G4VAQ2_SCHMA Loading...

Thymosin beta

AlphaFold DB , UniProt , Accession G4VAQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 79 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
1M51Low75.5Confident236 Ų236116 Ų116100%1.16366%0.662SS**  020.70-73.5171.1165.700112.7D3M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.26Å
2A59.8Low76Confident103 Ų103118.4 Ų118.485%0.85167%0.672SS**THydrogen-bonded Turntrans-80.4-2-166.600000115.6
3D66.3Low76.4Confident109 Ų109116 Ų11658%0.58367%0.667SS**THydrogen-bonded Turntrans-115-8.7-169.2-151.378.8000114.1M1 V7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.26Å; D3-V7 VanDerWaalsContact O-CG2 3.29Å; D3-V7 WeakPolarHBondContact O-CG2 3.47Å; D3-V7 PolarHBondContact O-N 3.05Å
4A74.8Confident76.9Confident76 Ų76114.9 Ų114.963%0.62865%0.651SS**Hα-helixtrans-70.6-39.218000000112.5L8A4-L8 PolarHBondContact O-N 3.3Å
5G82.1Confident76.9Confident53 Ų53112.1 Ų112.155%0.54663%0.633SS.*Hα-helixtrans-67.5-38.4-179.300000112.7L8 E9G5-L8 PolarHBondContact O-N 3.33Å; G5-E9 PolarHBondContact O-N 3.38Å
6K81.2Confident76.8Confident148 Ų148114.8 Ų114.864%0.64364%0.636SS**Hα-helixtrans-68.9-40.5-180-158.3174.2-176.9-159.20111.9L8 E9 D10K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.46Å; K6-E9 PolarHBondContact O-N 2.95Å; K6-D10 WeakPolarHBondContact O-CB 3.28Å; K6-D10 PolarHBondContact O-N 3.18Å
7V84Confident76.6Confident72 Ų72118.5 Ų118.544%0.43665%0.647SS.*Hα-helixtrans-61.3-40.5173.5173.40000111.2D3 D10 I11D3-V7 VanDerWaalsContact O-CG2 3.29Å; D3-V7 WeakPolarHBondContact O-CG2 3.47Å; D3-V7 PolarHBondContact O-N 3.05Å; V7-D10 PolarHBondContact O-N 2.95Å; V7-I11 HydrophobicContact CG1-CD1 3.8Å; V7-I11 WeakPolarHBondContact O-CD1 3.41Å; V7-I11 WeakPolarHBondContact O-CG1 3.29Å; V7-I11 PolarHBondContact O-N 3.36Å
8L82.2Confident76.5Confident123 Ų123121.3 Ų121.364%0.64465%0.652SS**Hα-helixtrans-66-42.5178.8-170.464.9000112.1A4 G5 K6 I11 D12A4-L8 PolarHBondContact O-N 3.3Å; G5-L8 PolarHBondContact O-N 3.33Å; K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.46Å; L8-I11 PolarHBondContact O-N 3.05Å; L8-D12 WeakPolarHBondContact O-CB 3.41Å; L8-D12 PolarHBondContact O-N 3.44Å
9E85.1Confident76.4Confident134 Ų134120.2 Ų120.263%0.62665%0.645SS**Hα-helixtrans-67.3-36.6177-169.7167.3-159.800112.4G5 K6 I11 D12 S13G5-E9 PolarHBondContact O-N 3.38Å; K6-E9 PolarHBondContact O-N 2.95Å; E9-I11 VanDerWaalsContact C-N 3.35Å; E9-D12 PolarHBondContact O-N 2.89Å; E9-S13 WeakPolarHBondContact O-CB 3.21Å; E9-S13 PolarHBondContact O-N 3.41Å; E9-S13 PolarHBondContact O-OG 3.41Å
10D83.3Confident76.2Confident110 Ų110125.6 Ų125.659%0.58866%0.656SS**Hα-helixtrans-64.1-40.6174.7-143-88.3000111.1K6 V7 F14K6-D10 WeakPolarHBondContact O-CB 3.28Å; K6-D10 PolarHBondContact O-N 3.18Å; V7-D10 PolarHBondContact O-N 2.95Å; D10-F14 WeakPolarHBondContact O-CA 3.43Å; D10-F14 VanDerWaalsContact O-CB 3.28Å; D10-F14 WeakPolarHBondContact O-CB 3.21Å; D10-F14 PolarHBondContact O-N 2.86Å
11I80.9Confident75.8Confident112 Ų112129 Ų12957%0.57467%0.668SS**Hα-helixtrans-68.7-41.6176-66.9164000111.7V7 L8 E9 F14V7-I11 HydrophobicContact CG1-CD1 3.8Å; V7-I11 WeakPolarHBondContact O-CD1 3.41Å; V7-I11 WeakPolarHBondContact O-CG1 3.29Å; V7-I11 PolarHBondContact O-N 3.36Å; L8-I11 PolarHBondContact O-N 3.05Å; E9-I11 VanDerWaalsContact C-N 3.35Å; I11-F14 VanDerWaalsContact O-CB 3.28Å; I11-F14 WeakPolarHBondContact O-CB 3.28Å; I11-F14 PolarHBondContact O-N 3.31Å
