A0A077ZIY5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 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
1M36.3Very low42.1Very low237 Ų237162.1 Ų162.1100%1.16776%0.76SS**  087.80-168.4176.6175.200107.8
2C28.1Very low43.6Very low119 Ų119159.4 Ų159.480%0.80474%0.744SS**  trans-126.326.4-159-62.80000114.5
3I35.6Very low45.1Very low162 Ų162154.8 Ų154.883%0.83173%0.726SS**  trans-92.9-6.9-169.9-48.4-179.7000113
4L34Very low46.1Very low153 Ų153150.9 Ų150.980%0.80171%0.711SS**SBendtrans-91.1-10.2-173.6-72.8166.2000115.5
5F32.5Very low47.6Very low182 Ų182148.3 Ų148.380%0.79870%0.703SS**THydrogen-bonded Turntrans-82.9-23.2-168.3-144.5-100.9000115
6R40.3Very low48.5Very low239 Ų239147.9 Ų147.990%0.90269%0.693SS**THydrogen-bonded Turntrans-84-20.9-178.9-93-167.9179.4-166.71.4115.3
7R42.8Very low49.6Very low205 Ų205142.9 Ų142.977%0.77467%0.671SS**Hα-helixtrans-77.5-21.9178.8-81.2-173.3170.9174.3-2.4113.5L11R7-L11 WeakPolarHBondContact O-CD1 3.31Å
8S53.6Low50.5Low57 Ų57141.3 Ų141.340%0.39967%0.667SS.*Hα-helixtrans-69.6-37.3-174-171.70000113.6R10 L11 K12S8-R10 PolarHBondContact O-N 2.93Å; S8-L11 PolarHBondContact O-N 3.26Å; S8-K12 WeakPolarHBondContact O-CG 3.22Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.14Å
9Q50.9Low51.5Low120 Ų120143.7 Ų143.756%0.56168%0.675SS**Hα-helixtrans-65.7-41.4-178-69.5-83.5-4.800112.2K12 I13Q9-K12 PolarHBondContact O-N 2.98Å; Q9-I13 WeakPolarHBondContact O-CG1 3.3Å; Q9-I13 PolarHBondContact O-N 3.47Å; Q9-I13 VanDerWaalsContact O-N 3.15Å
10R52.4Low52.1Low199 Ų199142.1 Ų142.175%0.75167%0.67SS**Hα-helixtrans-66.8-39.4179.4-81.9-173165.7-179-4.1112.8S8 I13 L14S8-R10 PolarHBondContact O-N 2.93Å; R10-I13 PolarHBondContact O-N 3.35Å; R10-L14 PolarHBondContact O-N 3.26Å; R10-L14 VanDerWaalsContact O-N 3.12Å
11L56.1Low52.5Low110 Ų110137.4 Ų137.458%0.57666%0.66SS**Hα-helixtrans-66.6-39.1174.8-9496.1000111.9R7 S8 I13 L14 L15R7-L11 WeakPolarHBondContact O-CD1 3.31Å; S8-L11 PolarHBondContact O-N 3.26Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 3.22Å; L11-L15 WeakPolarHBondContact O-CB 3.14Å; L11-L15 PolarHBondContact O-N 3.19Å
12K60.3Low53.5Low130 Ų130129.2 Ų129.257%0.56562%0.62SS**Hα-helixtrans-61.2-41.1177.2-72.9177.5-176.7-172.50112S8 Q9 R16S8-K12 WeakPolarHBondContact O-CG 3.22Å; S8-K12 PolarHBondContact O-N 3.07Å; S8-K12 VanDerWaalsContact O-N 3.14Å; Q9-K12 PolarHBondContact O-N 2.98Å; K12-R16 WeakPolarHBondContact O-CB 3.26Å; K12-R16 PolarHBondContact O-N 3.05Å
13I63.8Low54.9Low99 Ų99132.3 Ų132.351%0.50862%0.616SS.*Hα-helixtrans-64.8-47.7176.1-67.3164.7000110.7Q9 R10 L11 L15 R16 I17Q9-I13 WeakPolarHBondContact O-CG1 3.3Å; Q9-I13 PolarHBondContact O-N 3.47Å; Q9-I13 VanDerWaalsContact O-N 3.15Å; R10-I13 PolarHBondContact O-N 3.35Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 2.95Å; I13-L15 PolarHBondContact O-N 3.13Å; I13-R16 PolarHBondContact O-N 3.27Å; I13-R16 VanDerWaalsContact O-N 3.13Å; I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.44Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 3.34Å
14L58.6Low55.8Low100 Ų100133 Ų13352%0.52462%0.616SS.*Hα-helixtrans-61.2-43.6177.7-110.5132.2000112.5R10 L11 R16 I17 L18R10-L14 PolarHBondContact O-N 3.26Å; R10-L14 VanDerWaalsContact O-N 3.12Å; L11-L14 PolarHBondContact O-N 3.22Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.1Å; L14-I17 PolarHBondContact O-N 3.14Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 2.67Å
15L68Low56.5Low112 Ų112129.4 Ų129.459%0.58660%0.595SS**Hα-helixtrans-61.9-36.2173.7-98.9135.4000112.1L11 I13 K19L11-L15 WeakPolarHBondContact O-CB 3.14Å; L11-L15 PolarHBondContact O-N 3.19Å; I13-L15 PolarHBondContact O-N 3.13Å; L15-K19 WeakPolarHBondContact O-CB 3.22Å; L15-K19 PolarHBondContact O-N 3.28Å
16R63.2Low57.2Low142 Ų142124.5 Ų124.554%0.53658%0.582SS.*Hα-helixtrans-70.8-41177.2-156169.9-171.6173.83.1111.4K12 I13 L14 K19 L20K12-R16 WeakPolarHBondContact O-CB 3.26Å; K12-R16 PolarHBondContact O-N 3.05Å; I13-R16 PolarHBondContact O-N 3.27Å; I13-R16 VanDerWaalsContact O-N 3.13Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.1Å; R16-K19 PolarHBondContact O-N 3.15Å; R16-L20 HydrophobicContact CG-CD1 4.05Å; R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.46Å; R16-L20 WeakPolarHBondContact O-CD1 3.35Å; R16-L20 WeakPolarHBondContact O-CG 3.45Å; R16-L20 PolarHBondContact O-N 3.23Å
17I66.2Low57.6Low63 Ų63117.6 Ų117.632%0.32357%0.57SS.*Hα-helixtrans-62-45.1174.5-67166.3000110.7I13 L14 G21 L22 Y23I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.44Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 3.34Å; L14-I17 PolarHBondContact O-N 3.14Å; I17-G21 PolarHBondContact O-N 2.93Å; I17-L22 HydrophobicContact CG2-CB 4.09Å; I17-L22 PolarHBondContact O-N 3.45Å; I17-L22 VanDerWaalsContact O-N 3.12Å; I17-Y23 HydrophobicContact CG2-CD2 4.25Å
18L65.8Low57.6Low115 Ų115113.6 Ų113.660%0.60256%0.564SS**Hα-helixtrans-63.6-46.8175.1-96150.4000112.2L14 L20 G21L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 2.67Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.17Å; L18-G21 PolarHBondContact O-N 2.67Å; L18-G21 VanDerWaalsContact O-N 3.15Å
19K70.1Confident57.2Low187 Ų187118.8 Ų118.881%0.81358%0.575SS**Hα-helixtrans-66.1-28.9-178.7-169.8173.9-175.5179.60112.9L15 R16 G21L15-K19 WeakPolarHBondContact O-CB 3.22Å; L15-K19 PolarHBondContact O-N 3.28Å; R16-K19 PolarHBondContact O-N 3.15Å; K19-G21 VanDerWaalsContact C-N 3.34Å
