G4M0N4_SCHMA Loading...

E3 ubiquitin-protein ligase PPP1R11

AlphaFold DB , UniProt , Accession G4M0N4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 157 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
1M60.7Low57.1Low242 Ų242157.7 Ų157.7100%1.19285%0.854SS**  099.60-63.4-176.7-179.900106.1
2A46.4Very low57Low112 Ų112159.4 Ų159.493%0.92685%0.852SS**  trans-98.1114.2-17300000109.4
3T59.2Low57.3Low125 Ų125165.8 Ų165.877%0.76786%0.857SS**  trans-121.3147.6176.744.10000107.8
4E55.4Low57.1Low165 Ų165167 Ų16777%0.77186%0.857SS**  cis-154.2152.6-24.5-85.1-141118.400105.5
5L47.1Very low57.2Low170 Ų170168.4 Ų168.489%0.8986%0.858SS**  trans-81.7132.2171.5-64.8162.1000109.1
6R63.5Low57Low220 Ų220168.4 Ų168.483%0.8385%0.854SS**  trans-141.2107.3164.1-144.192.2-179.6-155.53.2110.6
7T54.6Low56.7Low127 Ų127165.4 Ų165.478%0.77985%0.848SS**  trans-76.5131171.548.90000110
8N65.9Low56.8Low156 Ų156161.6 Ų161.683%0.83485%0.846SS**  trans-110.5121.6165.7-91.719.4000110.6
9V56.9Low57Low135 Ų135160.1 Ų160.182%0.81885%0.845SS**  trans-60.8127.4178.5170.90000110.3A11V9-A11 PolarHBondContact O-N 3.02Å
10K59.5Low57.2Low191 Ų191159.1 Ų159.183%0.8384%0.844SS**  trans-76.2103.8173.6-173.4173.4-179.6-178.10107.8E12K10-E12 PolarHBondContact O-N 2.92Å
11A59.2Low57.4Low92 Ų92155.2 Ų155.276%0.7684%0.835SS**  trans-65.3104.4171.900000109.3V9 R13V9-A11 PolarHBondContact O-N 3.02Å; A11-R13 PolarHBondContact O-N 2.95Å
12E56.3Low57.5Low178 Ų178148.1 Ų148.183%0.83280%0.802SS**  trans-62.7105.8163.247.5-136.491.500109.7K10 E14K10-E12 PolarHBondContact O-N 2.92Å; E12-E14 PolarHBondContact O-N 2.83Å
13R60.4Low58.4Low243 Ų243148.2 Ų148.292%0.91779%0.791SS**  trans-74.8108.3163.7-100-177.1177.4164.2-1107.4A11 E15A11-R13 PolarHBondContact O-N 2.95Å; R13-E15 PolarHBondContact O-N 3.16Å; R13-E15 VanDerWaalsContact O-N 3.08Å
14E54.9Low58.7Low182 Ų182148 Ų14885%0.8579%0.785SS**  trans-56.5102.3165.4-167.8162.3119.500109.2E12 Q16E12-E14 PolarHBondContact O-N 2.83Å; E14-Q16 PolarHBondContact O-N 2.87Å
15E58.8Low59.2Low188 Ų188146.7 Ų146.788%0.87978%0.779SS**  trans-75.9104.7174.4-160.3178.8123.400107.5R13R13-E15 PolarHBondContact O-N 3.16Å; R13-E15 VanDerWaalsContact O-N 3.08Å
16Q53.6Low60Low168 Ų168143.8 Ų143.879%0.78577%0.77SS**  trans-55.1137.6178.5-68.7-179.615.600110.3E14 A18E14-Q16 PolarHBondContact O-N 2.87Å; Q16-A18 PolarHBondContact O-N 3.07Å; Q16-A18 VanDerWaalsContact O-N 3.1Å
17P51.3Low60.2Low117 Ų117141.3 Ų141.376%0.7677%0.772SS**  trans-63.7118.4176.926.7-32.4000108.7T19P17-T19 PolarHBondContact O-N 3.04Å
18A58.8Low60.6Low98 Ų98141.6 Ų141.681%0.8177%0.769SS**  trans-55.7104.7170.900000108.5Q16 V20Q16-A18 PolarHBondContact O-N 3.07Å; Q16-A18 VanDerWaalsContact O-N 3.1Å; A18-V20 PolarHBondContact O-N 2.91Å
19T60.9Low60.6Low133 Ų133140.8 Ų140.882%0.81676%0.763SS**  trans-62.1121.9175.448.90000107.5P17 A21P17-T19 PolarHBondContact O-N 3.04Å; T19-A21 PolarHBondContact O-N 2.79Å
20V60.7Low61.2Low139 Ų139144.1 Ų144.184%0.84276%0.761SS**  trans-62.1102.7177.2178.50000107.2A18 D22A18-V20 PolarHBondContact O-N 2.91Å; V20-D22 PolarHBondContact O-N 2.99Å
21A61.5Low61.2Low79 Ų79137.9 Ų137.965%0.65375%0.751SS**  trans-58.3131.317600000109.5T19 V23T19-A21 PolarHBondContact O-N 2.79Å; A21-V23 PolarHBondContact O-N 2.81Å; A21-V23 VanDerWaalsContact O-N 3.09Å
22D62.3Low61.3Low93 Ų93139.2 Ų139.250%0.49775%0.749SS.*  trans-55.4112.3173.5175.129.8000109.8V20 N24 Q25V20-D22 PolarHBondContact O-N 2.99Å; D22-N24 PolarHBondContact O-N 3.24Å; D22-Q25 HydrophobicContact CB-CG 4.31Å; D22-Q25 PolarHBondContact O-N 2.9Å; D22-Q25 PolarHBondContact OD2-NE2 2.84Å
23V66.5Low61.3Low114 Ų114136 Ų13669%0.69175%0.747SS**THydrogen-bonded Turntrans-70.33.7-167.2-164.30000112.7A21A21-V23 PolarHBondContact O-N 2.81Å; A21-V23 VanDerWaalsContact O-N 3.09Å
