A0A077ZEF3_TRITR Loading...

DUF5641 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZEF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 65 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
1M68.2Low87.2Confident196 Ų196135.1 Ų135.197%0.96662%0.624SS**  0-540-70.9177.9179.700112.5N3 Q4 S5M1-N3 PolarHBondContact O-N 2.99Å; M1-Q4 PolarHBondContact O-N 3.33Å; M1-S5 PolarHBondContact O-N 3.29Å; M1-S5 PolarHBondContact O-OG 2.93Å
2V82.3Confident87.4Confident118 Ų118132.6 Ų132.672%0.71561%0.612SS**Hα-helixtrans-53-45.4-177.2-1770000114.1Q4 S5 W6V2-Q4 VanDerWaalsContact C-N 3.28Å; V2-Q4 PolarHBondContact O-N 3.03Å; V2-S5 PolarHBondContact O-N 3.05Å; V2-W6 PolarHBondContact O-N 2.96Å
3N87Confident87.4Confident125 Ų125130.6 Ų130.667%0.66860%0.598SS**Hα-helixtrans-62.8-30.9179.7-76.9-19.9000114M1 K7M1-N3 PolarHBondContact O-N 2.99Å; N3-K7 WeakPolarHBondContact O-CB 3.49Å; N3-K7 VanDerWaalsContact O-CG 3.29Å; N3-K7 WeakPolarHBondContact O-CG 3.47Å; N3-K7 PolarHBondContact O-N 3.48Å; N3-K7 VanDerWaalsContact O-N 3.13Å
4Q88.8Confident87.3Confident145 Ų145126.6 Ų126.668%0.67858%0.583SS**Hα-helixtrans-73.3-44.2176.6-73.9170.5-34.600110.2M1 V2 W6 K7 R8M1-Q4 PolarHBondContact O-N 3.33Å; V2-Q4 VanDerWaalsContact C-N 3.28Å; V2-Q4 PolarHBondContact O-N 3.03Å; Q4-W6 VanDerWaalsContact C-N 3.33Å; Q4-W6 PolarHBondContact O-N 3.42Å; Q4-K7 PolarHBondContact O-N 2.91Å; Q4-R8 WeakPolarHBondContact O-CB 3.21Å; Q4-R8 PolarHBondContact O-N 3.17Å
5S87.7Confident87Confident80 Ų80123.1 Ų123.156%0.55958%0.576SS**Hα-helixtrans-59.6-44175.4-50.70000111.5M1 V2 R8 W9M1-S5 PolarHBondContact O-N 3.29Å; M1-S5 PolarHBondContact O-OG 2.93Å; V2-S5 PolarHBondContact O-N 3.05Å; S5-R8 PolarHBondContact O-N 3.4Å; S5-W9 WeakPolarHBondContact O-CB 3.47Å; S5-W9 PolarHBondContact O-N 3.33Å
6W90.5Very high86.7Confident137 Ų137121.7 Ų121.752%0.51958%0.578SS.*Hα-helixtrans-64.2-47.2179.1-177.2-120.2000112.7V2 Q4 R8 W9 L10V2-W6 PolarHBondContact O-N 2.96Å; Q4-W6 VanDerWaalsContact C-N 3.33Å; Q4-W6 PolarHBondContact O-N 3.42Å; W6-R8 VanDerWaalsContact C-N 3.33Å; W6-R8 PolarHBondContact O-N 3.01Å; W6-W9 AromaticContact CE3-CE3 3.89Å; W6-W9 HydrophobicContact CE3-CE3 3.89Å; W6-W9 HydrophobicContact CE3-CZ3 4.42Å; W6-W9 AromaticContact CH2-CE3 3.79Å; W6-W9 HydrophobicContact CH2-CE3 3.79Å; W6-W9 HydrophobicContact CH2-CH2 4.4Å; W6-W9 AromaticContact CH2-CZ3 3.49Å; W6-W9 HydrophobicContact CH2-CZ3 3.49Å; W6-W9 VanDerWaalsContact CH2-CZ3 3.49Å; W6-W9 HydrophobicContact CZ2-CZ3 4.42Å; W6-W9 HydrophobicContact CZ3-CD2 4.17Å; W6-W9 AromaticContact CZ3-CE3 3.36Å; W6-W9 HydrophobicContact CZ3-CE3 3.36Å; W6-W9 HydrophobicContact CZ3-CH2 4.36Å; W6-W9 AromaticContact CZ3-CZ3 3.49Å; W6-W9 HydrophobicContact CZ3-CZ3 3.49Å; W6-W9 VanDerWaalsContact CZ3-CZ3 3.49Å; W6-W9 PolarHBondContact O-N 3.13Å; W6-L10 HydrophobicContact CD2-CD1 4.29Å; W6-L10 HydrophobicContact CD2-CG 4.34Å; W6-L10 HydrophobicContact CG-CD1 4.44Å; W6-L10 HydrophobicContact CH2-CD2 4.21Å; W6-L10 HydrophobicContact CZ2-CD1 4.06Å; W6-L10 HydrophobicContact CZ2-CD2 3.87Å; W6-L10 HydrophobicContact CZ2-CG 4.09Å; W6-L10 WeakPolarHBondContact O-CG 3.29Å; W6-L10 PolarHBondContact O-N 3.21Å
