å; N65-Y83 WeakPolarHBondContact O-CA 3.42Å; N65-V84 PolarHBondContact N-O 3.28Å; N65-V84 PolarHBondContact O-N 2.84Å
66R90.1Very high90.3Very high183 Ų18389 Ų8969%0.69146%0.459SS*.EExtended strand (participates in β ladder)trans-64.2134.5177.2-174.4-179.9172.4-151.8-6.2109.8S68 Y83R66-S68 PolarHBondContact O-N 3.05Å; R66-Y83 HydrophobicContact CB-CD1 4.16Å; R66-Y83 HydrophobicContact CB-CE1 3.79Å; R66-Y83 HydrophobicContact CG-CE1 4.44Å
67C90.8Very high90Very high10 Ų1089.5 Ų89.57%0.06846%0.464CS..PPolyproline II helixtrans-61.2135.4174.6-66.20000111.2N65 A72 C78 G82 V84N65-C67 PolarHBondContact O-N 3.35Å; C67-A72 HydrophobicContact CB-CB 4.34Å; C67-C78 HydrophobicContact CB-CB 3.83Å; C67-C78 WeakPolarHBondContact CB-SG 3.23Å; C67-C78 WeakPolarHBondContact SG-CB 3.41Å; C67-C78 CovalentContact SG-SG 2.04Å; C67-C78 PolarHBondContact SG-SG 3.39Å; C67-G82 PolarHBondContact N-O 3.41Å; C67-G82 PolarHBondContact SG-O 2.85Å; C67-V84 VanDerWaalsContact SG-CG1 3.52Å
68S90.1Very high89.8Confident56 Ų5683.4 Ų83.439%0.39243%0.432SS..PPolyproline II helixtrans-65.7157.6167.580.70000110.5R66 F70 N71 A72R66-S68 PolarHBondContact O-N 3.05Å; S68-F70 PolarHBondContact O-N 3.04Å; S68-F70 VanDerWaalsContact O-N 3.14Å; S68-N71 PolarHBondContact O-N 3Å; S68-N71 PolarHBondContact OG-N 2.89Å; S68-N71 PolarHBondContact OG-ND2 3.13Å; S68-A72 WeakPolarHBondContact O-CB 3.42Å; S68-A72 PolarHBondContact O-N 2.83Å
69D88.7Confident89.3Confident125 Ų12587 Ų8767%0.66844%0.443SS*.Hα-helixtrans-59.1-29.8-179.7-64.1-39.7000112.9K73D69-K73 WeakPolarHBondContact O-CG 3.35Å
70F89.1Confident88.6Confident147 Ų14790.7 Ų90.765%0.64546%0.455SS*.Hα-helixtrans-70.3-51.9173.7-178.7-101.1000111.1S68 A72 K73 T74S68-F70 PolarHBondContact O-N 3.04Å; S68-F70 VanDerWaalsContact O-N 3.14Å; F70-A72 VanDerWaalsContact C-N 3.28Å; F70-A72 PolarHBondContact O-N 3.17Å; F70-K73 PolarHBondContact O-N 2.96Å; F70-T74 HydrophobicContact CD1-CG2 4.25Å; F70-T74 HydrophobicContact CD2-CG2 4.23Å; F70-T74 HydrophobicContact CE1-CG2 3.86Å; F70-T74 HydrophobicContact CE2-CG2 3.83Å; F70-T74 HydrophobicContact CG-CG2 4.43Å; F70-T74 HydrophobicContact CZ-CG2 3.64Å; F70-T74 WeakPolarHBondContact O-CG2 3.5Å; F70-T74 PolarHBondContact O-N 3.03Å; F70-T74 PolarHBondContact O-OG1 3.42Å; F70-T74 VanDerWaalsContact O-OG1 3.04Å
71N86.1Confident88.1Confident46 Ų4689.8 Ų89.825%0.24645%0.449CS..Hα-helixtrans-64.5-33.3-178.7-69.8-19.1000112.2S68 K73 T74 Q75S68-N71 PolarHBondContact O-N 3Å; S68-N71 PolarHBondContact OG-N 2.89Å; S68-N71 PolarHBondContact OG-ND2 3.13Å; N71-K73 PolarHBondContact O-N 3.24Å; N71-T74 WeakPolarHBondContact CA-OG1 3.5Å; N71-T74 PolarHBondContact O-N 3.36Å; N71-Q75 WeakPolarHBondContact O-CA 3.5Å; N71-Q75 WeakPolarHBondContact O-CB 3.3Å; N71-Q75 PolarHBondContact O-N 2.92Å
72A87.3Confident87.8Confident44 Ų4487.5 Ų87.536%0.36444%0.444SS..Hα-helixtrans-61.4-28.6174.700000113.2C67 S68 F70C67-A72 HydrophobicContact CB-CB 4.34Å; S68-A72 WeakPolarHBondContact O-CB 3.42Å; S68-A72 PolarHBondContact O-N 2.83Å; F70-A72 VanDerWaalsContact C-N 3.28Å; F70-A72 PolarHBondContact O-N 3.17Å
73K87.2Confident87.7Confident184 Ų18485 Ų8580%0.843%0.431SS*.Hα-helixtrans-90.8-35.4177.8-67.4178.2-175.9178.10112.6D69 F70 N71D69-K73 WeakPolarHBondContact O-CG 3.35Å; F70-K73 PolarHBondContact O-N 2.96Å; N71-K73 PolarHBondContact O-N 3.24Å
74T85.9Confident87.7Confident77 Ų7778.2 Ų78.247%0.47240%0.4SS..Hα-helixtrans-90.6-34.3-173560000113.3F70 N71F70-T74 HydrophobicContact CD1-CG2 4.25Å; F70-T74 HydrophobicContact CD2-CG2 4.23Å; F70-T74 HydrophobicContact CE1-CG2 3.86Å; F70-T74 HydrophobicContact CE2-CG2 3.83Å; F70-T74 HydrophobicContact CG-CG2 4.43Å; F70-T74 HydrophobicContact CZ-CG2 3.64Å; F70-T74 WeakPolarHBondContact O-CG2 3.5Å; F70-T74 PolarHBondContact O-N 3.03Å; F70-T74 PolarHBondContact O-OG1 3.42Å; F70-T74 VanDerWaalsContact O-OG1 3.04Å; N71-T74 WeakPolarHBondContact CA-OG1 3.5Å; N71-T74 PolarHBondContact O-N 3.36Å
75Q84.7Confident87.8Confident37 Ų3777.9 Ų77.917%0.17340%0.395CS..  trans-100.5121.1-178.6-62-178.27.300110.9N71 V77 C78N71-Q75 WeakPolarHBondContact O-CA 3.5Å; N71-Q75 WeakPolarHBondContact O-CB 3.3Å; N71-Q75 PolarHBondContact O-N 2.92Å; Q75-V77 PolarHBondContact O-N 3.34Å; Q75-C78 PolarHBondContact O-N 2.76Å
76T86.1Confident87.9Confident114 Ų11475.9 Ų75.970%0.69938%0.38SS*.THydrogen-bonded Turntrans-63.8-27.8175.952.70000112.4C78 R79T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.08Å; T76-R79 WeakPolarHBondContact O-CB 3.34Å; T76-R79 PolarHBondContact O-N 3.06Å
77V87.7Confident88.1Confident40 Ų4067.1 Ų67.124%0.24235%0.347CS..THydrogen-bonded Turntrans-59.9-35.7178.6-171.90000111.8Q75 R79 V84 K98Q75-V77 PolarHBondContact O-N 3.34Å; V77-R79 VanDerWaalsContact C-N 3.29Å; V77-R79 PolarHBondContact O-N 3.36Å; V77-V84 HydrophobicContact CB-CG1 4.44Å; V77-V84 HydrophobicContact CG1-CG1 4.06Å; V77-K98 VanDerWaalsContact CG1-C 3.41Å
78C89.1Confident88.4Confident6 Ų668.5 Ų68.54%0.04135%0.354CS..Hα-helixtrans-69.8-18.9176.9-77.10000114C67 Q75 T76 Q80 G82 V84C67-C78 HydrophobicContact CB-CB 3.83Å; C67-C78 WeakPolarHBondContact CB-SG 3.23Å; C67-C78 WeakPolarHBondContact SG-CB 3.41Å; C67-C78 CovalentContact SG-SG 2.04Å; C67-C78 PolarHBondContact SG-SG 3.39Å; Q75-C78 PolarHBondContact O-N 2.76Å; T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.08Å; C78-Q80 VanDerWaalsContact C-N 3.28Å; C78-Q80 PolarHBondContact O-N 2.97Å; C78-G82 VanDerWaalsContact O-CA 3.23Å; C78-G82 WeakPolarHBondContact O-CA 3.47Å; C78-G82 PolarHBondContact O-N 3.2Å; C78-V84 HydrophobicContact CB-CG1 4.48Å; C78-V84 WeakPolarHBondContact SG-CG1 3.33Å
