A0A087WQF2_MOUSE Loading...

Protein tyrosine phosphatase receptor type N

AlphaFold DB , UniProt , Accession A0A087WQF2, Species MOUSE (Mus musculus, Mouse), Gene Ptprn, Length 170 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
1V40.3Very low44.4Very low192 Ų192159.3 Ų159.3100%1.16482%0.82SS**  088.7064.70000106.5
2A45.2Very low43.9Very low87 Ų87160.6 Ų160.672%0.71982%0.819SS**  54.5100.98300000112.7
3E39.3Very low43.1Very low190 Ų190161.3 Ų161.389%0.88882%0.817SS**  trans-149142.5138.4-96.5-68.671.800109.2
4R49.8Very low42.7Very low221 Ų221158.1 Ų158.183%0.83482%0.815SS**  trans-97.1-159.7-159.4-53.1-176.568.8-164.82.9113.7
5P45.3Very low42.5Very low100 Ų100155.9 Ų155.965%0.64982%0.815SS**  -122.8-146.9-113.538-13.1000113.7
6P57.2Low42.6Very low118 Ų118161.4 Ų161.477%0.76682%0.822SS**  -100.1150.4-113.237-19.7000115.2
7R46.3Very low43.2Very low252 Ų252159.2 Ų159.295%0.95183%0.825SS**  trans-149.1130.4166.4-49.1-177.194-175.66.1107.3
8G40Very low42.8Very low66 Ų66153.2 Ų153.268%0.6881%0.807SS**  cis-176.7142.41.200000106Q10G8-Q10 PolarHBondContact O-N 3.47Å
9L39.8Very low42.9Very low157 Ų157154.6 Ų154.682%0.82281%0.809SS**  trans23.891.9147-150.769.7000114.4R11L9-R11 PolarHBondContact O-N 2.95Å
10Q39.7Very low42.7Very low174 Ų174154.8 Ų154.881%0.81381%0.811SS**  trans-5989.9163.9-152.287.966.600106.4G8 H12G8-Q10 PolarHBondContact O-N 3.47Å; Q10-H12 VanDerWaalsContact C-N 3.29Å; Q10-H12 PolarHBondContact O-CD2 3Å; Q10-H12 PolarHBondContact O-N 3.15Å
11R45.1Very low42.6Very low195 Ų195155.2 Ų155.274%0.73681%0.813SS**  trans-62.8101.5171-59.9-173.274-131.81.8104.1L9 Q13L9-R11 PolarHBondContact O-N 2.95Å; R11-Q13 VanDerWaalsContact C-N 3.3Å; R11-Q13 PolarHBondContact O-N 3.48Å
12H38.4Very low42.8Very low175 Ų175155 Ų15581%0.8180%0.802SS**  trans-49.7103.8172.3-68.8-87.4000107Q10 C14Q10-H12 VanDerWaalsContact C-N 3.29Å; Q10-H12 PolarHBondContact O-CD2 3Å; Q10-H12 PolarHBondContact O-N 3.15Å; H12-C14 PolarHBondContact O-N 3.35Å; H12-C14 VanDerWaalsContact O-N 3.09Å
13Q33.5Very low42.4Very low170 Ų170154.3 Ų154.379%0.79480%0.803SS**  trans-67.8105178.5-132.7107.285.100104.8R11R11-Q13 VanDerWaalsContact C-N 3.3Å; R11-Q13 PolarHBondContact O-N 3.48Å
14C37.4Very low42.3Very low116 Ų116150.1 Ų150.178%0.78480%0.801SS**PPolyproline II helixtrans-65.7132.3164-77.80000107.8H12H12-C14 PolarHBondContact O-N 3.35Å; H12-C14 VanDerWaalsContact O-N 3.09Å
15P40.2Very low41.9Very low126 Ų126144 Ų14482%0.81881%0.807SS**PPolyproline II helixtrans-62.7145.5-171.623.9-32.4000111.8
16R44.8Very low41.6Very low244 Ų244142.4 Ų142.492%0.92181%0.809SS**PPolyproline II helixtrans-63.1137.5172.8-86.5166.463.7-173.30.3110G18R16-G18 PolarHBondContact O-N 2.69Å
17S51.7Low40.7Very low124 Ų124142.8 Ų142.887%0.86781%0.814SS**  trans-34.9121163.3179.90000114.1
18G36.2Very low40.6Very low50 Ų50137.3 Ų137.352%0.51581%0.809SS.*  trans-135.5108.6149.800000105.3R16R16-G18 PolarHBondContact O-N 2.69Å
19E44.1Very low40.7Very low181 Ų181138.3 Ų138.385%0.84681%0.81SS**  93.1127.797.976.3-16376.100112.8
20N40Very low41Very low158 Ų158139.4 Ų139.485%0.84581%0.808SS**  trans-31.4134.5-174.4-65.4-85.8000117.4
21L39.3Very low41.6Very low163 Ų163135.6 Ų135.685%0.85381%0.807SS**  -163.9135.1122.9-146.755.3000112.1
22M46.3Very low42.2Very low187 Ų187130.8 Ų130.892%0.92179%0.789SS**  trans-55.6135.2178.1-65.4107.792.200112.6
23G36.4Very low43.5Very low73 Ų73124.9 Ų124.975%0.75377%0.767SS**  trans154.4121.5162.200000115.3
24A37.4Very low44.8Very low103 Ų103120.4 Ų120.485%0.85175%0.754SS**  trans68.8117.3161.500000117.8G26A24-G26 PolarHBondContact O-N 3.4Å
25G40.9Very low46.3Very low93 Ų93115.5 Ų115.596%0.95972%0.723SS**  trans-58.6102.9174.900000112.5
26G38.1Very low47.9Very low66 Ų66109.5 Ų109.568%0.6868%0.684SS**  trans-127.598.8160.800000107.6A24 V28A24-G26 PolarHBondContact O-N 3.4Å; G26-V28 VanDerWaalsContact C-N 3.31Å; G26-V28 PolarHBondContact O-N 3.47Å
27S38.9Very low49.1Very low125 Ų125101 Ų10187%0.87466%0.657SS**  trans-65.795.3169.3-61.20000108.1A29S27-A29 VanDerWaalsContact C-N 3.28Å; S27-A29 PolarHBondContact O-N 3.25Å
28V43.6Very low49.9Very low138 Ų138102.6 Ų102.684%0.83665%0.649SS**  trans-6699.4163.7103.10000105.6G26 K30G26-V28 VanDerWaalsContact C-N 3.31Å; G26-V28 PolarHBondContact O-N 3.47Å; V28-K30 VanDerWaalsContact C-N 3.28Å; V28-K30 PolarHBondContact O-N 3.22Å
29A42.3Very low51.2Low87 Ų87102.7 Ų102.772%0.71964%0.637SS**  trans-64.697.2172.800000106.3S27 A31S27-A29 VanDerWaalsContact C-N 3.28Å; S27-A29 PolarHBondContact O-N 3.25Å; A29-A31 PolarHBondContact O-N 3.17Å
30K46.7Very low52Low179 Ų179104.1 Ų104.178%0.77864%0.635SS**  trans-47.6120.2167-177.1158.5-179.9157.30106.4V28 R32V28-K30 VanDerWaalsContact C-N 3.28Å; V28-K30 PolarHBondContact O-N 3.22Å; K30-R32 WeakPolarHBondContact O-CG 3.35Å; K30-R32 PolarHBondContact O-N 3.36Å
31A51.4Low53.3Low95 Ų95106.8 Ų106.879%0.78563%0.633SS**  trans-48107.6-177.100000108.3A29 S33A29-A31 PolarHBondContact O-N 3.17Å; A31-S33 PolarHBondContact O-N 3.12Å
32R57.8Low54.6Low94 Ų94102.9 Ų102.936%0.35561%0.613SS.*  trans-70.2121.1-172.2-69.5172.364-161.3-8.6107K30 S34 C58K30-R32 WeakPolarHBondContact O-CG 3.35Å; K30-R32 PolarHBondContact O-N 3.36Å; R32-S34 PolarHBondContact O-N 3.22Å; R32-S34 PolarHBondContact O-OG 3.47Å; R32-C58 PolarHBondContact NE-O 3.04Å; R32-C58 PolarHBondContact NH2-O 2.86Å