7K91.8Very high86.5Confident154 Ų154120.9 Ų120.967%0.6758%0.578SS**Hα-helixtrans-62.7-40177.4-75179.7179.9-174.20112.3N3 Q4 R11N3-K7 WeakPolarHBondContact O-CB 3.49Å; N3-K7 VanDerWaalsContact O-CG 3.29Å; N3-K7 WeakPolarHBondContact O-CG 3.47Å; N3-K7 PolarHBondContact O-N 3.48Å; N3-K7 VanDerWaalsContact O-N 3.13Å; Q4-K7 PolarHBondContact O-N 2.91Å; K7-R11 PolarHBondContact O-N 3.23Å; K7-R11 VanDerWaalsContact O-N 3.15Å
8R90.9Very high86.1Confident159 Ų159121.7 Ų121.760%0.658%0.581SS**Hα-helixtrans-65.3-47.4176.9-175.7179.2172.1-126.3-18.9110.9Q4 S5 W6 L10 R11 E12Q4-R8 WeakPolarHBondContact O-CB 3.21Å; Q4-R8 PolarHBondContact O-N 3.17Å; S5-R8 PolarHBondContact O-N 3.4Å; W6-R8 VanDerWaalsContact C-N 3.33Å; W6-R8 PolarHBondContact O-N 3.01Å; R8-L10 PolarHBondContact O-N 2.99Å; R8-R11 PolarHBondContact O-N 2.73Å; R8-E12 HydrophobicContact CG-CG 4.32Å; R8-E12 WeakPolarHBondContact CG-OE1 3.41Å; R8-E12 IonicContact CZ-OE1 3.49Å; R8-E12 IonicContact CZ-OE2 3.29Å; R8-E12 VanDerWaalsContact CZ-OE2 3.29Å; R8-E12 VanDerWaalsContact NE-CD 3.33Å; R8-E12 IonicContact NE-OE1 2.74Å; R8-E12 PolarHBondContact NE-OE1 3.32Å; R8-E12 IonicContact NE-OE2 3.23Å; R8-E12 PolarHBondContact NE-OE2 3.47Å; R8-E12 IonicContact NH2-OE1 3.36Å; R8-E12 PolarHBondContact NH2-OE1 2.99Å; R8-E12 IonicContact NH2-OE2 2.78Å; R8-E12 PolarHBondContact NH2-OE2 2.9Å; R8-E12 WeakPolarHBondContact O-CB 3.09Å; R8-E12 PolarHBondContact O-N 2.73Å
9W91.1Very high85.4Confident110 Ų110124.4 Ų124.442%0.41759%0.585SS.*Hα-helixtrans-58.2-47.3178-178.883.6000111.7S5 W6 R11 E12 Y13S5-W9 WeakPolarHBondContact O-CB 3.47Å; S5-W9 PolarHBondContact O-N 3.33Å; W6-W9 AromaticContact CE3-CE3 3.89Å; W6-W9 HydrophobicContact CE3-CE3 3.89Å; W6-W9 HydrophobicContact CE3-CZ3 4.42Å; W6-W9 AromaticContact CH2-CE3 3.79Å; W6-W9 HydrophobicContact CH2-CE3 3.79Å; W6-W9 HydrophobicContact CH2-CH2 4.4Å; W6-W9 AromaticContact CH2-CZ3 3.49Å; W6-W9 HydrophobicContact CH2-CZ3 3.49Å; W6-W9 VanDerWaalsContact CH2-CZ3 3.49Å; W6-W9 HydrophobicContact CZ2-CZ3 4.42Å; W6-W9 HydrophobicContact CZ3-CD2 4.17Å; W6-W9 AromaticContact CZ3-CE3 3.36Å; W6-W9 HydrophobicContact CZ3-CE3 3.36Å; W6-W9 HydrophobicContact CZ3-CH2 4.36Å; W6-W9 AromaticContact CZ3-CZ3 3.49Å; W6-W9 HydrophobicContact CZ3-CZ3 3.49Å; W6-W9 VanDerWaalsContact CZ3-CZ3 3.49Å; W6-W9 PolarHBondContact O-N 3.13Å; W9-R11 VanDerWaalsContact C-N 3.32Å; W9-R11 PolarHBondContact O-N 2.92Å; W9-E12 PolarHBondContact O-N 2.85Å; W9-Y13 HydrophobicContact CD2-CD1 4.39Å; W9-Y13 AromaticContact CE2-CD1 3.43Å; W9-Y13 VanDerWaalsContact CE2-CD1 3.43Å; W9-Y13 AromaticContact CE2-CG 3.88Å; W9-Y13 AromaticContact CH2-CD1 3.94Å; W9-Y13 HydrophobicContact CH2-CD1 3.94Å; W9-Y13 HydrophobicContact CH2-CE1 4.4Å; W9-Y13 AromaticContact CZ2-CD1 3.18Å; W9-Y13 HydrophobicContact CZ2-CD1 3.18Å; W9-Y13 AromaticContact CZ2-CE1 3.56Å; W9-Y13 HydrophobicContact CZ2-CE1 3.56Å; W9-Y13 HydrophobicContact CZ2-CG 4.1Å; W9-Y13 AromaticContact NE1-CD1 3.61Å; W9-Y13 AromaticContact NE1-CG 3.65Å; W9-Y13 WeakPolarHBondContact O-CA 3Å; W9-Y13 WeakPolarHBondContact O-CB 3.46Å; W9-Y13 PolarHBondContact O-N 3.03Å
