A0A3Q0KEA6_SCHMA Loading...

DNA-directed RNA polymerase subunit

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A3Q0KEA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 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
1M60.6Low67.4Low187 Ų18799.7 Ų99.792%0.92153%0.533SS*.  0142.20-65.1-152.1-72.600108.3N12M1-N12 PolarHBondContact O-N 3.14Å
2I67.1Low68.5Low110 Ų11096.1 Ų96.156%0.56451%0.513SS*.EExtended strand (participates in β ladder)trans-92125.8177-59.6145000107.3E4 Y9 S10 L11I2-E4 HydrophobicContact CG2-CG 4.29Å; I2-Y9 HydrophobicContact CG2-CD1 4.11Å; I2-S10 WeakPolarHBondContact CA-O 3.49Å; I2-L11 HydrophobicContact CB-CD2 4.49Å; I2-L11 HydrophobicContact CD1-CD2 4.44Å; I2-L11 HydrophobicContact CG1-CD2 3.47Å; I2-L11 VanDerWaalsContact CG1-CD2 3.47Å
3E66.9Low69.5Low102 Ų10291.9 Ų91.948%0.47750%0.495SS..EExtended strand (participates in β ladder)trans-105.3122.9171.2-169.1169.672.900108.6S10 R21E3-S10 PolarHBondContact N-O 3.29Å; E3-S10 VanDerWaalsContact N-O 3.17Å; E3-S10 PolarHBondContact O-N 3.44Å; E3-S10 PolarHBondContact O-OG 2.91Å; E3-R21 IonicContact OE1-CZ 3.67Å; E3-R21 IonicContact OE1-NH1 2.82Å; E3-R21 PolarHBondContact OE1-NH1 3.3Å; E3-R21 IonicContact OE1-NH2 3.53Å
4E66.9Low70.3Confident147 Ų14794.1 Ų94.169%0.68752%0.521SS*.EExtended strand (participates in β ladder)trans-96.5120.4-175.3-60.7-17894.200109.3I2 Y9I2-E4 HydrophobicContact CG2-CG 4.29Å; E4-Y9 HydrophobicContact CG-CD1 4.09Å; E4-Y9 HydrophobicContact CG-CE1 3.97Å
5S56.9Low71.1Confident69 Ų6990.5 Ų90.548%0.48351%0.509SS..EExtended strand (participates in β ladder)trans-124.7153.7163.8-59.60000107.8H7 C8S5-H7 PolarHBondContact O-N 3.15Å; S5-C8 PolarHBondContact N-O 3.23Å; S5-C8 PolarHBondContact O-N 3.14Å
6A63.6Low71.8Confident99 Ų9993.4 Ų93.482%0.81853%0.532SS*.THydrogen-bonded Turntrans-43.3-23.7-162.800000118
7H61.9Low72.5Confident170 Ų17097.4 Ų97.479%0.78755%0.55SS*.THydrogen-bonded Turntrans-138.85.6177.6-68.292.3000114.7S5S5-H7 PolarHBondContact O-N 3.15Å
8C67.9Low73.1Confident67 Ų6794.9 Ų94.945%0.45354%0.539SS..EExtended strand (participates in β ladder)trans-138.1121.1-174.6-62.70000109.8S5S5-C8 PolarHBondContact N-O 3.23Å; S5-C8 PolarHBondContact O-N 3.14Å
9Y72.9Confident73.4Confident73 Ų7396.5 Ų96.529%0.28656%0.557SS.*EExtended strand (participates in β ladder)trans-93.9138.2167.2-63.9-89.5000108.1I2 E4 V24 P27I2-Y9 HydrophobicContact CG2-CD1 4.11Å; E4-Y9 HydrophobicContact CG-CD1 4.09Å; E4-Y9 HydrophobicContact CG-CE1 3.97Å; Y9-V24 VanDerWaalsContact CB-CG2 3.46Å; Y9-V24 PolarHBondContact N-O 2.7Å; Y9-V24 PolarHBondContact O-N 2.93Å; Y9-P27 HydrophobicContact CD1-CG 4.41Å; Y9-P27 VanDerWaalsContact CD2-CD 3.47Å; Y9-P27 HydrophobicContact CD2-CG 4.06Å; Y9-P27 HydrophobicContact CE1-CG 4.06Å; Y9-P27 HydrophobicContact CE2-CG 3.67Å; Y9-P27 HydrophobicContact CG-CG 4.4Å
10S78.7Confident74Confident0 Ų098.4 Ų98.40%056%0.555CS.*EExtended strand (participates in β ladder)trans-128.6134.517564.30000111.3I2 E3 R21 W22I2-S10 WeakPolarHBondContact CA-O 3.49Å; E3-S10 PolarHBondContact N-O 3.29Å; E3-S10 VanDerWaalsContact N-O 3.17Å; E3-S10 PolarHBondContact O-N 3.44Å; E3-S10 PolarHBondContact O-OG 2.91Å; S10-R21 VanDerWaalsContact CB-NE 3.25Å; S10-R21 PolarHBondContact OG-NE 3.46Å; S10-R21 PolarHBondContact OG-NH1 3.17Å; S10-R21 PolarHBondContact OG-NH2 3.47Å; S10-W22 CarbonylContact C-O 3.48Å; S10-W22 WeakPolarHBondContact CA-O 3.33Å
11L78.3Confident74.5Confident73 Ų7397.7 Ų97.738%0.38254%0.544SS..EExtended strand (participates in β ladder)trans-97.7116.8172.4-55.1-178.2000107.7I2 W22 V24I2-L11 HydrophobicContact CB-CD2 4.49Å; I2-L11 HydrophobicContact CD1-CD2 4.44Å; I2-L11 HydrophobicContact CG1-CD2 3.47Å; I2-L11 VanDerWaalsContact CG1-CD2 3.47Å; L11-W22 HydrophobicContact CB-CB 4.39Å; L11-W22 HydrophobicContact CB-CE3 4.48Å; L11-W22 PolarHBondContact N-O 3.22Å; L11-W22 PolarHBondContact O-N 2.87Å; L11-V24 HydrophobicContact CD1-CG1 4.15Å; L11-V24 HydrophobicContact CG-CG1 4.29Å
12N80.2Confident75.4Confident56 Ų5694.3 Ų94.330%0.29952%0.521SS..EExtended strand (participates in β ladder)trans-89134.7170.1-63.3-45.3000109.4M1 S14 R21M1-N12 PolarHBondContact O-N 3.14Å; N12-S14 PolarHBondContact O-N 2.82Å; N12-R21 WeakPolarHBondContact OD1-CG 3.2Å
13C81.7Confident76.1Confident42 Ų4295.9 Ų95.928%0.28452%0.524SS..PPolyproline II helixtrans-53.8137.1173.5-169.90000110.2A15 C18 Y20 W22C13-A15 PolarHBondContact O-N 3.31Å; C13-C18 HydrophobicContact CB-CB 3.83Å; C13-C18 VanDerWaalsContact CB-SG 3.56Å; C13-Y20 PolarHBondContact N-O 2.94Å; C13-Y20 VanDerWaalsContact N-O 3.14Å; C13-W22 HydrophobicContact CB-CH2 4.08Å; C13-W22 HydrophobicContact CB-CZ3 3.72Å
14S80.5Confident76.9Confident122 Ų12293.3 Ų93.385%0.85352%0.515SS*.SBendtrans-77.2-6.2-175.899.60000113.7N12N12-S14 PolarHBondContact O-N 2.82Å
15A83.2Confident77.2Confident41 Ų4192.5 Ų92.534%0.33952%0.52SS..SBendtrans-79.3135.5-179.700000110.7C13 I17 C18C13-A15 PolarHBondContact O-N 3.31Å; A15-I17 PolarHBondContact O-N 3.33Å; A15-I17 VanDerWaalsContact O-N 3.14Å; A15-C18 HydrophobicContact CB-CB 3.84Å; A15-C18 PolarHBondContact O-N 3.48Å; A15-C18 VanDerWaalsContact O-N 3.15Å