24N64.3Low61Low121 Ų121131 Ų13165%0.64773%0.734SS**THydrogen-bonded Turntrans-1117-176.4-58.8-51.8000114.1D22D22-N24 PolarHBondContact O-N 3.24Å
25Q66.5Low60.6Low137 Ų137126.8 Ų126.864%0.6473%0.73SS**SBendtrans-83.4129.9177.6-54.8-154.72.400110.2D22 L27D22-Q25 HydrophobicContact CB-CG 4.31Å; D22-Q25 PolarHBondContact O-N 2.9Å; D22-Q25 PolarHBondContact OD2-NE2 2.84Å; Q25-L27 PolarHBondContact O-N 3.23Å
26P64.9Low60.2Low108 Ų108123.8 Ų123.870%0.70172%0.716SS**  trans-57.5126.9173.524.3-31.9000108.3L28P26-L28 VanDerWaalsContact C-N 3.3Å; P26-L28 PolarHBondContact O-N 3.49Å
27L67.3Low59.6Low168 Ų168122 Ų12288%0.8872%0.716SS**  trans-62.594175.1-74.7169.3000108.5Q25 I29Q25-L27 PolarHBondContact O-N 3.23Å; L27-I29 PolarHBondContact O-N 3.06Å
28L62.3Low59.6Low133 Ų133121.1 Ų121.170%0.69671%0.709SS**  trans-72.698.5171.9-78.4165000107.6P26 R30P26-L28 VanDerWaalsContact C-N 3.3Å; P26-L28 PolarHBondContact O-N 3.49Å; L28-R30 PolarHBondContact O-N 3.23Å
29I67Low58.8Low140 Ų140124.1 Ų124.172%0.71871%0.711SS**  trans-70.180.2167.6-52.4179.3000107.1L27 G31L27-I29 PolarHBondContact O-N 3.06Å; I29-G31 PolarHBondContact O-N 3.36Å
30R67.8Low58.2Low204 Ų204124.9 Ų124.977%0.7771%0.71SS**  trans-75.5109.9165.6-83.9179.7172155.1-1.7106.7L28 T32L28-R30 PolarHBondContact O-N 3.23Å; R30-T32 PolarHBondContact O-N 2.75Å
31G59.7Low57.5Low60 Ų60126.7 Ų126.762%0.61971%0.71SS**  trans-56.2109.1164.900000108I29 S33I29-G31 PolarHBondContact O-N 3.36Å; G31-S33 PolarHBondContact O-N 3.33Å
32T62.6Low56.9Low120 Ų120130.3 Ų130.374%0.73672%0.718SS**  trans-77.7109.2172.4540000106.3R30 H34R30-T32 PolarHBondContact O-N 2.75Å; T32-H34 PolarHBondContact O-N 3.07Å
33S56.1Low56.5Low112 Ų112132.5 Ų132.578%0.78374%0.735SS**  trans-6695.115952.70000105.6G31 A35G31-S33 PolarHBondContact O-N 3.33Å; S33-A35 VanDerWaalsContact C-N 3.25Å; S33-A35 PolarHBondContact O-N 3.31Å
34H52.8Low56Low138 Ų138134.7 Ų134.764%0.63974%0.742SS**  trans-65.193.2176.7-159.267.6000107.4T32 Q36T32-H34 PolarHBondContact O-N 3.07Å; H34-Q36 WeakPolarHBondContact CD2-CG 3.3Å; H34-Q36 PolarHBondContact CD2-NE2 3.12Å; H34-Q36 VanDerWaalsContact NE2-CG 3.3Å; H34-Q36 WeakPolarHBondContact NE2-CG 3.29Å; H34-Q36 PolarHBondContact NE2-NE2 3Å; H34-Q36 PolarHBondContact O-N 3.28Å
35A46.3Very low55.5Low92 Ų92134.8 Ų134.876%0.7675%0.749SS**  trans-70.971.4166.100000107.3S33 T37S33-A35 VanDerWaalsContact C-N 3.25Å; S33-A35 PolarHBondContact O-N 3.31Å; A35-T37 PolarHBondContact O-N 3.2Å
36Q52.1Low55Low125 Ų125133.5 Ų133.558%0.58476%0.755SS**  trans-69.4108.3157.9-103.8174.244.600106H34 V38H34-Q36 WeakPolarHBondContact CD2-CG 3.3Å; H34-Q36 PolarHBondContact CD2-NE2 3.12Å; H34-Q36 VanDerWaalsContact NE2-CG 3.3Å; H34-Q36 WeakPolarHBondContact NE2-CG 3.29Å; H34-Q36 PolarHBondContact NE2-NE2 3Å; H34-Q36 PolarHBondContact O-N 3.28Å; Q36-V38 HydrophobicContact CB-CG2 4.43Å; Q36-V38 PolarHBondContact O-N 2.97Å
37T41.2Very low54.4Low131 Ų131133.7 Ų133.780%0.80476%0.759SS**  trans-59.885.9159.949.80000108A35A35-T37 PolarHBondContact O-N 3.2Å
38V50.1Low54.1Low99 Ų99130.3 Ų130.360%0.675%0.75SS**  trans-137.799.1158.7-69.10000106.3Q36 N40Q36-V38 HydrophobicContact CB-CG2 4.43Å; Q36-V38 PolarHBondContact O-N 2.97Å; V38-N40 VanDerWaalsContact C-N 3.32Å; V38-N40 PolarHBondContact O-N 2.81Å
39D42.4Very low54.3Low161 Ų161132.3 Ų132.386%0.86176%0.755SS**  trans-26.988.3156.110.5-60.6000111.6
40N49Very low54.5Low149 Ų149128.5 Ų128.580%0.79775%0.75SS**  trans-147.392.3163.8-142.7-9.7000109.1V38 N42V38-N40 VanDerWaalsContact C-N 3.32Å; V38-N40 PolarHBondContact O-N 2.81Å; N40-N42 PolarHBondContact O-N 3.21Å
41E44.4Very low54.9Low177 Ų177124.9 Ų124.983%0.82775%0.753SS**  trans-68.195.7176.2-42.2-159.8125.400107.5
42N49.1Very low55.8Low154 Ų154125.1 Ų125.182%0.82475%0.749SS**  trans166.277.9155.9-86.5-8.4000111.2N40N40-N42 PolarHBondContact O-N 3.21Å