10L91.3Very high84.9Confident54 Ų54125.8 Ų125.828%0.28358%0.584SS.*Hα-helixtrans-58.9-43.2176.5-72.9171000112.1W6 R8 L14W6-L10 HydrophobicContact CD2-CD1 4.29Å; W6-L10 HydrophobicContact CD2-CG 4.34Å; W6-L10 HydrophobicContact CG-CD1 4.44Å; W6-L10 HydrophobicContact CH2-CD2 4.21Å; W6-L10 HydrophobicContact CZ2-CD1 4.06Å; W6-L10 HydrophobicContact CZ2-CD2 3.87Å; W6-L10 HydrophobicContact CZ2-CG 4.09Å; W6-L10 WeakPolarHBondContact O-CG 3.29Å; W6-L10 PolarHBondContact O-N 3.21Å; R8-L10 PolarHBondContact O-N 2.99Å; L10-L14 HydrophobicContact CB-CD1 4.03Å; L10-L14 HydrophobicContact CD2-CD1 3.43Å; L10-L14 VanDerWaalsContact CD2-CD1 3.43Å; L10-L14 HydrophobicContact CD2-CD2 4.48Å; L10-L14 HydrophobicContact CD2-CG 3.94Å; L10-L14 HydrophobicContact CG-CD1 4.32Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.25Å
11R89.2Confident84.1Confident208 Ų208124.9 Ų124.979%0.78558%0.583SS**Hα-helixtrans-69.4-37.5-178.9-175.3-178.6-72.5164.9-5.5113K7 R8 W9 P15K7-R11 PolarHBondContact O-N 3.23Å; K7-R11 VanDerWaalsContact O-N 3.15Å; R8-R11 PolarHBondContact O-N 2.73Å; W9-R11 VanDerWaalsContact C-N 3.32Å; W9-R11 PolarHBondContact O-N 2.92Å; R11-P15 VanDerWaalsContact O-CD 3.27Å; R11-P15 WeakPolarHBondContact O-CD 3.37Å; R11-P15 VanDerWaalsContact O-CG 3.27Å; R11-P15 WeakPolarHBondContact O-CG 3.16Å
12E89.7Confident84.3Confident105 Ų105121.3 Ų121.349%0.49157%0.568SS.*Hα-helixtrans-90-37.6-174.1-69.5177.8-166.100112.6R8 W9R8-E12 HydrophobicContact CG-CG 4.32Å; R8-E12 WeakPolarHBondContact CG-OE1 3.41Å; R8-E12 IonicContact CZ-OE1 3.49Å; R8-E12 IonicContact CZ-OE2 3.29Å; R8-E12 VanDerWaalsContact CZ-OE2 3.29Å; R8-E12 VanDerWaalsContact NE-CD 3.33Å; R8-E12 IonicContact NE-OE1 2.74Å; R8-E12 PolarHBondContact NE-OE1 3.32Å; R8-E12 IonicContact NE-OE2 3.23Å; R8-E12 PolarHBondContact NE-OE2 3.47Å; R8-E12 IonicContact NH2-OE1 3.36Å; R8-E12 PolarHBondContact NH2-OE1 2.99Å; R8-E12 IonicContact NH2-OE2 2.78Å; R8-E12 PolarHBondContact NH2-OE2 2.9Å; R8-E12 WeakPolarHBondContact O-CB 3.09Å; R8-E12 PolarHBondContact O-N 2.73Å; W9-E12 PolarHBondContact O-N 2.85Å
13Y87.7Confident83.6Confident107 Ų107124.5 Ų124.542%0.4257%0.568SS.*Hα-helixtrans-94.8-35.7-172.5-169.1-107.6000113.5W9 T16 L17W9-Y13 HydrophobicContact CD2-CD1 4.39Å; W9-Y13 AromaticContact CE2-CD1 3.43Å; W9-Y13 VanDerWaalsContact CE2-CD1 3.43Å; W9-Y13 AromaticContact CE2-CG 3.88Å; W9-Y13 AromaticContact CH2-CD1 3.94Å; W9-Y13 HydrophobicContact CH2-CD1 3.94Å; W9-Y13 HydrophobicContact CH2-CE1 4.4Å; W9-Y13 AromaticContact CZ2-CD1 3.18Å; W9-Y13 HydrophobicContact CZ2-CD1 3.18Å; W9-Y13 AromaticContact CZ2-CE1 3.56Å; W9-Y13 HydrophobicContact CZ2-CE1 3.56Å; W9-Y13 HydrophobicContact CZ2-CG 4.1Å; W9-Y13 AromaticContact NE1-CD1 3.61Å; W9-Y13 AromaticContact NE1-CG 3.65Å; W9-Y13 WeakPolarHBondContact O-CA 3Å; W9-Y13 WeakPolarHBondContact O-CB 3.46Å; W9-Y13 PolarHBondContact O-N 3.03Å; Y13-T16 PolarHBondContact O-N 3.13Å; Y13-T16 VanDerWaalsContact O-N 3.14Å; Y13-T16 PolarHBondContact O-OG1 3.03Å; Y13-L17 HydrophobicContact CD1-CD1 3.81Å; Y13-L17 HydrophobicContact CD1-CG 4.04Å; Y13-L17 HydrophobicContact CE1-CD1 3.52Å; Y13-L17 HydrophobicContact CE1-CD2 3.88Å; Y13-L17 HydrophobicContact CE1-CG 3.73Å; Y13-L17 PolarHBondContact O-N 3.04Å