79R83.4Confident88.5Confident149 Ų14965.8 Ų65.856%0.56234%0.335SS*.Hα-helixtrans-70.2-23.3-174.9-70.9-17486.8-163.1-0.8113.6T76 V77T76-R79 WeakPolarHBondContact O-CB 3.34Å; T76-R79 PolarHBondContact O-N 3.06Å; V77-R79 VanDerWaalsContact C-N 3.29Å; V77-R79 PolarHBondContact O-N 3.36Å
80Q79.8Confident88.8Confident163 Ų16363.6 Ų63.676%0.76233%0.326SS*.Hα-helixtrans-77.4-55.7-175-74.8179.7-15.500112.6C78C78-Q80 VanDerWaalsContact C-N 3.28Å; C78-Q80 PolarHBondContact O-N 2.97Å
81T84.7Confident88.9Confident49 Ų4965.5 Ų65.530%0.30133%0.334SS..Hα-helixtrans-113.4-19.8-176.162.20000113.2Y83 S99 C100T81-Y83 VanDerWaalsContact C-N 3.25Å; T81-Y83 WeakPolarHBondContact O-CD2 3.44Å; T81-Y83 PolarHBondContact OG1-N 3.03Å; T81-Y83 PolarHBondContact OG1-O 3.27Å; T81-Y83 VanDerWaalsContact OG1-O 3.11Å; T81-S99 WeakPolarHBondContact CG2-OG 3.44Å; T81-S99 PolarHBondContact OG1-OG 2.8Å; T81-S99 VanDerWaalsContact OG1-OG 3.09Å; T81-C100 PolarHBondContact OG1-O 3.35Å; T81-C100 VanDerWaalsContact OG1-O 3.09Å
82G87.8Confident89.1Confident26 Ų2667.2 Ų67.227%0.26835%0.346SS..SBendtrans78.36.2-169.500000114.2C67 C78C67-G82 PolarHBondContact N-O 3.41Å; C67-G82 PolarHBondContact SG-O 2.85Å; C78-G82 VanDerWaalsContact O-CA 3.23Å; C78-G82 WeakPolarHBondContact O-CA 3.47Å; C78-G82 PolarHBondContact O-N 3.2Å
83Y89.6Confident89.3Confident33 Ų3369.2 Ų69.213%0.12936%0.357CS..EExtended strand (participates in β ladder)trans-128.1142.8178.7-69.3-102.7000110.6N65 R66 T81 C100 S102 M105N65-Y83 CarbonylContact O-C 3.59Å; N65-Y83 VanDerWaalsContact O-CA 3.28Å; N65-Y83 WeakPolarHBondContact O-CA 3.42Å; R66-Y83 HydrophobicContact CB-CD1 4.16Å; R66-Y83 HydrophobicContact CB-CE1 3.79Å; R66-Y83 HydrophobicContact CG-CE1 4.44Å; T81-Y83 VanDerWaalsContact C-N 3.25Å; T81-Y83 WeakPolarHBondContact O-CD2 3.44Å; T81-Y83 PolarHBondContact OG1-N 3.03Å; T81-Y83 PolarHBondContact OG1-O 3.27Å; T81-Y83 VanDerWaalsContact OG1-O 3.11Å; Y83-C100 VanDerWaalsContact C-SG 3.59Å; Y83-C100 PolarHBondContact O-N 3.38Å; Y83-S102 WeakPolarHBondContact CD1-OG 3.23Å; Y83-M105 HydrophobicContact CD2-CB 4.07Å; Y83-M105 HydrophobicContact CD2-CG 4.05Å; Y83-M105 HydrophobicContact CD2-SD 4.28Å; Y83-M105 HydrophobicContact CE1-CB 4.44Å; Y83-M105 HydrophobicContact CE2-CB 3.59Å; Y83-M105 HydrophobicContact CE2-CE 4.32Å; Y83-M105 HydrophobicContact CE2-CG 3.59Å; Y83-M105 HydrophobicContact CE2-SD 3.39Å; Y83-M105 WeakPolarHBondContact CE2-SD 3.16Å
84V92.6Very high89.4Confident17 Ų1767.2 Ų67.210%0.10335%0.345CS..EExtended strand (participates in β ladder)trans-135.9147.3180-71.50000111.8N65 C67 V77 C78 K98 C100N65-V84 PolarHBondContact N-O 3.28Å; N65-V84 PolarHBondContact O-N 2.84Å; C67-V84 VanDerWaalsContact SG-CG1 3.52Å; V77-V84 HydrophobicContact CB-CG1 4.44Å; V77-V84 HydrophobicContact CG1-CG1 4.06Å; C78-V84 HydrophobicContact CB-CG1 4.48Å; C78-V84 WeakPolarHBondContact SG-CG1 3.33Å; V84-K98 VanDerWaalsContact CA-O 3.3Å; V84-K98 WeakPolarHBondContact CA-O 3.32Å; V84-C100 VanDerWaalsContact CA-SG 3.58Å; V84-C100 PolarHBondContact N-SG 3Å
85E92.5Very high89.8Confident28 Ų2869 Ų6913%0.13135%0.348CS..EExtended strand (participates in β ladder)trans-116.6144168.965-172-178.500109V87 K98 C100E85-V87 HydrophobicContact CG-CG1 4.16Å; E85-K98 HydrophobicContact CG-CB 4.01Å; E85-K98 HydrophobicContact CG-CG 4.39Å; E85-K98 PolarHBondContact N-O 3.1Å; E85-K98 PolarHBondContact O-N 2.96Å; E85-K98 WeakPolarHBondContact OE1-CD 3.19Å; E85-K98 IonicContact OE1-NZ 3.56Å; E85-K98 PolarHBondContact OE1-NZ 3.41Å; E85-C100 HydrophobicContact CB-CB 4.1Å; E85-C100 HydrophobicContact CG-CB 3.9Å
86R93.4Very high90.1Very high59 Ų5969.4 Ų69.422%0.22335%0.35CS..EExtended strand (participates in β ladder)trans-97.2125174.8-167.8171.473.2-145.1-4108.9L61 E62 Y97L61-R86 HydrophobicContact CB-CB 4.49Å; L61-R86 HydrophobicContact CD1-CG 4.42Å; L61-R86 PolarHBondContact N-O 2.9Å; E62-R86 HydrophobicContact CB-CB 3.87Å; E62-R86 VanDerWaalsContact CD-NH2 3.31Å; E62-R86 HydrophobicContact CG-CB 4.3Å; E62-R86 PolarHBondContact N-O 2.99Å; E62-R86 PolarHBondContact O-N 3.42Å; E62-R86 IonicContact OE1-CZ 3.03Å; E62-R86 IonicContact OE1-NH1 2.72Å; E62-R86 PolarHBondContact OE1-NH1 3.35Å; E62-R86 IonicContact OE1-NH2 2.68Å; E62-R86 PolarHBondContact OE1-NH2 3.33Å; E62-R86 IonicContact OE2-CZ 2.72Å; E62-R86 IonicContact OE2-NE 3Å; E62-R86 IonicContact OE2-NH1 2.62Å; E62-R86 PolarHBondContact OE2-NH1 3.28Å; R86-Y97 HydrophobicContact CB-CD1 4.29Å; R86-Y97 HydrophobicContact CB-CE1 4.08Å; R86-Y97 HydrophobicContact CG-CD1 4.36Å; R86-Y97 HydrophobicContact CG-CE1 3.99Å
87V94.6Very high90.3Very high0 Ų068 Ų680%033%0.332CS..EExtended strand (participates in β ladder)trans-119.7145.8-178.7-60.60000110.9W53 F58 V59 V60 E85 Q95 E96W53-V87 HydrophobicContact CB-CG2 4.05Å; W53-V87 HydrophobicContact CG-CG2 4.25Å; F58-V87 HydrophobicContact CB-CB 4.22Å; F58-V87 HydrophobicContact CD2-CB 3.75Å; F58-V87 HydrophobicContact CD2-CG1 3.56Å; F58-V87 HydrophobicContact CD2-CG2 4.47Å; F58-V87 HydrophobicContact CE2-CG1 3.87Å; F58-V87 HydrophobicContact CG-CB 4.23Å; F58-V87 HydrophobicContact CG-CG1 4.43Å; V59-V87 CarbonylContact O-C 3.51Å; V59-V87 WeakPolarHBondContact O-CA 3.29Å; V60-V87 HydrophobicContact CG2-CG1 4.32Å; E85-V87 HydrophobicContact CG-CG1 4.16Å; V87-Q95 WeakPolarHBondContact O-CA 3.34Å; V87-E96 HydrophobicContact CG2-CB 4.41Å; V87-E96 WeakPolarHBondContact CG2-O 3.45Å; V87-E96 PolarHBondContact N-O 3.22Å; V87-E96 PolarHBondContact O-N 2.76Å