33S65.4Low55.8Low51 Ų5194.9 Ų94.936%0.35758%0.575SS.*  trans-56.5115.4177.7-51.90000108.9A31 L42 C58A31-S33 PolarHBondContact O-N 3.12Å; S33-L42 PolarHBondContact OG-O 2.7Å; S33-C58 PolarHBondContact O-N 3.01Å; S33-C58 VanDerWaalsContact O-N 3.14Å; S33-C58 PolarHBondContact O-SG 2.98Å
34S61.3Low57.4Low75 Ų7594.6 Ų94.652%0.52456%0.562SS.*BIsolated β-bridgetrans-95.4138.2174-58.60000108R32R32-S34 PolarHBondContact O-N 3.22Å; R32-S34 PolarHBondContact O-OG 3.47Å
35G69.1Low58.7Low13 Ų1399.4 Ų99.413%0.13457%0.566CS.*  trans119.63.9-174.800000115.4L37 F38 D39 F55 G56G35-L37 PolarHBondContact O-N 3.22Å; G35-L37 VanDerWaalsContact O-N 3.15Å; G35-F38 PolarHBondContact O-N 3.38Å; G35-F38 VanDerWaalsContact O-N 3.08Å; G35-D39 PolarHBondContact O-N 3.01Å; G35-F55 CarbonylContact C-O 3Å; G35-F55 WeakPolarHBondContact CA-O 3.47Å; G35-F55 PolarHBondContact N-O 3.49Å; G35-G56 PolarHBondContact N-O 3.35Å
36C74.5Confident59.8Low0 Ų0101.8 Ų101.80%056%0.556CS.*THydrogen-bonded Turntrans-67.5-17.1-173.469.60000114.6F38 D39 C43 C49 F55 G56 Q57C36-F38 PolarHBondContact O-N 3.31Å; C36-D39 CarbonylContact O-C 3.57Å; C36-C43 WeakPolarHBondContact CB-SG 3.02Å; C36-C49 HydrophobicContact CB-CB 3.69Å; C36-C49 WeakPolarHBondContact CB-SG 3.49Å; C36-C49 PolarHBondContact O-SG 3.31Å; C36-C49 VanDerWaalsContact O-SG 3.34Å; C36-C49 WeakPolarHBondContact SG-CA 3.39Å; C36-C49 WeakPolarHBondContact SG-CB 3.34Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 3.41Å; C36-F55 PolarHBondContact N-O 3.44Å; C36-G56 PolarHBondContact N-O 3.46Å; C36-G56 PolarHBondContact SG-O 2.95Å; C36-Q57 PolarHBondContact SG-N 3.28Å; C36-Q57 VanDerWaalsContact SG-N 3.36Å
37L70.3Confident61.5Low65 Ų65101.5 Ų101.534%0.3454%0.537SS..THydrogen-bonded Turntrans-68.9-27175.8-123.4157.7000111.4G35 C49 Q51 F55G35-L37 PolarHBondContact O-N 3.22Å; G35-L37 VanDerWaalsContact O-N 3.15Å; L37-C49 PolarHBondContact N-SG 2.96Å; L37-C49 VanDerWaalsContact N-SG 3.43Å; L37-Q51 HydrophobicContact CD1-CB 3.89Å; L37-Q51 HydrophobicContact CD1-CG 3.71Å; L37-Q51 HydrophobicContact CD2-CG 3.94Å; L37-Q51 HydrophobicContact CG-CB 4.49Å; L37-Q51 HydrophobicContact CG-CG 3.77Å; L37-F55 VanDerWaalsContact CB-O 3.29Å; L37-F55 WeakPolarHBondContact CB-O 3.49Å; L37-F55 PolarHBondContact N-O 2.9Å; L37-F55 VanDerWaalsContact N-O 3.13Å
38F68.5Low63.1Low159 Ų15999.3 Ų99.370%0.69752%0.518SS*.THydrogen-bonded Turntrans-95.7-34.9-179.6-67.6-81.9000112.6G35 C36 F55G35-F38 PolarHBondContact O-N 3.38Å; G35-F38 VanDerWaalsContact O-N 3.08Å; C36-F38 PolarHBondContact O-N 3.31Å; F38-F55 HydrophobicContact CD2-CD1 4.14Å; F38-F55 AromaticContact CE2-CD1 3.75Å; F38-F55 HydrophobicContact CE2-CD1 3.75Å; F38-F55 HydrophobicContact CE2-CE1 4.31Å; F38-F55 HydrophobicContact CE2-CG 4.42Å
39D62Low64.5Low52 Ų5294.5 Ų94.528%0.27849%0.49SS..  trans-144.4114.5172.3-172.6-23000111.2G35 C36 R41 L42G35-D39 PolarHBondContact O-N 3.01Å; C36-D39 CarbonylContact O-C 3.57Å; D39-R41 PolarHBondContact O-N 2.94Å; D39-R41 VanDerWaalsContact OD1-CB 3.26Å; D39-R41 WeakPolarHBondContact OD1-CB 3.26Å; D39-R41 WeakPolarHBondContact OD1-CG 3.33Å; D39-R41 IonicContact OD1-CZ 3.81Å; D39-R41 PolarHBondContact OD1-N 2.96Å; D39-R41 IonicContact OD1-NE 3.01Å; D39-R41 PolarHBondContact OD1-NE 2.79Å; D39-R41 IonicContact OD1-NH2 3.78Å; D39-R41 IonicContact OD2-CZ 3.46Å; D39-R41 IonicContact OD2-NE 3.3Å; D39-R41 PolarHBondContact OD2-NE 2.81Å; D39-R41 IonicContact OD2-NH2 2.75Å; D39-R41 PolarHBondContact OD2-NH2 3.37Å; D39-L42 HydrophobicContact CB-CD1 3.49Å; D39-L42 VanDerWaalsContact CB-CD1 3.49Å; D39-L42 WeakPolarHBondContact O-CD1 3.48Å; D39-L42 PolarHBondContact O-N 2.98Å
40R61.4Low65.9Low211 Ų21193.2 Ų93.280%0.79647%0.471SS*.G310 helixtrans-71.3-10-174.6-64.7179.473.1174.53.3113.3L42R40-L42 VanDerWaalsContact C-N 3.25Å; R40-L42 PolarHBondContact O-N 3.23Å
41R67.4Low66.7Low213 Ų21392 Ų9280%0.80447%0.468SS*.G310 helixtrans-79.4-8177.2-60.1173.8-70.4-159.62.3113D39 C43D39-R41 PolarHBondContact O-N 2.94Å; D39-R41 VanDerWaalsContact OD1-CB 3.26Å; D39-R41 WeakPolarHBondContact OD1-CB 3.26Å; D39-R41 WeakPolarHBondContact OD1-CG 3.33Å; D39-R41 IonicContact OD1-CZ 3.81Å; D39-R41 PolarHBondContact OD1-N 2.96Å; D39-R41 IonicContact OD1-NE 3.01Å; D39-R41 PolarHBondContact OD1-NE 2.79Å; D39-R41 IonicContact OD1-NH2 3.78Å; D39-R41 IonicContact OD2-CZ 3.46Å; D39-R41 IonicContact OD2-NE 3.3Å; D39-R41 PolarHBondContact OD2-NE 2.81Å; D39-R41 IonicContact OD2-NH2 2.75Å; D39-R41 PolarHBondContact OD2-NH2 3.37Å; R41-C43 VanDerWaalsContact C-N 3.3Å
42L67.3Low67.1Low81 Ų8191.7 Ų91.742%0.42445%0.453SS..G310 helixtrans-75.1-19.8173-78.998.2000113.3S33 D39 R40S33-L42 PolarHBondContact OG-O 2.7Å; D39-L42 HydrophobicContact CB-CD1 3.49Å; D39-L42 VanDerWaalsContact CB-CD1 3.49Å; D39-L42 WeakPolarHBondContact O-CD1 3.48Å; D39-L42 PolarHBondContact O-N 2.98Å; R40-L42 VanDerWaalsContact C-N 3.25Å; R40-L42 PolarHBondContact O-N 3.23Å
43C72.1Confident67Low19 Ų1990.1 Ų90.113%0.12847%0.466CS..SBendtrans-92.6144174.8-60.60000111C36 R41 E47 C58C36-C43 WeakPolarHBondContact CB-SG 3.02Å; R41-C43 VanDerWaalsContact C-N 3.3Å; C43-E47 HydrophobicContact CB-CB 4.06Å; C43-C58 WeakPolarHBondContact CA-SG 3.24Å; C43-C58 HydrophobicContact CB-CB 3.86Å; C43-C58 WeakPolarHBondContact CB-SG 3.33Å; C43-C58 VanDerWaalsContact SG-CA 3.54Å; C43-C58 WeakPolarHBondContact SG-CB 3.5Å; C43-C58 CovalentContact SG-SG 2.03Å; C43-C58 PolarHBondContact SG-SG 2.8Å
44S68.3Low66.9Low68 Ų6893.3 Ų93.348%0.47648%0.478SS..  trans-67.8158.1168.1-1710000110.7L46 E47S44-L46 PolarHBondContact O-N 3.38Å; S44-E47 PolarHBondContact N-OE2 3.37Å; S44-E47 PolarHBondContact O-N 3.17Å