43T54.9Low56.7Low140 Ų140125.8 Ų125.886%0.85975%0.747SS**  trans-159.995.9143.8-58.30000108.3
44L55.3Low58Low160 Ų160128 Ų12884%0.83875%0.745SS**  trans-55.2133.5166.3-73.7148.7000109.2S46L44-S46 PolarHBondContact O-N 3.26Å
45P53.7Low59.5Low122 Ų122131.7 Ų131.779%0.79275%0.753SS**  trans-67.6101.5174.527.6-32000108.3S47P45-S47 PolarHBondContact O-N 3.05Å
46S55.3Low61.4Low111 Ų111130.8 Ų130.878%0.77675%0.746SS**  trans-61.2107.7173.9-1710000108.5L44 S48L44-S46 PolarHBondContact O-N 3.26Å; S46-S48 PolarHBondContact O-N 3.06Å; S46-S48 VanDerWaalsContact O-N 3.16Å
47S52.3Low63.1Low112 Ų112134.6 Ų134.678%0.78376%0.764SS**THydrogen-bonded Turntrans-65.3105.3-178.4600000110.2P45P45-S47 PolarHBondContact O-N 3.05Å
48S62.5Low65.3Low97 Ų97131.6 Ų131.668%0.67876%0.758SS**THydrogen-bonded Turntrans-176.8-18.9154.447.10000114.3S46S46-S48 PolarHBondContact O-N 3.06Å; S46-S48 VanDerWaalsContact O-N 3.16Å
49H65Low67Low175 Ų175130.3 Ų130.381%0.8175%0.751SS**  trans-114.2125.7-178.8-73.2-76.2000110.8
50G71.4Confident68.9Low60 Ų60128.7 Ų128.762%0.61974%0.741SS**  trans-60.6-176.3178.400000113.4A52G50-A52 PolarHBondContact O-N 3.05Å; G50-A52 VanDerWaalsContact O-N 3.07Å
51P76.4Confident70.4Confident128 Ų128126.1 Ų126.183%0.83173%0.727SS**PPolyproline II helixtrans-46.6118-175.2-26.833.3000112.4
52A78.1Confident72.1Confident65 Ų65122.9 Ų122.954%0.53772%0.716SS.*PPolyproline II helixtrans-74.6127.2178.700000110.1G50 H54G50-A52 PolarHBondContact O-N 3.05Å; G50-A52 VanDerWaalsContact O-N 3.07Å; A52-H54 PolarHBondContact O-ND1 2.7Å
53I81.8Confident73.4Confident133 Ų133122.9 Ų122.968%0.68271%0.71SS**PPolyproline II helixtrans-78.3122.9176.6-58.2173.3000108
54H84Confident74.1Confident159 Ų159124.4 Ų124.474%0.73671%0.706SS**  trans-117.4144.3174.6-6284.2000109.6A52A52-H54 PolarHBondContact O-ND1 2.7Å
55W85.3Confident74.9Confident215 Ų215121.8 Ų121.881%0.81469%0.69SS**PPolyproline II helixtrans-84.8142.7173.9-63104.4000110.6T59W55-T59 HydrophobicContact CD2-CG2 4.24Å; W55-T59 HydrophobicContact CE3-CG2 3.61Å; W55-T59 HydrophobicContact CZ3-CG2 4.13Å
56A85.2Confident75.6Confident74 Ų74119.7 Ų119.761%0.61269%0.691SS**PPolyproline II helixtrans-70.7149174.300000110.7G58 T59A56-G58 PolarHBondContact O-N 2.74Å; A56-T59 PolarHBondContact N-OG1 2.84Å; A56-T59 WeakPolarHBondContact O-CB 3.23Å; A56-T59 PolarHBondContact O-N 3.34Å; A56-T59 VanDerWaalsContact O-N 3.07Å; A56-T59 PolarHBondContact O-OG1 3.16Å
57E88Confident76.3Confident205 Ų205121.9 Ų121.996%0.95869%0.686SS**THydrogen-bonded Turntrans-57.5128.6170-168.8177.1-176.900109.2
58G87.5Confident77.2Confident67 Ų67126.5 Ų126.569%0.69169%0.693SS**THydrogen-bonded Turntrans89.86.8-174.100000115.8A56 I60A56-G58 PolarHBondContact O-N 2.74Å; G58-I60 PolarHBondContact O-N 3.39Å
59T85.5Confident77.3Confident72 Ų72131.4 Ų131.444%0.44270%0.702SS.*PPolyproline II helixtrans-62.4120.4170-58.30000110.1W55 A56W55-T59 HydrophobicContact CD2-CG2 4.24Å; W55-T59 HydrophobicContact CE3-CG2 3.61Å; W55-T59 HydrophobicContact CZ3-CG2 4.13Å; A56-T59 PolarHBondContact N-OG1 2.84Å; A56-T59 WeakPolarHBondContact O-CB 3.23Å; A56-T59 PolarHBondContact O-N 3.34Å; A56-T59 VanDerWaalsContact O-N 3.07Å; A56-T59 PolarHBondContact O-OG1 3.16Å
60I81.2Confident77.4Confident128 Ų128126.8 Ų126.866%0.65669%0.689SS**PPolyproline II helixtrans-94.2121179.6-59.8169.9000109G58 N62G58-I60 PolarHBondContact O-N 3.39Å; I60-N62 PolarHBondContact O-N 3.45Å
61D82.4Confident77.2Confident95 Ų95128.2 Ų128.251%0.50869%0.69SS.*PPolyproline II helixtrans-74.1119.3166.2177.218.8000109.7E63D61-E63 VanDerWaalsContact C-N 3.33Å; D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 VanDerWaalsContact OD1-CG 3.23Å; D61-E63 WeakPolarHBondContact OD1-CG 3.44Å; D61-E63 PolarHBondContact OD1-N 3Å