16P81.6Confident77.9Confident136 Ų13697.1 Ų97.188%0.88353%0.534SS*.THydrogen-bonded Turntrans-65.8-20.8-170.424.4-34.3000114.8
17I82.9Confident78.4Confident161 Ų16195.1 Ų95.183%0.82651%0.513SS*.THydrogen-bonded Turntrans-105.3-1.8-179.661.7165.6000113.4A15A15-I17 PolarHBondContact O-N 3.33Å; A15-I17 VanDerWaalsContact O-N 3.14Å
18C84.1Confident79Confident53 Ų5395.8 Ų95.836%0.35852%0.521SS..  trans-92.6111.7-170.8-172.10000110.4C13 A15 Y20C13-C18 HydrophobicContact CB-CB 3.83Å; C13-C18 VanDerWaalsContact CB-SG 3.56Å; A15-C18 HydrophobicContact CB-CB 3.84Å; A15-C18 PolarHBondContact O-N 3.48Å; A15-C18 VanDerWaalsContact O-N 3.15Å; C18-Y20 PolarHBondContact O-N 2.8Å; C18-Y20 WeakPolarHBondContact SG-CB 3.46Å
19S78.4Confident79.5Confident126 Ų12698.2 Ų98.288%0.88153%0.534SS*.  trans-78.59.1176.6-45.20000113.7R21S19-R21 PolarHBondContact O-N 3.2Å
20Y85.9Confident79.7Confident134 Ų134102.2 Ų102.253%0.52556%0.559SS.*  trans-78.1123.2-174.6-152.3-75.5000111.1C13 C18 W22C13-Y20 PolarHBondContact N-O 2.94Å; C13-Y20 VanDerWaalsContact N-O 3.14Å; C18-Y20 PolarHBondContact O-N 2.8Å; C18-Y20 WeakPolarHBondContact SG-CB 3.46Å; Y20-W22 AromaticContact CD1-CD2 3.51Å; Y20-W22 HydrophobicContact CD1-CD2 3.51Å; Y20-W22 AromaticContact CD1-CE2 3.19Å; Y20-W22 AromaticContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CG 4.16Å; Y20-W22 AromaticContact CD1-CH2 3.59Å; Y20-W22 HydrophobicContact CD1-CH2 3.59Å; Y20-W22 AromaticContact CD1-CZ2 3.22Å; Y20-W22 HydrophobicContact CD1-CZ2 3.22Å; Y20-W22 AromaticContact CD1-CZ3 3.91Å; Y20-W22 HydrophobicContact CD1-CZ3 3.91Å; Y20-W22 AromaticContact CD1-NE1 3.71Å; Y20-W22 AromaticContact CE1-CD1 3.54Å; Y20-W22 AromaticContact CE1-CD2 3.65Å; Y20-W22 HydrophobicContact CE1-CD2 3.65Å; Y20-W22 AromaticContact CE1-CE2 3.12Å; Y20-W22 HydrophobicContact CE1-CE3 4.45Å; Y20-W22 AromaticContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CH2 4.33Å; Y20-W22 AromaticContact CE1-CZ2 3.52Å; Y20-W22 HydrophobicContact CE1-CZ2 3.52Å; Y20-W22 AromaticContact CE1-NE1 3.09Å; Y20-W22 HydrophobicContact CG-CH2 4.14Å; Y20-W22 AromaticContact CG-CZ2 4Å; Y20-W22 HydrophobicContact CG-CZ2 4Å; Y20-W22 AromaticContact CZ-NE1 3.94Å
21R83.7Confident79.6Confident83 Ų83110 Ų11031%0.31360%0.596SS.*EExtended strand (participates in β ladder)trans-121.2124.1177.9178.7172.9174.1125.3-7.3109.1E3 S10 N12 S19 F23E3-R21 IonicContact OE1-CZ 3.67Å; E3-R21 IonicContact OE1-NH1 2.82Å; E3-R21 PolarHBondContact OE1-NH1 3.3Å; E3-R21 IonicContact OE1-NH2 3.53Å; S10-R21 VanDerWaalsContact CB-NE 3.25Å; S10-R21 PolarHBondContact OG-NE 3.46Å; S10-R21 PolarHBondContact OG-NH1 3.17Å; S10-R21 PolarHBondContact OG-NH2 3.47Å; N12-R21 WeakPolarHBondContact OD1-CG 3.2Å; S19-R21 PolarHBondContact O-N 3.2Å; R21-F23 HydrophobicContact CG-CE1 4.43Å; R21-F23 HydrophobicContact CG-CE2 4.36Å; R21-F23 HydrophobicContact CG-CZ 4.15Å; R21-F23 VanDerWaalsContact NE-CE1 3.31Å
22W80.9Confident79.4Confident116 Ų116115 Ų11544%0.43962%0.617SS.*EExtended strand (participates in β ladder)trans-99.9129.6172.1-64.4-92.3000109.6S10 L11 C13 Y20S10-W22 CarbonylContact C-O 3.48Å; S10-W22 WeakPolarHBondContact CA-O 3.33Å; L11-W22 HydrophobicContact CB-CB 4.39Å; L11-W22 HydrophobicContact CB-CE3 4.48Å; L11-W22 PolarHBondContact N-O 3.22Å; L11-W22 PolarHBondContact O-N 2.87Å; C13-W22 HydrophobicContact CB-CH2 4.08Å; C13-W22 HydrophobicContact CB-CZ3 3.72Å; Y20-W22 AromaticContact CD1-CD2 3.51Å; Y20-W22 HydrophobicContact CD1-CD2 3.51Å; Y20-W22 AromaticContact CD1-CE2 3.19Å; Y20-W22 AromaticContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CE3 3.87Å; Y20-W22 HydrophobicContact CD1-CG 4.16Å; Y20-W22 AromaticContact CD1-CH2 3.59Å; Y20-W22 HydrophobicContact CD1-CH2 3.59Å; Y20-W22 AromaticContact CD1-CZ2 3.22Å; Y20-W22 HydrophobicContact CD1-CZ2 3.22Å; Y20-W22 AromaticContact CD1-CZ3 3.91Å; Y20-W22 HydrophobicContact CD1-CZ3 3.91Å; Y20-W22 AromaticContact CD1-NE1 3.71Å; Y20-W22 AromaticContact CE1-CD1 3.54Å; Y20-W22 AromaticContact CE1-CD2 3.65Å; Y20-W22 HydrophobicContact CE1-CD2 3.65Å; Y20-W22 AromaticContact CE1-CE2 3.12Å; Y20-W22 HydrophobicContact CE1-CE3 4.45Å; Y20-W22 AromaticContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CG 3.88Å; Y20-W22 HydrophobicContact CE1-CH2 4.33Å; Y20-W22 AromaticContact CE1-CZ2 3.52Å; Y20-W22 HydrophobicContact CE1-CZ2 3.52Å; Y20-W22 AromaticContact CE1-NE1 3.09Å; Y20-W22 HydrophobicContact CG-CH2 4.14Å; Y20-W22 AromaticContact CG-CZ2 4Å; Y20-W22 HydrophobicContact CG-CZ2 4Å; Y20-W22 AromaticContact CZ-NE1 3.94Å
23F81.9Confident79.2Confident143 Ų143121.2 Ų121.263%0.62764%0.641SS**EExtended strand (participates in β ladder)trans-90.8129.4170.8-60.4-84.7000108.7R21R21-F23 HydrophobicContact CG-CE1 4.43Å; R21-F23 HydrophobicContact CG-CE2 4.36Å; R21-F23 HydrophobicContact CG-CZ 4.15Å; R21-F23 VanDerWaalsContact NE-CE1 3.31Å
24V82.2Confident78.4Confident49 Ų49124.9 Ų124.930%0.29766%0.664SS.*EExtended strand (participates in β ladder)trans-117.1134.8175-580000109.4Y9 L11Y9-V24 VanDerWaalsContact CB-CG2 3.46Å; Y9-V24 PolarHBondContact N-O 2.7Å; Y9-V24 PolarHBondContact O-N 2.93Å; L11-V24 HydrophobicContact CD1-CG1 4.15Å; L11-V24 HydrophobicContact CG-CG1 4.29Å