14L86.4Confident82.6Confident75 Ų75126 Ų12639%0.39356%0.564SS.*Hα-helixtrans-59.6-41.7179-73.7173.9000113.5L10 T16 L17 Q18L10-L14 HydrophobicContact CB-CD1 4.03Å; L10-L14 HydrophobicContact CD2-CD1 3.43Å; L10-L14 VanDerWaalsContact CD2-CD1 3.43Å; L10-L14 HydrophobicContact CD2-CD2 4.48Å; L10-L14 HydrophobicContact CD2-CG 3.94Å; L10-L14 HydrophobicContact CG-CD1 4.32Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.25Å; L14-T16 PolarHBondContact O-N 3.18Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-Q18 PolarHBondContact O-N 2.94Å; L14-Q18 VanDerWaalsContact O-N 3.16Å
15P81.7Confident81.6Confident73 Ų73124.7 Ų124.747%0.47456%0.561SS.*Hα-helixtrans-65-22.4179.4-23.135.5000113.5R11R11-P15 VanDerWaalsContact O-CD 3.27Å; R11-P15 WeakPolarHBondContact O-CD 3.37Å; R11-P15 VanDerWaalsContact O-CG 3.27Å; R11-P15 WeakPolarHBondContact O-CG 3.16Å
16T82.3Confident80.5Confident101 Ų101129.2 Ų129.262%0.6258%0.58SS**Hα-helixtrans-83.4-25.7177.664.60000112.5Y13 L14 Q18Y13-T16 PolarHBondContact O-N 3.13Å; Y13-T16 VanDerWaalsContact O-N 3.14Å; Y13-T16 PolarHBondContact O-OG1 3.03Å; L14-T16 PolarHBondContact O-N 3.18Å; T16-Q18 VanDerWaalsContact C-N 3.34Å
17L84.2Confident79.6Confident108 Ų108129 Ų12957%0.56559%0.587SS**Hα-helixtrans-75.1-26.5170.5-67.2-178.9000112.5Y13 L14Y13-L17 HydrophobicContact CD1-CD1 3.81Å; Y13-L17 HydrophobicContact CD1-CG 4.04Å; Y13-L17 HydrophobicContact CE1-CD1 3.52Å; Y13-L17 HydrophobicContact CE1-CD2 3.88Å; Y13-L17 HydrophobicContact CE1-CG 3.73Å; Y13-L17 PolarHBondContact O-N 3.04Å; L14-L17 PolarHBondContact O-N 3.02Å
18Q79.5Confident78.7Confident136 Ų136125.9 Ų125.964%0.63659%0.59SS**SBendtrans-69.5133.3173.9-71.7179.4-2000109.7L14 T16 R20L14-Q18 PolarHBondContact O-N 2.94Å; L14-Q18 VanDerWaalsContact O-N 3.16Å; T16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-R20 PolarHBondContact O-N 3.24Å
19R73Confident78Confident172 Ų172121.4 Ų121.465%0.64958%0.578SS**  trans-58.5122.9175.6-168.2176.675.3164.66108.1D21R19-D21 PolarHBondContact O-N 3.28Å
20R74.4Confident77.4Confident153 Ų153118 Ų11858%0.57757%0.568SS**  trans-76.894.9-175.8-176.7165.9173.1-172.4-0.3110.7Q18 N22 W23Q18-R20 PolarHBondContact O-N 3.24Å; R20-N22 PolarHBondContact O-N 3.37Å; R20-N22 VanDerWaalsContact O-N 3.13Å; R20-W23 VanDerWaalsContact CD-CD1 3.41Å; R20-W23 PolarHBondContact O-N 3.19Å
21D68.9Low76.8Confident106 Ų106124.2 Ų124.257%0.56759%0.587SS**G310 helixtrans-55.7-32.3-173.5-63.5-33000114.1R19 W23 W24R19-D21 PolarHBondContact O-N 3.28Å; D21-W23 PolarHBondContact O-N 3.16Å; D21-W24 CarbonylContact O-C 3.44Å; D21-W24 WeakPolarHBondContact O-CA 3.27Å; D21-W24 PolarHBondContact O-N 3.22Å