20L64Low56.8Low110 Ų110115.7 Ų115.758%0.57656%0.562SS**THydrogen-bonded Turntrans-87.41.5177.2-66.8172000113.3R16 L18 L22R16-L20 HydrophobicContact CG-CD1 4.05Å; R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.46Å; R16-L20 WeakPolarHBondContact O-CD1 3.35Å; R16-L20 WeakPolarHBondContact O-CG 3.45Å; R16-L20 PolarHBondContact O-N 3.23Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.17Å; L20-L22 HydrophobicContact CB-CD1 3.72Å; L20-L22 HydrophobicContact CB-CG 3.69Å; L20-L22 HydrophobicContact CD1-CD1 3.87Å; L20-L22 HydrophobicContact CG-CD1 4.47Å; L20-L22 PolarHBondContact O-N 3.5Å
21G59.5Low56.4Low45 Ų45115.1 Ų115.146%0.46456%0.56SS.*THydrogen-bonded Turntrans66.518-179.700000114.1I17 L18 K19 Y23I17-G21 PolarHBondContact O-N 2.93Å; L18-G21 PolarHBondContact O-N 2.67Å; L18-G21 VanDerWaalsContact O-N 3.15Å; K19-G21 VanDerWaalsContact C-N 3.34Å; G21-Y23 PolarHBondContact O-N 2.85Å
22L58.7Low55.9Low64 Ų64114.8 Ų114.834%0.33556%0.558SS.*THydrogen-bonded Turntrans-78.5-3.8-172.6-64.5172.3000113.4I17 L20 L30I17-L22 HydrophobicContact CG2-CB 4.09Å; I17-L22 PolarHBondContact O-N 3.45Å; I17-L22 VanDerWaalsContact O-N 3.12Å; L20-L22 HydrophobicContact CB-CD1 3.72Å; L20-L22 HydrophobicContact CB-CG 3.69Å; L20-L22 HydrophobicContact CD1-CD1 3.87Å; L20-L22 HydrophobicContact CG-CD1 4.47Å; L20-L22 PolarHBondContact O-N 3.5Å; L22-L30 HydrophobicContact CD2-CD1 4.11Å; L22-L30 HydrophobicContact CD2-CD2 3.86Å
23Y56.1Low55.1Low184 Ų184110.9 Ų110.972%0.72255%0.547SS*.THydrogen-bonded Turntrans-83.2-23.8-179.1-148.5-93.8000113I17 G21I17-Y23 HydrophobicContact CG2-CD2 4.25Å; G21-Y23 PolarHBondContact O-N 2.85Å
24E55.6Low54.3Low177 Ų177111.1 Ų111.183%0.82755%0.549SS*.SBendtrans-93-6-177.6-77-88145.100113
25Q47.9Very low53.8Low77 Ų77112.3 Ų112.336%0.3655%0.552SS.*SBendtrans-105.5117.8-179.7-72.6-168.9-14.700110.6S27Q25-S27 PolarHBondContact O-N 2.98Å
26P47.4Very low52.9Low80 Ų80113.7 Ų113.752%0.51956%0.555SS.*  trans-56.9136.4167.124-30.8000107.4N28 R29P26-N28 PolarHBondContact O-N 3.42Å; P26-R29 PolarHBondContact O-N 3.24Å
27S48.8Very low52.1Low94 Ų94111.8 Ų111.866%0.65756%0.556SS**Hα-helixtrans-49.2-19.3-177-360000113.9Q25Q25-S27 PolarHBondContact O-N 2.98Å
28N43.4Very low51.1Low120 Ų120113.2 Ų113.264%0.64256%0.561SS**Hα-helixtrans-71.4-26.1174.7-64.2-18.9000114.5P26P26-N28 PolarHBondContact O-N 3.42Å
29R44.3Very low50.3Low166 Ų166116 Ų11663%0.62657%0.571SS**Hα-helixtrans-78.8-34.6175.6-97.5-169.2174.7179.6-1.2112.9P26 R31 L32 S33P26-R29 PolarHBondContact O-N 3.24Å; R29-R31 PolarHBondContact O-N 3.19Å; R29-L32 PolarHBondContact O-N 2.79Å; R29-S33 PolarHBondContact O-N 3.17Å; R29-S33 VanDerWaalsContact O-N 3.12Å; R29-S33 PolarHBondContact O-OG 3.16Å
30L42.9Very low49.1Very low56 Ų56114 Ų11429%0.29357%0.567SS.*Hα-helixtrans-61.2-32.5175-69.5169.7000111.6L22 L32 S33 L34L22-L30 HydrophobicContact CD2-CD1 4.11Å; L22-L30 HydrophobicContact CD2-CD2 3.86Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.82Å; L30-S33 PolarHBondContact O-OG 2.95Å; L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CD1 3.22Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.72Å
31R44.2Very low48.3Very low186 Ų186114 Ų11470%0.70257%0.567SS**Hα-helixtrans-63.1-36.9172.6-94.1-177160.9175.5-5.6113.4R29 Q35R29-R31 PolarHBondContact O-N 3.19Å; R31-Q35 PolarHBondContact O-N 3.02Å; R31-Q35 VanDerWaalsContact O-N 3.14Å
32L44.9Very low47.5Very low104 Ų104114.2 Ų114.255%0.54557%0.57SS.*Hα-helixtrans-78.2-37.2-178-71.9166.5000112.3R29 L30 Q36R29-L32 PolarHBondContact O-N 2.79Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 2.82Å; L32-Q36 WeakPolarHBondContact O-CG 3.11Å; L32-Q36 PolarHBondContact O-N 3.12Å
33S44.1Very low47Very low48 Ų48116.6 Ų116.634%0.33659%0.59SS.*Hα-helixtrans-71.7-36.8174.654.10000112R29 L30 Q36 D37R29-S33 PolarHBondContact O-N 3.17Å; R29-S33 VanDerWaalsContact O-N 3.12Å; R29-S33 PolarHBondContact O-OG 3.16Å; L30-S33 PolarHBondContact O-OG 2.95Å; S33-Q36 PolarHBondContact O-N 3.49Å; S33-D37 PolarHBondContact O-N 3.03Å; S33-D37 VanDerWaalsContact O-N 3.1Å
34L47.6Very low46.9Very low104 Ų104109.9 Ų109.955%0.54557%0.566SS.*Hα-helixtrans-64.6-41174-72.4169.5000111.8L30 Q36 D37 E38L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CD1 3.22Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.72Å; L34-Q36 PolarHBondContact O-N 3.32Å; L34-D37 PolarHBondContact O-N 3.27Å; L34-E38 VanDerWaalsContact O-CG 3.22Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.16Å
35Q47.6Very low47Very low124 Ų124106.9 Ų106.958%0.57956%0.562SS**Hα-helixtrans-62.8-24.9174.6-90.3-174.1-50.100114.1R31R31-Q35 PolarHBondContact O-N 3.02Å; R31-Q35 VanDerWaalsContact O-N 3.14Å
36Q47.9Very low47.5Very low142 Ų142108.8 Ų108.866%0.66457%0.571SS**Hα-helixtrans-83.2-35.1176.6-73175.6-4.500111.8L32 S33 L34 Q39L32-Q36 WeakPolarHBondContact O-CG 3.11Å; L32-Q36 PolarHBondContact O-N 3.12Å; S33-Q36 PolarHBondContact O-N 3.49Å; L34-Q36 PolarHBondContact O-N 3.32Å; Q36-Q39 PolarHBondContact O-N 3.15Å
37D46.3Very low48.1Very low101 Ų101108.2 Ų108.254%0.5457%0.565SS.*Hα-helixtrans-74.4-23.7173-80-25.3000113.2S33 L34 Q39 I40 L41S33-D37 PolarHBondContact O-N 3.03Å; S33-D37 VanDerWaalsContact O-N 3.1Å; L34-D37 PolarHBondContact O-N 3.27Å; D37-Q39 PolarHBondContact O-N 3.19Å; D37-Q39 VanDerWaalsContact O-N 3.13Å; D37-I40 PolarHBondContact O-N 2.93Å; D37-L41 PolarHBondContact O-N 3.41Å; D37-L41 VanDerWaalsContact O-N 3.07Å