45H64.5Low67Low203 Ų20395.4 Ų95.494%0.9448%0.478SS*.THydrogen-bonded Turntrans-60.5-14.6179.1-69.4-89.2000114.3
46L64.8Low67Low144 Ų14494.9 Ų94.975%0.75447%0.473SS*.THydrogen-bonded Turntrans-96.70.5177.5-63.7164.2000112.8S44 G61S44-L46 PolarHBondContact O-N 3.38Å; L46-G61 PolarHBondContact O-N 2.95Å
47E73.3Confident67Low60 Ų6098.3 Ų98.328%0.2849%0.489SS..EExtended strand (participates in β ladder)trans-111.8138.9-177.5-64177.7139.400110.5C43 S44 C58 Q59C43-E47 HydrophobicContact CB-CB 4.06Å; S44-E47 PolarHBondContact N-OE2 3.37Å; S44-E47 PolarHBondContact O-N 3.17Å; E47-C58 HydrophobicContact CB-CB 4.13Å; E47-Q59 CarbonylContact C-O 3.46Å; E47-Q59 WeakPolarHBondContact CA-O 3.19Å
48V72.8Confident67.2Low79 Ų7995.2 Ų95.248%0.47947%0.473SS..EExtended strand (participates in β ladder)trans-98.5134172.7-1790000108.1I50 Q59V48-I50 HydrophobicContact CG1-CD1 4.17Å; V48-I50 PolarHBondContact O-N 3.39Å; V48-Q59 PolarHBondContact N-O 3.02Å; V48-Q59 PolarHBondContact O-N 3.28Å
49C73.3Confident67.2Low37 Ų3790.8 Ų90.825%0.2545%0.454CS..EExtended strand (participates in β ladder)trans-77.6113.2172.5-179.70000109.5C36 L37C36-C49 HydrophobicContact CB-CB 3.69Å; C36-C49 WeakPolarHBondContact CB-SG 3.49Å; C36-C49 PolarHBondContact O-SG 3.31Å; C36-C49 VanDerWaalsContact O-SG 3.34Å; C36-C49 WeakPolarHBondContact SG-CA 3.39Å; C36-C49 WeakPolarHBondContact SG-CB 3.34Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 3.41Å; L37-C49 PolarHBondContact N-SG 2.96Å; L37-C49 VanDerWaalsContact N-SG 3.43Å
50I71.9Confident67.4Low60 Ų6092 Ų9231%0.30847%0.472SS..EExtended strand (participates in β ladder)trans-88.4128.5176.3-55.4-57.9000108.5V48 D52 G56 Q57 Q59V48-I50 HydrophobicContact CG1-CD1 4.17Å; V48-I50 PolarHBondContact O-N 3.39Å; I50-D52 PolarHBondContact O-N 3.1Å; I50-D52 VanDerWaalsContact O-N 3.1Å; I50-G56 CarbonylContact O-C 3.58Å; I50-G56 WeakPolarHBondContact O-CA 3.38Å; I50-Q57 PolarHBondContact N-O 2.89Å; I50-Q57 PolarHBondContact O-N 3.02Å; I50-Q57 VanDerWaalsContact O-N 3.11Å; I50-Q59 HydrophobicContact CG1-CB 3.92Å
51Q63.8Low67.4Low152 Ų15283.6 Ų83.671%0.7145%0.45SS*.  trans-8087.2173.2-70.2-159.333.600110.3L37 G53L37-Q51 HydrophobicContact CD1-CB 3.89Å; L37-Q51 HydrophobicContact CD1-CG 3.71Å; L37-Q51 HydrophobicContact CD2-CG 3.94Å; L37-Q51 HydrophobicContact CG-CB 4.49Å; L37-Q51 HydrophobicContact CG-CG 3.77Å; Q51-G53 PolarHBondContact O-N 3.01Å
52D60.4Low66.4Low90 Ų9080.3 Ų80.348%0.48145%0.454SS..  trans-76.111.1169.7-56.8-68.5000112.7I50 L54 Q57I50-D52 PolarHBondContact O-N 3.1Å; I50-D52 VanDerWaalsContact O-N 3.1Å; D52-L54 PolarHBondContact O-N 3.06Å; D52-Q57 WeakPolarHBondContact OD2-CG 3.35Å; D52-Q57 PolarHBondContact OD2-N 3.37Å
53G53.9Low65.5Low61 Ų6179.6 Ų79.663%0.62947%0.465SS*.SBendtrans74.40.7175.400000116.3Q51Q51-G53 PolarHBondContact O-N 3.01Å
54L64.2Low64.1Low117 Ų11787.1 Ų87.161%0.61350%0.499SS*.SBendtrans-122.8-60.9-178.2-152.572.9000113.6D52D52-L54 PolarHBondContact O-N 3.06Å
55F62.5Low62.9Low120 Ų12088.8 Ų88.853%0.52652%0.517SS..SBendtrans-133.6-13.6177.9-69.6-84.9000113.8G35 C36 L37 F38G35-F55 CarbonylContact C-O 3Å; G35-F55 WeakPolarHBondContact CA-O 3.47Å; G35-F55 PolarHBondContact N-O 3.49Å; C36-F55 PolarHBondContact N-O 3.44Å; L37-F55 VanDerWaalsContact CB-O 3.29Å; L37-F55 WeakPolarHBondContact CB-O 3.49Å; L37-F55 PolarHBondContact N-O 2.9Å; L37-F55 VanDerWaalsContact N-O 3.13Å; F38-F55 HydrophobicContact CD2-CD1 4.14Å; F38-F55 AromaticContact CE2-CD1 3.75Å; F38-F55 HydrophobicContact CE2-CD1 3.75Å; F38-F55 HydrophobicContact CE2-CE1 4.31Å; F38-F55 HydrophobicContact CE2-CG 4.42Å
56G69Low62.1Low1 Ų188.9 Ų88.91%0.0151%0.509CS..  trans70.7136.4-175.200000113.2G35 C36 I50G35-G56 PolarHBondContact N-O 3.35Å; C36-G56 PolarHBondContact N-O 3.46Å; C36-G56 PolarHBondContact SG-O 2.95Å; I50-G56 CarbonylContact O-C 3.58Å; I50-G56 WeakPolarHBondContact O-CA 3.38Å
57Q74.8Confident61.3Low73 Ų7387.7 Ų87.734%0.34151%0.51SS..EExtended strand (participates in β ladder)trans-115.2138.1-179.7-64.4-177.412.400111.9C36 I50 D52 Q59C36-Q57 PolarHBondContact SG-N 3.28Å; C36-Q57 VanDerWaalsContact SG-N 3.36Å; I50-Q57 PolarHBondContact N-O 2.89Å; I50-Q57 PolarHBondContact O-N 3.02Å; I50-Q57 VanDerWaalsContact O-N 3.11Å; D52-Q57 WeakPolarHBondContact OD2-CG 3.35Å; D52-Q57 PolarHBondContact OD2-N 3.37Å; Q57-Q59 PolarHBondContact O-N 3.47Å
58C74.7Confident59.9Low0 Ų092.7 Ų92.70%054%0.538CS..EExtended strand (participates in β ladder)trans-70.9123.3169-55.10000109.2R32 S33 C43 E47R32-C58 PolarHBondContact NE-O 3.04Å; R32-C58 PolarHBondContact NH2-O 2.86Å; S33-C58 PolarHBondContact O-N 3.01Å; S33-C58 VanDerWaalsContact O-N 3.14Å; S33-C58 PolarHBondContact O-SG 2.98Å; C43-C58 WeakPolarHBondContact CA-SG 3.24Å; C43-C58 HydrophobicContact CB-CB 3.86Å; C43-C58 WeakPolarHBondContact CB-SG 3.33Å; C43-C58 VanDerWaalsContact SG-CA 3.54Å; C43-C58 WeakPolarHBondContact SG-CB 3.5Å; C43-C58 CovalentContact SG-SG 2.03Å; C43-C58 PolarHBondContact SG-SG 2.8Å; E47-C58 HydrophobicContact CB-CB 4.13Å
59Q69.3Low58.8Low65 Ų6594.8 Ų94.830%0.30455%0.546SS..EExtended strand (participates in β ladder)trans-120.5133173-161.8155.35400109.5E47 V48 I50 Q57 G61E47-Q59 CarbonylContact C-O 3.46Å; E47-Q59 WeakPolarHBondContact CA-O 3.19Å; V48-Q59 PolarHBondContact N-O 3.02Å; V48-Q59 PolarHBondContact O-N 3.28Å; I50-Q59 HydrophobicContact CG1-CB 3.92Å; Q57-Q59 PolarHBondContact O-N 3.47Å; Q59-G61 PolarHBondContact O-N 3.48Å