22N71.1Confident76.5Confident122 Ų122118.9 Ų118.965%0.65258%0.578SS**G310 helixtrans-59.7-23.1-177.8-66.34.1000114.9R20R20-N22 PolarHBondContact O-N 3.37Å; R20-N22 VanDerWaalsContact O-N 3.13Å
23W68.4Low76.1Confident185 Ų185115.8 Ų115.870%0.70157%0.574SS**G310 helixtrans-93-13177.2-57.8113.3000112.7R20 D21 N25R20-W23 VanDerWaalsContact CD-CD1 3.41Å; R20-W23 PolarHBondContact O-N 3.19Å; D21-W23 PolarHBondContact O-N 3.16Å; W23-N25 PolarHBondContact O-N 3.14Å
24W66Low75.8Confident157 Ų157114.1 Ų114.160%0.59557%0.572SS**  trans-101.567.5176.5-52.996.2000108.3D21D21-W24 CarbonylContact O-C 3.44Å; D21-W24 WeakPolarHBondContact O-CA 3.27Å; D21-W24 PolarHBondContact O-N 3.22Å
25N67Low75.5Confident116 Ų116118.4 Ų118.462%0.6259%0.588SS**  trans-72.5135161.5-65-53.2000107W23 I27W23-N25 PolarHBondContact O-N 3.14Å; N25-I27 HydrophobicContact CB-CG1 4.18Å; N25-I27 PolarHBondContact O-N 2.79Å
26D66.3Low75.4Confident176 Ų176117.5 Ų117.594%0.94158%0.581SS**  trans-64.880164.5-87.2-19.7000107.5A28D26-A28 PolarHBondContact O-N 3.25Å
27I69.8Low75.2Confident133 Ų133117.3 Ų117.368%0.68258%0.576SS**  trans-71.8114.2170.8-60.2173.3000104.6N25 N29N25-I27 HydrophobicContact CB-CG1 4.18Å; N25-I27 PolarHBondContact O-N 2.79Å; I27-N29 PolarHBondContact O-N 2.8Å
28A74.3Confident74.6Confident87 Ų87117.2 Ų117.272%0.71957%0.574SS**PPolyproline II helixtrans-52.8134.3175.500000109.4D26 L30D26-A28 PolarHBondContact O-N 3.25Å; A28-L30 PolarHBondContact O-N 3.35Å
29N76.7Confident74.3Confident65 Ų65115.6 Ų115.635%0.34857%0.573SS.*PPolyproline II helixtrans-51.3136.6174.3-79.9-17.6000109.9I27 R31 G62 I64I27-N29 PolarHBondContact O-N 2.8Å; N29-R31 WeakPolarHBondContact O-CG 3.14Å; N29-R31 PolarHBondContact O-N 3.36Å; N29-G62 PolarHBondContact ND2-O 3.28Å; N29-I64 WeakPolarHBondContact CA-O 3.34Å; N29-I64 HydrophobicContact CB-CB 4.04Å; N29-I64 HydrophobicContact CB-CD1 4.44Å; N29-I64 PolarHBondContact OD1-N 3.04Å
30L77.1Confident74.2Confident39 Ų39113.1 Ų113.120%0.20457%0.569CS.*PPolyproline II helixtrans-57.8142.8174.3-76.8106000110.1A28 V36 V53 I56 I64 K65A28-L30 PolarHBondContact O-N 3.35Å; L30-V36 HydrophobicContact CD2-CG2 3.43Å; L30-V36 VanDerWaalsContact CD2-CG2 3.43Å; L30-V53 HydrophobicContact CD2-CG2 3.81Å; L30-I56 HydrophobicContact CB-CD1 4.46Å; L30-I56 WeakPolarHBondContact O-CD1 3.2Å; L30-I64 HydrophobicContact CB-CG2 4.19Å; L30-I64 PolarHBondContact N-O 3.24Å; L30-K65 WeakPolarHBondContact CD1-OXT 3.45Å
31R78.9Confident74Confident184 Ų184114.6 Ų114.669%0.69459%0.587SS**  trans-124149.6176.6-55.1-17884.2-170.65.7109.8N29 G33 N34N29-R31 WeakPolarHBondContact O-CG 3.14Å; N29-R31 PolarHBondContact O-N 3.36Å; R31-G33 PolarHBondContact O-N 3.18Å; R31-N34 PolarHBondContact N-OD1 2.93Å; R31-N34 VanDerWaalsContact N-OD1 3.13Å; R31-N34 VanDerWaalsContact O-CB 3.29Å; R31-N34 WeakPolarHBondContact O-CB 3.27Å; R31-N34 VanDerWaalsContact O-CG 3.27Å; R31-N34 PolarHBondContact O-N 2.98Å