88N95.4Very high90.4Very high38 Ų3868.4 Ų68.420%0.20333%0.331CS..EExtended strand (participates in β ladder)trans-109.4121.3170.6-17022.7000109.9F58 V59 L61 S93 R94F58-N88 CarbonylContact C-O 3.57Å; F58-N88 VanDerWaalsContact CA-O 3.23Å; F58-N88 WeakPolarHBondContact CA-O 3.47Å; V59-N88 PolarHBondContact N-O 2.99Å; V59-N88 PolarHBondContact O-N 3.27Å; L61-N88 HydrophobicContact CD1-CB 3.79Å; L61-N88 HydrophobicContact CD2-CB 4.13Å; L61-N88 HydrophobicContact CG-CB 3.8Å; N88-S93 PolarHBondContact OD1-O 2.93Å; N88-R94 PolarHBondContact OD1-N 3Å; N88-R94 PolarHBondContact OD1-O 3.45Å
89C93.9Very high90.5Very high0 Ų069.3 Ų69.30%034%0.337CS..EExtended strand (participates in β ladder)trans-77.1125.6178.8-740000110.6C52 W53 E56 S93 R94C52-C89 HydrophobicContact CB-CB 3.79Å; C52-C89 WeakPolarHBondContact CB-SG 3.4Å; C52-C89 WeakPolarHBondContact SG-CB 3.46Å; C52-C89 CovalentContact SG-SG 2.03Å; C52-C89 PolarHBondContact SG-SG 3.29Å; W53-C89 PolarHBondContact N-SG 3.47Å; E56-C89 VanDerWaalsContact CD-CB 3.42Å; E56-C89 HydrophobicContact CG-CB 4.02Å; E56-C89 WeakPolarHBondContact OE1-CB 3.45Å; C89-S93 WeakPolarHBondContact O-CA 3.46Å; C89-S93 PolarHBondContact O-N 3Å; C89-R94 WeakPolarHBondContact CB-O 3.46Å; C89-R94 PolarHBondContact N-O 2.91Å
90T93.8Very high90.8Very high79 Ų7962.6 Ų62.649%0.48531%0.313SS..THydrogen-bonded Turntrans-72.7-33.5-165.252.90000114.6E56 N57 V59E56-T90 PolarHBondContact OE2-N 2.88Å; N57-T90 WeakPolarHBondContact O-CB 3.37Å; N57-T90 WeakPolarHBondContact O-CG2 3.38Å; N57-T90 PolarHBondContact O-N 3.48Å; N57-T90 PolarHBondContact O-OG1 3.29Å; V59-T90 HydrophobicContact CG2-CG2 3.85Å
91K91.2Very high91Very high187 Ų18764.5 Ų64.581%0.81331%0.313SS*.THydrogen-bonded Turntrans-83.9-38.8-177.7-168.4-176.2177.61780111.4E56E56-K91 HydrophobicContact CB-CB 4.38Å; E56-K91 VanDerWaalsContact OE2-CA 3.22Å; E56-K91 WeakPolarHBondContact OE2-CA 3.41Å; E56-K91 WeakPolarHBondContact OE2-CB 3.17Å; E56-K91 PolarHBondContact OE2-N 3.3Å
92T90.2Very high90.9Very high81 Ų8162.7 Ų62.750%0.49730%0.303SS..THydrogen-bonded Turntrans-95.2-10.2179.958.60000113.9E56 R94E56-T92 WeakPolarHBondContact OE1-CB 3.31Å; E56-T92 WeakPolarHBondContact OE1-CG2 3.31Å; E56-T92 PolarHBondContact OE1-OG1 3.41Å; E56-T92 PolarHBondContact OE2-N 3.46Å; E56-T92 VanDerWaalsContact OE2-N 3.08Å; T92-R94 PolarHBondContact O-N 3Å; T92-R94 VanDerWaalsContact O-N 3.12Å; T92-R94 WeakPolarHBondContact OG1-CB 3.43Å
93S90.8Very high90.5Very high86 Ų8664.5 Ų64.560%0.60132%0.315SS*.  trans50.229.6-170.3-169.30000113.2N88 C89N88-S93 PolarHBondContact OD1-O 2.93Å; C89-S93 WeakPolarHBondContact O-CA 3.46Å; C89-S93 PolarHBondContact O-N 3Å
94R91Very high89.8Confident143 Ų14368.2 Ų68.254%0.5434%0.337SS..  trans-93.9132.1-177.4-174.4172.6170.3173.7-5.3110.2N88 C89 T92 E96N88-R94 PolarHBondContact OD1-N 3Å; N88-R94 PolarHBondContact OD1-O 3.45Å; C89-R94 WeakPolarHBondContact CB-O 3.46Å; C89-R94 PolarHBondContact N-O 2.91Å; T92-R94 PolarHBondContact O-N 3Å; T92-R94 VanDerWaalsContact O-N 3.12Å; T92-R94 WeakPolarHBondContact OG1-CB 3.43Å; R94-E96 HydrophobicContact CG-CG 4.4Å; R94-E96 IonicContact CZ-OE1 3.3Å; R94-E96 IonicContact NE-OE1 2.85Å; R94-E96 PolarHBondContact NE-OE1 3.32Å; R94-E96 IonicContact NH2-OE1 2.78Å; R94-E96 PolarHBondContact NH2-OE1 3.41Å
95Q93.1Very high89Confident113 Ų11370 Ų7053%0.52835%0.345SS..EExtended strand (participates in β ladder)trans-88.4130.2175.1-60.3-178.314.100110.2L61 V87L61-Q95 HydrophobicContact CD1-CG 3.86Å; V87-Q95 WeakPolarHBondContact O-CA 3.34Å
96E91.4Very high88.5Confident46 Ų4672.7 Ų72.722%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-136.1156.4177.9-73.1-64.616600110.3C52 V87 R94C52-E96 WeakPolarHBondContact SG-CG 3.42Å; V87-E96 HydrophobicContact CG2-CB 4.41Å; V87-E96 WeakPolarHBondContact CG2-O 3.45Å; V87-E96 PolarHBondContact N-O 3.22Å; V87-E96 PolarHBondContact O-N 2.76Å; R94-E96 HydrophobicContact CG-CG 4.4Å; R94-E96 IonicContact CZ-OE1 3.3Å; R94-E96 IonicContact NE-OE1 2.85Å; R94-E96 PolarHBondContact NE-OE1 3.32Å; R94-E96 IonicContact NH2-OE1 2.78Å; R94-E96 PolarHBondContact NH2-OE1 3.41Å
97Y90.9Very high88.1Confident84 Ų8475.1 Ų75.133%0.32937%0.371SS..EExtended strand (participates in β ladder)trans-99.7135.8175.1-67.3-84.4000110.1R86R86-Y97 HydrophobicContact CB-CD1 4.29Å; R86-Y97 HydrophobicContact CB-CE1 4.08Å; R86-Y97 HydrophobicContact CG-CD1 4.36Å; R86-Y97 HydrophobicContact CG-CE1 3.99Å
98K90.3Very high87.6Confident50 Ų5080.6 Ų80.622%0.21740%0.396CS..EExtended strand (participates in β ladder)trans-125.7143.4178.1173.4171.9165.1-116.20110.4W53 V77 V84 E85W53-K98 HydrophobicContact CD2-CD 3.8Å; W53-K98 HydrophobicContact CD2-CG 4.43Å; W53-K98 HydrophobicContact CE3-CD 3.77Å; W53-K98 HydrophobicContact CG-CD 4.35Å; W53-K98 HydrophobicContact CH2-CD 4.2Å; W53-K98 HydrophobicContact CH2-CG 4.39Å; W53-K98 HydrophobicContact CZ2-CB 4.49Å; W53-K98 HydrophobicContact CZ2-CD 4.21Å; W53-K98 HydrophobicContact CZ2-CG 4.12Å; W53-K98 HydrophobicContact CZ3-CD 3.95Å; V77-K98 VanDerWaalsContact CG1-C 3.41Å; V84-K98 VanDerWaalsContact CA-O 3.3Å; V84-K98 WeakPolarHBondContact CA-O 3.32Å; E85-K98 HydrophobicContact CG-CB 4.01Å; E85-K98 HydrophobicContact CG-CG 4.39Å; E85-K98 PolarHBondContact N-O 3.1Å; E85-K98 PolarHBondContact O-N 2.96Å; E85-K98 WeakPolarHBondContact OE1-CD 3.19Å; E85-K98 IonicContact OE1-NZ 3.56Å; E85-K98 PolarHBondContact OE1-NZ 3.41Å