38E46.7Very low48.5Very low93 Ų93112.5 Ų112.544%0.43558%0.575SS.*THydrogen-bonded Turntrans-62.9-14173-72.1-141.8124.200113.5L34L34-E38 VanDerWaalsContact O-CG 3.22Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.16Å
39Q47.6Very low49.6Very low175 Ų175110.1 Ų110.182%0.81857%0.567SS**THydrogen-bonded Turntrans-84.9-15172.6-64.4-164.530.300113.5Q36 D37Q36-Q39 PolarHBondContact O-N 3.15Å; D37-Q39 PolarHBondContact O-N 3.19Å; D37-Q39 VanDerWaalsContact O-N 3.13Å
40I46.5Very low50.9Low143 Ų143105.3 Ų105.373%0.73355%0.554SS**THydrogen-bonded Turntrans-105.8-22.4-179.1-56.6178.3000110.9D37D37-I40 PolarHBondContact O-N 2.93Å
41L45.5Very low52.8Low110 Ų110106.4 Ų106.458%0.57656%0.56SS**SBendtrans-129.4107177.5-143.878000107.2D37 I44D37-L41 PolarHBondContact O-N 3.41Å; D37-L41 VanDerWaalsContact O-N 3.07Å; L41-I44 HydrophobicContact CD2-CD1 4.5Å
42G43Very low54.6Low51 Ų51102.6 Ų102.653%0.52657%0.568SS.*  trans-48.4161.6-169.500000115.8I44G42-I44 VanDerWaalsContact O-CG1 3.3Å; G42-I44 WeakPolarHBondContact O-CG1 3.42Å; G42-I44 PolarHBondContact O-N 3.09Å
43P48.8Very low56.4Low114 Ų114102.6 Ų102.674%0.7458%0.577SS**  trans-57.8124.7-165.525.1-33.8000110.9P45P43-P45 VanDerWaalsContact O-CD 3.31Å; P43-P45 WeakPolarHBondContact O-CD 3.5Å
44I54.5Low58.3Low43 Ų43102.3 Ų102.322%0.22157%0.571CS.*  trans-94.6110.5-174-59.6178.2000108.5L41 G42 E46 V47L41-I44 HydrophobicContact CD2-CD1 4.5Å; G42-I44 VanDerWaalsContact O-CG1 3.3Å; G42-I44 WeakPolarHBondContact O-CG1 3.42Å; G42-I44 PolarHBondContact O-N 3.09Å; I44-E46 PolarHBondContact O-N 3.12Å; I44-V47 HydrophobicContact CB-CG2 4.46Å; I44-V47 HydrophobicContact CG2-CG2 4.3Å
45P57.3Low60Low114 Ų11499.2 Ų99.274%0.7456%0.561SS**THydrogen-bonded Turntrans-69-9-169.4-19.432.9000115.3P43P43-P45 VanDerWaalsContact O-CD 3.31Å; P43-P45 WeakPolarHBondContact O-CD 3.5Å
46E58.4Low61.6Low117 Ų11799.7 Ų99.755%0.54756%0.563SS.*THydrogen-bonded Turntrans-106.8-6.3-160.8-68.5172.6173.200115.1I44 H48 S49I44-E46 PolarHBondContact O-N 3.12Å; E46-H48 PolarHBondContact O-N 3.29Å; E46-S49 PolarHBondContact O-N 2.89Å; E46-S49 PolarHBondContact O-OG 2.94Å
47V59.1Low63.3Low67 Ų6799.1 Ų99.141%0.40656%0.561SS.*G310 helixtrans-63.3-30.1-177.7-1760000111.4I44 S49 L50I44-V47 HydrophobicContact CB-CG2 4.46Å; I44-V47 HydrophobicContact CG2-CG2 4.3Å; V47-S49 VanDerWaalsContact C-N 3.28Å; V47-S49 PolarHBondContact O-N 3.12Å; V47-L50 HydrophobicContact CB-CD1 4.36Å; V47-L50 HydrophobicContact CG1-CD1 4.03Å; V47-L50 WeakPolarHBondContact O-CB 3.28Å; V47-L50 PolarHBondContact O-N 2.83Å
48H58.3Low65Low185 Ų18596.4 Ų96.486%0.85654%0.543SS*.G310 helixtrans-71.3-18.8-179-64-62.3000114.3E46E46-H48 PolarHBondContact O-N 3.29Å
49S66.3Low66.7Low70 Ų7094.4 Ų94.449%0.4954%0.537SS..G310 helixtrans-97.60.2176.249.30000114.3E46 V47 N51 N54E46-S49 PolarHBondContact O-N 2.89Å; E46-S49 PolarHBondContact O-OG 2.94Å; V47-S49 VanDerWaalsContact C-N 3.28Å; V47-S49 PolarHBondContact O-N 3.12Å; S49-N51 PolarHBondContact O-N 3.36Å; S49-N54 PolarHBondContact O-ND2 3.09Å
50L72.1Confident68.4Low65 Ų6588.6 Ų88.634%0.3451%0.511SS..  trans-64122.6-179-78.7170.8000111.6V47 N54 Y58V47-L50 HydrophobicContact CB-CD1 4.36Å; V47-L50 HydrophobicContact CG1-CD1 4.03Å; V47-L50 WeakPolarHBondContact O-CB 3.28Å; V47-L50 PolarHBondContact O-N 2.83Å; L50-N54 WeakPolarHBondContact CA-OD1 3.41Å; L50-Y58 HydrophobicContact CD1-CD1 4.1Å; L50-Y58 HydrophobicContact CD1-CE1 3.78Å; L50-Y58 HydrophobicContact CD1-CE2 4.27Å; L50-Y58 HydrophobicContact CD1-CG 4.44Å; L50-Y58 HydrophobicContact CD2-CD1 3.57Å; L50-Y58 HydrophobicContact CD2-CD2 3.72Å; L50-Y58 HydrophobicContact CD2-CE1 4.12Å; L50-Y58 HydrophobicContact CD2-CE2 4.27Å; L50-Y58 HydrophobicContact CD2-CG 3.31Å; L50-Y58 HydrophobicContact CG-CD1 4.44Å; L50-Y58 HydrophobicContact CG-CD2 4.41Å; L50-Y58 HydrophobicContact CG-CG 4.34Å
51N81.8Confident70Confident79 Ų7986.8 Ų86.842%0.42251%0.511SS..  trans-138.5172.8176.163.137.4000109.9S49 S53 N54 A55S49-N51 PolarHBondContact O-N 3.36Å; N51-S53 VanDerWaalsContact CG-OG 3.28Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 VanDerWaalsContact O-N 3.17Å; N51-S53 PolarHBondContact OD1-N 3.02Å; N51-S53 PolarHBondContact OD1-OG 3.29Å; N51-N54 PolarHBondContact N-OD1 3.39Å; N51-N54 PolarHBondContact O-N 2.95Å; N51-N54 PolarHBondContact O-OD1 3.3Å; N51-N54 VanDerWaalsContact OD1-CG 3.22Å; N51-N54 PolarHBondContact OD1-N 2.6Å; N51-N54 PolarHBondContact OD1-OD1 2.78Å; N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 2.75Å
52A82Confident71.7Confident106 Ų10685.7 Ų85.788%0.87650%0.499SS*.THydrogen-bonded Turntrans-60.6-28-177.500000113.3
53S83.4Confident73.4Confident104 Ų10488.9 Ų88.973%0.72750%0.496SS*.THydrogen-bonded Turntrans-76-33.5179.934.60000114.1N51N51-S53 VanDerWaalsContact CG-OG 3.28Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 VanDerWaalsContact O-N 3.17Å; N51-S53 PolarHBondContact OD1-N 3.02Å; N51-S53 PolarHBondContact OD1-OG 3.29Å
54N84Confident75Confident41 Ų4187.3 Ų87.322%0.21948%0.484CS..THydrogen-bonded Turntrans-104.8-7-177.766.513.5000114.2S49 L50 N51 H56 E57 Y58S49-N54 PolarHBondContact O-ND2 3.09Å; L50-N54 WeakPolarHBondContact CA-OD1 3.41Å; N51-N54 PolarHBondContact N-OD1 3.39Å; N51-N54 PolarHBondContact O-N 2.95Å; N51-N54 PolarHBondContact O-OD1 3.3Å; N51-N54 VanDerWaalsContact OD1-CG 3.22Å; N51-N54 PolarHBondContact OD1-N 2.6Å; N51-N54 PolarHBondContact OD1-OD1 2.78Å; N54-H56 PolarHBondContact O-N 3.07Å; N54-H56 VanDerWaalsContact O-N 3.16Å; N54-E57 PolarHBondContact O-N 3.17Å; N54-Y58 PolarHBondContact O-N 3.34Å