25T74.2Confident77.7Confident129 Ų129130.9 Ų130.979%0.79167%0.668SS**SBendtrans-73.9-40-173.4-44.40000112.1
26Q71.3Confident76.7Confident166 Ų166137.3 Ų137.378%0.77669%0.691SS**  trans-146.8130.6-178.6-67.3-177.7-25.100110.3
27P73.8Confident75.7Confident58 Ų58136.9 Ų136.938%0.37768%0.682SS.*  trans-74.4133.7168.730.8-31.5000108.8Y9 V29Y9-P27 HydrophobicContact CD1-CG 4.41Å; Y9-P27 VanDerWaalsContact CD2-CD 3.47Å; Y9-P27 HydrophobicContact CD2-CG 4.06Å; Y9-P27 HydrophobicContact CE1-CG 4.06Å; Y9-P27 HydrophobicContact CE2-CG 3.67Å; Y9-P27 HydrophobicContact CG-CG 4.4Å; P27-V29 PolarHBondContact O-N 3.1Å; P27-V29 VanDerWaalsContact O-N 3.1Å
28L75.8Confident74.6Confident183 Ų183135.2 Ų135.296%0.95868%0.679SS**  trans-72.7100.1168.3-86.8151.2000108.5
29V76.8Confident73.3Confident118 Ų118142.9 Ų142.972%0.71570%0.7SS**  trans-86.2107.2167.5-67.20000108.2P27 E31P27-V29 PolarHBondContact O-N 3.1Å; P27-V29 VanDerWaalsContact O-N 3.1Å; V29-E31 PolarHBondContact O-N 3.18Å
30L77.4Confident72.3Confident157 Ų157142.9 Ų142.982%0.82269%0.69SS**  trans-76.3104.4172.7-171.476.8000108.2H32L30-H32 PolarHBondContact O-N 3.2Å
31E77.3Confident70.7Confident165 Ų165144.9 Ų144.977%0.77170%0.696SS**  trans-66.6114.4174.7-56.3180101.600109.4V29 K33V29-E31 PolarHBondContact O-N 3.18Å; E31-K33 PolarHBondContact O-N 2.97Å
32H73.9Confident69.6Low177 Ų177145.9 Ų145.982%0.81971%0.707SS**  trans-68.496.4168.3-105.5-124.4000108.3L30 P34L30-H32 PolarHBondContact O-N 3.2Å; H32-P34 WeakPolarHBondContact O-CD 3.43Å
33K75.4Confident68.4Low187 Ų187149 Ų14981%0.81373%0.727SS**  trans-60.1122.8168.1-70.3-170.4178.4-177.60107.9E31 R35E31-K33 PolarHBondContact O-N 2.97Å; K33-R35 PolarHBondContact O-N 2.9Å
34P66.3Low67.2Low118 Ų118146.5 Ų146.577%0.76672%0.717SS**  trans-57.4132.1171.924.7-32.1000107.6H32 Q36H32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-Q36 PolarHBondContact O-N 3.25Å
35R64.6Low65.8Low248 Ų248150.8 Ų150.894%0.93674%0.738SS**  trans-55.1107.1177.7-161.6177.2-179.2130.9-0.9106.9K33 D37K33-R35 PolarHBondContact O-N 2.9Å; R35-D37 PolarHBondContact O-N 3.09Å; R35-D37 VanDerWaalsContact O-N 3.09Å
36Q63.1Low64.9Low176 Ų176147.2 Ų147.282%0.82272%0.722SS**  trans-57.6119.9178.9-130.4174.6-0.400106.7P34 V38P34-Q36 PolarHBondContact O-N 3.25Å; Q36-V38 PolarHBondContact O-N 2.9Å
37D59.9Low63.9Low128 Ų128144.9 Ų144.968%0.68472%0.719SS**  trans-64101.8176.4-163.7-113.7000106.1R35 R39R35-D37 PolarHBondContact O-N 3.09Å; R35-D37 VanDerWaalsContact O-N 3.09Å; D37-R39 PolarHBondContact O-N 2.72Å; D37-R39 WeakPolarHBondContact OD1-CB 3.41Å; D37-R39 WeakPolarHBondContact OD1-CD 3.39Å
38V58.9Low62.7Low126 Ų126149.1 Ų149.176%0.76473%0.732SS**  trans-71.245.5176.3-73.10000110.3Q36 L40Q36-V38 PolarHBondContact O-N 2.9Å; V38-L40 WeakPolarHBondContact O-CD2 3.37Å; V38-L40 WeakPolarHBondContact O-CG 3.45Å; V38-L40 PolarHBondContact O-N 2.78Å
39R57.6Low61.8Low214 Ų214142.4 Ų142.481%0.80870%0.7SS**  trans-68.269.5161.2-113.8174.1148.8175.3-6.3108.2D37 R41D37-R39 PolarHBondContact O-N 2.72Å; D37-R39 WeakPolarHBondContact OD1-CB 3.41Å; D37-R39 WeakPolarHBondContact OD1-CD 3.39Å; R39-R41 PolarHBondContact O-N 2.95Å
40L56.6Low60.9Low126 Ų126139.8 Ų139.866%0.6668%0.684SS**  56.964.7123-65.5-172.3000112.7V38 L42V38-L40 WeakPolarHBondContact O-CD2 3.37Å; V38-L40 WeakPolarHBondContact O-CG 3.45Å; V38-L40 PolarHBondContact O-N 2.78Å; L40-L42 HydrophobicContact CB-CD1 3.47Å; L40-L42 VanDerWaalsContact CB-CD1 3.47Å; L40-L42 HydrophobicContact CD1-CD1 3.62Å; L40-L42 HydrophobicContact CD2-CD1 3.14Å; L40-L42 HydrophobicContact CD2-CG 4.19Å; L40-L42 HydrophobicContact CG-CD1 3.48Å; L40-L42 VanDerWaalsContact CG-CD1 3.48Å; L40-L42 PolarHBondContact O-N 2.93Å
41R53Low60Low175 Ų175137.8 Ų137.866%0.6667%0.67SS**  trans-70.834154.2-149.1170.9-177-162.7-26.3111.4R39 E43 E44R39-R41 PolarHBondContact O-N 2.95Å; R41-E43 PolarHBondContact O-N 3.27Å; R41-E44 WeakPolarHBondContact CD-OE1 3.24Å; R41-E44 VanDerWaalsContact CD-OE2 3.24Å; R41-E44 WeakPolarHBondContact CD-OE2 3.39Å; R41-E44 HydrophobicContact CG-CG 3.84Å; R41-E44 IonicContact CZ-OE1 2.95Å; R41-E44 IonicContact CZ-OE2 2.95Å; R41-E44 IonicContact NE-OE1 2.79Å; R41-E44 PolarHBondContact NE-OE1 3.15Å; R41-E44 IonicContact NE-OE2 2.61Å; R41-E44 PolarHBondContact NE-OE2 2.98Å; R41-E44 IonicContact NH1-OE2 2.92Å; R41-E44 PolarHBondContact NH1-OE2 3.32Å; R41-E44 IonicContact NH2-OE1 2.68Å; R41-E44 PolarHBondContact NH2-OE1 2.61Å; R41-E44 IonicContact NH2-OE2 3.27Å; R41-E44 PolarHBondContact NH2-OE2 2.95Å; R41-E44 PolarHBondContact O-N 2.95Å; R41-E44 VanDerWaalsContact O-N 3.15Å
42L60.6Low59.2Low104 Ų104135.2 Ų135.255%0.54566%0.662SS.*Hα-helixtrans-53.5-23.3-171.9-101.7126.8000113.7L40 A46L40-L42 HydrophobicContact CB-CD1 3.47Å; L40-L42 VanDerWaalsContact CB-CD1 3.47Å; L40-L42 HydrophobicContact CD1-CD1 3.62Å; L40-L42 HydrophobicContact CD2-CD1 3.14Å; L40-L42 HydrophobicContact CD2-CG 4.19Å; L40-L42 HydrophobicContact CG-CD1 3.48Å; L40-L42 VanDerWaalsContact CG-CD1 3.48Å; L40-L42 PolarHBondContact O-N 2.93Å; L42-A46 VanDerWaalsContact O-CB 3.28Å; L42-A46 WeakPolarHBondContact O-CB 3.48Å