99S90.3Very high87.1Confident25 Ų2583.1 Ų83.118%0.17541%0.409CS..EExtended strand (participates in β ladder)trans-73.3127.6173.5177.10000107.9T81T81-S99 WeakPolarHBondContact CG2-OG 3.44Å; T81-S99 PolarHBondContact OG1-OG 2.8Å; T81-S99 VanDerWaalsContact OG1-OG 3.09Å
100C89.6Confident86.8Confident7 Ų789 Ų895%0.04744%0.435CS..  trans-119.1157-177.358.80000110.8C64 T81 Y83 V84 E85C64-C100 WeakPolarHBondContact CA-SG 3.39Å; C64-C100 HydrophobicContact CB-CB 3.69Å; C64-C100 WeakPolarHBondContact CB-SG 3.43Å; C64-C100 WeakPolarHBondContact SG-CB 3.31Å; C64-C100 CovalentContact SG-SG 2.01Å; C64-C100 PolarHBondContact SG-SG 2.95Å; T81-C100 PolarHBondContact OG1-O 3.35Å; T81-C100 VanDerWaalsContact OG1-O 3.09Å; Y83-C100 VanDerWaalsContact C-SG 3.59Å; Y83-C100 PolarHBondContact O-N 3.38Å; V84-C100 VanDerWaalsContact CA-SG 3.58Å; V84-C100 PolarHBondContact N-SG 3Å; E85-C100 HydrophobicContact CB-CB 4.1Å; E85-C100 HydrophobicContact CG-CB 3.9Å
101R84.7Confident86.7Confident203 Ų20394.1 Ų94.177%0.76645%0.445SS*.  trans-110.4104.5175.7-174.9172.6176.4105.48.8107.4E106R101-E106 IonicContact CZ-OE1 3.15Å; R101-E106 IonicContact NE-OE1 3.82Å; R101-E106 PolarHBondContact NE-OE1 3.28Å; R101-E106 IonicContact NH2-OE1 3.79Å; R101-E106 PolarHBondContact NH2-OE1 2.89Å
102S81.3Confident86.6Confident12 Ų1292.4 Ų92.48%0.08444%0.438CS..  trans-91.3142.4179.557.60000111.5Y83 L104 M105 E106Y83-S102 WeakPolarHBondContact CD1-OG 3.23Å; S102-L104 PolarHBondContact O-N 3.25Å; S102-M105 WeakPolarHBondContact O-CB 3.33Å; S102-M105 PolarHBondContact O-N 3.23Å; S102-M105 VanDerWaalsContact OG-CB 3.22Å; S102-M105 WeakPolarHBondContact OG-CB 3.38Å; S102-M105 PolarHBondContact OG-N 3.21Å; S102-E106 PolarHBondContact O-N 3.46Å
103A80.5Confident86.6Confident64 Ų6494.5 Ų94.553%0.52944%0.441SS..Hα-helixtrans-59-37.7172.200000111.8M105 E106 E107A103-M105 VanDerWaalsContact C-N 3.3Å; A103-M105 PolarHBondContact O-N 3.46Å; A103-E106 WeakPolarHBondContact O-CB 3.37Å; A103-E106 PolarHBondContact O-N 3.25Å; A103-E106 VanDerWaalsContact O-N 3.07Å; A103-E107 WeakPolarHBondContact O-CG 3.34Å; A103-E107 PolarHBondContact O-N 3.17Å
104L74.6Confident86.8Confident111 Ų11194 Ų9458%0.58143%0.429SS*.Hα-helixtrans-60.3-37.1176.8-61.5178.8000112.9S102 H108S102-L104 PolarHBondContact O-N 3.25Å; L104-H108 PolarHBondContact O-CD2 2.9Å; L104-H108 PolarHBondContact O-N 3.34Å
105M76.4Confident87Confident55 Ų5589.7 Ų89.727%0.27142%0.423SS..Hα-helixtrans-65.3-43.1174.5175.156.4171.300111Y83 S102 A103 H108 L109Y83-M105 HydrophobicContact CD2-CB 4.07Å; Y83-M105 HydrophobicContact CD2-CG 4.05Å; Y83-M105 HydrophobicContact CD2-SD 4.28Å; Y83-M105 HydrophobicContact CE1-CB 4.44Å; Y83-M105 HydrophobicContact CE2-CB 3.59Å; Y83-M105 HydrophobicContact CE2-CE 4.32Å; Y83-M105 HydrophobicContact CE2-CG 3.59Å; Y83-M105 HydrophobicContact CE2-SD 3.39Å; Y83-M105 WeakPolarHBondContact CE2-SD 3.16Å; S102-M105 WeakPolarHBondContact O-CB 3.33Å; S102-M105 PolarHBondContact O-N 3.23Å; S102-M105 VanDerWaalsContact OG-CB 3.22Å; S102-M105 WeakPolarHBondContact OG-CB 3.38Å; S102-M105 PolarHBondContact OG-N 3.21Å; A103-M105 VanDerWaalsContact C-N 3.3Å; A103-M105 PolarHBondContact O-N 3.46Å; M105-H108 PolarHBondContact O-N 3.48Å; M105-L109 HydrophobicContact CE-CD1 3.36Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CE-CG 4.42Å; M105-L109 HydrophobicContact CG-CD1 4.39Å; M105-L109 WeakPolarHBondContact O-CD1 3.33Å; M105-L109 PolarHBondContact O-N 3.3Å; M105-L109 VanDerWaalsContact O-N 3.07Å; M105-L109 HydrophobicContact SD-CD1 3.47Å; M105-L109 WeakPolarHBondContact SD-CD1 3.33Å
106E80.7Confident87Confident83 Ų8387 Ų8739%0.38842%0.421SS..Hα-helixtrans-63.4-43178.9-62.8-178.3151.800111.8R101 S102 A103 H108 L109 F110R101-E106 IonicContact CZ-OE1 3.15Å; R101-E106 IonicContact NE-OE1 3.82Å; R101-E106 PolarHBondContact NE-OE1 3.28Å; R101-E106 IonicContact NH2-OE1 3.79Å; R101-E106 PolarHBondContact NH2-OE1 2.89Å; S102-E106 PolarHBondContact O-N 3.46Å; A103-E106 WeakPolarHBondContact O-CB 3.37Å; A103-E106 PolarHBondContact O-N 3.25Å; A103-E106 VanDerWaalsContact O-N 3.07Å; E106-H108 PolarHBondContact O-N 2.96Å; E106-L109 PolarHBondContact O-N 3.47Å; E106-F110 VanDerWaalsContact O-CB 3.29Å; E106-F110 WeakPolarHBondContact O-CB 3.44Å; E106-F110 PolarHBondContact O-N 3Å
107E84.8Confident87.2Confident111 Ų11188.7 Ų88.752%0.51943%0.43SS..Hα-helixtrans-60.3-44.3176.8-72.3177.1-178.500112.2A103 L109 F110 W111A103-E107 WeakPolarHBondContact O-CG 3.34Å; A103-E107 PolarHBondContact O-N 3.17Å; E107-L109 PolarHBondContact O-N 3.25Å; E107-F110 WeakPolarHBondContact O-CB 3.49Å; E107-F110 PolarHBondContact O-N 2.92Å; E107-W111 PolarHBondContact O-N 2.96Å
108H83.9Confident87.4Confident115 Ų11589.5 Ų89.553%0.53244%0.439SS..Hα-helixtrans-65.1-38.7177-78.8-50.1000112.9L104 M105 E106 K112L104-H108 PolarHBondContact O-CD2 2.9Å; L104-H108 PolarHBondContact O-N 3.34Å; M105-H108 PolarHBondContact O-N 3.48Å; E106-H108 PolarHBondContact O-N 2.96Å; H108-K112 VanDerWaalsContact O-CG 3.29Å; H108-K112 WeakPolarHBondContact O-CG 3.47Å; H108-K112 PolarHBondContact O-N 3.41Å; H108-K112 VanDerWaalsContact O-N 3.17Å