55A83.2Confident76.1Confident40 Ų4091.6 Ų91.633%0.33150%0.503SS..Hα-helixtrans-55.6-36.6-177.600000113.2N51 V59N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 2.75Å; A55-V59 WeakPolarHBondContact O-CB 3.36Å; A55-V59 VanDerWaalsContact O-CG2 3.22Å; A55-V59 WeakPolarHBondContact O-CG2 3.42Å; A55-V59 PolarHBondContact O-N 2.86Å
56H81.5Confident76.9Confident133 Ų13390 Ų9062%0.61649%0.494SS*.Hα-helixtrans-66-48.3178.8178.2-104.9000112.2N54 V59 N60N54-H56 PolarHBondContact O-N 3.07Å; N54-H56 VanDerWaalsContact O-N 3.16Å; H56-V59 PolarHBondContact O-N 3.49Å; H56-N60 PolarHBondContact CE1-ND2 2.9Å; H56-N60 PolarHBondContact ND1-ND2 3.27Å; H56-N60 PolarHBondContact NE2-ND2 3.46Å; H56-N60 VanDerWaalsContact NE2-ND2 3.15Å; H56-N60 WeakPolarHBondContact O-CB 3.3Å; H56-N60 VanDerWaalsContact O-CG 3.27Å; H56-N60 PolarHBondContact O-N 3.32Å
57E84Confident77.5Confident131 Ų13186.3 Ų86.361%0.61248%0.481SS*.Hα-helixtrans-62.3-45.1177.9-70.4174.918000110.8N54 V59 N60 C61N54-E57 PolarHBondContact O-N 3.17Å; E57-V59 PolarHBondContact O-N 3.49Å; E57-N60 PolarHBondContact O-N 3.19Å; E57-C61 WeakPolarHBondContact O-CB 3.27Å; E57-C61 PolarHBondContact O-N 3.02Å; E57-C61 PolarHBondContact O-SG 3.38Å
58Y81Confident78.5Confident44 Ų4487.7 Ų87.717%0.17348%0.482CS..Hα-helixtrans-58.3-46.9176.6177-95.5000112.6L50 N54 C61 R62L50-Y58 HydrophobicContact CD1-CD1 4.1Å; L50-Y58 HydrophobicContact CD1-CE1 3.78Å; L50-Y58 HydrophobicContact CD1-CE2 4.27Å; L50-Y58 HydrophobicContact CD1-CG 4.44Å; L50-Y58 HydrophobicContact CD2-CD1 3.57Å; L50-Y58 HydrophobicContact CD2-CD2 3.72Å; L50-Y58 HydrophobicContact CD2-CE1 4.12Å; L50-Y58 HydrophobicContact CD2-CE2 4.27Å; L50-Y58 HydrophobicContact CD2-CG 3.31Å; L50-Y58 HydrophobicContact CG-CD1 4.44Å; L50-Y58 HydrophobicContact CG-CD2 4.41Å; L50-Y58 HydrophobicContact CG-CG 4.34Å; N54-Y58 PolarHBondContact O-N 3.34Å; Y58-C61 PolarHBondContact O-N 2.97Å; Y58-R62 VanDerWaalsContact O-CB 3.22Å; Y58-R62 WeakPolarHBondContact O-CB 3.22Å; Y58-R62 PolarHBondContact O-N 3.26Å; Y58-R62 PolarHBondContact OH-NH1 3.04Å
59V82.8Confident79.4Confident51 Ų5188.4 Ų88.431%0.30949%0.485SS..Hα-helixtrans-65.3-40.3178.7170.40000111A55 H56 E57 R62 Y63A55-V59 WeakPolarHBondContact O-CB 3.36Å; A55-V59 VanDerWaalsContact O-CG2 3.22Å; A55-V59 WeakPolarHBondContact O-CG2 3.42Å; A55-V59 PolarHBondContact O-N 2.86Å; H56-V59 PolarHBondContact O-N 3.49Å; E57-V59 PolarHBondContact O-N 3.49Å; V59-R62 PolarHBondContact O-N 3.44Å; V59-Y63 HydrophobicContact CG1-CD2 4.24Å; V59-Y63 WeakPolarHBondContact O-CA 3.49Å; V59-Y63 WeakPolarHBondContact O-CB 3.16Å; V59-Y63 PolarHBondContact O-N 3.23Å
60N81.9Confident80Confident52 Ų5291.2 Ų91.228%0.27850%0.495SS..Hα-helixtrans-66.8-41.4177.9-72.8-12000112.4H56 E57 V64 C67H56-N60 PolarHBondContact CE1-ND2 2.9Å; H56-N60 PolarHBondContact ND1-ND2 3.27Å; H56-N60 PolarHBondContact NE2-ND2 3.46Å; H56-N60 VanDerWaalsContact NE2-ND2 3.15Å; H56-N60 WeakPolarHBondContact O-CB 3.3Å; H56-N60 VanDerWaalsContact O-CG 3.27Å; H56-N60 PolarHBondContact O-N 3.32Å; E57-N60 PolarHBondContact O-N 3.19Å; N60-V64 VanDerWaalsContact O-CA 3.26Å; N60-V64 WeakPolarHBondContact O-CA 3.32Å; N60-V64 WeakPolarHBondContact O-CG2 3.48Å; N60-V64 PolarHBondContact O-N 3.09Å; N60-C67 VanDerWaalsContact OD1-CB 3.28Å; N60-C67 WeakPolarHBondContact OD1-CB 3.3Å; N60-C67 PolarHBondContact OD1-SG 3.41Å
61C80.4Confident80.1Confident106 Ų10694.3 Ų94.372%0.71651%0.511SS*.Hα-helixtrans-67.7-40.2176.9-69.90000112E57 Y58 V64E57-C61 WeakPolarHBondContact O-CB 3.27Å; E57-C61 PolarHBondContact O-N 3.02Å; E57-C61 PolarHBondContact O-SG 3.38Å; Y58-C61 PolarHBondContact O-N 2.97Å; C61-V64 WeakPolarHBondContact O-CG2 3.34Å
62R81.5Confident79.8Confident87 Ų8794.3 Ų94.333%0.32853%0.53SS..Hα-helixtrans-81.3-34.3-176.4-172169.8178.9140.95.9113.6Y58 V59Y58-R62 VanDerWaalsContact O-CB 3.22Å; Y58-R62 WeakPolarHBondContact O-CB 3.22Å; Y58-R62 PolarHBondContact O-N 3.26Å; Y58-R62 PolarHBondContact OH-NH1 3.04Å; V59-R62 PolarHBondContact O-N 3.44Å
63Y79.8Confident79.4Confident118 Ų11898 Ų9846%0.46352%0.522SS..  trans-124.447.6-175.4-55.3-75.1000111.4V59 E65 S66 C67V59-Y63 HydrophobicContact CG1-CD2 4.24Å; V59-Y63 WeakPolarHBondContact O-CA 3.49Å; V59-Y63 WeakPolarHBondContact O-CB 3.16Å; V59-Y63 PolarHBondContact O-N 3.23Å; Y63-E65 PolarHBondContact O-N 3.17Å; Y63-E65 VanDerWaalsContact O-N 3.15Å; Y63-S66 WeakPolarHBondContact O-CA 3.12Å; Y63-S66 PolarHBondContact O-N 2.85Å; Y63-C67 PolarHBondContact O-N 3.47Å; Y63-C67 VanDerWaalsContact O-N 3.12Å
64V82.4Confident79Confident81 Ų8199.7 Ų99.749%0.49152%0.517SS..Hα-helixtrans-45.2-50.1-179.2-178.40000111.3N60 C61 S66 C67 K68N60-V64 VanDerWaalsContact O-CA 3.26Å; N60-V64 WeakPolarHBondContact O-CA 3.32Å; N60-V64 WeakPolarHBondContact O-CG2 3.48Å; N60-V64 PolarHBondContact O-N 3.09Å; C61-V64 WeakPolarHBondContact O-CG2 3.34Å; V64-S66 VanDerWaalsContact C-N 3.29Å; V64-S66 PolarHBondContact O-N 2.97Å; V64-C67 PolarHBondContact O-N 3.44Å; V64-C67 VanDerWaalsContact O-N 3.09Å; V64-K68 PolarHBondContact O-N 2.85Å; V64-K68 VanDerWaalsContact O-N 3.16Å
65E77.4Confident78.7Confident133 Ų133105.2 Ų105.262%0.62154%0.539SS*.Hα-helixtrans-61.2-33.2-179.1-64.8-57.1130.600113.8Y63 C67 K68Y63-E65 PolarHBondContact O-N 3.17Å; Y63-E65 VanDerWaalsContact O-N 3.15Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-K68 VanDerWaalsContact OE1-CE 3.22Å; E65-K68 WeakPolarHBondContact OE1-CE 3.48Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 2.94Å; E65-K68 WeakPolarHBondContact OE2-CE 3.45Å; E65-K68 IonicContact OE2-NZ 2.67Å; E65-K68 PolarHBondContact OE2-NZ 3.34Å