43E56.2Low58.8Low182 Ų182132 Ų13285%0.8565%0.647SS**Hα-helixtrans-74-22.2-177.7-92.8129.774.500114.6R41R41-E43 PolarHBondContact O-N 3.27Å
44E56Low58.4Low90 Ų90124 Ų12442%0.42161%0.612SS.*Hα-helixtrans-102.8-31-176.873.3-173.345.200114.9R41 A46 V47R41-E44 WeakPolarHBondContact CD-OE1 3.24Å; R41-E44 VanDerWaalsContact CD-OE2 3.24Å; R41-E44 WeakPolarHBondContact CD-OE2 3.39Å; R41-E44 HydrophobicContact CG-CG 3.84Å; R41-E44 IonicContact CZ-OE1 2.95Å; R41-E44 IonicContact CZ-OE2 2.95Å; R41-E44 IonicContact NE-OE1 2.79Å; R41-E44 PolarHBondContact NE-OE1 3.15Å; R41-E44 IonicContact NE-OE2 2.61Å; R41-E44 PolarHBondContact NE-OE2 2.98Å; R41-E44 IonicContact NH1-OE2 2.92Å; R41-E44 PolarHBondContact NH1-OE2 3.32Å; R41-E44 IonicContact NH2-OE1 2.68Å; R41-E44 PolarHBondContact NH2-OE1 2.61Å; R41-E44 IonicContact NH2-OE2 3.27Å; R41-E44 PolarHBondContact NH2-OE2 2.95Å; R41-E44 PolarHBondContact O-N 2.95Å; R41-E44 VanDerWaalsContact O-N 3.15Å; E44-A46 PolarHBondContact O-N 3.28Å; E44-V47 WeakPolarHBondContact O-CG2 3.1Å; E44-V47 PolarHBondContact O-N 3.24Å
45D53.1Low58.3Low139 Ų139121.6 Ų121.674%0.74360%0.598SS**Hα-helixtrans-76.1-11.1172.7-64.2-82.1000112.4V47D45-V47 VanDerWaalsContact C-N 3.27Å; D45-V47 PolarHBondContact O-N 2.84Å
46A54.7Low58.6Low55 Ų55115.1 Ų115.146%0.45559%0.59SS.*THydrogen-bonded Turntrans-87.512.9174.400000113.4L42 E44 F48L42-A46 VanDerWaalsContact O-CB 3.28Å; L42-A46 WeakPolarHBondContact O-CB 3.48Å; E44-A46 PolarHBondContact O-N 3.28Å; A46-F48 PolarHBondContact O-N 3.05Å
47V50.4Low59.3Low116 Ų116108.1 Ų108.170%0.70356%0.561SS**  trans-69.875.6157.6-175.90000106.4E44 D45 S49E44-V47 WeakPolarHBondContact O-CG2 3.1Å; E44-V47 PolarHBondContact O-N 3.24Å; D45-V47 VanDerWaalsContact C-N 3.27Å; D45-V47 PolarHBondContact O-N 2.84Å; V47-S49 PolarHBondContact O-N 3.02Å
48F49.1Very low60.3Low148 Ų148104.7 Ų104.765%0.64955%0.551SS**  trans-50.2107.3165.6-87.5-96.4000106A46 V50 E53A46-F48 PolarHBondContact O-N 3.05Å; F48-V50 PolarHBondContact O-N 2.48Å; F48-V50 VanDerWaalsContact O-N 3.1Å; F48-E53 HydrophobicContact CD1-CG 4.42Å
49S56.3Low61.6Low41 Ų41104 Ų10429%0.28754%0.539SS..  trans-67.5120176.2-167.90000106.3V47 E51 D52V47-S49 PolarHBondContact O-N 3.02Å; S49-E51 VanDerWaalsContact CB-OE1 3.3Å; S49-E51 WeakPolarHBondContact CB-OE1 3.28Å; S49-E51 PolarHBondContact O-N 3.3Å; S49-E51 VanDerWaalsContact OG-CD 3.24Å; S49-E51 VanDerWaalsContact OG-CG 3.28Å; S49-E51 WeakPolarHBondContact OG-CG 3.28Å; S49-E51 PolarHBondContact OG-OE1 2.88Å; S49-D52 PolarHBondContact O-N 2.8Å
50V58.1Low63Low63 Ų6396.4 Ų96.438%0.38252%0.516SS..Hα-helixtrans-54.2-11.1177.7-61.60000112.5F48 Y54F48-V50 PolarHBondContact O-N 2.48Å; F48-V50 VanDerWaalsContact O-N 3.1Å; V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.3Å
51E58.1Low64.5Low116 Ų11696.1 Ų96.154%0.54252%0.516SS..Hα-helixtrans-66.7-44172.771.7-16386.600113.1S49 S55S49-E51 VanDerWaalsContact CB-OE1 3.3Å; S49-E51 WeakPolarHBondContact CB-OE1 3.28Å; S49-E51 PolarHBondContact O-N 3.3Å; S49-E51 VanDerWaalsContact OG-CD 3.24Å; S49-E51 VanDerWaalsContact OG-CG 3.28Å; S49-E51 WeakPolarHBondContact OG-CG 3.28Å; S49-E51 PolarHBondContact OG-OE1 2.88Å; E51-S55 WeakPolarHBondContact O-CB 3.21Å; E51-S55 PolarHBondContact O-N 3.45Å; E51-S55 PolarHBondContact O-OG 3.41Å
52D61.6Low65.9Low111 Ų11189 Ų8959%0.59449%0.49SS*.Hα-helixtrans-73.2-38.8-172.3-68.6-81.4000111.9S49 S55S49-D52 PolarHBondContact O-N 2.8Å; D52-S55 PolarHBondContact O-OG 2.68Å
53E64.8Low67.1Low109 Ų10992 Ų9251%0.50950%0.498SS..Hα-helixtrans-72.3-36.9-176.5-59.5-176.599.800112.5F48 S57F48-E53 HydrophobicContact CD1-CG 4.42Å; E53-S57 PolarHBondContact O-OG 3.49Å
54Y68.2Low68.6Low20 Ų2083.4 Ų83.48%0.07846%0.458CS..Hα-helixtrans-90.1-28-177.4-72.8-95.6000113.1V50 S56 S57 Y73 V75 I98V50-Y54 VanDerWaalsContact O-CD2 3.26Å; V50-Y54 WeakPolarHBondContact O-CD2 3.3Å; Y54-S56 PolarHBondContact O-N 3.19Å; Y54-S57 VanDerWaalsContact O-CB 3.26Å; Y54-S57 WeakPolarHBondContact O-CB 3.49Å; Y54-S57 PolarHBondContact O-N 2.84Å; Y54-Y73 VanDerWaalsContact O-CD1 3.23Å; Y54-Y73 WeakPolarHBondContact O-CD1 3.39Å; Y54-V75 HydrophobicContact CD1-CG1 3.95Å; Y54-V75 HydrophobicContact CD1-CG2 4.26Å; Y54-V75 HydrophobicContact CE1-CB 4.33Å; Y54-V75 HydrophobicContact CE1-CG1 3.96Å; Y54-V75 HydrophobicContact CE1-CG2 3.43Å; Y54-V75 VanDerWaalsContact CE1-CG2 3.43Å; Y54-I98 HydrophobicContact CE2-CD1 4.31Å
55S64.2Low70.1Confident66 Ų6683.5 Ų83.546%0.46247%0.467SS..Hα-helixtrans-63.3-29.4-17958.90000113.5E51 D52 S57E51-S55 WeakPolarHBondContact O-CB 3.21Å; E51-S55 PolarHBondContact O-N 3.45Å; E51-S55 PolarHBondContact O-OG 3.41Å; D52-S55 PolarHBondContact O-OG 2.68Å; S55-S57 VanDerWaalsContact C-N 3.3Å
56S70.5Confident71.7Confident112 Ų11284 Ų8478%0.78346%0.463SS*.THydrogen-bonded Turntrans-80.7-8.1173.5-172.10000113.7Y54Y54-S56 PolarHBondContact O-N 3.19Å