109L85.4Confident87.7Confident91 Ų9189.8 Ų89.848%0.47645%0.451SS..Hα-helixtrans-66.8-42.7175.2-99.364.6000111M105 E106 E107 K112 F113M105-L109 HydrophobicContact CE-CD1 3.36Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CE-CG 4.42Å; M105-L109 HydrophobicContact CG-CD1 4.39Å; M105-L109 WeakPolarHBondContact O-CD1 3.33Å; M105-L109 PolarHBondContact O-N 3.3Å; M105-L109 VanDerWaalsContact O-N 3.07Å; M105-L109 HydrophobicContact SD-CD1 3.47Å; M105-L109 WeakPolarHBondContact SD-CD1 3.33Å; E106-L109 PolarHBondContact O-N 3.47Å; E107-L109 PolarHBondContact O-N 3.25Å; L109-K112 PolarHBondContact O-N 3.48Å; L109-F113 WeakPolarHBondContact O-CB 3.45Å; L109-F113 PolarHBondContact O-N 3.07Å
110F88.4Confident87.9Confident122 Ų12292.1 Ų92.154%0.53546%0.461SS..Hα-helixtrans-58-52.1177.1178.3-98.2000111.1E106 E107 K112 F113 E114E106-F110 VanDerWaalsContact O-CB 3.29Å; E106-F110 WeakPolarHBondContact O-CB 3.44Å; E106-F110 PolarHBondContact O-N 3Å; E107-F110 WeakPolarHBondContact O-CB 3.49Å; E107-F110 PolarHBondContact O-N 2.92Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 3.44Å; F110-F113 PolarHBondContact O-N 3.45Å; F110-F113 VanDerWaalsContact O-N 3.17Å; F110-E114 WeakPolarHBondContact O-CB 3.3Å; F110-E114 PolarHBondContact O-N 3.27Å
111W92.1Very high88.2Confident187 Ų18796 Ų9671%0.70849%0.485SS*.Hα-helixtrans-61.8-38.2179.6-93.195.8000113.5E107 A115E107-W111 PolarHBondContact O-N 2.96Å; W111-A115 WeakPolarHBondContact O-CB 3.3Å; W111-A115 PolarHBondContact O-N 3.25Å
112K88.9Confident88.8Confident151 Ų15190.8 Ų90.866%0.65748%0.475SS*.Hα-helixtrans-64.8-43.8175.3-75.5173.9-179.7174.70111.8H108 L109 F110 A116H108-K112 VanDerWaalsContact O-CG 3.29Å; H108-K112 WeakPolarHBondContact O-CG 3.47Å; H108-K112 PolarHBondContact O-N 3.41Å; H108-K112 VanDerWaalsContact O-N 3.17Å; L109-K112 PolarHBondContact O-N 3.48Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 3.44Å; K112-A116 WeakPolarHBondContact O-CB 3.23Å; K112-A116 PolarHBondContact O-N 3.49Å; K112-A116 VanDerWaalsContact O-N 3.08Å
113F90Very high89.5Confident126 Ų12694 Ų9455%0.55349%0.494SS*.Hα-helixtrans-65.5-50178.4174.1-98.9000111.4L109 F110 A115 A116 M117L109-F113 WeakPolarHBondContact O-CB 3.45Å; L109-F113 PolarHBondContact O-N 3.07Å; F110-F113 PolarHBondContact O-N 3.45Å; F110-F113 VanDerWaalsContact O-N 3.17Å; F113-A115 PolarHBondContact O-N 2.95Å; F113-A116 WeakPolarHBondContact O-CB 3.46Å; F113-A116 PolarHBondContact O-N 2.9Å; F113-A116 VanDerWaalsContact O-N 3.13Å; F113-M117 HydrophobicContact CD1-CG 4.29Å; F113-M117 HydrophobicContact CD2-CG 4.25Å; F113-M117 HydrophobicContact CE1-CG 3.81Å; F113-M117 HydrophobicContact CE2-CG 3.77Å; F113-M117 HydrophobicContact CE2-SD 4.12Å; F113-M117 HydrophobicContact CZ-CG 3.53Å; F113-M117 HydrophobicContact CZ-SD 4.12Å; F113-M117 WeakPolarHBondContact O-CG 3.27Å; F113-M117 PolarHBondContact O-N 2.97Å
114E94.4Very high90.1Very high76 Ų7696.6 Ų96.636%0.35549%0.493SS..Hα-helixtrans-57.7-48.7179.7-170.964.8-161.600110.8F110 A116 M117 L118F110-E114 WeakPolarHBondContact O-CB 3.3Å; F110-E114 PolarHBondContact O-N 3.27Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 2.82Å; E114-M117 PolarHBondContact O-N 3.2Å; E114-L118 HydrophobicContact CG-CD1 4.16Å; E114-L118 WeakPolarHBondContact O-CB 3.48Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.3Å; E114-L118 PolarHBondContact O-N 3Å
115A94.9Very high91.1Very high51 Ų5193.8 Ų93.842%0.42149%0.487SS..Hα-helixtrans-60.8-39.717700000112.5W111 F113 A119W111-A115 WeakPolarHBondContact O-CB 3.3Å; W111-A115 PolarHBondContact O-N 3.25Å; F113-A115 PolarHBondContact O-N 2.95Å; A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 2.82Å
116A93.9Very high92Very high58 Ų5894.9 Ų94.948%0.47950%0.496SS..Hα-helixtrans-65.4-43.1176.900000112K112 F113 E114 A119 L120K112-A116 WeakPolarHBondContact O-CB 3.23Å; K112-A116 PolarHBondContact O-N 3.49Å; K112-A116 VanDerWaalsContact O-N 3.08Å; F113-A116 WeakPolarHBondContact O-CB 3.46Å; F113-A116 PolarHBondContact O-N 2.9Å; F113-A116 VanDerWaalsContact O-N 3.13Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 2.82Å; A116-A119 PolarHBondContact O-N 3.33Å; A116-L120 VanDerWaalsContact O-CB 3.31Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 PolarHBondContact O-N 3.44Å
117M94.1Very high92.6Very high81 Ų8195.5 Ų95.540%0.39950%0.502SS..Hα-helixtrans-68.1-39.5178.4-70.7-58.2-63.200112.4F113 E114 L120 T121F113-M117 HydrophobicContact CD1-CG 4.29Å; F113-M117 HydrophobicContact CD2-CG 4.25Å; F113-M117 HydrophobicContact CE1-CG 3.81Å; F113-M117 HydrophobicContact CE2-CG 3.77Å; F113-M117 HydrophobicContact CE2-SD 4.12Å; F113-M117 HydrophobicContact CZ-CG 3.53Å; F113-M117 HydrophobicContact CZ-SD 4.12Å; F113-M117 WeakPolarHBondContact O-CG 3.27Å; F113-M117 PolarHBondContact O-N 2.97Å; E114-M117 PolarHBondContact O-N 3.2Å; M117-L120 PolarHBondContact O-N 3.02Å; M117-L120 HydrophobicContact SD-CD2 4.49Å; M117-T121 WeakPolarHBondContact O-CB 3.4Å; M117-T121 PolarHBondContact O-N 2.89Å; M117-T121 PolarHBondContact O-OG1 3.42Å
118L96.8Very high93.1Very high100 Ų10093.9 Ų93.952%0.52450%0.499SS..Hα-helixtrans-61.8-48.6173.2-74172.8000111.3E114 L120 T121 V122E114-L118 HydrophobicContact CG-CD1 4.16Å; E114-L118 WeakPolarHBondContact O-CB 3.48Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.3Å; E114-L118 PolarHBondContact O-N 3Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.03Å; L118-T121 WeakPolarHBondContact O-CB 3.46Å; L118-T121 PolarHBondContact O-N 3.2Å; L118-V122 WeakPolarHBondContact O-CG2 3.27Å; L118-V122 PolarHBondContact O-N 3.18Å