62N78.5Confident76.7Confident109 Ų109122.9 Ų122.958%0.58366%0.655SS**  trans-872-177.1-74.7-39.3000113.4I60 F64 M65I60-N62 PolarHBondContact O-N 3.45Å; N62-F64 VanDerWaalsContact C-N 3.25Å; N62-F64 PolarHBondContact O-N 3.2Å; N62-M65 HydrophobicContact CB-SD 4.41Å; N62-M65 PolarHBondContact OD1-SD 3.07Å
63E77.1Confident76.2Confident153 Ų153123.3 Ų123.372%0.71565%0.653SS**THydrogen-bonded Turntrans-64.3-24.4-173.5-74.7-176.6-172.100114.3D61D61-E63 VanDerWaalsContact C-N 3.33Å; D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 VanDerWaalsContact OD1-CG 3.23Å; D61-E63 WeakPolarHBondContact OD1-CG 3.44Å; D61-E63 PolarHBondContact OD1-N 3Å
64F68.8Low75.5Confident172 Ų172122.4 Ų122.475%0.75466%0.657SS**THydrogen-bonded Turntrans-115.516.1-171.9-58.7-78.4000115.1N62 G66N62-F64 VanDerWaalsContact C-N 3.25Å; N62-F64 PolarHBondContact O-N 3.2Å; F64-G66 PolarHBondContact O-N 3.45Å
65M72.2Confident74.7Confident105 Ų105119.9 Ų119.952%0.51765%0.648SS.*SBendtrans-72.817.8-177.4-62.6-165.78800115.2N62 K67N62-M65 HydrophobicContact CB-SD 4.41Å; N62-M65 PolarHBondContact OD1-SD 3.07Å; M65-K67 HydrophobicContact CB-CD 4.3Å; M65-K67 HydrophobicContact CB-CG 4.2Å; M65-K67 PolarHBondContact O-N 3.19Å
66G68.6Low74.4Confident78 Ų78118.1 Ų118.180%0.80464%0.643SS**  trans61.813.3179.600000114.7F64F64-G66 PolarHBondContact O-N 3.45Å
67K71.4Confident73.6Confident157 Ų157120.2 Ų120.268%0.68364%0.64SS**PPolyproline II helixtrans-78.8123.8179.5-64.9179.2-179.11760108.7M65 K69M65-K67 HydrophobicContact CB-CD 4.3Å; M65-K67 HydrophobicContact CB-CG 4.2Å; M65-K67 PolarHBondContact O-N 3.19Å; K67-K69 PolarHBondContact O-N 2.79Å; K67-K69 VanDerWaalsContact O-N 3.12Å
68K69.6Low73.3Confident210 Ų210116.4 Ų116.491%0.91362%0.62SS**PPolyproline II helixtrans-60.4116.8179.4-60.1176.291.3159.10108.7S70K68-S70 PolarHBondContact O-N 3.25Å
69K66.1Low72.8Confident200 Ų200118.2 Ų118.287%0.8762%0.62SS**PPolyproline II helixtrans-63.1116.4172.167.1179.5-177.7-171.80109K67K67-K69 PolarHBondContact O-N 2.79Å; K67-K69 VanDerWaalsContact O-N 3.12Å
70S65.5Low72.3Confident78 Ų78126 Ų12655%0.54564%0.641SS.*PPolyproline II helixtrans-78122.4159.149.90000106.8K68 C72K68-S70 PolarHBondContact O-N 3.25Å; S70-C72 PolarHBondContact O-N 3.08Å
71S67.7Low72.1Confident90 Ų90125.7 Ų125.763%0.62964%0.635SS**SBendtrans-70.510.4174.556.80000113.5H113S71-H113 PolarHBondContact O-CD2 3.09Å; S71-H113 PolarHBondContact O-NE2 2.92Å; S71-H113 PolarHBondContact OG-CD2 3.45Å
72C67Low71.5Confident16 Ų16133.7 Ų133.711%0.10866%0.658CS.*SBendtrans-111.2136.3178-167.30000108.1S70 C74 C118S70-C72 PolarHBondContact O-N 3.08Å; C72-C74 PolarHBondContact O-N 3.3Å; C72-C118 WeakPolarHBondContact CB-SG 3.37Å; C72-C118 WeakPolarHBondContact SG-CB 3.38Å; C72-C118 CovalentContact SG-SG 2.04Å; C72-C118 PolarHBondContact SG-SG 3.21Å
73C67Low71Confident73 Ų73134.4 Ų134.449%0.49366%0.662SS.*  trans-52.2131.3-171.449.40000112.9I75C73-I75 PolarHBondContact O-N 2.88Å
74C67.7Low69.9Low114 Ų114133.2 Ų133.277%0.7766%0.656SS**  trans-8387.8177.4-590000109.9C72 Y76C72-C74 PolarHBondContact O-N 3.3Å; C74-Y76 PolarHBondContact O-N 3.06Å
75I67.5Low69.1Low107 Ų107130.3 Ų130.355%0.54966%0.657SS.*  trans-79.6108.9161.6-54.5-172.5000107C73 E77 R119C73-I75 PolarHBondContact O-N 2.88Å; I75-E77 PolarHBondContact O-N 3.25Å; I75-R119 WeakPolarHBondContact CD1-O 3.35Å
76Y77.2Confident68Low177 Ų177131.6 Ų131.669%0.69468%0.676SS**PPolyproline II helixtrans-73.3119.9174.1174.1-101.3000109.9C74 K78 P79C74-Y76 PolarHBondContact O-N 3.06Å; Y76-K78 HydrophobicContact CE1-CB 4.12Å; Y76-K78 HydrophobicContact CE1-CG 4.45Å; Y76-P79 WeakPolarHBondContact OH-CD 3.05Å
77E68.7Low67.1Low118 Ų118133.6 Ų133.655%0.55168%0.678SS**PPolyproline II helixtrans-100123.1167.4-71179.7172.200108.9I75 R119I75-E77 PolarHBondContact O-N 3.25Å; E77-R119 IonicContact OE2-CZ 3.95Å; E77-R119 IonicContact OE2-NH1 2.87Å; E77-R119 PolarHBondContact OE2-NH1 3.19Å