57S76.5Confident73.3Confident30 Ų3083.6 Ų83.621%0.2146%0.456CS..SBendtrans-82.1159.5-176.7-62.50000111.8E53 Y54 S55 Y73 F74 V75E53-S57 PolarHBondContact O-OG 3.49Å; Y54-S57 VanDerWaalsContact O-CB 3.26Å; Y54-S57 WeakPolarHBondContact O-CB 3.49Å; Y54-S57 PolarHBondContact O-N 2.84Å; S55-S57 VanDerWaalsContact C-N 3.3Å; S57-Y73 WeakPolarHBondContact O-CD1 3.23Å; S57-F74 WeakPolarHBondContact CB-O 3.44Å; S57-V75 WeakPolarHBondContact OG-CG1 3.26Å
58A82.8Confident74.9Confident56 Ų5682.6 Ų82.646%0.46345%0.454SS..PPolyproline II helixtrans-65.2141.2179.900000111.3F74A58-F74 HydrophobicContact CB-CD1 4.15Å; A58-F74 HydrophobicContact CB-CE1 3.33Å; A58-F74 HydrophobicContact CB-CZ 3.59Å; A58-F74 WeakPolarHBondContact O-CD1 3.26Å; A58-F74 PolarHBondContact O-N 3.1Å
59Q85.5Confident76.6Confident112 Ų11278.1 Ų78.152%0.52344%0.435SS..EExtended strand (participates in β ladder)trans-89.3139.9177.5-66.1178.432.900110A72 Y73 I93Q59-A72 WeakPolarHBondContact CA-O 3.48Å; Q59-Y73 HydrophobicContact CG-CD1 3.75Å; Q59-Y73 HydrophobicContact CG-CE1 3.51Å; Q59-I93 HydrophobicContact CG-CD1 4.29Å
60T87.5Confident78.1Confident53 Ų5378.9 Ų78.933%0.32544%0.438SS..EExtended strand (participates in β ladder)trans-131.8161173.8-171.70000111.2E62 R71 A72 F74 Y90T60-E62 HydrophobicContact CG2-CB 4.37Å; T60-E62 HydrophobicContact CG2-CG 3.95Å; T60-E62 WeakPolarHBondContact CG2-OE1 3.4Å; T60-E62 PolarHBondContact O-N 3.28Å; T60-R71 WeakPolarHBondContact O-CA 3.31Å; T60-A72 PolarHBondContact N-O 2.85Å; T60-A72 PolarHBondContact O-N 3.2Å; T60-F74 HydrophobicContact CG2-CB 4.39Å; T60-F74 HydrophobicContact CG2-CD1 3.92Å; T60-Y90 HydrophobicContact CG2-CE1 4.19Å
61D86.5Confident79.5Confident121 Ų12182 Ų8265%0.64744%0.443SS*.EExtended strand (participates in β ladder)trans-93.382.4179-164.9-108000110T70D61-T70 CarbonylContact C-O 3.53Å; D61-T70 VanDerWaalsContact C-O 3.26Å; D61-T70 WeakPolarHBondContact CA-O 3.2Å; D61-T70 VanDerWaalsContact OD1-CG2 3.26Å; D61-T70 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T70 WeakPolarHBondContact OD2-CB 3.5Å; D61-T70 WeakPolarHBondContact OD2-CG2 3.02Å
62E83.4Confident81Confident26 Ų2676.5 Ų76.512%0.12142%0.417CS..  trans-127.1140.9177.666.4-173.5116.300111T60 C64 H69 T70 A72 Y90 W99T60-E62 HydrophobicContact CG2-CB 4.37Å; T60-E62 HydrophobicContact CG2-CG 3.95Å; T60-E62 WeakPolarHBondContact CG2-OE1 3.4Å; T60-E62 PolarHBondContact O-N 3.28Å; E62-C64 PolarHBondContact O-N 3.18Å; E62-H69 VanDerWaalsContact O-O 3.11Å; E62-T70 CarbonylContact C-O 3.57Å; E62-T70 PolarHBondContact N-O 2.98Å; E62-T70 CarbonylContact O-C 3.59Å; E62-A72 HydrophobicContact CG-CB 3.49Å; E62-A72 VanDerWaalsContact CG-CB 3.49Å; E62-A72 WeakPolarHBondContact OE1-CB 3.36Å; E62-Y90 VanDerWaalsContact CD-CE1 3.44Å; E62-Y90 VanDerWaalsContact CD-CG 3.48Å; E62-Y90 WeakPolarHBondContact OE1-CD1 3.14Å; E62-Y90 WeakPolarHBondContact OE1-CE1 3.37Å; E62-Y90 VanDerWaalsContact OE2-CB 3.24Å; E62-Y90 WeakPolarHBondContact OE2-CB 3.48Å; E62-Y90 WeakPolarHBondContact OE2-CD1 3.28Å; E62-Y90 WeakPolarHBondContact OE2-CD2 3.39Å; E62-Y90 WeakPolarHBondContact OE2-CE1 3.37Å; E62-W99 HydrophobicContact CG-CZ2 4.04Å; E62-W99 WeakPolarHBondContact OE2-CZ2 2.78Å; E62-W99 PolarHBondContact OE2-NE1 2.84Å
63K85.9Confident82.3Confident165 Ų16573 Ų7372%0.71740%0.396SS*.  trans-80.7115.6-177.9-72.5-177.4-179.8174.50110.6H69 T70K63-H69 WeakPolarHBondContact CA-O 2.72Å; K63-T70 HydrophobicContact CG-CG2 4.39Å
64C88.3Confident83.3Confident2 Ų270.7 Ų70.71%0.01438%0.384CS..  trans-61.5127.3172.4178.60000111.1E62 K66 C67 S68 H69 C92 C95 W99E62-C64 PolarHBondContact O-N 3.18Å; C64-K66 PolarHBondContact O-N 3.42Å; C64-C67 VanDerWaalsContact SG-SG 3.65Å; C64-S68 WeakPolarHBondContact O-CA 3.02Å; C64-S68 PolarHBondContact O-N 3.38Å; C64-H69 PolarHBondContact N-O 3.37Å; C64-C92 HydrophobicContact CB-CB 4.1Å; C64-C95 VanDerWaalsContact SG-SG 3.65Å; C64-W99 HydrophobicContact CB-CH2 3.73Å; C64-W99 HydrophobicContact CB-CZ2 4.5Å; C64-W99 HydrophobicContact CB-CZ3 4.14Å
65P86.7Confident84.2Confident93 Ų9371 Ų7160%0.60439%0.388SS*.THydrogen-bonded Turntrans-65.6-21.8-178.825.5-34.8000113.6W99P65-W99 HydrophobicContact CG-CD2 4.27Å; P65-W99 HydrophobicContact CG-CE3 4.47Å; P65-W99 HydrophobicContact CG-CG 4.46Å
66K85.8Confident85.3Confident150 Ų15073.3 Ų73.365%0.65239%0.392SS*.THydrogen-bonded Turntrans-92.4-41.6-176.4-171.3177-178.1-175.80113.6C64 H97C64-K66 PolarHBondContact O-N 3.42Å; K66-H97 HydrophobicContact CD-CB 4.32Å
67C88.4Confident85.9Confident46 Ų4671.7 Ų71.731%0.31137%0.373SS..THydrogen-bonded Turntrans-121.80.1-171.972.30000114.6C64 H69 C92 C95C64-C67 VanDerWaalsContact SG-SG 3.65Å; C67-H69 PolarHBondContact O-N 3.48Å; C67-C92 PolarHBondContact SG-SG 3.12Å; C67-C95 HydrophobicContact CB-CB 4.41Å
68S84.3Confident86.3Confident95 Ų9578.3 Ų78.366%0.66440%0.401SS*.  trans56.519-178.5-550000114.7C64C64-S68 WeakPolarHBondContact O-CA 3.02Å; C64-S68 PolarHBondContact O-N 3.38Å
69H85.9Confident86.3Confident54 Ų5479.1 Ų79.125%0.2540%0.399CS..  trans-70.8138.2171.9-165.654.2000109.6E62 K63 C64 C67 R71E62-H69 VanDerWaalsContact O-O 3.11Å; K63-H69 WeakPolarHBondContact CA-O 2.72Å; C64-H69 PolarHBondContact N-O 3.37Å; C67-H69 PolarHBondContact O-N 3.48Å; H69-R71 PolarHBondContact CD2-O 2.96Å; H69-R71 VanDerWaalsContact CD2-O 3.28Å