60A64.9Low57.6Low79 Ų79100.3 Ų100.365%0.65357%0.568SS**EExtended strand (participates in β ladder)trans-55.9113.1171.600000109V62A60-V62 PolarHBondContact O-N 3.44Å
61G61.5Low56.6Low34 Ų3499.4 Ų99.435%0.35157%0.565SS.*  trans-96.881.6-165.800000111.6L46 Q59L46-G61 PolarHBondContact O-N 2.95Å; Q59-G61 PolarHBondContact O-N 3.48Å
62V46.3Very low56.1Low144 Ų14495.5 Ų95.587%0.87355%0.552SS**SBendtrans-152.9110.2151.3-167.10000109.2A60A60-V62 PolarHBondContact O-N 3.44Å
63G49.1Very low56Low65 Ų6595.3 Ų95.367%0.6756%0.558SS**SBendtrans92.618.714300000121.4
64Q43.7Very low56.3Low177 Ų17796.7 Ų96.783%0.82756%0.555SS**  trans-123.990.7168.7-66.9-71.157.100111.5R66Q64-R66 PolarHBondContact O-N 3.48Å
65A43.1Very low56.4Low104 Ų10492.5 Ų92.586%0.8654%0.535SS*.  trans-53.6103.7166.100000109.3
66R46.9Very low56.5Low204 Ų20490.9 Ų90.977%0.7753%0.531SS*.  trans-79.1134.5162.1-75.5-168.7171.9-155.3-3.2107.6Q64 L68Q64-R66 PolarHBondContact O-N 3.48Å; R66-L68 PolarHBondContact O-N 2.86Å
67P47.2Very low56.3Low120 Ų12096 Ų9678%0.77955%0.554SS**  trans-59.6126.417625.3-30.9000107.5L69P67-L69 PolarHBondContact O-N 3.23Å
68L45.5Very low56.1Low164 Ų164100.5 Ų100.586%0.85957%0.568SS**  trans-55108174.7-91.189.4000107.8R66 Q70R66-L68 PolarHBondContact O-N 2.86Å; L68-Q70 VanDerWaalsContact C-N 3.26Å; L68-Q70 PolarHBondContact O-N 3.46Å
69L48.7Very low56Low124 Ų124101.6 Ų101.665%0.64957%0.574SS**  trans-67.296163.3-166.272.7000105.2P67 V71P67-L69 PolarHBondContact O-N 3.23Å; L69-V71 HydrophobicContact CD2-CG2 4.36Å; L69-V71 HydrophobicContact CG-CG2 4.37Å; L69-V71 WeakPolarHBondContact O-CG2 3.27Å; L69-V71 PolarHBondContact O-N 3.44Å
70Q48.5Very low56.1Low152 Ų152102.2 Ų102.271%0.7158%0.577SS**  trans-72.278.4176.1-130.2-164.89.200107.8L68 T72L68-Q70 VanDerWaalsContact C-N 3.26Å; L68-Q70 PolarHBondContact O-N 3.46Å; Q70-T72 PolarHBondContact O-N 2.92Å
71V50.7Low56.5Low41 Ų4199.8 Ų99.825%0.24856%0.56CS.*  trans-66.7102.7167.6-140.50000104.8L69 S73 V75 L76 I109L69-V71 HydrophobicContact CD2-CG2 4.36Å; L69-V71 HydrophobicContact CG-CG2 4.37Å; L69-V71 WeakPolarHBondContact O-CG2 3.27Å; L69-V71 PolarHBondContact O-N 3.44Å; V71-S73 PolarHBondContact O-N 3.1Å; V71-S73 VanDerWaalsContact O-N 3.12Å; V71-V75 HydrophobicContact CG1-CG1 4.36Å; V71-L76 HydrophobicContact CB-CD1 3.81Å; V71-L76 HydrophobicContact CB-CD2 4.39Å; V71-L76 HydrophobicContact CB-CG 3.87Å; V71-L76 HydrophobicContact CG1-CD1 4.34Å; V71-L76 HydrophobicContact CG1-CD2 4.1Å; V71-L76 HydrophobicContact CG1-CG 3.84Å; V71-L76 HydrophobicContact CG2-CD1 4.25Å; V71-I109 HydrophobicContact CG1-CD1 4.05Å; V71-I109 HydrophobicContact CG1-CG2 4.35Å
72T53.8Low57.3Low71 Ų71100 Ų10044%0.43655%0.554SS.*  trans-56.6123.8-179.323.20000108.3Q70 P74 V75Q70-T72 PolarHBondContact O-N 2.92Å; T72-P74 VanDerWaalsContact O-CD 3.26Å; T72-P74 WeakPolarHBondContact O-CD 3.35Å; T72-V75 PolarHBondContact O-N 2.77Å
73S58.6Low58.8Low86 Ų8694.5 Ų94.560%0.60152%0.519SS*.Hα-helixtrans-26.3-45.8177.1-175.70000116.5V71 V75 Q77V71-S73 PolarHBondContact O-N 3.1Å; V71-S73 VanDerWaalsContact O-N 3.12Å; S73-V75 PolarHBondContact O-N 3.38Å; S73-Q77 WeakPolarHBondContact O-CG 3.49Å; S73-Q77 PolarHBondContact O-N 2.95Å
74P59.1Low60.1Low89 Ų8997.3 Ų97.358%0.57851%0.51SS*.Hα-helixtrans-63.8-29.7178.322.9-36.9000116T72 R78T72-P74 VanDerWaalsContact O-CD 3.26Å; T72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-R78 PolarHBondContact O-N 3.28Å
75V66.6Low61.6Low30 Ų3094.8 Ų94.818%0.18250%0.498CS..Hα-helixtrans-74.8-43.8-178.8172.40000110.7V71 T72 S73 Q77 R78 L79 I109V71-V75 HydrophobicContact CG1-CG1 4.36Å; T72-V75 PolarHBondContact O-N 2.77Å; S73-V75 PolarHBondContact O-N 3.38Å; V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 PolarHBondContact O-N 3.21Å; V75-R78 PolarHBondContact O-N 3.33Å; V75-L79 PolarHBondContact O-N 3.05Å; V75-I109 HydrophobicContact CG1-CB 4.33Å; V75-I109 HydrophobicContact CG1-CD1 3.74Å; V75-I109 HydrophobicContact CG1-CG1 3.55Å; V75-I109 HydrophobicContact CG1-CG2 4.27Å
76L64Low63.3Low85 Ų8590.6 Ų90.645%0.44546%0.461SS..Hα-helixtrans-63.1-37.5174.2-76.2172.9000111.8V71 R78 L79 Q80V71-L76 HydrophobicContact CB-CD1 3.81Å; V71-L76 HydrophobicContact CB-CD2 4.39Å; V71-L76 HydrophobicContact CB-CG 3.87Å; V71-L76 HydrophobicContact CG1-CD1 4.34Å; V71-L76 HydrophobicContact CG1-CD2 4.1Å; V71-L76 HydrophobicContact CG1-CG 3.84Å; V71-L76 HydrophobicContact CG2-CD1 4.25Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.12Å; L76-L79 PolarHBondContact O-N 2.92Å; L76-Q80 VanDerWaalsContact O-CB 3.24Å; L76-Q80 WeakPolarHBondContact O-CB 3.35Å; L76-Q80 PolarHBondContact O-N 3.42Å
77Q64.4Low64.6Low108 Ų10886.2 Ų86.251%0.50545%0.451SS..Hα-helixtrans-61.8-40.5175.5-75.4-65.3-34.200112.4S73 V75 Q80 G81S73-Q77 WeakPolarHBondContact O-CG 3.49Å; S73-Q77 PolarHBondContact O-N 2.95Å; V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 PolarHBondContact O-N 3.21Å; Q77-Q80 PolarHBondContact O-N 2.95Å; Q77-G81 PolarHBondContact O-N 3.17Å
78R70.9Confident66Low169 Ų16985.1 Ų85.164%0.63845%0.446SS*.Hα-helixtrans-67.5-47.9177.6-168.1178.4-64.7-81.7-2.6111.7P74 V75 L76 Q80 G81 V82 E105P74-R78 PolarHBondContact O-N 3.28Å; V75-R78 PolarHBondContact O-N 3.33Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.12Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 3.42Å; R78-G81 PolarHBondContact O-N 2.93Å; R78-G81 VanDerWaalsContact O-N 3.1Å; R78-V82 WeakPolarHBondContact O-CG2 3.39Å; R78-V82 PolarHBondContact O-N 3.07Å; R78-E105 WeakPolarHBondContact CD-OE1 3.21Å; R78-E105 WeakPolarHBondContact CG-OE1 3.36Å