119A95.9Very high93.7Very high56 Ų5691.1 Ų91.146%0.46349%0.49SS..Hα-helixtrans-59.5-44177.100000111.8A115 A116 T121 V122 V123A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 2.82Å; A116-A119 PolarHBondContact O-N 3.33Å; A119-T121 VanDerWaalsContact C-N 3.3Å; A119-T121 PolarHBondContact O-N 3.06Å; A119-V122 PolarHBondContact O-N 2.88Å; A119-V123 WeakPolarHBondContact O-CG2 3.46Å; A119-V123 PolarHBondContact O-N 2.71Å
120L95.2Very high93.9Very high75 Ų7591.7 Ų91.739%0.39349%0.492SS..Hα-helixtrans-60.9-40.9177.6-17660.9000111.7A116 M117 L118 V123 F124A116-L120 VanDerWaalsContact O-CB 3.31Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 PolarHBondContact O-N 3.44Å; M117-L120 PolarHBondContact O-N 3.02Å; M117-L120 HydrophobicContact SD-CD2 4.49Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.03Å; L120-V123 PolarHBondContact O-N 3.07Å; L120-F124 HydrophobicContact CD1-CD2 3.88Å; L120-F124 HydrophobicContact CD1-CE2 3.35Å; L120-F124 HydrophobicContact CD1-CZ 4.08Å; L120-F124 HydrophobicContact CD2-CE2 4.06Å; L120-F124 HydrophobicContact CG-CD2 3.8Å; L120-F124 HydrophobicContact CG-CE2 3.5Å; L120-F124 WeakPolarHBondContact O-CD2 3.41Å; L120-F124 PolarHBondContact O-N 2.91Å
121T94.3Very high94.2Very high89 Ų8994 Ų9455%0.54650%0.498SS..Hα-helixtrans-63.1-44.9177.2-58.60000111.3M117 L118 A119 V123 F124 A125M117-T121 WeakPolarHBondContact O-CB 3.4Å; M117-T121 PolarHBondContact O-N 2.89Å; M117-T121 PolarHBondContact O-OG1 3.42Å; L118-T121 WeakPolarHBondContact O-CB 3.46Å; L118-T121 PolarHBondContact O-N 3.2Å; A119-T121 VanDerWaalsContact C-N 3.3Å; A119-T121 PolarHBondContact O-N 3.06Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.32Å; T121-F124 PolarHBondContact O-N 2.98Å; T121-A125 WeakPolarHBondContact O-CB 3.35Å; T121-A125 PolarHBondContact O-N 2.9Å
122V97.4Very high94.3Very high93 Ų9390.2 Ų90.256%0.56449%0.488SS*.Hα-helixtrans-60.1-44.5175.8172.60000110.9L118 A119 F124 A125 V126L118-V122 WeakPolarHBondContact O-CG2 3.27Å; L118-V122 PolarHBondContact O-N 3.18Å; A119-V122 PolarHBondContact O-N 2.88Å; V122-F124 PolarHBondContact O-N 3.26Å; V122-A125 PolarHBondContact O-N 2.83Å; V122-V126 HydrophobicContact CG1-CG2 4.44Å; V122-V126 WeakPolarHBondContact O-CG2 3.46Å; V122-V126 PolarHBondContact O-N 3.44Å
123V95.9Very high94.5Very high80 Ų8090.9 Ų90.949%0.48549%0.486SS..Hα-helixtrans-58.5-48.9177.1170.20000110.8A119 L120 T121 A125 V126 L127A119-V123 WeakPolarHBondContact O-CG2 3.46Å; A119-V123 PolarHBondContact O-N 2.71Å; L120-V123 PolarHBondContact O-N 3.07Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.32Å; V123-A125 PolarHBondContact O-N 3.24Å; V123-V126 PolarHBondContact O-N 3.37Å; V123-L127 HydrophobicContact CG1-CD1 4.05Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.84Å
124F94.4Very high94.5Very high117 Ų11789.8 Ų89.851%0.51348%0.479SS..Hα-helixtrans-64.1-40.4178.4-77.6-59.7000112.7L120 T121 V122 V126 L127 V128L120-F124 HydrophobicContact CD1-CD2 3.88Å; L120-F124 HydrophobicContact CD1-CE2 3.35Å; L120-F124 HydrophobicContact CD1-CZ 4.08Å; L120-F124 HydrophobicContact CD2-CE2 4.06Å; L120-F124 HydrophobicContact CG-CD2 3.8Å; L120-F124 HydrophobicContact CG-CE2 3.5Å; L120-F124 WeakPolarHBondContact O-CD2 3.41Å; L120-F124 PolarHBondContact O-N 2.91Å; T121-F124 PolarHBondContact O-N 2.98Å; V122-F124 PolarHBondContact O-N 3.26Å; F124-V126 PolarHBondContact O-N 3.42Å; F124-L127 HydrophobicContact CD1-CD1 4.36Å; F124-L127 PolarHBondContact O-N 3.19Å; F124-V128 WeakPolarHBondContact O-CG2 3.07Å; F124-V128 PolarHBondContact O-N 3.2Å
125A95.1Very high94.3Very high53 Ų5390.2 Ų90.244%0.43848%0.483SS..Hα-helixtrans-59.7-46.4176.200000111.5T121 V122 V123 L127 V128 V129T121-A125 WeakPolarHBondContact O-CB 3.35Å; T121-A125 PolarHBondContact O-N 2.9Å; V122-A125 PolarHBondContact O-N 2.83Å; V123-A125 PolarHBondContact O-N 3.24Å; A125-L127 PolarHBondContact O-N 2.86Å; A125-V128 PolarHBondContact O-N 3.43Å; A125-V129 WeakPolarHBondContact O-CG2 3.22Å; A125-V129 PolarHBondContact O-N 2.8Å
126V95.3Very high94.1Very high77 Ų7792.7 Ų92.747%0.46749%0.489SS..Hα-helixtrans-60.6-45.7176.71710000111.3V122 V123 F124 V128 V129 I130V122-V126 HydrophobicContact CG1-CG2 4.44Å; V122-V126 WeakPolarHBondContact O-CG2 3.46Å; V122-V126 PolarHBondContact O-N 3.44Å; V123-V126 PolarHBondContact O-N 3.37Å; F124-V126 PolarHBondContact O-N 3.42Å; V126-V128 VanDerWaalsContact C-N 3.33Å; V126-V128 PolarHBondContact O-N 3.5Å; V126-V129 PolarHBondContact O-N 3.34Å; V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.25Å; V126-I130 PolarHBondContact O-N 3.5Å
127L94Very high93.9Very high97 Ų9798.3 Ų98.351%0.50850%0.498SS..Hα-helixtrans-59.8-42.5177.9-72172.8000112.1V123 F124 A125 R131V123-L127 HydrophobicContact CG1-CD1 4.05Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.84Å; F124-L127 HydrophobicContact CD1-CD1 4.36Å; F124-L127 PolarHBondContact O-N 3.19Å; A125-L127 PolarHBondContact O-N 2.86Å; L127-R131 WeakPolarHBondContact O-CB 3.46Å; L127-R131 PolarHBondContact O-N 3.11Å
128V95.5Very high93.6Very high76 Ų7697.2 Ų97.246%0.46149%0.493SS..Hα-helixtrans-63.6-46177.3170.50000110.9F124 A125 V126 I130 R131 Q132F124-V128 WeakPolarHBondContact O-CG2 3.07Å; F124-V128 PolarHBondContact O-N 3.2Å; A125-V128 PolarHBondContact O-N 3.43Å; V126-V128 VanDerWaalsContact C-N 3.33Å; V126-V128 PolarHBondContact O-N 3.5Å; V128-I130 PolarHBondContact O-N 3.48Å; V128-R131 PolarHBondContact O-N 2.95Å; V128-Q132 HydrophobicContact CG1-CG 4.38Å; V128-Q132 WeakPolarHBondContact O-CG 3.19Å; V128-Q132 PolarHBondContact O-N 3.49Å