66S72.7Confident78.5Confident79 Ų79112.2 Ų112.255%0.55256%0.562SS**Hα-helixtrans-83.3-14.5178.8-58.50000113.4Y63 V64Y63-S66 WeakPolarHBondContact O-CA 3.12Å; Y63-S66 PolarHBondContact O-N 2.85Å; V64-S66 VanDerWaalsContact C-N 3.29Å; V64-S66 PolarHBondContact O-N 2.97Å
67C72.9Confident78.3Confident41 Ų41109.1 Ų109.128%0.27756%0.559SS.*Hα-helixtrans-104.20.5-179.7-66.10000113.1N60 Y63 V64 E65N60-C67 VanDerWaalsContact OD1-CB 3.28Å; N60-C67 WeakPolarHBondContact OD1-CB 3.3Å; N60-C67 PolarHBondContact OD1-SG 3.41Å; Y63-C67 PolarHBondContact O-N 3.47Å; Y63-C67 VanDerWaalsContact O-N 3.12Å; V64-C67 PolarHBondContact O-N 3.44Å; V64-C67 VanDerWaalsContact O-N 3.09Å; E65-C67 VanDerWaalsContact C-N 3.35Å
68K78.8Confident78.3Confident95 Ų95111.7 Ų111.741%0.41357%0.568SS.*SBendtrans-59.2143168.5-69.6-178.9179.5171.40109.7V64 E65 N70V64-K68 PolarHBondContact O-N 2.85Å; V64-K68 VanDerWaalsContact O-N 3.16Å; E65-K68 VanDerWaalsContact OE1-CE 3.22Å; E65-K68 WeakPolarHBondContact OE1-CE 3.48Å; E65-K68 IonicContact OE1-NZ 2.67Å; E65-K68 PolarHBondContact OE1-NZ 2.94Å; E65-K68 WeakPolarHBondContact OE2-CE 3.45Å; E65-K68 IonicContact OE2-NZ 2.67Å; E65-K68 PolarHBondContact OE2-NZ 3.34Å; K68-N70 HydrophobicContact CB-CB 4.47Å; K68-N70 PolarHBondContact O-N 2.91Å
69E77.7Confident78.3Confident201 Ų201114.4 Ų114.494%0.93960%0.6SS**SBendtrans-69.8-8.8176-62.2-174.8168.200113
70N78Confident78.5Confident129 Ų129116.5 Ų116.569%0.6962%0.617SS**SBendtrans-71.6158.2178.7-60.9-26.1000111.7K68 G72K68-N70 HydrophobicContact CB-CB 4.47Å; K68-N70 PolarHBondContact O-N 2.91Å; N70-G72 PolarHBondContact O-N 2.98Å
71L75.2Confident78.6Confident129 Ų129121.9 Ų121.968%0.67565%0.645SS**PPolyproline II helixtrans-58.9131.7170-88.9109.3000110.6V115 V117L71-V115 HydrophobicContact CB-CG1 4.45Å; L71-V115 HydrophobicContact CD1-CG1 4.1Å; L71-V117 HydrophobicContact CD2-CG2 4.16Å
72G76Confident79Confident79 Ų79123 Ų12381%0.81465%0.653SS**PPolyproline II helixtrans-69.9139.3173.100000111.3N70N70-G72 PolarHBondContact O-N 2.98Å
73Y72.1Confident79.2Confident185 Ų185125.6 Ų125.673%0.72567%0.672SS**PPolyproline II helixtrans-102.8117.9174.4-177.7-113.4000110.1K75Y73-K75 HydrophobicContact CD1-CD 4.38Å; Y73-K75 HydrophobicContact CD1-CG 3.52Å; Y73-K75 HydrophobicContact CE1-CB 4.48Å; Y73-K75 HydrophobicContact CE1-CD 4.43Å; Y73-K75 HydrophobicContact CE1-CG 3.55Å
74F76.3Confident79.8Confident139 Ų139126.8 Ų126.861%0.6168%0.682SS**  trans-92.9103.6179.2-162.9-89.7000110F76 A77F74-F76 HydrophobicContact CE1-CB 3.95Å; F74-F76 HydrophobicContact CZ-CB 4.44Å; F74-F76 PolarHBondContact O-N 3.43Å; F74-A77 HydrophobicContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-N 3.27Å; F74-A77 HydrophobicContact CE1-CB 3.27Å; F74-A77 VanDerWaalsContact CE1-N 3.26Å; F74-A77 HydrophobicContact CZ-CB 4.45Å
75K78.3Confident80.2Confident157 Ų157129.8 Ų129.868%0.68370%0.703SS**THydrogen-bonded Turntrans-73.7-23.6-174-66.4-172.7174.6-170.50114.7Y73Y73-K75 HydrophobicContact CD1-CD 4.38Å; Y73-K75 HydrophobicContact CD1-CG 3.52Å; Y73-K75 HydrophobicContact CE1-CB 4.48Å; Y73-K75 HydrophobicContact CE1-CD 4.43Å; Y73-K75 HydrophobicContact CE1-CG 3.55Å
76F77.4Confident80.8Confident187 Ų187129 Ų12982%0.8270%0.703SS**THydrogen-bonded Turntrans-106.5-1-162-56.5-70.4000114.8F74F74-F76 HydrophobicContact CE1-CB 3.95Å; F74-F76 HydrophobicContact CZ-CB 4.44Å; F74-F76 PolarHBondContact O-N 3.43Å
77A78.8Confident81.7Confident67 Ų67127.8 Ų127.855%0.55470%0.698SS**  trans-126.4132.4177.600000110.3F74F74-A77 HydrophobicContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-CB 3.42Å; F74-A77 VanDerWaalsContact CD1-N 3.27Å; F74-A77 HydrophobicContact CE1-CB 3.27Å; F74-A77 VanDerWaalsContact CE1-N 3.26Å; F74-A77 HydrophobicContact CZ-CB 4.45Å
78K83.3Confident82.3Confident185 Ų185136 Ų13680%0.80472%0.723SS**  trans-107.8125.4166.3-172.3172.6-178174.50107.6
79A81.5Confident82.6Confident101 Ų101135.4 Ų135.484%0.83573%0.728SS**  trans-82.8131.1169.400000108.8
80S86.2Confident82.9Confident95 Ų95130.9 Ų130.966%0.66471%0.714SS**  trans-120.4136.3172.1-62.50000108.5
81L84.6Confident83.2Confident166 Ų166131.5 Ų131.587%0.86971%0.711SS**PPolyproline II helixtrans-104120.1174.4-68.1171.6000108.7
82C87.4Confident83.7Confident130 Ų130134.8 Ų134.888%0.87872%0.715SS**PPolyproline II helixtrans-91.1117.1172.9-61.10000108.9
83L87.5Confident84Confident140 Ų140136.7 Ų136.773%0.73371%0.713SS**PPolyproline II helixtrans-87.3154.6176.4-58.9179.7000110.3A87L83-A87 HydrophobicContact CB-CB 4Å
84Q91.3Very high84.6Confident144 Ų144136.4 Ų136.467%0.67372%0.715SS**PPolyproline II helixtrans-62.7146167.5-65.8-179.5-10.400109.2D86 A87Q84-D86 VanDerWaalsContact CB-OD1 3.26Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.22Å; Q84-D86 PolarHBondContact O-N 3.13Å; Q84-D86 VanDerWaalsContact O-N 3.09Å; Q84-A87 HydrophobicContact CB-CB 4.39Å; Q84-A87 WeakPolarHBondContact O-CB 3.44Å; Q84-A87 PolarHBondContact O-N 3.48Å
85P90.3Very high84.9Confident144 Ų144140.1 Ų140.194%0.93573%0.725SS**THydrogen-bonded Turntrans-58.3-24.7-177.1-25.334.4000114.5
86D91.3Very high85Confident117 Ų117141.1 Ų141.163%0.62674%0.737SS**THydrogen-bonded Turntrans-97.71.3179.264.7-35.8000113.6Q84 R88Q84-D86 VanDerWaalsContact CB-OD1 3.26Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.22Å; Q84-D86 PolarHBondContact O-N 3.13Å; Q84-D86 VanDerWaalsContact O-N 3.09Å; D86-R88 PolarHBondContact O-N 3.36Å