79L73.8Confident67.6Low22 Ų2283 Ų8312%0.11543%0.432CS..Hα-helixtrans-58.1-43.5175.2-17668.3000111.3V75 L76 G81 V82 L83 E105 M106V75-L79 PolarHBondContact O-N 3.05Å; L76-L79 PolarHBondContact O-N 2.92Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 2.92Å; L79-V82 PolarHBondContact O-N 2.89Å; L79-L83 HydrophobicContact CG-CD1 4.1Å; L79-L83 WeakPolarHBondContact O-CB 3.38Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.2Å; L79-L83 PolarHBondContact O-N 3.19Å; L79-E105 HydrophobicContact CB-CG 4.24Å; L79-E105 HydrophobicContact CD1-CB 3.71Å; L79-E105 HydrophobicContact CD1-CG 3.63Å; L79-M106 HydrophobicContact CD2-SD 3.91Å
80Q71.3Confident69.2Low79 Ų7980.4 Ų80.437%0.36944%0.435SS..Hα-helixtrans-65.2-33.5178-159-177.962.100112.5L76 Q77 R78 R84L76-Q80 VanDerWaalsContact O-CB 3.24Å; L76-Q80 WeakPolarHBondContact O-CB 3.35Å; L76-Q80 PolarHBondContact O-N 3.42Å; Q77-Q80 PolarHBondContact O-N 2.95Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 3.42Å; Q80-R84 VanDerWaalsContact CD-NH1 3.25Å; Q80-R84 WeakPolarHBondContact O-CB 3.36Å; Q80-R84 WeakPolarHBondContact O-CG 3.39Å; Q80-R84 PolarHBondContact O-N 3.5Å; Q80-R84 PolarHBondContact O-NE 3.25Å
81G74Confident70.6Confident28 Ų2875.2 Ų75.229%0.28941%0.411SS..Hα-helixtrans-63.4-49.4171.600000112.5Q77 R78 L79 L83 R84 Q85Q77-G81 PolarHBondContact O-N 3.17Å; R78-G81 PolarHBondContact O-N 2.93Å; R78-G81 VanDerWaalsContact O-N 3.1Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 2.92Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.47Å; G81-R84 PolarHBondContact O-N 3.34Å; G81-Q85 PolarHBondContact O-N 2.95Å
82V78.1Confident71.6Confident39 Ų3975.9 Ų75.924%0.23642%0.418CS..Hα-helixtrans-59.5-44.6177.8174.50000110.8R78 L79 Q85 L86 V101R78-V82 WeakPolarHBondContact O-CG2 3.39Å; R78-V82 PolarHBondContact O-N 3.07Å; L79-V82 PolarHBondContact O-N 2.89Å; V82-Q85 WeakPolarHBondContact O-CB 3.44Å; V82-Q85 PolarHBondContact O-N 2.87Å; V82-L86 HydrophobicContact CG1-CD1 3.89Å; V82-L86 HydrophobicContact CG1-CG 4.34Å; V82-L86 WeakPolarHBondContact O-CG 3.42Å; V82-L86 PolarHBondContact O-N 3.37Å; V82-V101 HydrophobicContact CG1-CG1 3.49Å; V82-V101 VanDerWaalsContact CG1-CG1 3.49Å
83L76.3Confident72.4Confident27 Ų2778.9 Ų78.914%0.14142%0.421CS..Hα-helixtrans-64.1-43.1178.8-71.3172.4000113.2L79 G81 Q85 L86 M87 W93 I102L79-L83 HydrophobicContact CG-CD1 4.1Å; L79-L83 WeakPolarHBondContact O-CB 3.38Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.2Å; L79-L83 PolarHBondContact O-N 3.19Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.47Å; L83-Q85 PolarHBondContact O-N 3.2Å; L83-L86 PolarHBondContact O-N 3.17Å; L83-M87 HydrophobicContact CB-CE 4.49Å; L83-M87 WeakPolarHBondContact O-CB 3.47Å; L83-M87 WeakPolarHBondContact O-CE 3.3Å; L83-M87 VanDerWaalsContact O-CG 3.3Å; L83-M87 WeakPolarHBondContact O-CG 3.49Å; L83-M87 PolarHBondContact O-N 2.73Å; L83-W93 HydrophobicContact CD1-CZ3 3.69Å; L83-W93 HydrophobicContact CD2-CE3 3.72Å; L83-W93 HydrophobicContact CD2-CZ3 3.4Å; L83-W93 VanDerWaalsContact CD2-CZ3 3.4Å; L83-W93 HydrophobicContact CG-CZ3 4.17Å; L83-I102 HydrophobicContact CD2-CD1 3.71Å; L83-I102 HydrophobicContact CD2-CG1 3.66Å
84R76.9Confident72.7Confident124 Ų12482.3 Ų82.347%0.46843%0.428SS..Hα-helixtrans-59-40.7173.6-79.6-178.7-71.8-114.2-3.7111.3Q80 G81 S88Q80-R84 VanDerWaalsContact CD-NH1 3.25Å; Q80-R84 WeakPolarHBondContact O-CB 3.36Å; Q80-R84 WeakPolarHBondContact O-CG 3.39Å; Q80-R84 PolarHBondContact O-N 3.5Å; Q80-R84 PolarHBondContact O-NE 3.25Å; G81-R84 PolarHBondContact O-N 3.34Å; R84-S88 WeakPolarHBondContact O-CB 3.29Å; R84-S88 PolarHBondContact O-N 3.13Å; R84-S88 PolarHBondContact O-OG 3.22Å
85Q76.2Confident73.6Confident124 Ų12481.3 Ų81.358%0.57942%0.418SS*.Hα-helixtrans-68.1-42.5179.8-165.1171.5-54.400111.9G81 V82 L83 S88 Q89G81-Q85 PolarHBondContact O-N 2.95Å; V82-Q85 WeakPolarHBondContact O-CB 3.44Å; V82-Q85 PolarHBondContact O-N 2.87Å; L83-Q85 PolarHBondContact O-N 3.2Å; Q85-S88 WeakPolarHBondContact CA-OG 3.35Å; Q85-S88 PolarHBondContact O-N 3.17Å; Q85-S88 PolarHBondContact O-OG 3.1Å; Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 3.09Å; Q85-Q89 PolarHBondContact O-NE2 3.2Å
86L77.4Confident74.2Confident17 Ų1786.7 Ų86.79%0.08945%0.445CS..Hα-helixtrans-64.4-44.6175.7-67170.4000111.6V82 L83 S88 Q89 L91 T98 V101V82-L86 HydrophobicContact CG1-CD1 3.89Å; V82-L86 HydrophobicContact CG1-CG 4.34Å; V82-L86 WeakPolarHBondContact O-CG 3.42Å; V82-L86 PolarHBondContact O-N 3.37Å; L83-L86 PolarHBondContact O-N 3.17Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.17Å; L86-Q89 WeakPolarHBondContact O-CB 3.17Å; L86-Q89 PolarHBondContact O-N 2.8Å; L86-Q89 VanDerWaalsContact O-N 3.12Å; L86-L91 HydrophobicContact CB-CB 4.48Å; L86-L91 HydrophobicContact CB-CD1 4.4Å; L86-L91 HydrophobicContact CD2-CD1 3.58Å; L86-L91 WeakPolarHBondContact O-CB 3.28Å; L86-L91 PolarHBondContact O-N 2.93Å; L86-T98 HydrophobicContact CD1-CG2 3.96Å; L86-V101 HydrophobicContact CD1-CB 4.26Å; L86-V101 HydrophobicContact CD1-CG1 4.05Å
87M75.4Confident75Confident112 Ų11287.4 Ų87.455%0.55245%0.449SS*.Hα-helixtrans-65.3-35176.6-68.8-174-64.800112.5L83 Q89 G90L83-M87 HydrophobicContact CB-CE 4.49Å; L83-M87 WeakPolarHBondContact O-CB 3.47Å; L83-M87 WeakPolarHBondContact O-CE 3.3Å; L83-M87 VanDerWaalsContact O-CG 3.3Å; L83-M87 WeakPolarHBondContact O-CG 3.49Å; L83-M87 PolarHBondContact O-N 2.73Å; M87-Q89 PolarHBondContact O-N 3.42Å; M87-G90 PolarHBondContact O-N 2.96Å