129V95.4Very high93.3Very high58 Ų5895 Ų9535%0.35249%0.489SS..Hα-helixtrans-62.8-43.5179.2170.80000111.7A125 V126 R131 Q132 R133A125-V129 WeakPolarHBondContact O-CG2 3.22Å; A125-V129 PolarHBondContact O-N 2.8Å; V126-V129 PolarHBondContact O-N 3.34Å; V129-R131 VanDerWaalsContact C-N 3.31Å; V129-R131 PolarHBondContact O-N 2.9Å; V129-Q132 PolarHBondContact O-N 2.99Å; V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.18Å; V129-R133 PolarHBondContact O-N 3.23Å
130I90.6Very high92.5Very high102 Ų10295.6 Ų95.652%0.52349%0.49SS..Hα-helixtrans-60.2-45.2176.9-69.8168.6000110.3V126 V128 R133 W134V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.25Å; V126-I130 PolarHBondContact O-N 3.5Å; V128-I130 PolarHBondContact O-N 3.48Å; I130-R133 PolarHBondContact O-N 3.45Å; I130-W134 WeakPolarHBondContact O-CB 3.28Å; I130-W134 PolarHBondContact O-N 3.13Å
131R94.6Very high92.1Very high172 Ų17296.6 Ų96.665%0.64949%0.493SS*.Hα-helixtrans-62.7-44.7178.3178.8-179.1169.6179.1-4.4111.9L127 V128 V129 W134 L135L127-R131 WeakPolarHBondContact O-CB 3.46Å; L127-R131 PolarHBondContact O-N 3.11Å; V128-R131 PolarHBondContact O-N 2.95Å; V129-R131 VanDerWaalsContact C-N 3.31Å; V129-R131 PolarHBondContact O-N 2.9Å; R131-W134 PolarHBondContact O-N 3.13Å; R131-L135 HydrophobicContact CG-CD1 4.37Å; R131-L135 WeakPolarHBondContact O-CG 3.17Å; R131-L135 PolarHBondContact O-N 3.45Å
132Q92.8Very high91.7Very high107 Ų10799.6 Ų99.650%0.550%0.498SS..Hα-helixtrans-59.9-50.6177-75.4174.3-12.600110.6V128 V129 W134 L135 D136V128-Q132 HydrophobicContact CG1-CG 4.38Å; V128-Q132 WeakPolarHBondContact O-CG 3.19Å; V128-Q132 PolarHBondContact O-N 3.49Å; V129-Q132 PolarHBondContact O-N 2.99Å; Q132-W134 PolarHBondContact O-N 2.93Å; Q132-L135 PolarHBondContact O-N 2.95Å; Q132-D136 VanDerWaalsContact O-CG 3.3Å; Q132-D136 PolarHBondContact O-N 2.89Å
133R93.3Very high91Very high164 Ų16499 Ų9962%0.61950%0.495SS*.Hα-helixtrans-57.2-36.9176.9-73.3179.1-179.8-178.71.3113.1V129 I130 R137V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.18Å; V129-R133 PolarHBondContact O-N 3.23Å; I130-R133 PolarHBondContact O-N 3.45Å; R133-R137 VanDerWaalsContact O-CG 3.3Å; R133-R137 WeakPolarHBondContact O-CG 3.45Å; R133-R137 PolarHBondContact O-N 3.35Å; R133-R137 VanDerWaalsContact O-N 3.07Å
134W89.9Confident90.3Very high104 Ų104103 Ų10339%0.39450%0.501SS..Hα-helixtrans-67.5-42.6176.8-173.381.3000111.8I7 V9 I130 R131 Q132 R137 L138I7-W134 HydrophobicContact CG2-CH2 4.29Å; V9-W134 HydrophobicContact CG2-CH2 3.93Å; V9-W134 HydrophobicContact CG2-CZ2 4.49Å; V9-W134 HydrophobicContact CG2-CZ3 4.48Å; I130-W134 WeakPolarHBondContact O-CB 3.28Å; I130-W134 PolarHBondContact O-N 3.13Å; R131-W134 PolarHBondContact O-N 3.13Å; Q132-W134 PolarHBondContact O-N 2.93Å; W134-R137 PolarHBondContact O-N 3.46Å; W134-L138 HydrophobicContact CD2-CD1 3.95Å; W134-L138 HydrophobicContact CE3-CD1 3.62Å; W134-L138 HydrophobicContact CH2-CD1 3.34Å; W134-L138 HydrophobicContact CZ2-CD1 3.65Å; W134-L138 HydrophobicContact CZ2-CG 4.47Å; W134-L138 HydrophobicContact CZ3-CD1 3.31Å; W134-L138 WeakPolarHBondContact O-CG 3.32Å; W134-L138 PolarHBondContact O-N 2.78Å; W134-L138 VanDerWaalsContact O-N 3.13Å
135L91.8Very high89.6Confident84 Ų84103.4 Ų103.444%0.4450%0.499SS..Hα-helixtrans-65.1-39.5175.2-69.9171.8000112.1R131 Q132 R137 L138 A139R131-L135 HydrophobicContact CG-CD1 4.37Å; R131-L135 WeakPolarHBondContact O-CG 3.17Å; R131-L135 PolarHBondContact O-N 3.45Å; Q132-L135 PolarHBondContact O-N 2.95Å; L135-R137 PolarHBondContact O-N 2.81Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-A139 PolarHBondContact O-N 2.84Å
136D89.4Confident88.7Confident104 Ų104107.1 Ų107.156%0.55651%0.507SS*.Hα-helixtrans-65.2-39177.7-65.6-24.8000112Q132 A139 S140Q132-D136 VanDerWaalsContact O-CG 3.3Å; Q132-D136 PolarHBondContact O-N 2.89Å; D136-A139 PolarHBondContact O-N 3.42Å; D136-S140 PolarHBondContact O-N 3.13Å; D136-S140 PolarHBondContact O-OG 2.81Å
137R89.6Confident88.1Confident175 Ų175108.9 Ų108.966%0.6651%0.513SS*.Hα-helixtrans-61.7-43.7172.6-75.2177.1-175.7-138.71.3111.6R133 W134 L135 A139 S140 E141R133-R137 VanDerWaalsContact O-CG 3.3Å; R133-R137 WeakPolarHBondContact O-CG 3.45Å; R133-R137 PolarHBondContact O-N 3.35Å; R133-R137 VanDerWaalsContact O-N 3.07Å; W134-R137 PolarHBondContact O-N 3.46Å; L135-R137 PolarHBondContact O-N 2.81Å; R137-A139 PolarHBondContact O-N 2.86Å; R137-S140 WeakPolarHBondContact CA-OG 3.34Å; R137-S140 PolarHBondContact O-N 3.38Å; R137-S140 PolarHBondContact O-OG 3.46Å; R137-E141 WeakPolarHBondContact O-CB 3.29Å; R137-E141 WeakPolarHBondContact O-CG 3.36Å; R137-E141 PolarHBondContact O-N 3.37Å
138L89.4Confident87.3Confident58 Ų58110.1 Ų110.130%0.30452%0.516SS..Hα-helixtrans-66.3-37.5176.7-70.9176.1000112.9W134 L135 K142W134-L138 HydrophobicContact CD2-CD1 3.95Å; W134-L138 HydrophobicContact CE3-CD1 3.62Å; W134-L138 HydrophobicContact CH2-CD1 3.34Å; W134-L138 HydrophobicContact CZ2-CD1 3.65Å; W134-L138 HydrophobicContact CZ2-CG 4.47Å; W134-L138 HydrophobicContact CZ3-CD1 3.31Å; W134-L138 WeakPolarHBondContact O-CG 3.32Å; W134-L138 PolarHBondContact O-N 2.78Å; W134-L138 VanDerWaalsContact O-N 3.13Å; L135-L138 PolarHBondContact O-N 3.44Å; L138-K142 VanDerWaalsContact O-CG 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.18Å; L138-K142 PolarHBondContact O-N 3.15Å; L138-K142 VanDerWaalsContact O-N 3.13Å