12D81Confident76.6Confident145 Ų145123.1 Ų123.178%0.77565%0.646SS**Hα-helixtrans-67.8-40.6179.4-165.370.1000111.4L8 E9 F14L8-D12 WeakPolarHBondContact O-CB 3.41Å; L8-D12 PolarHBondContact O-N 3.44Å; E9-D12 PolarHBondContact O-N 2.89Å; D12-F14 VanDerWaalsContact C-N 3.25Å; D12-F14 PolarHBondContact O-N 3.02Å
13S81.5Confident76.6Confident87 Ų87126.1 Ų126.161%0.60864%0.642SS**THydrogen-bonded Turntrans-81.9-1.1176.5-51.50000113.4E9 D15E9-S13 WeakPolarHBondContact O-CB 3.21Å; E9-S13 PolarHBondContact O-N 3.41Å; E9-S13 PolarHBondContact O-OG 3.41Å; S13-D15 PolarHBondContact O-N 2.97Å
14F83.3Confident76.3Confident101 Ų101126.3 Ų126.344%0.44365%0.647SS.*  trans-68.5105.9-176.3-174.2-98.4000110.6D10 I11 D12 K16 L19D10-F14 WeakPolarHBondContact O-CA 3.43Å; D10-F14 VanDerWaalsContact O-CB 3.28Å; D10-F14 WeakPolarHBondContact O-CB 3.21Å; D10-F14 PolarHBondContact O-N 2.86Å; I11-F14 VanDerWaalsContact O-CB 3.28Å; I11-F14 WeakPolarHBondContact O-CB 3.28Å; I11-F14 PolarHBondContact O-N 3.31Å; D12-F14 VanDerWaalsContact C-N 3.25Å; D12-F14 PolarHBondContact O-N 3.02Å; F14-K16 PolarHBondContact O-N 3.21Å; F14-K16 VanDerWaalsContact O-N 3.14Å; F14-L19 HydrophobicContact CE1-CD1 4.18Å; F14-L19 HydrophobicContact CE1-CD2 3.87Å; F14-L19 HydrophobicContact CE1-CG 4Å; F14-L19 HydrophobicContact CZ-CD2 3.74Å; F14-L19 HydrophobicContact CZ-CG 4.3Å
15D77.6Confident75.6Confident73 Ų73129.7 Ų129.739%0.3965%0.65SS.*  trans-73106.1178.6-179.7-123.7000111.4S13 Q17 K18S13-D15 PolarHBondContact O-N 2.97Å; D15-Q17 PolarHBondContact O-N 3.23Å; D15-K18 HydrophobicContact CB-CD 4.46Å; D15-K18 PolarHBondContact O-N 3.01Å; D15-K18 PolarHBondContact OD1-N 3.14Å
16K74.1Confident74.5Confident154 Ų154135 Ų13567%0.6766%0.661SS**G310 helixtrans-64.1-21178.3-53.9-179.3-145.8-65.10112.2F14 K18 L19F14-K16 PolarHBondContact O-N 3.21Å; F14-K16 VanDerWaalsContact O-N 3.14Å; K16-K18 VanDerWaalsContact C-N 3.25Å; K16-K18 PolarHBondContact O-N 3.45Å; K16-L19 HydrophobicContact CB-CD1 4.29Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 WeakPolarHBondContact O-CG 3.16Å; K16-L19 PolarHBondContact O-N 3.41Å
17Q74.3Confident73.4Confident178 Ų178136.1 Ų136.183%0.83267%0.666SS**G310 helixtrans-71-22.2178.9-57.1-152.1-22.300112.9D15 L19D15-Q17 PolarHBondContact O-N 3.23Å; Q17-L19 PolarHBondContact O-N 3.21Å
18K75.5Confident72.1Confident170 Ų170136.3 Ų136.374%0.73967%0.667SS**G310 helixtrans-71.7-13.3167.6-76.3174.9-175.6172.50113.6D15 K16 R20D15-K18 HydrophobicContact CB-CD 4.46Å; D15-K18 PolarHBondContact O-N 3.01Å; D15-K18 PolarHBondContact OD1-N 3.14Å; K16-K18 VanDerWaalsContact C-N 3.25Å; K16-K18 PolarHBondContact O-N 3.45Å; K18-R20 PolarHBondContact O-N 3.08Å; K18-R20 VanDerWaalsContact O-N 3.08Å
19L74.3Confident71Confident99 Ų99135.1 Ų135.152%0.51866%0.664SS.*SBendtrans-66.4112.2169.4-61.8175000107.5F14 K16 Q17 H21F14-L19 HydrophobicContact CE1-CD1 4.18Å; F14-L19 HydrophobicContact CE1-CD2 3.87Å; F14-L19 HydrophobicContact CE1-CG 4Å; F14-L19 HydrophobicContact CZ-CD2 3.74Å; F14-L19 HydrophobicContact CZ-CG 4.3Å; K16-L19 HydrophobicContact CB-CD1 4.29Å; K16-L19 WeakPolarHBondContact O-CB 3.4Å; K16-L19 WeakPolarHBondContact O-CG 3.16Å; K16-L19 PolarHBondContact O-N 3.41Å; Q17-L19 PolarHBondContact O-N 3.21Å; L19-H21 PolarHBondContact O-N 3.44Å