32V83.2Confident73.9Confident97 Ų97113.9 Ų113.959%0.58859%0.59SS**THydrogen-bonded Turntrans-56.3132.6175.3178.70000108.4I56V32-I56 HydrophobicContact CG2-CD1 3.92Å; V32-I56 HydrophobicContact CG2-CG1 4.37Å; V32-I56 VanDerWaalsContact N-CD1 3.26Å
33G82.2Confident73.5Confident39 Ų39111.6 Ų111.640%0.40258%0.576SS.*THydrogen-bonded Turntrans90.3-5.1-175.300000115.3R31 V53R31-G33 PolarHBondContact O-N 3.18Å; G33-V53 PolarHBondContact N-O 3.15Å
34N80.5Confident73.4Confident72 Ų72109.6 Ų109.639%0.38558%0.579SS.*  trans-70.6141.7170.8-68.5176.1000110.6R31 V53R31-N34 PolarHBondContact N-OD1 2.93Å; R31-N34 VanDerWaalsContact N-OD1 3.13Å; R31-N34 VanDerWaalsContact O-CB 3.29Å; R31-N34 WeakPolarHBondContact O-CB 3.27Å; R31-N34 VanDerWaalsContact O-CG 3.27Å; R31-N34 PolarHBondContact O-N 2.98Å; N34-V53 PolarHBondContact O-N 3.43Å
35F80.9Confident73.5Confident165 Ų165109.7 Ų109.772%0.72460%0.596SS**EExtended strand (participates in β ladder)trans-82.2127.9173.1-74.7-84.3000109.3T52F35-T52 WeakPolarHBondContact CE1-OG1 3.29Å
36V78.4Confident73.6Confident55 Ų55106.7 Ų106.733%0.33359%0.592SS.*EExtended strand (participates in β ladder)trans-127.8138.5179.9-176.40000107.9L30 Q51 V53L30-V36 HydrophobicContact CD2-CG2 3.43Å; L30-V36 VanDerWaalsContact CD2-CG2 3.43Å; V36-Q51 PolarHBondContact N-O 3.42Å; V36-Q51 PolarHBondContact O-N 2.89Å; V36-Q51 VanDerWaalsContact O-O 3.08Å; V36-V53 HydrophobicContact CB-CG2 4.43Å; V36-V53 HydrophobicContact CG2-CG2 3.42Å; V36-V53 VanDerWaalsContact CG2-CG2 3.42Å
37L78Confident73.6Confident97 Ų97105.3 Ų105.351%0.50858%0.582SS.*EExtended strand (participates in β ladder)trans-88.7118.1170.2-63.6-180000107.7F48L37-F48 HydrophobicContact CB-CB 4.34Å; L37-F48 HydrophobicContact CD1-CB 4.12Å; L37-F48 HydrophobicContact CD1-CG 4.21Å; L37-F48 HydrophobicContact CD2-CB 3.92Å; L37-F48 HydrophobicContact CG-CB 4.34Å
38M73Confident73.5Confident106 Ų106104.5 Ų104.552%0.52257%0.574SS.*EExtended strand (participates in β ladder)trans-83.3119.6170.1-163.2171.8-74.800107D49M38-D49 PolarHBondContact N-O 3.36Å
39V72.8Confident73.4Confident101 Ų101104 Ų10461%0.61256%0.559SS**  trans-107.3101.3175.6-1720000106.6F48V39-F48 HydrophobicContact CG2-CD1 3.89Å; V39-F48 HydrophobicContact CG2-CE1 4.07Å
40E71.3Confident73.4Confident121 Ų121104.6 Ų104.657%0.56557%0.568SS**  trans-87.3134.1171.5-161.1172.2-169.300109.2S42 E43E40-S42 VanDerWaalsContact CG-OG 3.32Å; E40-S42 WeakPolarHBondContact CG-OG 3.46Å; E40-S42 PolarHBondContact O-N 3.45Å; E40-E43 HydrophobicContact CB-CG 4.26Å; E40-E43 PolarHBondContact O-N 3.35Å
41L68.8Low73.4Confident184 Ų184106.8 Ų106.896%0.96358%0.577SS**THydrogen-bonded Turntrans-60.4-16.9-178.3-78.4156.5000113.3
42S68.5Low73.7Confident90 Ų90101.1 Ų101.163%0.62956%0.563SS**THydrogen-bonded Turntrans-83.1-13.917850.10000114.1E40E40-S42 VanDerWaalsContact CG-OG 3.32Å; E40-S42 WeakPolarHBondContact CG-OG 3.46Å; E40-S42 PolarHBondContact O-N 3.45Å
43E61.4Low73.6Confident75 Ų7597.7 Ų97.735%0.3554%0.542SS..SBendtrans-80.9141.7-177.8-67.7-177.2154.700111.3E40 V45E40-E43 HydrophobicContact CB-CG 4.26Å; E40-E43 PolarHBondContact O-N 3.35Å; E43-V45 PolarHBondContact O-N 3.43Å