78K81.9Confident65.7Low125 Ų125130.6 Ų130.654%0.54368%0.677SS.*PPolyproline II helixtrans-63.2128.9176.9-162.6173.3-156170.50109.3Y76 R80Y76-K78 HydrophobicContact CE1-CB 4.12Å; Y76-K78 HydrophobicContact CE1-CG 4.45Å; K78-R80 PolarHBondContact O-N 3.48Å
79P77.8Confident64.7Low105 Ų105126.1 Ų126.168%0.68267%0.672SS**PPolyproline II helixtrans-60.3127.7177.421.2-29.4000110.1Y76Y76-P79 WeakPolarHBondContact OH-CD 3.05Å
80R74.7Confident63.7Low237 Ų237121 Ų12189%0.89466%0.661SS**PPolyproline II helixtrans-70.3131.7179.1-62.9177.3103.1123.9-0.9109.1K78K78-R80 PolarHBondContact O-N 3.48Å
81K76.8Confident63.1Low120 Ų120123.2 Ų123.252%0.52267%0.667SS.*PPolyproline II helixtrans-68.1131.6170.733.2170.5161.1151.60109.2N83 E84K81-N83 PolarHBondContact O-N 3.46Å; K81-E84 HydrophobicContact CD-CG 3.75Å; K81-E84 WeakPolarHBondContact CE-OE1 3.34Å; K81-E84 WeakPolarHBondContact CE-OE2 3.02Å; K81-E84 HydrophobicContact CG-CB 4.48Å; K81-E84 HydrophobicContact CG-CG 3.92Å; K81-E84 IonicContact NZ-OE1 2.63Å; K81-E84 PolarHBondContact NZ-OE1 3.18Å; K81-E84 IonicContact NZ-OE2 3.62Å; K81-E84 PolarHBondContact O-N 3.5Å
82W69.2Low62.2Low263 Ų263125.8 Ų125.8100%0.99667%0.674SS**THydrogen-bonded Turntrans-57-21.5-179.8179.3-86.8000113.5
83N68.7Low61.5Low124 Ų124129.1 Ų129.166%0.66370%0.698SS**THydrogen-bonded Turntrans-900.8-176.898.9-16.5000115.6K81 S85K81-N83 PolarHBondContact O-N 3.46Å; N83-S85 PolarHBondContact O-N 2.04Å
84E54.7Low60.6Low129 Ų129132.5 Ų132.560%0.60371%0.711SS**SBendtrans-90.889170.4-72-164.8147.600109.7K81K81-E84 HydrophobicContact CD-CG 3.75Å; K81-E84 WeakPolarHBondContact CE-OE1 3.34Å; K81-E84 WeakPolarHBondContact CE-OE2 3.02Å; K81-E84 HydrophobicContact CG-CB 4.48Å; K81-E84 HydrophobicContact CG-CG 3.92Å; K81-E84 IonicContact NZ-OE1 2.63Å; K81-E84 PolarHBondContact NZ-OE1 3.18Å; K81-E84 IonicContact NZ-OE2 3.62Å; K81-E84 PolarHBondContact O-N 3.5Å
85S51.5Low60Low110 Ų110132.1 Ų132.177%0.76971%0.707SS**  trans-49.4134.6173.4-61.10000112.2N83 S87N83-S85 PolarHBondContact O-N 2.04Å; S85-S87 PolarHBondContact O-N 3.38Å; S85-S87 VanDerWaalsContact O-N 3.11Å
86S48.9Very low59.1Low132 Ų132132 Ų13292%0.92372%0.715SS**SBendtrans-42.6100.3178.6-49.10000115
87S48.7Very low58Low120 Ų120129.1 Ų129.184%0.83972%0.718SS**  trans-166.8140.4160.7-173.70000109.7S85S85-S87 PolarHBondContact O-N 3.38Å; S85-S87 VanDerWaalsContact O-N 3.11Å
88S43.7Very low57Low95 Ų95129.7 Ų129.766%0.66473%0.725SS**  trans82.460.8-170.6-164.30000115.6
89S48.1Very low55.5Low116 Ų116131.1 Ų131.181%0.81174%0.739SS**  trans-89.380.5143.9165.30000106.4D91S89-D91 PolarHBondContact O-N 3.4Å
90S45.6Very low54.2Low91 Ų91132.5 Ų132.564%0.63674%0.74SS**  trans-71.290160.6-81.70000107.3D92S90-D92 PolarHBondContact O-N 3.11Å
91D51.7Low53.1Low125 Ų125127 Ų12767%0.66873%0.729SS**  trans-64.367.4159.1-176.434.8000108.5S89 S93S89-D91 PolarHBondContact O-N 3.4Å; D91-S93 PolarHBondContact O-N 3.46Å; D91-S93 VanDerWaalsContact O-N 3.15Å; D91-S93 WeakPolarHBondContact OD1-CB 3.19Å; D91-S93 PolarHBondContact OD1-OG 2.89Å
92D48.4Very low52Low144 Ų144128.2 Ų128.277%0.7774%0.741SS**  trans-85.456.9162.2-74.2-62000107.9S90 D94S90-D92 PolarHBondContact O-N 3.11Å; D92-D94 PolarHBondContact O-N 3.1Å
93S53.8Low51.3Low87 Ų87122.2 Ų122.261%0.60873%0.734SS**  trans-74.274.4161.2-63.70000107.2D91 P95D91-S93 PolarHBondContact O-N 3.46Å; D91-S93 VanDerWaalsContact O-N 3.15Å; D91-S93 WeakPolarHBondContact OD1-CB 3.19Å; D91-S93 PolarHBondContact OD1-OG 2.89Å; S93-P95 WeakPolarHBondContact O-CD 3.46Å; S93-P95 VanDerWaalsContact O-N 3.13Å
94D48.3Very low50.5Low143 Ų143122.8 Ų122.877%0.76574%0.737SS**  trans-63109.7170-157.3-10.1000107.7D92 S96D92-D94 PolarHBondContact O-N 3.1Å; D94-S96 VanDerWaalsContact C-N 3.28Å; D94-S96 PolarHBondContact O-N 2.89Å