20R72.6Confident70Confident228 Ų228134.7 Ų134.786%0.8667%0.666SS**  trans-58.8139.1168.7-67.8-176.4-70.1-127.2-0.6107.7K18 V22K18-R20 PolarHBondContact O-N 3.08Å; K18-R20 VanDerWaalsContact O-N 3.08Å; R20-V22 VanDerWaalsContact C-N 3.3Å; R20-V22 PolarHBondContact O-N 2.83Å
21H67.6Low69.2Low198 Ų198132.4 Ų132.492%0.91766%0.657SS**  trans-58103.2164.8-73.476.2000106.6L19L19-H21 PolarHBondContact O-N 3.44Å
22V66.9Low68.5Low113 Ų113132 Ų13269%0.68566%0.655SS**  trans-91112.6164.8600000104.2R20 T24R20-V22 VanDerWaalsContact C-N 3.3Å; R20-V22 PolarHBondContact O-N 2.83Å; V22-T24 HydrophobicContact CG1-CG2 4.09Å; V22-T24 PolarHBondContact O-N 2.87Å
23E59.4Low68.3Low165 Ų165133.1 Ų133.177%0.77165%0.653SS**  trans-64.597.5161.7-170.5148.5-142.500104.7E25E23-E25 PolarHBondContact O-N 2.82Å
24T60.6Low68.1Low113 Ų113135 Ų13569%0.69365%0.653SS**  trans-67.288.916750.10000104.5V22 E26V22-T24 HydrophobicContact CG1-CG2 4.09Å; V22-T24 PolarHBondContact O-N 2.87Å; T24-E26 PolarHBondContact O-N 2.75Å
25E60.3Low67.9Low148 Ų148133.3 Ų133.369%0.69265%0.651SS**  trans-55.893.5154.2-69.9-849000103.6E23 K27E23-E25 PolarHBondContact O-N 2.82Å; E25-K27 PolarHBondContact O-N 2.75Å
26E58.9Low68Low164 Ų164134.2 Ų134.277%0.76665%0.654SS**  trans-61.484.5161.6-165.4-173.885.900103T24 V28T24-E26 PolarHBondContact O-N 2.75Å; E26-V28 HydrophobicContact CB-CG2 4.38Å; E26-V28 VanDerWaalsContact CD-CG2 3.48Å; E26-V28 HydrophobicContact CG-CG2 3.52Å; E26-V28 PolarHBondContact O-N 2.66Å; E26-V28 WeakPolarHBondContact OE1-CG2 2.79Å
27K57.5Low68.4Low172 Ų172133 Ų13375%0.74865%0.651SS**  trans-64.870.3153.3-91.5-172.5-178.5-179.60104.3E25 V29E25-K27 PolarHBondContact O-N 2.75Å; K27-V29 HydrophobicContact CB-CG2 3.8Å; K27-V29 HydrophobicContact CD-CG2 4.26Å; K27-V29 HydrophobicContact CG-CG2 4.32Å; K27-V29 PolarHBondContact O-N 2.71Å
28V57.5Low68.8Low76 Ų76131.3 Ų131.346%0.46164%0.641SS.*  -52.888.2129-163.30000102.2E26 L30E26-V28 HydrophobicContact CB-CG2 4.38Å; E26-V28 VanDerWaalsContact CD-CG2 3.48Å; E26-V28 HydrophobicContact CG-CG2 3.52Å; E26-V28 PolarHBondContact O-N 2.66Å; E26-V28 WeakPolarHBondContact OE1-CG2 2.79Å; V28-L30 HydrophobicContact CB-CG 4.2Å; V28-L30 HydrophobicContact CG1-CB 4.47Å; V28-L30 HydrophobicContact CG1-CD2 3.51Å; V28-L30 HydrophobicContact CG1-CG 3.61Å; V28-L30 PolarHBondContact O-N 2.68Å
29V59.3Low69.4Low98 Ų98127.3 Ų127.359%0.59463%0.625SS**  trans-66.675.4158.7-169.90000101.7K27K27-V29 HydrophobicContact CB-CG2 3.8Å; K27-V29 HydrophobicContact CD-CG2 4.26Å; K27-V29 HydrophobicContact CG-CG2 4.32Å; K27-V29 PolarHBondContact O-N 2.71Å
30L64.2Low69.9Low125 Ų125130 Ų13065%0.65463%0.633SS**PPolyproline II helixtrans-48121.2166.8-76.2171.4000102.3V28 N32V28-L30 HydrophobicContact CB-CG 4.2Å; V28-L30 HydrophobicContact CG1-CB 4.47Å; V28-L30 HydrophobicContact CG1-CD2 3.51Å; V28-L30 HydrophobicContact CG1-CG 3.61Å; V28-L30 PolarHBondContact O-N 2.68Å; L30-N32 PolarHBondContact O-N 2.98Å
31P65Low70.6Confident61 Ų61123.9 Ų123.940%0.39662%0.621SS.*PPolyproline II helixtrans-49123.7-174.314.2-26.9000107.2V35 I36P31-V35 HydrophobicContact CB-CB 3.92Å; P31-V35 HydrophobicContact CB-CG1 3.78Å; P31-I36 HydrophobicContact CB-CG1 3.98Å; P31-I36 HydrophobicContact CG-CD1 4.34Å; P31-I36 HydrophobicContact CG-CG1 3.99Å; P31-I36 VanDerWaalsContact O-CD1 3.3Å; P31-I36 WeakPolarHBondContact O-CD1 3.35Å