139A89Confident86.4Confident53 Ų53111.2 Ų111.244%0.43853%0.527SS..Hα-helixtrans-65.9-46.6177.400000111.3L135 D136 R137 E141 K142 V143L135-A139 PolarHBondContact O-N 2.84Å; D136-A139 PolarHBondContact O-N 3.42Å; R137-A139 PolarHBondContact O-N 2.86Å; A139-E141 PolarHBondContact O-N 2.85Å; A139-K142 WeakPolarHBondContact O-CB 3.44Å; A139-K142 PolarHBondContact O-N 3.31Å; A139-V143 PolarHBondContact O-N 3.18Å; A139-V143 VanDerWaalsContact O-N 3.11Å
140S78.9Confident84.8Confident69 Ų69118 Ų11848%0.48356%0.559SS.*Hα-helixtrans-64.4-38.6177.452.40000112.9D136 R137 K142 V143 R144D136-S140 PolarHBondContact O-N 3.13Å; D136-S140 PolarHBondContact O-OG 2.81Å; R137-S140 WeakPolarHBondContact CA-OG 3.34Å; R137-S140 PolarHBondContact O-N 3.38Å; R137-S140 PolarHBondContact O-OG 3.46Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 3.36Å; S140-V143 PolarHBondContact O-N 3.17Å; S140-R144 WeakPolarHBondContact O-CB 3.43Å; S140-R144 PolarHBondContact O-N 3.33Å
141E87.9Confident84.5Confident96 Ų96118.8 Ų118.845%0.44956%0.561SS.*Hα-helixtrans-61.9-38.3172.7-78.1179.4-161.800112.7R137 A139 R145R137-E141 WeakPolarHBondContact O-CB 3.29Å; R137-E141 WeakPolarHBondContact O-CG 3.36Å; R137-E141 PolarHBondContact O-N 3.37Å; A139-E141 PolarHBondContact O-N 2.85Å; E141-R145 WeakPolarHBondContact O-CG 3.34Å; E141-R145 PolarHBondContact O-N 2.88Å; E141-R145 VanDerWaalsContact O-N 3.17Å; E141-R145 IonicContact OE2-NH2 2.73Å
142K85.6Confident84Confident152 Ų152116 Ų11666%0.66156%0.557SS**Hα-helixtrans-64-46.6176.2-75.2174.2-178.7-177.60111.5L138 A139 S140 R144 R145 Q146L138-K142 VanDerWaalsContact O-CG 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.18Å; L138-K142 PolarHBondContact O-N 3.15Å; L138-K142 VanDerWaalsContact O-N 3.13Å; A139-K142 WeakPolarHBondContact O-CB 3.44Å; A139-K142 PolarHBondContact O-N 3.31Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 3.36Å; K142-R144 VanDerWaalsContact C-N 3.35Å; K142-R145 PolarHBondContact O-N 3.14Å; K142-Q146 PolarHBondContact O-N 3.43Å
143V82.9Confident83.5Confident81 Ų81116.5 Ų116.549%0.49156%0.56SS.*Hα-helixtrans-62-44.51781750000110.7A139 S140 R145 Q146 I147A139-V143 PolarHBondContact O-N 3.18Å; A139-V143 VanDerWaalsContact O-N 3.11Å; S140-V143 PolarHBondContact O-N 3.17Å; V143-R145 PolarHBondContact O-N 3.1Å; V143-Q146 WeakPolarHBondContact O-CB 3.44Å; V143-Q146 PolarHBondContact O-N 2.89Å; V143-Q146 VanDerWaalsContact O-N 3.13Å; V143-I147 HydrophobicContact CG1-CD1 4.24Å; V143-I147 PolarHBondContact O-N 3.24Å
144R80.3Confident83Confident164 Ų164113.7 Ų113.762%0.61956%0.556SS**Hα-helixtrans-61.9-40.2-178.3-171.3174.8166.7-140.7-16.2112.9S140 K142 Q146 I147 E148S140-R144 WeakPolarHBondContact O-CB 3.43Å; S140-R144 PolarHBondContact O-N 3.33Å; K142-R144 VanDerWaalsContact C-N 3.35Å; R144-Q146 VanDerWaalsContact C-N 3.3Å; R144-Q146 PolarHBondContact O-N 3.43Å; R144-I147 PolarHBondContact O-N 3.33Å; R144-E148 IonicContact CZ-OE1 3.95Å; R144-E148 VanDerWaalsContact CZ-OE1 3.3Å; R144-E148 IonicContact NE-OE1 3.25Å; R144-E148 PolarHBondContact NE-OE1 3.41Å; R144-E148 VanDerWaalsContact NE-OE1 3.15Å; R144-E148 IonicContact NH2-OE1 2.69Å; R144-E148 PolarHBondContact NH2-OE1 3.08Å; R144-E148 PolarHBondContact O-N 2.91Å; R144-E148 VanDerWaalsContact O-N 3.14Å
145R79.8Confident82.5Confident126 Ų126114.3 Ų114.348%0.47557%0.566SS.*Hα-helixtrans-66.9-29.4176-70.6-174.4-158.3159.810.9113.5E141 K142 V143 I147 S149E141-R145 WeakPolarHBondContact O-CG 3.34Å; E141-R145 PolarHBondContact O-N 2.88Å; E141-R145 VanDerWaalsContact O-N 3.17Å; E141-R145 IonicContact OE2-NH2 2.73Å; K142-R145 PolarHBondContact O-N 3.14Å; V143-R145 PolarHBondContact O-N 3.1Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-S149 PolarHBondContact O-N 3.16Å; R145-S149 PolarHBondContact O-OG 2.98Å
146Q77.3Confident81.9Confident130 Ų130116.3 Ų116.361%0.60758%0.575SS**Hα-helixtrans-67.3-33.1173.8-69.5-176.9-53.400111.8K142 V143 R144 S149 I150K142-Q146 PolarHBondContact O-N 3.43Å; V143-Q146 WeakPolarHBondContact O-CB 3.44Å; V143-Q146 PolarHBondContact O-N 2.89Å; V143-Q146 VanDerWaalsContact O-N 3.13Å; R144-Q146 VanDerWaalsContact C-N 3.3Å; R144-Q146 PolarHBondContact O-N 3.43Å; Q146-S149 PolarHBondContact O-OG 3.02Å; Q146-I150 WeakPolarHBondContact O-CG1 3.42Å
147I82.2Confident81.4Confident114 Ų114117.2 Ų117.259%0.58558%0.576SS**Hα-helixtrans-75.1-38.9178.5-60.3167.7000111.2V143 R144 R145 S149V143-I147 HydrophobicContact CG1-CD1 4.24Å; V143-I147 PolarHBondContact O-N 3.24Å; R144-I147 PolarHBondContact O-N 3.33Å; R145-I147 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.35Å
148E78.3Confident80.7Confident124 Ų124112.8 Ų112.858%0.57957%0.57SS**Hα-helixtrans-72.8-14.1178.9-73172.4-17900113.6R144R144-E148 IonicContact CZ-OE1 3.95Å; R144-E148 VanDerWaalsContact CZ-OE1 3.3Å; R144-E148 IonicContact NE-OE1 3.25Å; R144-E148 PolarHBondContact NE-OE1 3.41Å; R144-E148 VanDerWaalsContact NE-OE1 3.15Å; R144-E148 IonicContact NH2-OE1 2.69Å; R144-E148 PolarHBondContact NH2-OE1 3.08Å; R144-E148 PolarHBondContact O-N 2.91Å; R144-E148 VanDerWaalsContact O-N 3.14Å
149S74.6Confident80Confident98 Ų98117.3 Ų117.369%0.68559%0.592SS**THydrogen-bonded Turntrans-95.7-2178.464.70000115.1R145 Q146 I147R145-S149 PolarHBondContact O-N 3.16Å; R145-S149 PolarHBondContact O-OG 2.98Å; Q146-S149 PolarHBondContact O-OG 3.02Å; I147-S149 PolarHBondContact O-N 3.35Å
150I63.5Low79.2Confident201 Ų201123.2 Ų123.2100%1.03161%0.606SS**  trans-94.60174.8-66.8168.4000108.2Q146Q146-I150 WeakPolarHBondContact O-CG1 3.42Å

Retrieved 150 of 150 residues in 157.6 ms (Link to these results)