95P53.6Low50.3Low107 Ų107126.5 Ų126.570%0.69575%0.751SS**  trans-75.189.9176.531.7-28.1000107.1S93 P97S93-P95 WeakPolarHBondContact O-CD 3.46Å; S93-P95 VanDerWaalsContact O-N 3.13Å; P95-P97 WeakPolarHBondContact O-CD 3.33Å; P95-P97 VanDerWaalsContact O-N 3.11Å
96S50.2Low50.4Low103 Ų103129.7 Ų129.772%0.7275%0.753SS**  trans-51.8120166.822.90000108.4D94 D98D94-S96 VanDerWaalsContact C-N 3.28Å; D94-S96 PolarHBondContact O-N 2.89Å; S96-D98 PolarHBondContact O-N 3.17Å
97P53.2Low50.5Low117 Ų117130.1 Ų130.176%0.7675%0.746SS**  trans-75.7111.5-17929.5-30.5000108.5P95 D99P95-P97 WeakPolarHBondContact O-CD 3.33Å; P95-P97 VanDerWaalsContact O-N 3.11Å; P97-D99 PolarHBondContact O-N 2.9Å
98D47.4Very low50.8Low131 Ų131130.1 Ų130.170%0.70174%0.74SS**  trans54.167.2137.1-113.8-7.3000116.6S96 N100S96-D98 PolarHBondContact O-N 3.17Å; D98-N100 WeakPolarHBondContact CB-ND2 3.45Å; D98-N100 VanDerWaalsContact CG-ND2 3.34Å; D98-N100 PolarHBondContact O-N 2.89Å; D98-N100 PolarHBondContact O-ND2 2.92Å
99D51.5Low51.6Low154 Ų154132.4 Ų132.482%0.82475%0.745SS**  trans-66.184.2154.8-80.6-53000109.2P97 D101P97-D99 PolarHBondContact O-N 2.9Å; D99-D101 PolarHBondContact O-N 2.99Å
100N49.7Very low52Low134 Ų134133.9 Ų133.972%0.71774%0.737SS**  trans-76.777.2163.1-71.8-81.9000108.3D98D98-N100 WeakPolarHBondContact CB-ND2 3.45Å; D98-N100 VanDerWaalsContact CG-ND2 3.34Å; D98-N100 PolarHBondContact O-N 2.89Å; D98-N100 PolarHBondContact O-ND2 2.92Å
101D51.8Low52.7Low123 Ų123134.5 Ų134.566%0.65873%0.73SS**  trans-139.3162.3164.7-158.410.3000109.7D99D99-D101 PolarHBondContact O-N 2.99Å
102D53.3Low53.1Low145 Ų145134.6 Ų134.678%0.77574%0.735SS**  trans89.160.3-176.4-52.3-48.5000116N104D102-N104 PolarHBondContact O-N 3.35Å
103T53.9Low53.9Low136 Ų136132.1 Ų132.183%0.83472%0.719SS**  trans-43.670138.249.80000114.3
104N52.9Low54.5Low136 Ų136129.2 Ų129.273%0.72770%0.698SS**  trans-156.7105153.4-148.8-38.5000115.1D102 Q106D102-N104 PolarHBondContact O-N 3.35Å; N104-Q106 VanDerWaalsContact C-N 3.31Å; N104-Q106 PolarHBondContact O-N 3.04Å
105K49.8Very low55.3Low208 Ų208126.4 Ų126.490%0.90469%0.686SS**  trans-76.142.6-177.2-76.6-178.8171.6175.90114.4
106Q53.2Low55.8Low176 Ų176129.2 Ų129.282%0.82269%0.69SS**  trans-146.865.2-178.8-62.2-164.88.400115.5N104N104-Q106 VanDerWaalsContact C-N 3.31Å; N104-Q106 PolarHBondContact O-N 3.04Å
107N52.4Low56.6Low142 Ų142131 Ų13176%0.75969%0.692SS**  trans-162.487.1150.2-159.9-13.4000111.8N109N107-N109 PolarHBondContact O-N 2.71Å
108T55.4Low57.2Low119 Ų119125.6 Ų125.673%0.7366%0.657SS**  trans-82.850.4178.160.30000112.4K110T108-K110 PolarHBondContact O-N 3.01Å
109N58.5Low57.8Low143 Ų143127.6 Ų127.677%0.76565%0.654SS**  trans-85.276.6167.5-136.530.5000109N107 H111N107-N109 PolarHBondContact O-N 2.71Å; N109-H111 PolarHBondContact O-N 2.94Å
110K56.8Low58.3Low147 Ų147122.7 Ų122.764%0.63964%0.64SS**  trans-53.3127.3-179-71.8156.3-177.4165.60109.2T108 T112T108-K110 PolarHBondContact O-N 3.01Å; K110-T112 PolarHBondContact O-N 2.96Å; K110-T112 PolarHBondContact O-OG1 3.44Å
111H60.6Low59Low104 Ų104119.1 Ų119.148%0.48162%0.619SS.*  trans-60.279.6173.8-6.4-69000108.3N109 R124 C125N109-H111 PolarHBondContact O-N 2.94Å; H111-R124 PolarHBondContact CD2-O 3.26Å; H111-C125 HydrophobicContact CB-CB 4.32Å
112T61.5Low59.4Low128 Ų128118.2 Ų118.279%0.78562%0.618SS**  trans-91-8-169.4-49.70000111.7K110K110-T112 PolarHBondContact O-N 2.96Å; K110-T112 PolarHBondContact O-OG1 3.44Å
113H64.7Low59.6Low92 Ų92121.1 Ų121.143%0.42662%0.623SS.*  trans-104.55.3-174.983.1-80.2000114.6S71 T115S71-H113 PolarHBondContact O-CD2 3.09Å; S71-H113 PolarHBondContact O-NE2 2.92Å; S71-H113 PolarHBondContact OG-CD2 3.45Å; H113-T115 PolarHBondContact O-N 2.93Å
114C65.7Low59.8Low26 Ų26124 Ų12418%0.17662%0.619CS.*  trans-79.3119176.3-60.80000109.8C118 C125C114-C118 HydrophobicContact CB-CB 4.38Å; C114-C125 HydrophobicContact CB-CB 4.34Å