88S75.2Confident75.8Confident96 Ų9682.4 Ų82.467%0.67143%0.426SS*.Hα-helixtrans-66.7-22.5174.7730000113.5R84 Q85 L86 G90R84-S88 WeakPolarHBondContact O-CB 3.29Å; R84-S88 PolarHBondContact O-N 3.13Å; R84-S88 PolarHBondContact O-OG 3.22Å; Q85-S88 WeakPolarHBondContact CA-OG 3.35Å; Q85-S88 PolarHBondContact O-N 3.17Å; Q85-S88 PolarHBondContact O-OG 3.1Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.17Å; S88-G90 VanDerWaalsContact C-N 3.25Å
89Q80.5Confident76.3Confident121 Ų12177.5 Ų77.557%0.56541%0.41SS*.THydrogen-bonded Turntrans-85.41.4174.1-67.7171.644.800112.4Q85 L86 M87 L91Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 3.09Å; Q85-Q89 PolarHBondContact O-NE2 3.2Å; L86-Q89 WeakPolarHBondContact O-CB 3.17Å; L86-Q89 PolarHBondContact O-N 2.8Å; L86-Q89 VanDerWaalsContact O-N 3.12Å; M87-Q89 PolarHBondContact O-N 3.42Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 HydrophobicContact CB-CG 4.43Å; Q89-L91 PolarHBondContact O-N 3.39Å
90G80.9Confident76.6Confident69 Ų6982.1 Ų82.171%0.71143%0.431SS*.THydrogen-bonded Turntrans79.38.4-17800000113.9M87 S88M87-G90 PolarHBondContact O-N 2.96Å; S88-G90 VanDerWaalsContact C-N 3.25Å
91L77.8Confident77Confident42 Ų4280.1 Ų80.122%0.2242%0.424CS..  trans-73132.1175.3-62.9171.8000109.4L86 Q89 L97L86-L91 HydrophobicContact CB-CB 4.48Å; L86-L91 HydrophobicContact CB-CD1 4.4Å; L86-L91 HydrophobicContact CD2-CD1 3.58Å; L86-L91 WeakPolarHBondContact O-CB 3.28Å; L86-L91 PolarHBondContact O-N 2.93Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 HydrophobicContact CB-CG 4.43Å; Q89-L91 PolarHBondContact O-N 3.39Å; L91-L97 HydrophobicContact CD1-CD2 4.22Å
92S72.3Confident77.1Confident56 Ų5679.5 Ų79.539%0.39241%0.414SS..  trans-73.3149.5176.682.50000109.7H94 D95 T98S92-H94 PolarHBondContact O-N 3.11Å; S92-H94 VanDerWaalsContact O-N 3.17Å; S92-H94 PolarHBondContact OG-N 3.36Å; S92-D95 WeakPolarHBondContact O-CB 3.49Å; S92-D95 PolarHBondContact O-N 3.38Å; S92-D95 PolarHBondContact OG-N 3.2Å; S92-D95 VanDerWaalsContact OG-N 3.09Å; S92-T98 VanDerWaalsContact O-CB 3.28Å; S92-T98 WeakPolarHBondContact O-CB 3.32Å; S92-T98 PolarHBondContact O-OG1 3.19Å
93W70.1Confident76.8Confident133 Ų13380.6 Ų80.650%0.50442%0.423SS..THydrogen-bonded Turntrans-54.7-31.9169.9168.3-94.2000111.4L83 D95 Q99 I102L83-W93 HydrophobicContact CD1-CZ3 3.69Å; L83-W93 HydrophobicContact CD2-CE3 3.72Å; L83-W93 HydrophobicContact CD2-CZ3 3.4Å; L83-W93 VanDerWaalsContact CD2-CZ3 3.4Å; L83-W93 HydrophobicContact CG-CZ3 4.17Å; W93-D95 VanDerWaalsContact C-N 3.33Å; W93-Q99 PolarHBondContact O-NE2 3.44Å; W93-I102 HydrophobicContact CD2-CD1 4.19Å; W93-I102 HydrophobicContact CE3-CD1 3.65Å; W93-I102 HydrophobicContact CH2-CD1 3.57Å; W93-I102 HydrophobicContact CH2-CG1 4.39Å; W93-I102 HydrophobicContact CH2-CG2 4.38Å; W93-I102 HydrophobicContact CZ2-CD1 4.09Å; W93-I102 HydrophobicContact CZ3-CD1 3.33Å; W93-I102 HydrophobicContact CZ3-CG1 4.19Å
94H65.8Low76.9Confident159 Ų15984.4 Ų84.474%0.73644%0.441SS*.THydrogen-bonded Turntrans-89.22.6-173.8-137-76.9000113.9S92S92-H94 PolarHBondContact O-N 3.11Å; S92-H94 VanDerWaalsContact O-N 3.17Å; S92-H94 PolarHBondContact OG-N 3.36Å
95D78.1Confident76.7Confident68 Ų6879.7 Ų79.736%0.36442%0.424SS..SBendtrans-73.1141.6-179.6-140-86.2000110.9S92 W93 L97 T98 Q99S92-D95 WeakPolarHBondContact O-CB 3.49Å; S92-D95 PolarHBondContact O-N 3.38Å; S92-D95 PolarHBondContact OG-N 3.2Å; S92-D95 VanDerWaalsContact OG-N 3.09Å; W93-D95 VanDerWaalsContact C-N 3.33Å; D95-L97 PolarHBondContact O-N 3.3Å; D95-T98 WeakPolarHBondContact O-CB 3.29Å; D95-T98 PolarHBondContact O-N 3.48Å; D95-Q99 WeakPolarHBondContact O-CG 3.42Å; D95-Q99 PolarHBondContact O-N 3.34Å
96D79.2Confident76.2Confident142 Ų14276.8 Ų76.876%0.75941%0.411SS*.Hα-helixtrans-60.2-36.7-176.8-65.9-47.9000111.6H100D96-H100 WeakPolarHBondContact O-CB 3.44Å; D96-H100 PolarHBondContact O-N 2.03Å
97L81.6Confident75.8Confident100 Ų10083.5 Ų83.552%0.52444%0.442SS..Hα-helixtrans-65.4-45.1175.3179.761.1000111.8L91 D95 H100 V101L91-L97 HydrophobicContact CD1-CD2 4.22Å; D95-L97 PolarHBondContact O-N 3.3Å; L97-H100 PolarHBondContact O-N 3.08Å; L97-V101 WeakPolarHBondContact O-CG2 3.03Å; L97-V101 PolarHBondContact O-N 3.05Å; L97-V101 VanDerWaalsContact O-N 3.1Å
98T79.3Confident75.3Confident3 Ų387 Ų872%0.01845%0.449CS..Hα-helixtrans-63.3-44.8177.7-590000110.7L86 S92 D95 H100 V101 I102L86-T98 HydrophobicContact CD1-CG2 3.96Å; S92-T98 VanDerWaalsContact O-CB 3.28Å; S92-T98 WeakPolarHBondContact O-CB 3.32Å; S92-T98 PolarHBondContact O-OG1 3.19Å; D95-T98 WeakPolarHBondContact O-CB 3.29Å; D95-T98 PolarHBondContact O-N 3.48Å; T98-H100 PolarHBondContact O-N 3.15Å; T98-V101 PolarHBondContact O-N 3.43Å; T98-I102 HydrophobicContact CG2-CD1 3.69Å; T98-I102 HydrophobicContact CG2-CG1 4.46Å; T98-I102 VanDerWaalsContact O-CD1 3.29Å; T98-I102 WeakPolarHBondContact O-CD1 3.09Å; T98-I102 WeakPolarHBondContact O-CG1 2.97Å; T98-I102 PolarHBondContact O-N 3.14Å
99Q81.4Confident74.6Confident67 Ų6783.4 Ų83.431%0.31342%0.422SS..Hα-helixtrans-63.1-38.9177.6-72.1-61.7-53.900112.5W93 D95 I102 S103W93-Q99 PolarHBondContact O-NE2 3.44Å; D95-Q99 WeakPolarHBondContact O-CG 3.42Å; D95-Q99 PolarHBondContact O-N 3.34Å; Q99-I102 PolarHBondContact O-N 2.03Å; Q99-S103 WeakPolarHBondContact O-CB 3.07Å; Q99-S103 PolarHBondContact O-N 3.43Å; Q99-S103 PolarHBondContact O-OG 2.87Å