87A90Very high84.8Confident52 Ų52134.6 Ų134.643%0.4372%0.718SS.*  trans-64.8132.2178.400000110.9L83 Q84L83-A87 HydrophobicContact CB-CB 4Å; Q84-A87 HydrophobicContact CB-CB 4.39Å; Q84-A87 WeakPolarHBondContact O-CB 3.44Å; Q84-A87 PolarHBondContact O-N 3.48Å
88R86.4Confident84.9Confident214 Ų214141.2 Ų141.281%0.80873%0.729SS**  trans-116.7145.5176.9-62.1-176.8-174.9-170.2-0.1110.4D86 V90D86-R88 PolarHBondContact O-N 3.36Å; R88-V90 PolarHBondContact O-N 3.15Å
89P84.5Confident84.4Confident82 Ų82143 Ų14353%0.53273%0.732SS.*  trans-61.3130.4172.326.1-32.9000109.7F91P89-F91 HydrophobicContact CB-CE2 3.9Å; P89-F91 HydrophobicContact CB-CZ 4.17Å; P89-F91 HydrophobicContact CG-CE2 4.12Å
90V85.4Confident84Confident106 Ų106141.7 Ų141.764%0.64272%0.721SS**  trans-109104.2177.6-1780000108.8R88 R92R88-V90 PolarHBondContact O-N 3.15Å; V90-R92 HydrophobicContact CG1-CG 3.98Å
91F83.6Confident83.7Confident142 Ų142142.5 Ų142.562%0.62371%0.713SS**  trans-82.5121.9173.5-61.1-82.1000109.6P89 Y123P89-F91 HydrophobicContact CB-CE2 3.9Å; P89-F91 HydrophobicContact CB-CZ 4.17Å; P89-F91 HydrophobicContact CG-CE2 4.12Å; F91-Y123 HydrophobicContact CE1-CD1 4.47Å; F91-Y123 HydrophobicContact CE1-CG 4.47Å
92R85.5Confident83.5Confident198 Ų198136 Ų13675%0.74768%0.683SS**  trans-116.3137.5176.3-61.1-169.1-177.7-160.51.5109.3V90V90-R92 HydrophobicContact CG1-CG 3.98Å
93P83.6Confident83.4Confident120 Ų120133.5 Ų133.578%0.77967%0.667SS**PPolyproline II helixtrans-54.3144.6171.8-24.733.8000111.4R95P93-R95 PolarHBondContact O-N 3.27Å
94K83.1Confident83.4Confident178 Ų178131.5 Ų131.577%0.77466%0.656SS**PPolyproline II helixtrans-56.3126.5174.6-173.6177.5179.4-177.90108.8L96K94-L96 PolarHBondContact O-N 3.41Å
95R84.1Confident83.1Confident217 Ų217129 Ų12982%0.81965%0.647SS**PPolyproline II helixtrans-65.9131.6173.2-69.5-177.8178.6176-1.5108.6P93 A97P93-R95 PolarHBondContact O-N 3.27Å; R95-A97 PolarHBondContact O-N 3.12Å; R95-A97 VanDerWaalsContact O-N 3.1Å
96L79.4Confident83Confident179 Ų179126.6 Ų126.694%0.93762%0.623SS**  trans-64.7112.7171.1-66174.3000108.5K94K94-L96 PolarHBondContact O-N 3.41Å
97A74.3Confident82.9Confident50 Ų50124 Ų12441%0.41362%0.618SS.*  trans-69.9148.2166.700000108.8R95 Y99 L105R95-A97 PolarHBondContact O-N 3.12Å; R95-A97 VanDerWaalsContact O-N 3.1Å; A97-Y99 PolarHBondContact O-N 3.18Å; A97-L105 HydrophobicContact CB-CD1 3.78Å
98R80.6Confident82.9Confident206 Ų206127 Ų12778%0.77762%0.623SS**  trans-59.4133.4168-69.4-178.8178.7-178-0.7107.8A100 F101R98-A100 PolarHBondContact O-N 3.29Å; R98-F101 HydrophobicContact CB-CD2 4.09Å; R98-F101 PolarHBondContact O-N 3.09Å
99Y72.4Confident82.9Confident221 Ų221122.3 Ų122.387%0.86761%0.605SS**Hα-helixtrans-46.4-38.5-173.7-173.4-94000113.7A97 F101 A102A97-Y99 PolarHBondContact O-N 3.18Å; Y99-F101 PolarHBondContact O-N 2.97Å; Y99-F101 VanDerWaalsContact O-N 3.1Å; Y99-A102 PolarHBondContact O-N 3.39Å
100A72.7Confident83.2Confident74 Ų74122.1 Ų122.161%0.61260%0.6SS**Hα-helixtrans-59.4-20.6178.500000115.4R98R98-A100 PolarHBondContact O-N 3.29Å
101F80.7Confident83.5Confident112 Ų112120.8 Ų120.849%0.49159%0.594SS.*Hα-helixtrans-108.6-6.5-179.2-61.2-79.5000113.5R98 Y99 S103 I104 L105R98-F101 HydrophobicContact CB-CD2 4.09Å; R98-F101 PolarHBondContact O-N 3.09Å; Y99-F101 PolarHBondContact O-N 2.97Å; Y99-F101 VanDerWaalsContact O-N 3.1Å; F101-S103 PolarHBondContact O-N 2.89Å; F101-I104 HydrophobicContact CD1-CD1 4.34Å; F101-I104 PolarHBondContact O-N 3.5Å; F101-L105 HydrophobicContact CB-CD1 4.41Å; F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 VanDerWaalsContact O-CG 3.29Å; F101-L105 WeakPolarHBondContact O-CG 3.33Å; F101-L105 PolarHBondContact O-N 3Å
102A80.4Confident83.6Confident31 Ų31116.8 Ų116.826%0.25658%0.579SS.*Hα-helixtrans-58.9-48.6-175.100000111.4Y99 I104 L105 E106Y99-A102 PolarHBondContact O-N 3.39Å; A102-I104 PolarHBondContact O-N 3.15Å; A102-L105 PolarHBondContact O-N 3.45Å; A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 2.89Å
103S83.9Confident83.9Confident77 Ų77110.3 Ų110.354%0.53856%0.557SS.*Hα-helixtrans-64.2-36.6178.954.50000113.5F101 A107F101-S103 PolarHBondContact O-N 2.89Å; S103-A107 VanDerWaalsContact O-CB 3.27Å; S103-A107 WeakPolarHBondContact O-CB 3.34Å; S103-A107 PolarHBondContact O-N 3.14Å
104I87.7Confident84.1Confident98 Ų98113.7 Ų113.750%0.50356%0.559SS.*Hα-helixtrans-67.7-45.6178.2-61.2172.8000110F101 A102 E106 A107 E108F101-I104 HydrophobicContact CD1-CD1 4.34Å; F101-I104 PolarHBondContact O-N 3.5Å; A102-I104 PolarHBondContact O-N 3.15Å; I104-E106 VanDerWaalsContact C-N 3.35Å; I104-A107 PolarHBondContact O-N 2.92Å; I104-E108 WeakPolarHBondContact O-CB 3.44Å; I104-E108 PolarHBondContact O-N 3.33Å
105L85.9Confident84.3Confident91 Ų91109.2 Ų109.248%0.47655%0.547SS..Hα-helixtrans-65.6-38.9178.8-68.9172.6000111.9A97 F101 A102 R109A97-L105 HydrophobicContact CB-CD1 3.78Å; F101-L105 HydrophobicContact CB-CD1 4.41Å; F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 VanDerWaalsContact O-CG 3.29Å; F101-L105 WeakPolarHBondContact O-CG 3.33Å; F101-L105 PolarHBondContact O-N 3Å; A102-L105 PolarHBondContact O-N 3.45Å; L105-R109 WeakPolarHBondContact O-CB 3.47Å; L105-R109 PolarHBondContact O-N 3.3Å