115T65.7Low60.2Low83 Ų83118.4 Ų118.451%0.50959%0.59SS.*  trans-93.8168.8173.262.30000110.5H113 N117 C118 F126H113-T115 PolarHBondContact O-N 2.93Å; T115-N117 PolarHBondContact O-N 2.93Å; T115-C118 PolarHBondContact N-SG 3.23Å; T115-C118 WeakPolarHBondContact O-CB 3.45Å; T115-C118 PolarHBondContact O-N 3.37Å; T115-F126 WeakPolarHBondContact O-CE1 3.21Å
116E64.5Low60.6Low167 Ų167113 Ų11378%0.7857%0.567SS**THydrogen-bonded Turntrans-57.4-14178.3-66.4-176161.700113.7
117N65.8Low60.8Low140 Ų140115.6 Ų115.675%0.74957%0.569SS**THydrogen-bonded Turntrans-92.70.2178.4-55.697.6000114.4T115 R119T115-N117 PolarHBondContact O-N 2.93Å; N117-R119 PolarHBondContact O-N 3.03Å
118C65.6Low61.1Low4 Ų4117.4 Ų117.43%0.02757%0.57CS.*  trans-75.880.9-179.9-80.40000112.5C72 C114 T115 G120 F126C72-C118 WeakPolarHBondContact CB-SG 3.37Å; C72-C118 WeakPolarHBondContact SG-CB 3.38Å; C72-C118 CovalentContact SG-SG 2.04Å; C72-C118 PolarHBondContact SG-SG 3.21Å; C114-C118 HydrophobicContact CB-CB 4.38Å; T115-C118 PolarHBondContact N-SG 3.23Å; T115-C118 WeakPolarHBondContact O-CB 3.45Å; T115-C118 PolarHBondContact O-N 3.37Å; C118-G120 PolarHBondContact O-N 2.83Å; C118-F126 HydrophobicContact CB-CZ 4.1Å; C118-F126 WeakPolarHBondContact O-CZ 3.21Å
119R61.1Low61.3Low173 Ų173120.1 Ų120.165%0.65357%0.572SS**THydrogen-bonded Turntrans-81.296.9173.7-65.7179.8174.7167.31.1109.4I75 E77 N117I75-R119 WeakPolarHBondContact CD1-O 3.35Å; E77-R119 IonicContact OE2-CZ 3.95Å; E77-R119 IonicContact OE2-NH1 2.87Å; E77-R119 PolarHBondContact OE2-NH1 3.19Å; N117-R119 PolarHBondContact O-N 3.03Å
120G61.8Low61.3Low50 Ų50122.3 Ų122.352%0.51558%0.575SS.*THydrogen-bonded Turntrans153.7-6.2179.300000115.8C118C118-G120 PolarHBondContact O-N 2.83Å
121H64.2Low61.1Low60 Ų60121.6 Ų121.628%0.27858%0.578SS.*SBendtrans-93.6141.1174.3-71.4-85.9000111.8C125H121-C125 HydrophobicContact CB-CB 3.55Å; H121-C125 PolarHBondContact ND1-SG 3.39Å
122T59Low60.5Low103 Ų103123.6 Ų123.663%0.63259%0.592SS**  trans-56.1153.8169.164.60000109.7R124 C125T122-R124 PolarHBondContact O-N 3.46Å; T122-C125 PolarHBondContact O-N 3.17Å
123K57.6Low59.8Low206 Ų206125.9 Ų125.990%0.89659%0.591SS**THydrogen-bonded Turntrans-48.4-15.2-175.6-64.6176.4-179.4172.30114.7
124R59.4Low59.1Low196 Ų196127.8 Ų127.874%0.7461%0.605SS**THydrogen-bonded Turntrans-75.1-19.3179.2-60.3-173.8-177.5168.32.1114.8H111 T122H111-R124 PolarHBondContact CD2-O 3.26Å; T122-R124 PolarHBondContact O-N 3.46Å
125C61.7Low58.4Low19 Ų19131.5 Ų131.513%0.12863%0.631CS.*SBendtrans-85.7-19.2178.7-60.60000114H111 C114 H121 T122 R127H111-C125 HydrophobicContact CB-CB 4.32Å; C114-C125 HydrophobicContact CB-CB 4.34Å; H121-C125 HydrophobicContact CB-CB 3.55Å; H121-C125 PolarHBondContact ND1-SG 3.39Å; T122-C125 PolarHBondContact O-N 3.17Å; C125-R127 PolarHBondContact O-N 2.87Å
126F57Low57.2Low96 Ų96134.8 Ų134.842%0.42165%0.645SS.*  trans-90.974.2175.1-70-79.7000110.9T115 C118 K128T115-F126 WeakPolarHBondContact O-CE1 3.21Å; C118-F126 HydrophobicContact CB-CZ 4.1Å; C118-F126 WeakPolarHBondContact O-CZ 3.21Å; F126-K128 PolarHBondContact O-N 3.26Å
127R56.9Low56.5Low229 Ų229131 Ų13186%0.86464%0.638SS**  trans-88.889.2159.5-73.8-166.5172.6-160.3-1.2108.2C125 K129C125-R127 PolarHBondContact O-N 2.87Å; R127-K129 PolarHBondContact O-N 2.92Å
128K60Low55.7Low180 Ų180133.1 Ų133.178%0.78364%0.643SS**  trans-50.4114.1165.1-176.2158178.3160.10106.9F126 K130F126-K128 PolarHBondContact O-N 3.26Å; K128-K130 PolarHBondContact O-N 3.02Å
129K59.5Low54.8Low176 Ų176139.8 Ų139.877%0.76568%0.678SS**  trans-55.8110.5175-177.8172.9176.4174.40106.2R127 N131R127-K129 PolarHBondContact O-N 2.92Å; K129-N131 VanDerWaalsContact C-N 3.33Å; K129-N131 PolarHBondContact O-N 2.71Å
130K58.6Low54.3Low190 Ų190141 Ų14183%0.82669%0.688SS**  trans-63.1101172.4-171.8174.7-179.5176.20105.4K128 N132K128-K130 PolarHBondContact O-N 3.02Å; K130-N132 VanDerWaalsContact C-N 3.29Å; K130-N132 PolarHBondContact O-N 3.15Å