32N68Low71.4Confident103 Ų103120.4 Ų120.455%0.55161%0.605SS**PPolyproline II helixtrans-53.2154.4-178.6-76.3-37.7000108.7L30 E34 V35 I36L30-N32 PolarHBondContact O-N 2.98Å; N32-E34 PolarHBondContact O-N 3.39Å; N32-V35 HydrophobicContact CB-CG2 4.39Å; N32-V35 WeakPolarHBondContact O-CA 3.2Å; N32-V35 WeakPolarHBondContact O-CB 3.37Å; N32-V35 PolarHBondContact O-N 2.97Å; N32-I36 PolarHBondContact O-N 3.16Å; N32-I36 VanDerWaalsContact O-N 3.11Å
33K75Confident72.4Confident169 Ų169121.1 Ų121.174%0.73560%0.599SS**Hα-helixtrans-47.7-40.8179.3-67.1179.8-179.6-179.70112V35 I36 E37K33-V35 PolarHBondContact O-N 3.03Å; K33-I36 PolarHBondContact O-N 3.11Å; K33-E37 WeakPolarHBondContact O-CB 3.4Å; K33-E37 WeakPolarHBondContact O-CG 3.3Å; K33-E37 PolarHBondContact O-N 2.99Å
34E77.3Confident73.6Confident128 Ų128118.3 Ų118.360%0.59859%0.585SS**Hα-helixtrans-59.6-39174.9-65.9-174.182.500114.3N32 K38N32-E34 PolarHBondContact O-N 3.39Å; E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 WeakPolarHBondContact O-CG 3.28Å; E34-K38 PolarHBondContact O-N 2.77Å
35V79.3Confident74.8Confident65 Ų65117.5 Ų117.539%0.39458%0.576SS.*Hα-helixtrans-68.1-43.8177.5179.60000109.8P31 N32 K33 E37 K38 E39P31-V35 HydrophobicContact CB-CB 3.92Å; P31-V35 HydrophobicContact CB-CG1 3.78Å; N32-V35 HydrophobicContact CB-CG2 4.39Å; N32-V35 WeakPolarHBondContact O-CA 3.2Å; N32-V35 WeakPolarHBondContact O-CB 3.37Å; N32-V35 PolarHBondContact O-N 2.97Å; K33-V35 PolarHBondContact O-N 3.03Å; V35-E37 PolarHBondContact O-N 3.35Å; V35-K38 PolarHBondContact O-N 3.32Å; V35-E39 PolarHBondContact O-N 2.93Å
36I80.7Confident76Confident91 Ų91115.4 Ų115.447%0.46757%0.569SS.*Hα-helixtrans-63-43.5177.5-58.9174.7000110.7P31 N32 K33 E39 K40P31-I36 HydrophobicContact CB-CG1 3.98Å; P31-I36 HydrophobicContact CG-CD1 4.34Å; P31-I36 HydrophobicContact CG-CG1 3.99Å; P31-I36 VanDerWaalsContact O-CD1 3.3Å; P31-I36 WeakPolarHBondContact O-CD1 3.35Å; N32-I36 PolarHBondContact O-N 3.16Å; N32-I36 VanDerWaalsContact O-N 3.11Å; K33-I36 PolarHBondContact O-N 3.11Å; I36-E39 PolarHBondContact O-N 3.27Å; I36-K40 WeakPolarHBondContact O-CB 3.43Å; I36-K40 PolarHBondContact O-N 3.34Å
37E82.3Confident77.2Confident128 Ų128113 Ų11360%0.59856%0.558SS**Hα-helixtrans-64.7-41.7177.5-72.9-174.6114.400111.9K33 V35 K40 T41K33-E37 WeakPolarHBondContact O-CB 3.4Å; K33-E37 WeakPolarHBondContact O-CG 3.3Å; K33-E37 PolarHBondContact O-N 2.99Å; V35-E37 PolarHBondContact O-N 3.35Å; E37-K40 PolarHBondContact O-N 3.5Å; E37-T41 PolarHBondContact O-N 3.24Å; E37-T41 PolarHBondContact O-OG1 2.93Å; E37-T41 VanDerWaalsContact O-OG1 3.1Å
38K83.1Confident78.3Confident143 Ų143109.8 Ų109.862%0.62255%0.546SS*.Hα-helixtrans-61.1-49.8174.3-76.9172.2-174.81770111.9E34 V35 K40 T41 E42E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 WeakPolarHBondContact O-CG 3.28Å; E34-K38 PolarHBondContact O-N 2.77Å; V35-K38 PolarHBondContact O-N 3.32Å; K38-K40 VanDerWaalsContact C-N 3.26Å; K38-K40 PolarHBondContact O-N 2.86Å; K38-T41 PolarHBondContact O-N 2.94Å; K38-E42 WeakPolarHBondContact O-CB 3.33Å; K38-E42 PolarHBondContact O-N 3.47Å
39E87.4Confident79.3Confident87 Ų87112.1 Ų112.141%0.40755%0.554SS.*Hα-helixtrans-59.3-38.8176.6-82.7-152.673.100112.1V35 I36 K43V35-E39 PolarHBondContact O-N 2.93Å; I36-E39 PolarHBondContact O-N 3.27Å; E39-K43 WeakPolarHBondContact O-CB 3.38Å; E39-K43 VanDerWaalsContact O-CG 3.28Å; E39-K43 WeakPolarHBondContact O-CG 3.34Å; E39-K43 PolarHBondContact O-N 2.96Å; E39-K43 IonicContact OE1-NZ 3.16Å; E39-K43 PolarHBondContact OE1-NZ 2.94Å; E39-K43 VanDerWaalsContact OE1-NZ 3.16Å