70T87.6Confident86.2Confident56 Ų5686.3 Ų86.334%0.34442%0.422SS..SBendtrans-82.3-10.9-175.5-21.80000113.6D61 E62 K63D61-T70 CarbonylContact C-O 3.53Å; D61-T70 VanDerWaalsContact C-O 3.26Å; D61-T70 WeakPolarHBondContact CA-O 3.2Å; D61-T70 VanDerWaalsContact OD1-CG2 3.26Å; D61-T70 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T70 WeakPolarHBondContact OD2-CB 3.5Å; D61-T70 WeakPolarHBondContact OD2-CG2 3.02Å; E62-T70 CarbonylContact C-O 3.57Å; E62-T70 PolarHBondContact N-O 2.98Å; E62-T70 CarbonylContact O-C 3.59Å; K63-T70 HydrophobicContact CG-CG2 4.39Å
71R87.3Confident85.9Confident130 Ų13087.1 Ų87.149%0.49143%0.43SS..EExtended strand (participates in β ladder)trans-111.7132.9-178.9-61.3-169.4-69.2-165.4-1.2112.4T60 H69 I93T60-R71 WeakPolarHBondContact O-CA 3.31Å; H69-R71 PolarHBondContact CD2-O 2.96Å; H69-R71 VanDerWaalsContact CD2-O 3.28Å; R71-I93 HydrophobicContact CB-CD1 3.56Å; R71-I93 HydrophobicContact CB-CG1 4.32Å
72A89.1Confident85.6Confident0 Ų086.7 Ų86.70%044%0.443CS..EExtended strand (participates in β ladder)trans-142.3159.5171.500000110.9Q59 T60 E62 S91 W99Q59-A72 WeakPolarHBondContact CA-O 3.48Å; T60-A72 PolarHBondContact N-O 2.85Å; T60-A72 PolarHBondContact O-N 3.2Å; E62-A72 HydrophobicContact CG-CB 3.49Å; E62-A72 VanDerWaalsContact CG-CB 3.49Å; E62-A72 WeakPolarHBondContact OE1-CB 3.36Å; A72-S91 CarbonylContact C-O 3.51Å; A72-S91 WeakPolarHBondContact CA-O 3.41Å; A72-S91 WeakPolarHBondContact CB-O 3.49Å; A72-W99 HydrophobicContact CB-CH2 3.81Å; A72-W99 HydrophobicContact CB-CZ2 4.17Å
73Y88.6Confident85.7Confident38 Ų3892.7 Ų92.715%0.14948%0.476CS..EExtended strand (participates in β ladder)trans-89.4138.3171-61.9-67.8000109.1Y54 S57 Q59 Y90 S91 I93Y54-Y73 VanDerWaalsContact O-CD1 3.23Å; Y54-Y73 WeakPolarHBondContact O-CD1 3.39Å; S57-Y73 WeakPolarHBondContact O-CD1 3.23Å; Q59-Y73 HydrophobicContact CG-CD1 3.75Å; Q59-Y73 HydrophobicContact CG-CE1 3.51Å; Y73-Y90 CarbonylContact O-C 3.54Å; Y73-Y90 VanDerWaalsContact O-CA 3.31Å; Y73-Y90 WeakPolarHBondContact O-CA 3.19Å; Y73-S91 PolarHBondContact N-O 2.94Å; Y73-S91 PolarHBondContact O-N 3.14Å; Y73-I93 HydrophobicContact CD2-CG1 3.88Å; Y73-I93 HydrophobicContact CE1-CD1 4.37Å; Y73-I93 HydrophobicContact CE2-CB 4.18Å; Y73-I93 HydrophobicContact CE2-CD1 4.26Å; Y73-I93 HydrophobicContact CE2-CG1 3.6Å; Y73-I93 HydrophobicContact CE2-CG2 4.22Å; Y73-I93 HydrophobicContact CG-CG1 4.45Å
74F87.2Confident85.4Confident59 Ų5990.4 Ų90.426%0.25947%0.468SS..EExtended strand (participates in β ladder)trans-115.5139.117575.6-89.7000111.5S57 A58 T60 Q76 I88 K89 Y90S57-F74 WeakPolarHBondContact CB-O 3.44Å; A58-F74 HydrophobicContact CB-CD1 4.15Å; A58-F74 HydrophobicContact CB-CE1 3.33Å; A58-F74 HydrophobicContact CB-CZ 3.59Å; A58-F74 WeakPolarHBondContact O-CD1 3.26Å; A58-F74 PolarHBondContact O-N 3.1Å; T60-F74 HydrophobicContact CG2-CB 4.39Å; T60-F74 HydrophobicContact CG2-CD1 3.92Å; F74-Q76 HydrophobicContact CD2-CG 4.17Å; F74-Q76 HydrophobicContact CE2-CG 4.27Å; F74-I88 HydrophobicContact CB-CG2 4Å; F74-I88 HydrophobicContact CD2-CG2 4.39Å; F74-K89 CarbonylContact C-O 3.15Å; F74-K89 WeakPolarHBondContact CA-O 3.02Å; F74-Y90 HydrophobicContact CB-CD1 3.44Å; F74-Y90 VanDerWaalsContact CB-CD1 3.44Å; F74-Y90 HydrophobicContact CB-CE1 3.45Å; F74-Y90 VanDerWaalsContact CB-CE1 3.45Å; F74-Y90 HydrophobicContact CG-CE1 4.46Å
75V87.2Confident85.1Confident28 Ų2895.2 Ų95.217%0.1750%0.499CS..EExtended strand (participates in β ladder)trans-124.4128.2170.4-67.30000109.1Y54 S57 M77 K89Y54-V75 HydrophobicContact CD1-CG1 3.95Å; Y54-V75 HydrophobicContact CD1-CG2 4.26Å; Y54-V75 HydrophobicContact CE1-CB 4.33Å; Y54-V75 HydrophobicContact CE1-CG1 3.96Å; Y54-V75 HydrophobicContact CE1-CG2 3.43Å; Y54-V75 VanDerWaalsContact CE1-CG2 3.43Å; S57-V75 WeakPolarHBondContact OG-CG1 3.26Å; V75-M77 HydrophobicContact CG2-CE 4.11Å; V75-K89 HydrophobicContact CG2-CB 3.79Å; V75-K89 PolarHBondContact N-O 2.8Å; V75-K89 PolarHBondContact O-N 2.8Å
76Q86.2Confident85Confident113 Ų11393.9 Ų93.953%0.52849%0.492SS..EExtended strand (participates in β ladder)trans-89.4113175-62.4-176.4-38.400108.3F74 I88F74-Q76 HydrophobicContact CD2-CG 4.17Å; F74-Q76 HydrophobicContact CE2-CG 4.27Å; Q76-I88 HydrophobicContact CG-CD1 4.36Å; Q76-I88 HydrophobicContact CG-CG1 4.2Å
77M83.9Confident85.1Confident79 Ų7989.3 Ų89.339%0.38948%0.477SS..EExtended strand (participates in β ladder)trans-97.7114.8174-69.7-171.4-177.900109.2V75 T87 K89V75-M77 HydrophobicContact CG2-CE 4.11Å; M77-T87 PolarHBondContact N-O 2.94Å; M77-T87 PolarHBondContact O-N 2.84Å; M77-K89 HydrophobicContact CE-CD 3.75Å; M77-K89 HydrophobicContact SD-CD 3.62Å; M77-K89 WeakPolarHBondContact SD-CE 3.21Å; M77-K89 HydrophobicContact SD-CG 4.38Å; M77-K89 PolarHBondContact SD-NZ 3.23Å
78Q84.4Confident85.1Confident169 Ų16988.7 Ų88.779%0.7947%0.47SS*.  trans-91.6124.9171.735.1-163.579.600108.7
79T82Confident85.4Confident72 Ų7287.4 Ų87.444%0.44245%0.452SS..  trans-78.7165.8172.969.90000109.4S81 E84T79-S81 PolarHBondContact O-N 3.03Å; T79-S81 VanDerWaalsContact O-N 3.12Å; T79-E84 WeakPolarHBondContact OG1-CB 3.26Å