131N51.5Low53.9Low132 Ų132146.7 Ų146.771%0.70670%0.702SS**  trans-65.698.6171.2-81.9-7.1000106.4K129 K133K129-N131 VanDerWaalsContact C-N 3.33Å; K129-N131 PolarHBondContact O-N 2.71Å; N131-K133 PolarHBondContact O-N 3.22Å
132N48.4Very low53.5Low145 Ų145152.1 Ų152.178%0.77572%0.724SS**  trans-75.782.7165.5-151.9-3.8000105.8K130K130-N132 VanDerWaalsContact C-N 3.29Å; K130-N132 PolarHBondContact O-N 3.15Å
133K47Very low53.3Low176 Ų176153 Ų15377%0.76573%0.732SS**  trans-143.971.2170.8-157.1170.8-173.4173.30108.1N131N131-K133 PolarHBondContact O-N 3.22Å
134D49.6Very low53.3Low133 Ų133149.1 Ų149.171%0.71173%0.726SS**  trans-48.7143.9144.6-62-51.9000108
135S51.7Low53Low103 Ų103145.8 Ų145.872%0.7273%0.729SS**  trans69.193.8178.463.10000116.8
136N40.3Very low52.3Low152 Ų152150.3 Ų150.381%0.81376%0.762SS**  176.1124.591.2-163.33.7000108.9
137S49.8Very low52.1Low89 Ų89151 Ų15162%0.62278%0.778SS**  trans-66.4156.6174.648.10000111.5
138E48.2Very low52Low184 Ų184144.9 Ų144.986%0.8677%0.771SS**  trans75.392.7158.8-39.4-147.6151.100116.6
139N46.8Very low51.9Low144 Ų144143.8 Ų143.877%0.7777%0.773SS**  -149.2114125.6-137-31.9000110.7
140F51Low51.8Low197 Ų197145.3 Ų145.386%0.86478%0.78SS**  trans-105.885.9-177.1-157.6-82.7000105.8
141E53.1Low51.9Low170 Ų170141.7 Ų141.779%0.79477%0.77SS**  trans-123.7106169.2-80.7-173.3116.300110.1
142K55.8Low52.2Low174 Ų174140.9 Ų140.976%0.75777%0.772SS**  trans-66.2132.1174.7-156.3177.7-166.1-168.50108.3T144K142-T144 PolarHBondContact O-N 3.04Å; K142-T144 VanDerWaalsContact O-N 3.17Å
143P56.5Low52.5Low122 Ų122140.2 Ų140.279%0.79277%0.768SS**  trans-70.7114.4169.528.1-29.4000108.2
144T56.3Low52.9Low124 Ų124134.7 Ų134.776%0.76176%0.761SS**  trans-73.6143.8167.650.30000109.3K142 S146K142-T144 PolarHBondContact O-N 3.04Å; K142-T144 VanDerWaalsContact O-N 3.17Å; T144-S146 PolarHBondContact O-N 2.63Å
145P53Low52.7Low126 Ų126136.9 Ų136.982%0.81877%0.772SS**  trans-75122.3-176.329.4-32.5000110.6
146S46.6Very low52.4Low115 Ų115137.6 Ų137.680%0.80478%0.776SS**  trans-80115.8165.960.40000110T144T144-S146 PolarHBondContact O-N 2.63Å
147S52.9Low52.7Low110 Ų110139.5 Ų139.577%0.76980%0.801SS**  trans172.9142.2147.343.20000111.9
148S56.2Low52.8Low101 Ų101142 Ų14271%0.70681%0.809SS**  trans84.783.2173.470.50000117.1
149D56.4Low53.1Low157 Ų157139.8 Ų139.884%0.8481%0.807SS**  25.6100.4121-51-58.9000117.4
150F58.4Low53.4Low208 Ų208139.6 Ų139.691%0.91281%0.809SS**  trans-127.891.2145.2-110.5-90.8000107.4P152F150-P152 WeakPolarHBondContact O-CD 3.12Å
151N61.1Low53.6Low114 Ų114136.2 Ų136.261%0.6181%0.806SS**  trans-74.2116.8171177.79.6000108.5N153N151-N153 PolarHBondContact ND2-OD1 3.29Å; N151-N153 VanDerWaalsContact ND2-OD1 3.11Å; N151-N153 PolarHBondContact O-N 2.97Å; N151-N153 PolarHBondContact OD1-N 2.92Å
152P58Low53.6Low114 Ų114134.1 Ų134.174%0.7481%0.806SS**  trans-76.681.4167.233.6-30000107.1F150 G154F150-P152 WeakPolarHBondContact O-CD 3.12Å; P152-G154 PolarHBondContact O-N 3.11Å
153N54.7Low53.4Low132 Ų132131.4 Ų131.471%0.70681%0.81SS**  trans-49.4110.1156.2-75.7-33.6000105.4N151N151-N153 PolarHBondContact ND2-OD1 3.29Å; N151-N153 VanDerWaalsContact ND2-OD1 3.11Å; N151-N153 PolarHBondContact O-N 2.97Å; N151-N153 PolarHBondContact OD1-N 2.92Å
154G53.8Low53.2Low59 Ų59132.1 Ų132.161%0.60881%0.811SS**  cis67.878.841.400000104.6P152P152-G154 PolarHBondContact O-N 3.11Å
155L45.2Very low53Low179 Ų179132.7 Ų132.794%0.93782%0.815SS**  trans-48137.5-162-73.683.9000114
156C47.2Very low53Low119 Ų119133.3 Ų133.380%0.80481%0.814SS**  trans-155.5117.6158.5-172.30000110.3
157S45.5Very low53.6Low191 Ų191134.9 Ų134.9100%1.33682%0.815SS**  trans66.80170.6-63.10000119.5

Retrieved 157 of 157 residues in 19.5 ms (Link to these results)