40K85.6Confident80.4Confident156 Ų156115.2 Ų115.268%0.67856%0.562SS**Hα-helixtrans-65.3-45.3177.9-174178.9-178.7-177.30111.9I36 E37 K38 Q44I36-K40 WeakPolarHBondContact O-CB 3.43Å; I36-K40 PolarHBondContact O-N 3.34Å; E37-K40 PolarHBondContact O-N 3.5Å; K38-K40 VanDerWaalsContact C-N 3.26Å; K38-K40 PolarHBondContact O-N 2.86Å; K40-Q44 WeakPolarHBondContact O-CB 3.31Å; K40-Q44 PolarHBondContact O-N 3.45Å
41T85.6Confident80.9Confident99 Ų99112.3 Ų112.361%0.60755%0.55SS*.Hα-helixtrans-65.1-42.5178-61.20000111.6E37 K38 Q44 L45E37-T41 PolarHBondContact O-N 3.24Å; E37-T41 PolarHBondContact O-OG1 2.93Å; E37-T41 VanDerWaalsContact O-OG1 3.1Å; K38-T41 PolarHBondContact O-N 2.94Å; T41-Q44 PolarHBondContact O-N 3.23Å; T41-L45 PolarHBondContact O-N 3.37Å
42E86.3Confident81Confident125 Ų125115.3 Ų115.358%0.58457%0.569SS**Hα-helixtrans-62.2-47.9177.2-175.5175.28800111.5K38 Q44 L45 L46K38-E42 WeakPolarHBondContact O-CB 3.33Å; K38-E42 PolarHBondContact O-N 3.47Å; E42-Q44 VanDerWaalsContact C-N 3.3Å; E42-Q44 PolarHBondContact O-N 2.97Å; E42-L45 PolarHBondContact O-N 3.33Å; E42-L46 HydrophobicContact CG-CD1 4.14Å; E42-L46 WeakPolarHBondContact O-CG 3.4Å; E42-L46 PolarHBondContact O-N 3.1Å
43K86.3Confident80.9Confident128 Ų128115.6 Ų115.656%0.55757%0.567SS**Hα-helixtrans-60.2-40176.3-74.3175.6-174.8166.10112.3E39 Q47E39-K43 WeakPolarHBondContact O-CB 3.38Å; E39-K43 VanDerWaalsContact O-CG 3.28Å; E39-K43 WeakPolarHBondContact O-CG 3.34Å; E39-K43 PolarHBondContact O-N 2.96Å; E39-K43 IonicContact OE1-NZ 3.16Å; E39-K43 PolarHBondContact OE1-NZ 2.94Å; E39-K43 VanDerWaalsContact OE1-NZ 3.16Å; K43-Q47 WeakPolarHBondContact O-CB 3.48Å; K43-Q47 PolarHBondContact O-N 2.88Å
44Q85.6Confident80.5Confident105 Ų105113.5 Ų113.549%0.49157%0.574SS.*Hα-helixtrans-64.3-44.2176.9-177.361.745.900111.8K40 T41 E42 Q47 E48K40-Q44 WeakPolarHBondContact O-CB 3.31Å; K40-Q44 PolarHBondContact O-N 3.45Å; T41-Q44 PolarHBondContact O-N 3.23Å; E42-Q44 VanDerWaalsContact C-N 3.3Å; E42-Q44 PolarHBondContact O-N 2.97Å; Q44-Q47 PolarHBondContact O-N 3.37Å; Q44-E48 WeakPolarHBondContact O-CB 3.3Å; Q44-E48 PolarHBondContact O-N 3.2Å
45L85.2Confident80Confident96 Ų96114.3 Ų114.350%0.50358%0.581SS.*Hα-helixtrans-64.6-45.2178.5178.462.1000111.7T41 E42 Q47 E48 I49T41-L45 PolarHBondContact O-N 3.37Å; E42-L45 PolarHBondContact O-N 3.33Å; L45-Q47 VanDerWaalsContact C-N 3.3Å; L45-Q47 PolarHBondContact O-N 2.97Å; L45-E48 PolarHBondContact O-N 2.92Å; L45-I49 HydrophobicContact CD1-CD1 3.91Å; L45-I49 HydrophobicContact CD1-CG1 4.29Å; L45-I49 HydrophobicContact CG-CD1 3.86Å; L45-I49 VanDerWaalsContact O-CG1 3.31Å; L45-I49 WeakPolarHBondContact O-CG1 3.18Å; L45-I49 PolarHBondContact O-N 3Å
46L85.9Confident79.5Confident104 Ų104120.2 Ų120.255%0.54560%0.602SS.*Hα-helixtrans-59.4-43.5176.5-72173.3000111.3E42 I49 E50E42-L46 HydrophobicContact CG-CD1 4.14Å; E42-L46 WeakPolarHBondContact O-CG 3.4Å; E42-L46 PolarHBondContact O-N 3.1Å; L46-I49 PolarHBondContact O-N 2.83Å; L46-E50 VanDerWaalsContact O-CB 3.3Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 PolarHBondContact O-N 3.01Å