100H81.3Confident73.4Confident119 Ų11982 Ų8255%0.55142%0.424SS*.Hα-helixtrans-62.8-47.8175.1-176.474.6000111.9D96 L97 T98 I102 S103 Q104D96-H100 WeakPolarHBondContact O-CB 3.44Å; D96-H100 PolarHBondContact O-N 2.03Å; L97-H100 PolarHBondContact O-N 3.08Å; T98-H100 PolarHBondContact O-N 3.15Å; H100-I102 VanDerWaalsContact C-N 3.34Å; H100-I102 PolarHBondContact O-N 2.9Å; H100-S103 PolarHBondContact O-N 3.27Å; H100-Q104 WeakPolarHBondContact O-CB 3.23Å; H100-Q104 PolarHBondContact O-N 3.33Å
101V79.9Confident72.1Confident37 Ų3786.3 Ų86.322%0.22442%0.418CS..Hα-helixtrans-63.3-40.1178.9173.40000111.4V82 L86 L97 T98 Q104 E105V82-V101 HydrophobicContact CG1-CG1 3.49Å; V82-V101 VanDerWaalsContact CG1-CG1 3.49Å; L86-V101 HydrophobicContact CD1-CB 4.26Å; L86-V101 HydrophobicContact CD1-CG1 4.05Å; L97-V101 WeakPolarHBondContact O-CG2 3.03Å; L97-V101 PolarHBondContact O-N 3.05Å; L97-V101 VanDerWaalsContact O-N 3.1Å; T98-V101 PolarHBondContact O-N 3.43Å; V101-Q104 PolarHBondContact O-N 3.49Å; V101-E105 WeakPolarHBondContact O-CB 3.05Å; V101-E105 PolarHBondContact O-N 3Å
102I75.8Confident70.6Confident15 Ų1591 Ų918%0.07744%0.442CS..Hα-helixtrans-61.5-47.1174.4-68.8158.9000110.6L83 W93 T98 Q99 H100 Q104 E105 M106L83-I102 HydrophobicContact CD2-CD1 3.71Å; L83-I102 HydrophobicContact CD2-CG1 3.66Å; W93-I102 HydrophobicContact CD2-CD1 4.19Å; W93-I102 HydrophobicContact CE3-CD1 3.65Å; W93-I102 HydrophobicContact CH2-CD1 3.57Å; W93-I102 HydrophobicContact CH2-CG1 4.39Å; W93-I102 HydrophobicContact CH2-CG2 4.38Å; W93-I102 HydrophobicContact CZ2-CD1 4.09Å; W93-I102 HydrophobicContact CZ3-CD1 3.33Å; W93-I102 HydrophobicContact CZ3-CG1 4.19Å; T98-I102 HydrophobicContact CG2-CD1 3.69Å; T98-I102 HydrophobicContact CG2-CG1 4.46Å; T98-I102 VanDerWaalsContact O-CD1 3.29Å; T98-I102 WeakPolarHBondContact O-CD1 3.09Å; T98-I102 WeakPolarHBondContact O-CG1 2.97Å; T98-I102 PolarHBondContact O-N 3.14Å; Q99-I102 PolarHBondContact O-N 2.03Å; H100-I102 VanDerWaalsContact C-N 3.34Å; H100-I102 PolarHBondContact O-N 2.9Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 2.78Å; I102-E105 PolarHBondContact O-N 3.02Å; I102-M106 HydrophobicContact CG2-CG 4.16Å; I102-M106 WeakPolarHBondContact O-CB 2.99Å; I102-M106 WeakPolarHBondContact O-CG 3.48Å; I102-M106 PolarHBondContact O-N 2.75Å
103S72.5Confident69.1Low62 Ų6298.7 Ų98.743%0.43446%0.463SS..Hα-helixtrans-61.5-43.9-178.5-59.70000111.1Q99 H100 E105 M106 E107Q99-S103 WeakPolarHBondContact O-CB 3.07Å; Q99-S103 PolarHBondContact O-N 3.43Å; Q99-S103 PolarHBondContact O-OG 2.87Å; H100-S103 PolarHBondContact O-N 3.27Å; S103-E105 PolarHBondContact O-N 2.83Å; S103-M106 WeakPolarHBondContact O-CB 3.19Å; S103-M106 PolarHBondContact O-N 3.3Å; S103-E107 PolarHBondContact O-N 2.96Å
104Q76.9Confident67.9Low107 Ų10797.6 Ų97.650%0.547%0.473SS..Hα-helixtrans-62.6-42.1176.1-168.1174.53700111.9H100 V101 I102 M106 E107 R108H100-Q104 WeakPolarHBondContact O-CB 3.23Å; H100-Q104 PolarHBondContact O-N 3.33Å; V101-Q104 PolarHBondContact O-N 3.49Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 2.78Å; Q104-M106 VanDerWaalsContact C-N 3.31Å; Q104-M106 PolarHBondContact O-N 3.01Å; Q104-E107 PolarHBondContact O-N 3.31Å; Q104-R108 WeakPolarHBondContact O-CG 3.43Å; Q104-R108 PolarHBondContact O-N 3.2Å
105E74.2Confident66.9Low24 Ų2495.5 Ų95.511%0.11247%0.474CS..Hα-helixtrans-69.4-30.9178-16365.9-171.800111.9R78 L79 V101 I102 S103 R108R78-E105 WeakPolarHBondContact CD-OE1 3.21Å; R78-E105 WeakPolarHBondContact CG-OE1 3.36Å; L79-E105 HydrophobicContact CB-CG 4.24Å; L79-E105 HydrophobicContact CD1-CB 3.71Å; L79-E105 HydrophobicContact CD1-CG 3.63Å; V101-E105 WeakPolarHBondContact O-CB 3.05Å; V101-E105 PolarHBondContact O-N 3Å; I102-E105 PolarHBondContact O-N 3.02Å; S103-E105 PolarHBondContact O-N 2.83Å; E105-R108 PolarHBondContact O-N 2.91Å
106M65.5Low65.6Low63 Ų6399.9 Ų99.931%0.3149%0.492SS..Hα-helixtrans-73.5-23.9174-74.2-61.9-51.700114.2L79 I102 S103 Q104 I109 R111L79-M106 HydrophobicContact CD2-SD 3.91Å; I102-M106 HydrophobicContact CG2-CG 4.16Å; I102-M106 WeakPolarHBondContact O-CB 2.99Å; I102-M106 WeakPolarHBondContact O-CG 3.48Å; I102-M106 PolarHBondContact O-N 2.75Å; S103-M106 WeakPolarHBondContact O-CB 3.19Å; S103-M106 PolarHBondContact O-N 3.3Å; Q104-M106 VanDerWaalsContact C-N 3.31Å; Q104-M106 PolarHBondContact O-N 3.01Å; M106-I109 HydrophobicContact CE-CD1 3.6Å; M106-I109 WeakPolarHBondContact O-CG1 3.26Å; M106-I109 HydrophobicContact SD-CD1 3.69Å; M106-R111 PolarHBondContact O-NH2 2.99Å
107E67.9Low64.3Low158 Ų15898.9 Ų98.974%0.73849%0.493SS*.Hα-helixtrans-77.8-26.9173.1-78.6-178.4171.200112.6S103 Q104 I109S103-E107 PolarHBondContact O-N 2.96Å; Q104-E107 PolarHBondContact O-N 3.31Å; E107-I109 PolarHBondContact O-N 3.48Å
108R64.8Low62.7Low186 Ų186101.8 Ų101.870%0.70250%0.504SS*.SBendtrans-74.6-3.3178.6-65.2179.2105.8168.89.1113.8Q104 E105 P110Q104-R108 WeakPolarHBondContact O-CG 3.43Å; Q104-R108 PolarHBondContact O-N 3.2Å; E105-R108 PolarHBondContact O-N 2.91Å; R108-P110 WeakPolarHBondContact O-CD 3.14Å
109I61.4Low61.5Low21 Ų21107.6 Ų107.611%0.10854%0.541CS..SBendtrans-74.9118.5178.4-49.6-168.3000109.1V71 V75 M106 E107 R111V71-I109 HydrophobicContact CG1-CD1 4.05Å; V71-I109 HydrophobicContact CG1-CG2 4.35Å; V75-I109 HydrophobicContact CG1-CB 4.33Å; V75-I109 HydrophobicContact CG1-CD1 3.74Å; V75-I109 HydrophobicContact CG1-CG1 3.55Å; V75-I109 HydrophobicContact CG1-CG2 4.27Å; M106-I109 HydrophobicContact CE-CD1 3.6Å; M106-I109 WeakPolarHBondContact O-CG1 3.26Å; M106-I109 HydrophobicContact SD-CD1 3.69Å; E107-I109 PolarHBondContact O-N 3.48Å; I109-R111 PolarHBondContact O-N 2.91Å