106E87.3Confident84.4Confident94 Ų94101.8 Ų101.844%0.43954%0.537SS..Hα-helixtrans-66.7-45.2175.5-74.1172.7173.100111.3A102 I104 E108 R109 D110A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 2.89Å; I104-E106 VanDerWaalsContact C-N 3.35Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 3.48Å; E106-R109 WeakPolarHBondContact O-CB 3.37Å; E106-R109 PolarHBondContact O-N 2.85Å; E106-D110 WeakPolarHBondContact O-CB 3.38Å; E106-D110 PolarHBondContact O-N 3.12Å
107A90Very high84.7Confident61 Ų6197.2 Ų97.250%0.50452%0.517SS..Hα-helixtrans-62.3-39.4175.800000112.8S103 I104 C111S103-A107 VanDerWaalsContact O-CB 3.27Å; S103-A107 WeakPolarHBondContact O-CB 3.34Å; S103-A107 PolarHBondContact O-N 3.14Å; I104-A107 PolarHBondContact O-N 2.92Å; A107-C111 WeakPolarHBondContact O-CB 3.27Å; A107-C111 PolarHBondContact O-N 3.4Å
108E89.1Confident85.3Confident115 Ų11598.5 Ų98.554%0.53752%0.516SS..Hα-helixtrans-65.8-44.9174.9-176.7170.7-164.800111.2I104 E106 D110 C111 I112I104-E108 WeakPolarHBondContact O-CB 3.44Å; I104-E108 PolarHBondContact O-N 3.33Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 3.48Å; E108-D110 PolarHBondContact O-N 2.92Å; E108-C111 WeakPolarHBondContact O-CB 3.45Å; E108-C111 PolarHBondContact O-N 2.92Å; E108-I112 HydrophobicContact CG-CD1 3.83Å; E108-I112 HydrophobicContact CG-CG1 4.49Å; E108-I112 VanDerWaalsContact O-CG1 3.22Å; E108-I112 WeakPolarHBondContact O-CG1 3.41Å; E108-I112 PolarHBondContact O-N 2.95Å
109R87.9Confident85.6Confident117 Ų11792.7 Ų92.744%0.44251%0.507SS..Hα-helixtrans-56.8-49.9174.8-176.4-16070175-0.2111.2L105 E106 C111 I112 Q113 I118L105-R109 WeakPolarHBondContact O-CB 3.47Å; L105-R109 PolarHBondContact O-N 3.3Å; E106-R109 WeakPolarHBondContact O-CB 3.37Å; E106-R109 PolarHBondContact O-N 2.85Å; R109-C111 VanDerWaalsContact C-N 3.29Å; R109-C111 PolarHBondContact O-N 3.26Å; R109-I112 PolarHBondContact O-N 3.42Å; R109-Q113 WeakPolarHBondContact O-CB 3.43Å; R109-Q113 PolarHBondContact O-N 3.31Å; R109-I118 HydrophobicContact CG-CD1 3.96Å
110D90.9Very high86.3Confident78 Ų7889 Ų8942%0.41750%0.498SS..Hα-helixtrans-64.1-36.3-177.8-66.3-6.6000111.3E106 E108 K114E106-D110 WeakPolarHBondContact O-CB 3.38Å; E106-D110 PolarHBondContact O-N 3.12Å; E108-D110 PolarHBondContact O-N 2.92Å; D110-K114 VanDerWaalsContact O-CB 3.27Å; D110-K114 WeakPolarHBondContact O-CB 3.49Å; D110-K114 PolarHBondContact O-N 3.42Å
111C89.9Confident86.8Confident78 Ų7887.3 Ų87.353%0.52748%0.48SS..Hα-helixtrans-62.1-48.1172.7-174.10000111.7A107 E108 R109 Q113 K114 V115A107-C111 WeakPolarHBondContact O-CB 3.27Å; A107-C111 PolarHBondContact O-N 3.4Å; E108-C111 WeakPolarHBondContact O-CB 3.45Å; E108-C111 PolarHBondContact O-N 2.92Å; R109-C111 VanDerWaalsContact C-N 3.29Å; R109-C111 PolarHBondContact O-N 3.26Å; C111-Q113 VanDerWaalsContact C-N 3.34Å; C111-Q113 PolarHBondContact O-N 3.42Å; C111-K114 PolarHBondContact O-N 2.95Å; C111-V115 VanDerWaalsContact O-CG2 3.32Å; C111-V115 WeakPolarHBondContact O-CG2 3.49Å; C111-V115 PolarHBondContact O-N 3.25Å
112I87.2Confident86.5Confident58 Ų5888.4 Ų88.430%0.29749%0.491SS..Hα-helixtrans-65-38.4-179.7-65.5169.1000111.1E108 R109 V115 G116 V117 I118E108-I112 HydrophobicContact CG-CD1 3.83Å; E108-I112 HydrophobicContact CG-CG1 4.49Å; E108-I112 VanDerWaalsContact O-CG1 3.22Å; E108-I112 WeakPolarHBondContact O-CG1 3.41Å; E108-I112 PolarHBondContact O-N 2.95Å; R109-I112 PolarHBondContact O-N 3.42Å; I112-V115 PolarHBondContact O-N 2.97Å; I112-G116 PolarHBondContact O-N 3.09Å; I112-V117 HydrophobicContact CG2-CB 3.58Å; I112-V117 HydrophobicContact CG2-CG1 3.74Å; I112-V117 HydrophobicContact CG2-CG2 4.49Å; I112-V117 PolarHBondContact O-N 2.91Å; I112-V117 VanDerWaalsContact O-N 3.09Å; I112-I118 HydrophobicContact CB-CD1 4.32Å; I112-I118 HydrophobicContact CB-CG1 4.48Å; I112-I118 HydrophobicContact CG2-CB 4.38Å; I112-I118 HydrophobicContact CG2-CD1 3.99Å; I112-I118 HydrophobicContact CG2-CG1 3.88Å; I112-I118 HydrophobicContact CG2-CG2 3.87Å
113Q90.2Very high85.8Confident62 Ų6293.9 Ų93.929%0.2951%0.506SS..Hα-helixtrans-66.5-42.6174.9-172.7172.2-2.300111.3R109 C111 V115 G116 I118 E120R109-Q113 WeakPolarHBondContact O-CB 3.43Å; R109-Q113 PolarHBondContact O-N 3.31Å; C111-Q113 VanDerWaalsContact C-N 3.34Å; C111-Q113 PolarHBondContact O-N 3.42Å; Q113-V115 VanDerWaalsContact C-N 3.3Å; Q113-V115 PolarHBondContact O-N 2.93Å; Q113-G116 WeakPolarHBondContact O-CA 3.29Å; Q113-G116 PolarHBondContact O-N 3.47Å; Q113-I118 HydrophobicContact CB-CD1 4.38Å; Q113-I118 HydrophobicContact CB-CG1 3.95Å; Q113-E120 PolarHBondContact NE2-OE1 3.2Å; Q113-E120 VanDerWaalsContact NE2-OE1 3.09Å
114K89.6Confident84.7Confident191 Ų19195.6 Ų95.683%0.8351%0.509SS*.Hα-helixtrans-63.1-33.5175.9-174.7178.5-179.9-179.50113.1D110 C111 G116D110-K114 VanDerWaalsContact O-CB 3.27Å; D110-K114 WeakPolarHBondContact O-CB 3.49Å; D110-K114 PolarHBondContact O-N 3.42Å; C111-K114 PolarHBondContact O-N 2.95Å; K114-G116 PolarHBondContact O-N 3.33Å
115V85.9Confident83.1Confident83 Ų8396.2 Ų96.250%0.50352%0.522SS..THydrogen-bonded Turntrans-76.2-12.4174.3-179.80000111.9L71 C111 I112 Q113 V117L71-V115 HydrophobicContact CB-CG1 4.45Å; L71-V115 HydrophobicContact CD1-CG1 4.1Å; C111-V115 VanDerWaalsContact O-CG2 3.32Å; C111-V115 WeakPolarHBondContact O-CG2 3.49Å; C111-V115 PolarHBondContact O-N 3.25Å; I112-V115 PolarHBondContact O-N 2.97Å; Q113-V115 VanDerWaalsContact C-N 3.3Å; Q113-V115 PolarHBondContact O-N 2.93Å; V115-V117 HydrophobicContact CB-CG2 4.41Å; V115-V117 HydrophobicContact CG1-CG2 4.05Å