47Q83.7Confident78.6Confident114 Ų114127.6 Ų127.653%0.53362%0.624SS.*Hα-helixtrans-65.5-38.8176.3-171.8170-10200112.1K43 Q44 L45 I49 E50 T51K43-Q47 WeakPolarHBondContact O-CB 3.48Å; K43-Q47 PolarHBondContact O-N 2.88Å; Q44-Q47 PolarHBondContact O-N 3.37Å; L45-Q47 VanDerWaalsContact C-N 3.3Å; L45-Q47 PolarHBondContact O-N 2.97Å; Q47-I49 VanDerWaalsContact C-N 3.34Å; Q47-I49 PolarHBondContact O-N 2.89Å; Q47-E50 PolarHBondContact O-N 3Å; Q47-T51 HydrophobicContact CG-CG2 4.26Å; Q47-T51 WeakPolarHBondContact O-CB 3.36Å; Q47-T51 WeakPolarHBondContact O-CG2 3.33Å; Q47-T51 PolarHBondContact O-N 3.15Å; Q47-T51 PolarHBondContact O-OG1 3.48Å
48E80.3Confident77.6Confident104 Ų104126.8 Ų126.849%0.48663%0.628SS.*Hα-helixtrans-65.5-36.9177-165.317297.700112.1Q44 L45 T51 H53Q44-E48 WeakPolarHBondContact O-CB 3.3Å; Q44-E48 PolarHBondContact O-N 3.2Å; L45-E48 PolarHBondContact O-N 2.92Å; E48-T51 WeakPolarHBondContact CA-OG1 3.26Å; E48-T51 PolarHBondContact O-OG1 3.43Å; E48-H53 PolarHBondContact O-CE1 3.01Å; E48-H53 PolarHBondContact O-ND1 3.39Å; E48-H53 VanDerWaalsContact O-ND1 3.15Å
49I79.9Confident76.5Confident126 Ų126124.9 Ų124.965%0.64663%0.632SS**Hα-helixtrans-74-40.9176.5-64164.3000111.5L45 L46 Q47L45-I49 HydrophobicContact CD1-CD1 3.91Å; L45-I49 HydrophobicContact CD1-CG1 4.29Å; L45-I49 HydrophobicContact CG-CD1 3.86Å; L45-I49 VanDerWaalsContact O-CG1 3.31Å; L45-I49 WeakPolarHBondContact O-CG1 3.18Å; L45-I49 PolarHBondContact O-N 3Å; L46-I49 PolarHBondContact O-N 2.83Å; Q47-I49 VanDerWaalsContact C-N 3.34Å; Q47-I49 PolarHBondContact O-N 2.89Å
50E80.7Confident75.2Confident163 Ų163126.3 Ų126.376%0.76265%0.647SS**Hα-helixtrans-69.2-37178.8-174.7178.889.800111.4L46 Q47 P52L46-E50 VanDerWaalsContact O-CB 3.3Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 PolarHBondContact O-N 3.01Å; Q47-E50 PolarHBondContact O-N 3Å; E50-P52 VanDerWaalsContact O-CD 3.26Å; E50-P52 WeakPolarHBondContact O-CD 3.46Å; E50-P52 VanDerWaalsContact O-N 3.16Å
51T75Confident74.1Confident63 Ų63127.2 Ų127.239%0.38765%0.651SS.*SBendtrans-63.2120.3176.550.70000109.1Q47 E48 H53Q47-T51 HydrophobicContact CG-CG2 4.26Å; Q47-T51 WeakPolarHBondContact O-CB 3.36Å; Q47-T51 WeakPolarHBondContact O-CG2 3.33Å; Q47-T51 PolarHBondContact O-N 3.15Å; Q47-T51 PolarHBondContact O-OG1 3.48Å; E48-T51 WeakPolarHBondContact CA-OG1 3.26Å; E48-T51 PolarHBondContact O-OG1 3.43Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.68Å; T51-H53 PolarHBondContact O-ND1 3.26Å; T51-H53 VanDerWaalsContact O-ND1 3.08Å; T51-H53 PolarHBondContact OG1-CE1 3.42Å
52P67.9Low72.9Confident125 Ų125130.2 Ų130.281%0.81266%0.658SS**  trans-67.994.2177.626.8-32.4000107.6E50 S54E50-P52 VanDerWaalsContact O-CD 3.26Å; E50-P52 WeakPolarHBondContact O-CD 3.46Å; E50-P52 VanDerWaalsContact O-N 3.16Å; P52-S54 PolarHBondContact O-N 3.08Å
53H66.3Low71.6Confident109 Ų109133.4 Ų133.451%0.50567%0.67SS.*  trans-58131.3166.9-74.574.1000106.4E48 T51 L55E48-H53 PolarHBondContact O-CE1 3.01Å; E48-H53 PolarHBondContact O-ND1 3.39Å; E48-H53 VanDerWaalsContact O-ND1 3.15Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.68Å; T51-H53 PolarHBondContact O-ND1 3.26Å; T51-H53 VanDerWaalsContact O-ND1 3.08Å; T51-H53 PolarHBondContact OG1-CE1 3.42Å; H53-L55 HydrophobicContact CB-CD2 4.17Å; H53-L55 HydrophobicContact CB-CG 4.21Å; H53-L55 PolarHBondContact O-N 2.75Å
54S66.8Low70.5Confident124 Ų124132.5 Ų132.587%0.86767%0.671SS**  trans-68.767.7168.1-65.10000107.8P52 K56P52-S54 PolarHBondContact O-N 3.08Å; S54-K56 PolarHBondContact O-N 3.18Å