80R83.2Confident85.5Confident263 Ų26386.3 Ų86.399%0.99245%0.446SS*.SBendtrans-60.5-23.6-175.3-68.8-171.7178.3-161.1-0113.6
81S82.2Confident85.5Confident70 Ų7083.7 Ų83.749%0.4943%0.43SS..  trans-90.3120.9-178.5-66.40000109.5T79 D83 E84T79-S81 PolarHBondContact O-N 3.03Å; T79-S81 VanDerWaalsContact O-N 3.12Å; S81-D83 PolarHBondContact O-N 3.41Å; S81-D83 VanDerWaalsContact O-N 3.14Å; S81-E84 PolarHBondContact O-N 2.81Å
82A79.7Confident85.6Confident113 Ų11377.5 Ų77.593%0.93441%0.407SS*.THydrogen-bonded Turntrans-64.7-11.9172.100000113.4
83D85.1Confident85.4Confident151 Ų15179.5 Ų79.581%0.80742%0.417SS*.THydrogen-bonded Turntrans-81.7-22.5179-154-114.7000112.7S81S81-D83 PolarHBondContact O-N 3.41Å; S81-D83 VanDerWaalsContact O-N 3.14Å
84E80.5Confident85.2Confident118 Ų11885 Ų8555%0.55144%0.442SS*.SBendtrans-89.7133.9178-64.2-75.9107.600109.6T79 S81T79-E84 WeakPolarHBondContact OG1-CB 3.26Å; S81-E84 PolarHBondContact O-N 2.81Å
85P81.4Confident85.1Confident103 Ų10384.2 Ų84.267%0.66944%0.443SS*.PPolyproline II helixtrans-62.1148.4176.926-33.2000111.2T87P85-T87 PolarHBondContact O-N 2.89Å
86S85.6Confident84.7Confident64 Ų6487.8 Ų87.845%0.44846%0.458SS..PPolyproline II helixtrans-58.8127172.457.20000110
87T87.4Confident84.7Confident55 Ų5585.7 Ų85.734%0.33745%0.448SS..EExtended strand (participates in β ladder)trans-90.2130.1177.1-57.50000109.5M77 P85 T100M77-T87 PolarHBondContact N-O 2.94Å; M77-T87 PolarHBondContact O-N 2.84Å; P85-T87 PolarHBondContact O-N 2.89Å; T87-T100 HydrophobicContact CG2-CG2 3.23Å
88I88.5Confident84.8Confident32 Ų3285.1 Ų85.116%0.16445%0.446CS..EExtended strand (participates in β ladder)trans-96.3126.5177.6-49.2-168.9000109.1F74 Q76 Y90 T100 E101F74-I88 HydrophobicContact CB-CG2 4Å; F74-I88 HydrophobicContact CD2-CG2 4.39Å; Q76-I88 HydrophobicContact CG-CD1 4.36Å; Q76-I88 HydrophobicContact CG-CG1 4.2Å; I88-Y90 HydrophobicContact CB-CE2 4.48Å; I88-Y90 HydrophobicContact CG2-CD1 4Å; I88-Y90 HydrophobicContact CG2-CE1 3.52Å; I88-Y90 HydrophobicContact CG2-CE2 4.06Å; I88-T100 WeakPolarHBondContact O-CG2 3.16Å; I88-E101 HydrophobicContact CB-CB 4.1Å; I88-E101 WeakPolarHBondContact CB-OE2 3.49Å; I88-E101 WeakPolarHBondContact CD1-OE2 3.36Å; I88-E101 PolarHBondContact O-N 2.92Å
89K89.9Confident85Confident68 Ų6879.1 Ų79.130%0.29642%0.416SS..EExtended strand (participates in β ladder)trans-108.7139.1170-65.3-172.7-176.7172.40109.7F74 V75 M77 T100F74-K89 CarbonylContact C-O 3.15Å; F74-K89 WeakPolarHBondContact CA-O 3.02Å; V75-K89 HydrophobicContact CG2-CB 3.79Å; V75-K89 PolarHBondContact N-O 2.8Å; V75-K89 PolarHBondContact O-N 2.8Å; M77-K89 HydrophobicContact CE-CD 3.75Å; M77-K89 HydrophobicContact SD-CD 3.62Å; M77-K89 WeakPolarHBondContact SD-CE 3.21Å; M77-K89 HydrophobicContact SD-CG 4.38Å; M77-K89 PolarHBondContact SD-NZ 3.23Å; K89-T100 HydrophobicContact CG-CG2 4.49Å
90Y89.5Confident85.2Confident31 Ų3179 Ų7912%0.12242%0.415CS..EExtended strand (participates in β ladder)trans-117.7136.2-175.8-62.9-62.7000110.1T60 E62 Y73 F74 I88 I98 W99 E101T60-Y90 HydrophobicContact CG2-CE1 4.19Å; E62-Y90 VanDerWaalsContact CD-CE1 3.44Å; E62-Y90 VanDerWaalsContact CD-CG 3.48Å; E62-Y90 WeakPolarHBondContact OE1-CD1 3.14Å; E62-Y90 WeakPolarHBondContact OE1-CE1 3.37Å; E62-Y90 VanDerWaalsContact OE2-CB 3.24Å; E62-Y90 WeakPolarHBondContact OE2-CB 3.48Å; E62-Y90 WeakPolarHBondContact OE2-CD1 3.28Å; E62-Y90 WeakPolarHBondContact OE2-CD2 3.39Å; E62-Y90 WeakPolarHBondContact OE2-CE1 3.37Å; Y73-Y90 CarbonylContact O-C 3.54Å; Y73-Y90 VanDerWaalsContact O-CA 3.31Å; Y73-Y90 WeakPolarHBondContact O-CA 3.19Å; F74-Y90 HydrophobicContact CB-CD1 3.44Å; F74-Y90 VanDerWaalsContact CB-CD1 3.44Å; F74-Y90 HydrophobicContact CB-CE1 3.45Å; F74-Y90 VanDerWaalsContact CB-CE1 3.45Å; F74-Y90 HydrophobicContact CG-CE1 4.46Å; I88-Y90 HydrophobicContact CB-CE2 4.48Å; I88-Y90 HydrophobicContact CG2-CD1 4Å; I88-Y90 HydrophobicContact CG2-CE1 3.52Å; I88-Y90 HydrophobicContact CG2-CE2 4.06Å; Y90-I98 CarbonylContact O-C 3.26Å; Y90-I98 WeakPolarHBondContact O-CA 3.24Å; Y90-W99 VanDerWaalsContact CB-CE2 3.44Å; Y90-W99 AromaticContact CD2-CD1 3.79Å; Y90-W99 AromaticContact CD2-NE1 3.42Å; Y90-W99 AromaticContact CG-NE1 3.8Å; Y90-W99 PolarHBondContact N-O 2.92Å; Y90-W99 PolarHBondContact O-N 3.28Å; Y90-E101 HydrophobicContact CD2-CB 4.2Å; Y90-E101 HydrophobicContact CE2-CB 3.49Å; Y90-E101 VanDerWaalsContact CE2-CB 3.49Å; Y90-E101 HydrophobicContact CE2-CG 3.81Å; Y90-E101 WeakPolarHBondContact CE2-OE2 3.32Å; Y90-E101 VanDerWaalsContact CZ-OE2 3.3Å; Y90-E101 VanDerWaalsContact OH-CD 3.29Å; Y90-E101 PolarHBondContact OH-OE2 3.18Å
91S87Confident85.2Confident1 Ų171.1 Ų71.11%0.00739%0.389CS..EExtended strand (participates in β ladder)trans-124.6119.7176.6-177.50000109.9A72 Y73 I93 H97A72-S91 CarbonylContact C-O 3.51Å; A72-S91 WeakPolarHBondContact CA-O 3.41Å; A72-S91 WeakPolarHBondContact CB-O 3.49Å; Y73-S91 PolarHBondContact N-O 2.94Å; Y73-S91 PolarHBondContact O-N 3.14Å; S91-I93 PolarHBondContact O-N 2.93Å; S91-H97 WeakPolarHBondContact CA-O 3.13Å