44D67.2Low73.4Confident143 Ų143102.1 Ų102.177%0.76556%0.561SS**  trans-58.4132172.2-75.8-36000109.4G46 M47D44-G46 PolarHBondContact O-N 2.78Å; D44-M47 PolarHBondContact O-N 3.23Å
45V68.5Low73.3Confident159 Ų159108.5 Ų108.596%0.96458%0.58SS**THydrogen-bonded Turntrans-50.8111-178.7177.70000109.9E43E43-V45 PolarHBondContact O-N 3.43Å
46G68Low73.2Confident52 Ų52102.6 Ų102.654%0.53656%0.556SS.*THydrogen-bonded Turntrans120.7-7.2173.200000115.7D44D44-G46 PolarHBondContact O-N 2.78Å
47M66.2Low72.9Confident147 Ų147105.2 Ų105.272%0.72457%0.572SS**  trans-96.6123.3164.2-57.4-157.99600108.3D44D44-M47 PolarHBondContact O-N 3.23Å
48F67.7Low72.8Confident117 Ų117106.6 Ų106.651%0.51358%0.579SS.*  trans-120.4117.6176-58.1-68.8000107.5L37 V39 S50L37-F48 HydrophobicContact CB-CB 4.34Å; L37-F48 HydrophobicContact CD1-CB 4.12Å; L37-F48 HydrophobicContact CD1-CG 4.21Å; L37-F48 HydrophobicContact CD2-CB 3.92Å; L37-F48 HydrophobicContact CG-CB 4.34Å; V39-F48 HydrophobicContact CG2-CD1 3.89Å; V39-F48 HydrophobicContact CG2-CE1 4.07Å; F48-S50 PolarHBondContact O-N 2.74Å
49D71.4Confident72.7Confident77 Ų77104.4 Ų104.441%0.41258%0.575SS.*EExtended strand (participates in β ladder)trans-75117.4172.1-170.433.4000109.3M38 Q51M38-D49 PolarHBondContact N-O 3.36Å; D49-Q51 WeakPolarHBondContact OD2-CG 3.46Å; D49-Q51 PolarHBondContact OD2-NE2 2.97Å
50S76.9Confident72.7Confident76 Ų76106 Ų10653%0.53159%0.587SS.*EExtended strand (participates in β ladder)trans-88.9114.9178.265.30000109.4F48F48-S50 PolarHBondContact O-N 2.74Å
51Q76.8Confident72.9Confident86 Ų86107 Ų10740%0.40260%0.597SS.*EExtended strand (participates in β ladder)trans-119.9157.3177.3-61.9-169.331.500111.2V36 D49V36-Q51 PolarHBondContact N-O 3.42Å; V36-Q51 PolarHBondContact O-N 2.89Å; V36-Q51 VanDerWaalsContact O-O 3.08Å; D49-Q51 WeakPolarHBondContact OD2-CG 3.46Å; D49-Q51 PolarHBondContact OD2-NE2 2.97Å
52T85.3Confident72.8Confident65 Ų65100.5 Ų100.540%0.39957%0.574SS.*EExtended strand (participates in β ladder)trans-100.3134.1174.7-56.10000109.3F35 V54F35-T52 WeakPolarHBondContact CE1-OG1 3.29Å; T52-V54 WeakPolarHBondContact O-CG2 3.34Å; T52-V54 PolarHBondContact O-N 3.13Å
53V81.7Confident72.7Confident25 Ų25100.8 Ų100.815%0.15257%0.567CS.*  trans-63.5110.2176.7179.90000109.8L30 G33 N34 V36 I56L30-V53 HydrophobicContact CD2-CG2 3.81Å; G33-V53 PolarHBondContact N-O 3.15Å; N34-V53 PolarHBondContact O-N 3.43Å; V36-V53 HydrophobicContact CB-CG2 4.43Å; V36-V53 HydrophobicContact CG2-CG2 3.42Å; V36-V53 VanDerWaalsContact CG2-CG2 3.42Å; V53-I56 HydrophobicContact CG1-CD1 3.99Å; V53-I56 HydrophobicContact CG1-CG1 3.62Å
54V79.3Confident72.9Confident131 Ų13198.5 Ų98.579%0.79456%0.557SS**  trans-84.5-37.2179.8-179.10000111.5T52T52-V54 WeakPolarHBondContact O-CG2 3.34Å; T52-V54 PolarHBondContact O-N 3.13Å
55R76.9Confident72.7Confident207 Ų207102.1 Ų102.178%0.78157%0.566SS**  trans-146.6143.2-176.4-165.5175.976.8-149.22.8110.9