55L66.7Low69.3Low145 Ų145132.4 Ų132.476%0.75968%0.68SS**  trans-56.3117.7171.3-66.5179.9000104.8H53 R57H53-L55 HydrophobicContact CB-CD2 4.17Å; H53-L55 HydrophobicContact CB-CG 4.21Å; H53-L55 PolarHBondContact O-N 2.75Å; L55-R57 PolarHBondContact O-N 3.04Å
56K67.8Low68.6Low190 Ų190134.7 Ų134.783%0.82669%0.692SS**  trans-51.3132.2176.5-62.7-162.3-170.1-171.70106.5S54 T58S54-K56 PolarHBondContact O-N 3.18Å; K56-T58 VanDerWaalsContact C-N 3.3Å; K56-T58 PolarHBondContact O-N 2.85Å
57R62.5Low67.9Low246 Ų246133.6 Ų133.693%0.92869%0.691SS**  trans-50.299.4177-70.317464.385.5-1.1108.2L55 S59L55-R57 PolarHBondContact O-N 3.04Å; R57-S59 PolarHBondContact O-N 2.79Å; R57-S59 VanDerWaalsContact O-N 3.15Å
58T60Low67.2Low111 Ų111131.8 Ų131.868%0.68169%0.688SS**  trans-77.4102.3172.7146.20000104.6K56 T60K56-T58 VanDerWaalsContact C-N 3.3Å; K56-T58 PolarHBondContact O-N 2.85Å; T58-T60 PolarHBondContact O-N 2.84Å
59S60.7Low66.9Low102 Ų102135.8 Ų135.871%0.71370%0.703SS**  trans-71.989.8167.2-173.40000106.2R57 K61R57-S59 PolarHBondContact O-N 2.79Å; R57-S59 VanDerWaalsContact O-N 3.15Å; S59-K61 PolarHBondContact O-N 2.81Å
60T59.8Low66.6Low117 Ų117137.5 Ų137.572%0.71871%0.709SS**  trans-64.591169.6-43.20000105.7T58 E62T58-T60 PolarHBondContact O-N 2.84Å; T60-E62 PolarHBondContact O-N 2.95Å
61K63Low66.3Low176 Ų176133.8 Ų133.877%0.76569%0.694SS**  trans-66.592.4164.3-70.1-167.5178.8-174.30104.8S59 K63S59-K61 PolarHBondContact O-N 2.81Å; K61-K63 PolarHBondContact O-N 3.15Å
62E60Low66.3Low162 Ų162135.4 Ų135.476%0.75770%0.7SS**  trans-55.497.9168.8-176.3155.4170.700106.4T60 N64T60-E62 PolarHBondContact O-N 2.95Å; E62-N64 HydrophobicContact CG-CB 4.09Å; E62-N64 PolarHBondContact O-N 2.7Å
63K60.5Low66.7Low192 Ų192132.3 Ų132.384%0.83568%0.684SS**  trans-76.761.1174.1-65.4-173.7-171.9179.20107.3K61 P65K61-K63 PolarHBondContact O-N 3.15Å; K63-P65 WeakPolarHBondContact O-CD 3.45Å
64N61.7Low67.1Low109 Ų109129.8 Ų129.858%0.58368%0.682SS**  trans-100.462.9157.3-16727.2000107.5E62 L66E62-N64 HydrophobicContact CG-CB 4.09Å; E62-N64 PolarHBondContact O-N 2.7Å; N64-L66 PolarHBondContact O-N 3.41Å
65P62Low67.6Low102 Ų102131.1 Ų131.166%0.66268%0.675SS**PPolyproline II helixtrans-57.9119.9168.728.8-31.3000105.9K63K63-P65 WeakPolarHBondContact O-CD 3.45Å
66L69.3Low67.8Low145 Ų145132.4 Ų132.476%0.75967%0.674SS**PPolyproline II helixtrans-51.2135.4172.2-66.5167.9000107.6N64 T68N64-L66 PolarHBondContact O-N 3.41Å; L66-T68 PolarHBondContact O-N 3.08Å
67P71.2Confident68.1Low81 Ų81127.5 Ų127.553%0.52667%0.669SS.*PPolyproline II helixtrans-51.1134.7-179.917.7-29.3000109.4D71 I72P67-D71 HydrophobicContact CB-CB 4.05Å; P67-I72 HydrophobicContact CB-CG1 4.23Å; P67-I72 HydrophobicContact CG-CG1 4.38Å
68T69.8Low68.4Low76 Ų76122.9 Ų122.947%0.46666%0.661SS.*PPolyproline II helixtrans-68.2160.5-178.5710000109.6L66 E70 D71 I72L66-T68 PolarHBondContact O-N 3.08Å; T68-E70 PolarHBondContact O-N 3.22Å; T68-E70 VanDerWaalsContact O-N 3.14Å; T68-D71 WeakPolarHBondContact CA-OD2 2.99Å; T68-D71 VanDerWaalsContact CB-OD2 3.3Å; T68-D71 WeakPolarHBondContact CB-OD2 3.37Å; T68-D71 PolarHBondContact N-OD2 3.16Å; T68-D71 WeakPolarHBondContact O-CB 3.41Å; T68-D71 PolarHBondContact O-N 3.31Å; T68-D71 PolarHBondContact OG1-N 3.03Å; T68-D71 PolarHBondContact OG1-OD2 3.32Å; T68-I72 WeakPolarHBondContact O-CG1 3.27Å; T68-I72 PolarHBondContact O-N 3.18Å
69K72.6Confident67.9Low187 Ų187128.4 Ų128.481%0.81368%0.679SS**Hα-helixtrans-58.1-28.2177.5-65.5-178.7-179.1178.50112.3A73K69-A73 VanDerWaalsContact O-CB 3.27Å; K69-A73 WeakPolarHBondContact O-CB 3.3Å; K69-A73 PolarHBondContact O-N 2.86Å