92C88.3Confident84.3Confident0 Ų080.2 Ų80.20%042%0.424CS..EExtended strand (participates in β ladder)trans-67.3130.7178.7-1780000111C64 C67 K94 C95 H96 H97 W99C64-C92 HydrophobicContact CB-CB 4.1Å; C67-C92 PolarHBondContact SG-SG 3.12Å; C92-K94 PolarHBondContact O-N 3.35Å; C92-K94 PolarHBondContact SG-N 3.07Å; C92-K94 VanDerWaalsContact SG-N 3.37Å; C92-C95 VanDerWaalsContact CB-SG 3.52Å; C92-C95 VanDerWaalsContact SG-SG 3.64Å; C92-H96 VanDerWaalsContact O-CA 3.28Å; C92-H96 WeakPolarHBondContact O-CA 3.46Å; C92-H96 PolarHBondContact O-N 2.57Å; C92-H97 PolarHBondContact N-O 3.25Å; C92-W99 HydrophobicContact CB-CH2 4.02Å; C92-W99 HydrophobicContact CB-CZ3 3.73Å
93I85.6Confident84.5Confident43 Ų4378.6 Ų78.622%0.22140%0.399CS..THydrogen-bonded Turntrans-58.7-33.3176.7-54.1-173.1000112.1Q59 R71 Y73 S91Q59-I93 HydrophobicContact CG-CD1 4.29Å; R71-I93 HydrophobicContact CB-CD1 3.56Å; R71-I93 HydrophobicContact CB-CG1 4.32Å; Y73-I93 HydrophobicContact CD2-CG1 3.88Å; Y73-I93 HydrophobicContact CE1-CD1 4.37Å; Y73-I93 HydrophobicContact CE2-CB 4.18Å; Y73-I93 HydrophobicContact CE2-CD1 4.26Å; Y73-I93 HydrophobicContact CE2-CG1 3.6Å; Y73-I93 HydrophobicContact CE2-CG2 4.22Å; Y73-I93 HydrophobicContact CG-CG1 4.45Å; S91-I93 PolarHBondContact O-N 2.93Å
94K83.8Confident84.5Confident154 Ų15474.7 Ų74.767%0.6738%0.377SS*.THydrogen-bonded Turntrans-92.9-41.5-171.2-168.9-176.4179.6-164.40113.8C92C92-K94 PolarHBondContact O-N 3.35Å; C92-K94 PolarHBondContact SG-N 3.07Å; C92-K94 VanDerWaalsContact SG-N 3.37Å
95C85.3Confident84.7Confident41 Ų4172.3 Ų72.328%0.27737%0.367SS..THydrogen-bonded Turntrans-115.9-0.8-172.870.10000114C64 C67 C92 H97C64-C95 VanDerWaalsContact SG-SG 3.65Å; C67-C95 HydrophobicContact CB-CB 4.41Å; C92-C95 VanDerWaalsContact CB-SG 3.52Å; C92-C95 VanDerWaalsContact SG-SG 3.64Å; C95-H97 PolarHBondContact O-N 3.41Å; C95-H97 VanDerWaalsContact SG-CB 3.58Å
96H80Confident84.9Confident104 Ų10470.5 Ų70.548%0.48135%0.35SS..  trans52.624.2-179.1-53.6-75.1000113.9C92 I98C92-H96 VanDerWaalsContact O-CA 3.28Å; C92-H96 WeakPolarHBondContact O-CA 3.46Å; C92-H96 PolarHBondContact O-N 2.57Å; H96-I98 PolarHBondContact O-N 2.91Å
97H85Confident84.8Confident69 Ų6970.9 Ų70.932%0.31934%0.344SS..  trans-70.5128171.6-173.6-93.5000108K66 S91 C92 C95 W99K66-H97 HydrophobicContact CD-CB 4.32Å; S91-H97 WeakPolarHBondContact CA-O 3.13Å; C92-H97 PolarHBondContact N-O 3.25Å; C95-H97 PolarHBondContact O-N 3.41Å; C95-H97 VanDerWaalsContact SG-CB 3.58Å; H97-W99 HydrophobicContact CB-CE3 4.45Å; H97-W99 HydrophobicContact CB-CZ3 4.46Å; H97-W99 AromaticContact ND1-CE3 3.47Å; H97-W99 WeakPolarHBondContact O-CZ3 3.44Å
98I86.4Confident84.7Confident67 Ų6772 Ų7234%0.34434%0.344SS..EExtended strand (participates in β ladder)trans-101.1128.2175.9-58.4169.1000108.1Y54 Y90 H96Y54-I98 HydrophobicContact CE2-CD1 4.31Å; Y90-I98 CarbonylContact O-C 3.26Å; Y90-I98 WeakPolarHBondContact O-CA 3.24Å; H96-I98 PolarHBondContact O-N 2.91Å
99W88.6Confident84.4Confident43 Ų4374.9 Ų74.916%0.16336%0.357CS..EExtended strand (participates in β ladder)trans-133.5156.9170.66595.4000110.2E62 C64 P65 A72 Y90 C92 H97E62-W99 HydrophobicContact CG-CZ2 4.04Å; E62-W99 WeakPolarHBondContact OE2-CZ2 2.78Å; E62-W99 PolarHBondContact OE2-NE1 2.84Å; C64-W99 HydrophobicContact CB-CH2 3.73Å; C64-W99 HydrophobicContact CB-CZ2 4.5Å; C64-W99 HydrophobicContact CB-CZ3 4.14Å; P65-W99 HydrophobicContact CG-CD2 4.27Å; P65-W99 HydrophobicContact CG-CE3 4.47Å; P65-W99 HydrophobicContact CG-CG 4.46Å; A72-W99 HydrophobicContact CB-CH2 3.81Å; A72-W99 HydrophobicContact CB-CZ2 4.17Å; Y90-W99 VanDerWaalsContact CB-CE2 3.44Å; Y90-W99 AromaticContact CD2-CD1 3.79Å; Y90-W99 AromaticContact CD2-NE1 3.42Å; Y90-W99 AromaticContact CG-NE1 3.8Å; Y90-W99 PolarHBondContact N-O 2.92Å; Y90-W99 PolarHBondContact O-N 3.28Å; C92-W99 HydrophobicContact CB-CH2 4.02Å; C92-W99 HydrophobicContact CB-CZ3 3.73Å; H97-W99 HydrophobicContact CB-CE3 4.45Å; H97-W99 HydrophobicContact CB-CZ3 4.46Å; H97-W99 AromaticContact ND1-CE3 3.47Å; H97-W99 WeakPolarHBondContact O-CZ3 3.44Å
100T85.9Confident84Confident70 Ų7075.4 Ų75.443%0.42936%0.362SS..EExtended strand (participates in β ladder)trans-97.2140.7175.1-45.80000108.6T87 I88 K89 Q102T87-T100 HydrophobicContact CG2-CG2 3.23Å; I88-T100 WeakPolarHBondContact O-CG2 3.16Å; K89-T100 HydrophobicContact CG-CG2 4.49Å; T100-Q102 PolarHBondContact O-N 3.48Å
101E82.5Confident83.5Confident96 Ų9679.1 Ų79.145%0.44938%0.382SS..  trans-59.9133.2164-158.5165.7172.200109.4I88 Y90I88-E101 HydrophobicContact CB-CB 4.1Å; I88-E101 WeakPolarHBondContact CB-OE2 3.49Å; I88-E101 WeakPolarHBondContact CD1-OE2 3.36Å; I88-E101 PolarHBondContact O-N 2.92Å; Y90-E101 HydrophobicContact CD2-CB 4.2Å; Y90-E101 HydrophobicContact CE2-CB 3.49Å; Y90-E101 VanDerWaalsContact CE2-CB 3.49Å; Y90-E101 HydrophobicContact CE2-CG 3.81Å; Y90-E101 WeakPolarHBondContact CE2-OE2 3.32Å; Y90-E101 VanDerWaalsContact CZ-OE2 3.3Å; Y90-E101 VanDerWaalsContact OH-CD 3.29Å; Y90-E101 PolarHBondContact OH-OE2 3.18Å
102Q63.6Low83.2Confident261 Ų26186.2 Ų86.2100%1.2242%0.416SS*.  trans-87.80174.2-70.5-175.660.800110.6T100T100-Q102 PolarHBondContact O-N 3.48Å

Retrieved 102 of 102 residues in 170.1 ms (Link to these results)