56I78.5Confident72.9Confident41 Ų4199.3 Ų99.321%0.2155%0.546CS..  trans-120.3140.8174.3-71.4160000107.9L30 V32 V53 I64L30-I56 HydrophobicContact CB-CD1 4.46Å; L30-I56 WeakPolarHBondContact O-CD1 3.2Å; V32-I56 HydrophobicContact CG2-CD1 3.92Å; V32-I56 HydrophobicContact CG2-CG1 4.37Å; V32-I56 VanDerWaalsContact N-CD1 3.26Å; V53-I56 HydrophobicContact CG1-CD1 3.99Å; V53-I56 HydrophobicContact CG1-CG1 3.62Å; I56-I64 HydrophobicContact CB-CG2 4.46Å; I56-I64 HydrophobicContact CG1-CG2 4.35Å; I56-I64 HydrophobicContact CG2-CB 4.34Å; I56-I64 HydrophobicContact CG2-CD1 3.78Å; I56-I64 HydrophobicContact CG2-CG1 4.14Å; I56-I64 HydrophobicContact CG2-CG2 3.33Å
57T73.3Confident73.2Confident110 Ų110101.7 Ų101.768%0.67555%0.547SS*.  trans-110.6121.2171.4-51.50000107.5S59T57-S59 PolarHBondContact O-N 3.45Å
58D74.6Confident73.6Confident125 Ų12599.2 Ų99.267%0.66854%0.537SS*.  trans-71.2125.6179.7-61.6-44.5000110.2I64D58-I64 WeakPolarHBondContact OD1-CD1 3.47Å
59S72.2Confident73.9Confident60 Ų6098.2 Ų98.242%0.4254%0.538SS..  trans-81.6147.9168.1-65.10000109.6T57 D61 G62T57-S59 PolarHBondContact O-N 3.45Å; S59-D61 PolarHBondContact O-N 2.9Å; S59-G62 PolarHBondContact O-N 3.22Å
60P72.6Confident74.1Confident136 Ų13699.5 Ų99.588%0.88355%0.546SS*.THydrogen-bonded Turntrans-54.3-27.8176.5-26.634.8000114.1G62P60-G62 PolarHBondContact O-N 3.24Å
61D75.5Confident73.9Confident142 Ų142101.1 Ų101.176%0.75955%0.547SS*.THydrogen-bonded Turntrans-75-4.6179.3-58-35.2000113.5S59 I63S59-D61 PolarHBondContact O-N 2.9Å; D61-I63 PolarHBondContact O-N 3.41Å; D61-I63 VanDerWaalsContact O-N 3.17Å
62G66Low73.7Confident47 Ų47102.1 Ų102.149%0.48556%0.557SS.*SBendtrans71.12.3-179.400000114.9N29 S59 P60N29-G62 PolarHBondContact ND2-O 3.28Å; S59-G62 PolarHBondContact O-N 3.22Å; P60-G62 PolarHBondContact O-N 3.24Å
63I67.2Low72.8Confident96 Ų96105 Ų10549%0.49257%0.57SS.*  trans-95.8123.1177.9-60.2174.8000108.9D61 K65D61-I63 PolarHBondContact O-N 3.41Å; D61-I63 VanDerWaalsContact O-N 3.17Å; I63-K65 HydrophobicContact CG2-CD 4.27Å; I63-K65 HydrophobicContact CG2-CG 3.95Å
64I64.3Low72Confident27 Ų27111.7 Ų111.714%0.13860%0.604CS.*  trans-117.9106.7-178.9-57.4164.5000107.3N29 L30 I56 D58N29-I64 WeakPolarHBondContact CA-O 3.34Å; N29-I64 HydrophobicContact CB-CB 4.04Å; N29-I64 HydrophobicContact CB-CD1 4.44Å; N29-I64 PolarHBondContact OD1-N 3.04Å; L30-I64 HydrophobicContact CB-CG2 4.19Å; L30-I64 PolarHBondContact N-O 3.24Å; I56-I64 HydrophobicContact CB-CG2 4.46Å; I56-I64 HydrophobicContact CG1-CG2 4.35Å; I56-I64 HydrophobicContact CG2-CB 4.34Å; I56-I64 HydrophobicContact CG2-CD1 3.78Å; I56-I64 HydrophobicContact CG2-CG1 4.14Å; I56-I64 HydrophobicContact CG2-CG2 3.33Å; D58-I64 WeakPolarHBondContact OD1-CD1 3.47Å
65K64.1Low71.4Confident218 Ų218109.9 Ų109.995%0.94859%0.587SS**  trans-114.50-179-74.9-179.9-178.6-178.60111.9L30 I63L30-K65 WeakPolarHBondContact CD1-OXT 3.45Å; I63-K65 HydrophobicContact CG2-CD 4.27Å; I63-K65 HydrophobicContact CG2-CG 3.95Å

Retrieved 65 of 65 residues in 12.8 ms (Link to these results)