116G86.3Confident81.5Confident61 Ų6194.3 Ų94.363%0.62953%0.525SS*.THydrogen-bonded Turntrans81.417.3179.200000114.2I112 Q113 K114I112-G116 PolarHBondContact O-N 3.09Å; Q113-G116 WeakPolarHBondContact O-CA 3.29Å; Q113-G116 PolarHBondContact O-N 3.47Å; K114-G116 PolarHBondContact O-N 3.33Å
117V86Confident79.5Confident83 Ų8394 Ų9450%0.50353%0.531SS..SBendtrans-75.4-31.8176.8172.60000111.2L71 I112 V115L71-V117 HydrophobicContact CD2-CG2 4.16Å; I112-V117 HydrophobicContact CG2-CB 3.58Å; I112-V117 HydrophobicContact CG2-CG1 3.74Å; I112-V117 HydrophobicContact CG2-CG2 4.49Å; I112-V117 PolarHBondContact O-N 2.91Å; I112-V117 VanDerWaalsContact O-N 3.09Å; V115-V117 HydrophobicContact CB-CG2 4.41Å; V115-V117 HydrophobicContact CG1-CG2 4.05Å
118I87.4Confident77.8Confident77 Ų7797 Ų9740%0.39554%0.538SS..SBendtrans-127.1150.3173.866.8-178.1000109.7R109 I112 Q113R109-I118 HydrophobicContact CG-CD1 3.96Å; I112-I118 HydrophobicContact CB-CD1 4.32Å; I112-I118 HydrophobicContact CB-CG1 4.48Å; I112-I118 HydrophobicContact CG2-CB 4.38Å; I112-I118 HydrophobicContact CG2-CD1 3.99Å; I112-I118 HydrophobicContact CG2-CG1 3.88Å; I112-I118 HydrophobicContact CG2-CG2 3.87Å; Q113-I118 HydrophobicContact CB-CD1 4.38Å; Q113-I118 HydrophobicContact CB-CG1 3.95Å
119S87.3Confident75.7Confident85 Ų8596.6 Ų96.659%0.59454%0.538SS*.  trans-126.4154.6171.862.10000109.7
120E86.4Confident73.6Confident143 Ų14393.3 Ų93.367%0.66854%0.541SS*.  trans-65.4143.5166.6-76.4172.2-157.600109.6Q113Q113-E120 PolarHBondContact NE2-OE1 3.2Å; Q113-E120 VanDerWaalsContact NE2-OE1 3.09Å
121V82.3Confident71Confident39 Ų3993.6 Ų93.624%0.23655%0.549CS..  trans-137.1127.1179.61790000107.3Y123 I128V121-Y123 HydrophobicContact CB-CE2 4.42Å; V121-Y123 HydrophobicContact CG1-CE1 4.36Å; V121-Y123 WeakPolarHBondContact O-CD2 3.18Å; V121-Y123 WeakPolarHBondContact O-CE2 3.26Å; V121-I128 HydrophobicContact CG1-CG2 3.7Å
122D75.6Confident68.4Low135 Ų13595 Ų9572%0.72256%0.56SS**  trans-79.7133.4169.8-67.9-37.5000109.4
123Y65.2Low66Low146 Ų146100.2 Ų100.257%0.57358%0.583SS**EExtended strand (participates in β ladder)trans-107.9119174.5-59-86.2000107.7F91 V121 I128F91-Y123 HydrophobicContact CE1-CD1 4.47Å; F91-Y123 HydrophobicContact CE1-CG 4.47Å; V121-Y123 HydrophobicContact CB-CE2 4.42Å; V121-Y123 HydrophobicContact CG1-CE1 4.36Å; V121-Y123 WeakPolarHBondContact O-CD2 3.18Å; V121-Y123 WeakPolarHBondContact O-CE2 3.26Å; Y123-I128 HydrophobicContact CD1-CG1 4.27Å; Y123-I128 HydrophobicContact CE1-CD1 4.46Å; Y123-I128 HydrophobicContact CE1-CG1 3.97Å
124D61.6Low63.1Low112 Ų112106.1 Ų106.160%0.59961%0.61SS**EExtended strand (participates in β ladder)trans-118.3136.1164.3-160.75.2000109.1G126 C127 I129D124-G126 PolarHBondContact O-N 3.1Å; D124-C127 PolarHBondContact O-N 2.97Å; D124-I129 HydrophobicContact CB-CD1 4.47Å
125S53Low60.5Low112 Ų112102.3 Ų102.378%0.78360%0.603SS**THydrogen-bonded Turntrans16.265.9177.8640000116.8C127S125-C127 PolarHBondContact O-N 3.33Å
126G52.2Low57.9Low51 Ų51109.7 Ų109.753%0.52664%0.638SS.*THydrogen-bonded Turntrans82.83.5170.800000117D124D124-G126 PolarHBondContact O-N 3.1Å
127C46.5Very low56.5Low86 Ų86112.1 Ų112.158%0.58164%0.639SS**EExtended strand (participates in β ladder)trans-113.7128.3174.2-64.30000110.8D124 S125 I129D124-C127 PolarHBondContact O-N 2.97Å; S125-C127 PolarHBondContact O-N 3.33Å; C127-I129 PolarHBondContact O-N 2.87Å
128I52.8Low54.9Low124 Ų124113.6 Ų113.664%0.63665%0.646SS**EExtended strand (participates in β ladder)trans-76.1107166.4-59.2-175.7000105.9V121 Y123 G130V121-I128 HydrophobicContact CG1-CG2 3.7Å; Y123-I128 HydrophobicContact CD1-CG1 4.27Å; Y123-I128 HydrophobicContact CE1-CD1 4.46Å; Y123-I128 HydrophobicContact CE1-CG1 3.97Å; I128-G130 PolarHBondContact O-N 3.1Å
129I46.4Very low53.1Low107 Ų107115.7 Ų115.755%0.54966%0.66SS.*  trans-77.681.3171.7-55175000106.4D124 C127 S131D124-I129 HydrophobicContact CB-CD1 4.47Å; C127-I129 PolarHBondContact O-N 2.87Å; I129-S131 PolarHBondContact O-N 3.34Å; I129-S131 VanDerWaalsContact O-N 3.17Å
130G42.9Very low51.1Low48 Ų48117.5 Ų117.550%0.49566%0.663SS.*  trans-71.7106.8173.700000109I128 S132I128-G130 PolarHBondContact O-N 3.1Å; G130-S132 PolarHBondContact O-N 3.25Å
131S35.8Very low48.9Very low84 Ų84115.9 Ų115.959%0.58766%0.663SS**  trans-63.988.7157.751.30000107.4I129 Q133I129-S131 PolarHBondContact O-N 3.34Å; I129-S131 VanDerWaalsContact O-N 3.17Å; S131-Q133 PolarHBondContact O-N 3.44Å
132S36Very low46.7Very low108 Ų108121 Ų12176%0.75569%0.692SS**  trans-61.394.2163.3-75.40000107.2G130 E134G130-S132 PolarHBondContact O-N 3.25Å; S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 2.96Å
133Q37.4Very low44.6Very low167 Ų167120 Ų12078%0.7869%0.689SS**  trans-69.197.1156.8-73.9-169.4-15.900106.4S131 V135S131-Q133 PolarHBondContact O-N 3.44Å; Q133-V135 VanDerWaalsContact C-N 3.32Å; Q133-V135 HydrophobicContact CB-CG2 4.3Å; Q133-V135 PolarHBondContact O-N 3.42Å; Q133-V135 VanDerWaalsContact O-N 3.09Å
134E29.5Very low43Very low186 Ų186118 Ų11887%0.86970%0.698SS**  trans-61100.5153.1-71.3-174.8151.500106.6S132S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 2.96Å
135V35.2Very low41.5Very low112 Ų112118.5 Ų118.568%0.67971%0.707SS**  trans-89.4108.7165.4-177.50000106.2Q133Q133-V135 VanDerWaalsContact C-N 3.32Å; Q133-V135 HydrophobicContact CB-CG2 4.3Å; Q133-V135 PolarHBondContact O-N 3.42Å; Q133-V135 VanDerWaalsContact O-N 3.09Å
136L30.2Very low40.4Very low237 Ų237119.1 Ų119.1100%1.24170%0.7SS**  trans-50.70167.5-89.5147.4000112.4

Retrieved 136 of 136 residues in 93.3 ms (Link to these results)