70E73.7Confident68.2Low162 Ų162129.8 Ų129.876%0.75768%0.677SS**Hα-helixtrans-69.3-42.9173.5-72.1-173.989.400111.7T68 I72 A73 A74T68-E70 PolarHBondContact O-N 3.22Å; T68-E70 VanDerWaalsContact O-N 3.14Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.07Å; E70-A73 PolarHBondContact O-N 3.38Å; E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 3Å
71D75.3Confident68.7Low85 Ų85130.4 Ų130.446%0.45568%0.675SS.*Hα-helixtrans-60.5-44.2175.1-58.9-62.3000111.2P67 T68 A73 A74 E75P67-D71 HydrophobicContact CB-CB 4.05Å; T68-D71 WeakPolarHBondContact CA-OD2 2.99Å; T68-D71 VanDerWaalsContact CB-OD2 3.3Å; T68-D71 WeakPolarHBondContact CB-OD2 3.37Å; T68-D71 PolarHBondContact N-OD2 3.16Å; T68-D71 WeakPolarHBondContact O-CB 3.41Å; T68-D71 PolarHBondContact O-N 3.31Å; T68-D71 PolarHBondContact OG1-N 3.03Å; T68-D71 PolarHBondContact OG1-OD2 3.32Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-A73 PolarHBondContact O-N 3.25Å; D71-A74 PolarHBondContact O-N 3.49Å; D71-E75 PolarHBondContact O-N 3.45Å
72I75Confident69Low98 Ų98127.9 Ų127.950%0.50367%0.67SS.*Hα-helixtrans-65.5-39.8178.6-58.3166.2000110.7P67 T68 E70 K76P67-I72 HydrophobicContact CB-CG1 4.23Å; P67-I72 HydrophobicContact CG-CG1 4.38Å; T68-I72 WeakPolarHBondContact O-CG1 3.27Å; T68-I72 PolarHBondContact O-N 3.18Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.07Å; I72-K76 WeakPolarHBondContact O-CB 3.43Å; I72-K76 PolarHBondContact O-N 2.58Å; I72-K76 VanDerWaalsContact O-N 3.08Å
73A75.2Confident69.5Low60 Ų60125.9 Ų125.950%0.49667%0.665SS.*Hα-helixtrans-69.5-37.6178.300000112.2K69 E70 D71 K76 A77K69-A73 VanDerWaalsContact O-CB 3.27Å; K69-A73 WeakPolarHBondContact O-CB 3.3Å; K69-A73 PolarHBondContact O-N 2.86Å; E70-A73 PolarHBondContact O-N 3.38Å; D71-A73 VanDerWaalsContact C-N 3.35Å; D71-A73 PolarHBondContact O-N 3.25Å; A73-K76 PolarHBondContact O-N 2.82Å; A73-A77 PolarHBondContact O-N 3.39Å
74A74.6Confident70.1Confident55 Ų55121.8 Ų121.846%0.45565%0.654SS.*Hα-helixtrans-64.1-44.4175.900000111.8E70 D71 A77E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 3Å; D71-A74 PolarHBondContact O-N 3.49Å; A74-A77 PolarHBondContact O-N 3Å
75E77.4Confident70.6Confident152 Ų152122.6 Ų122.671%0.7166%0.659SS**Hα-helixtrans-63.3-42174.5-87.4-113.984.100112.2D71 A77 I78D71-E75 PolarHBondContact O-N 3.45Å; E75-A77 PolarHBondContact O-N 3.03Å; E75-I78 PolarHBondContact O-N 3.14Å; E75-I78 VanDerWaalsContact O-N 3.16Å
76K72.7Confident71.2Confident172 Ų172124.1 Ų124.175%0.74866%0.659SS**Hα-helixtrans-68.2-18.6-179.8-155.1-171.5-179.2-151.60113.5I72 A73I72-K76 WeakPolarHBondContact O-CB 3.43Å; I72-K76 PolarHBondContact O-N 2.58Å; I72-K76 VanDerWaalsContact O-N 3.08Å; A73-K76 PolarHBondContact O-N 2.82Å
77A73.2Confident71.4Confident87 Ų87122.5 Ų122.572%0.71965%0.651SS**Hα-helixtrans-84-16.3176.700000113.1A73 A74 E75A73-A77 PolarHBondContact O-N 3.39Å; A74-A77 PolarHBondContact O-N 3Å; E75-A77 PolarHBondContact O-N 3.03Å
78I68.6Low71.4Confident150 Ų150125.9 Ų125.977%0.76966%0.662SS**Hα-helixtrans-97.5-10.4-177-59.2170.5000111.7E75E75-I78 PolarHBondContact O-N 3.14Å; E75-I78 VanDerWaalsContact O-N 3.16Å
79H49Very low71.6Confident227 Ų227130.5 Ų130.5100%1.05168%0.68SS**  trans-109.20173.7-167.864.6000112.3

Retrieved 79 of 79 residues in 114.2 ms (Link to these results)