110P54.8Low60.2Low92 Ų92115.9 Ų115.960%0.59757%0.57SS**  trans-58.9109.7174.1-20.832.5000109.7R108 L112R108-P110 WeakPolarHBondContact O-CD 3.14Å; P110-L112 VanDerWaalsContact C-N 3.34Å; P110-L112 PolarHBondContact O-N 3.45Å
111R53.7Low58.6Low158 Ų158116.5 Ų116.560%0.59658%0.577SS**  trans-73.590.5175-60-68.7171.6161.4-3.7107.5M106 I109 R113M106-R111 PolarHBondContact O-NH2 2.99Å; I109-R111 PolarHBondContact O-N 2.91Å; R111-R113 PolarHBondContact O-N 2.9Å
112L46.7Very low57.4Low140 Ų140126 Ų12673%0.73361%0.609SS**  trans-59.5110.3165.6-69.1173.8000106.6P110P110-L112 VanDerWaalsContact C-N 3.34Å; P110-L112 PolarHBondContact O-N 3.45Å
113R40.6Very low56.3Low218 Ų218130.6 Ų130.682%0.82364%0.642SS**PPolyproline II helixtrans-52.8139.4168.9-73.9-175.1170.191.6-0.6107.2R111R111-R113 PolarHBondContact O-N 2.9Å
114P44.4Very low55.1Low110 Ų110130.2 Ų130.271%0.71465%0.648SS**PPolyproline II helixtrans-48.1139.3165.5-19.629.6000107.9E116P114-E116 PolarHBondContact O-N 3.06Å
115P44.5Very low54Low115 Ų115132.6 Ų132.675%0.74766%0.663SS**PPolyproline II helixtrans-52120.2171.122.3-30.8000106.5
116E51.9Low53.1Low160 Ų160137.1 Ų137.175%0.74869%0.692SS**PPolyproline II helixtrans-50.3132.4175.1-72.5178.783.500106.7P114 H118P114-E116 PolarHBondContact O-N 3.06Å; E116-H118 VanDerWaalsContact C-N 3.32Å; E116-H118 PolarHBondContact O-N 2.86Å
117P50.9Low52Low121 Ų121140.5 Ų140.579%0.78672%0.719SS**  trans-56.6108.4170.223-29.6000105.7P119P117-P119 VanDerWaalsContact O-N 3.13Å
118H49.4Very low51Low162 Ų162143.1 Ų143.175%0.7572%0.722SS**  trans-39.6123.8178.6-59.678.2000107.7E116 R120E116-H118 VanDerWaalsContact C-N 3.32Å; E116-H118 PolarHBondContact O-N 2.86Å; H118-R120 PolarHBondContact O-N 2.88Å
119P53.5Low50.3Low124 Ų124142.4 Ų142.481%0.80572%0.724SS**  trans-54.4113175.420.4-29.8000105.6P117 D121P117-P119 VanDerWaalsContact O-N 3.13Å; P119-D121 PolarHBondContact O-N 2.99Å; P119-D121 VanDerWaalsContact O-N 3.15Å
120R53.1Low49.5Very low242 Ų242147.1 Ų147.191%0.91376%0.756SS**  trans-48.1130173.9-97-170.7161.5-174.3-4.5106.2H118 R122H118-R120 PolarHBondContact O-N 2.88Å; R120-R122 PolarHBondContact O-N 2.86Å
121D48.1Very low48.8Very low132 Ų132145.8 Ų145.871%0.70676%0.759SS**  trans-26.3126.6174.6-173.5-96.1000111.5P119 S123P119-D121 PolarHBondContact O-N 2.99Å; P119-D121 VanDerWaalsContact O-N 3.15Å; D121-S123 PolarHBondContact O-N 2.71Å; D121-S123 PolarHBondContact OD1-OG 2.78Å
122R55.2Low48.6Very low237 Ų237144.4 Ų144.489%0.89477%0.77SS**  trans-55.373.9172.3-176.3177.4172.4161.8-2.8109.8R120 G124R120-R122 PolarHBondContact O-N 2.86Å; R122-G124 PolarHBondContact O-N 3.43Å
123S51.5Low48.4Very low111 Ų111142.9 Ų142.978%0.77678%0.778SS**  trans-98.949159.7-77.60000109D121D121-S123 PolarHBondContact O-N 2.71Å; D121-S123 PolarHBondContact OD1-OG 2.78Å
124G47.3Very low48.1Very low53 Ų53136.2 Ų136.255%0.54678%0.777SS.*  trans-82.5112.6155.200000108.1R122R122-G124 PolarHBondContact O-N 3.43Å
125L55.2Low48Very low158 Ų158139.6 Ų139.683%0.82778%0.783SS**SBendtrans68.7109.6136.7-55173.8000117.2
126V54.1Low47.6Very low119 Ų119141.3 Ų141.372%0.72179%0.786SS**  trans57.3127.7145.8-71.90000119.3R128V126-R128 PolarHBondContact O-N 3.09Å
127P43.3Very low47.2Very low133 Ų133140.8 Ų140.886%0.86479%0.787SS**  trans-54.5110.5163.8-23.633.9000110.6K129P127-K129 PolarHBondContact O-N 3.29Å
128R46.6Very low46.5Very low213 Ų213140.9 Ų140.980%0.80479%0.785SS**  trans-67102.1167.8-72.3-117.173.6-103.24.9107.7V126V126-R128 PolarHBondContact O-N 3.09Å
129K50.9Low46.2Very low172 Ų172142.4 Ų142.475%0.74879%0.793SS**  trans-39.4126.6164.3178.9177.3162.9176.60111.1P127 G131P127-K129 PolarHBondContact O-N 3.29Å; K129-G131 PolarHBondContact O-N 3.43Å
130P43.3Very low45.2Very low120 Ų120140.3 Ų140.378%0.77979%0.793SS**  trans-69.7124.3165.2-10.926.2000109
131G41.4Very low44.4Very low63 Ų63136.2 Ų136.265%0.64979%0.79SS**  trans-89.6161.8152.500000108.5K129K129-G131 PolarHBondContact O-N 3.43Å
132P49Very low44.6Very low129 Ų129134.3 Ų134.384%0.83879%0.785SS**  -148169.658.535.1-13.8000117.4
133A41.8Very low44Very low109 Ų109129.7 Ų129.790%0.90178%0.783SS**  trans56.5119.9147.900000121.1
134G35.7Very low43.1Very low78 Ų78127.2 Ų127.280%0.80478%0.775SS**  trans177.194.5163.800000110.7
135E40.7Very low42.5Very low181 Ų181130.7 Ų130.785%0.84679%0.791SS**  trans-55.4150168.1-146.2-165.5106.700111.3
136L36.3Very low41.7Very low151 Ų151128.6 Ų128.679%0.79179%0.79SS**  147.6127.8128.6-159.777.5000112.2
137L43Very low41.9Very low148 Ų148128.6 Ų128.678%0.77579%0.792SS**  trans-55158.5167.5-63.5153.8000112.3
138T37.3Very low41.7Very low123 Ų123127 Ų12776%0.75579%0.79SS**  trans111.8102.2147.6-40.40000117
139Q42.3Very low41.3Very low195 Ų195120.5 Ų120.591%0.91178%0.782SS**  44.5120.7127.5-164.3170.284.300120.2
140G32.9Very low40.9Very low79 Ų79121.7 Ų121.781%0.81479%0.79SS**  trans135.9114.1150.500000115.6
141N36.8Very low40.7Very low156 Ų156119.5 Ų119.583%0.83479%0.79SS**  trans-91.6163.8155-167.532.8000107.2
142P51.9Low40.5Very low93 Ų93126.1 Ų126.160%0.60480%0.801SS**  cis-138.4-178-0.741.3-21.7000116.5
143T41.9Very low40.6Very low139 Ų139125.4 Ų125.485%0.85380%0.796SS**  trans69.4128.4150.1-42.50000120.9
144G33.3Very low40.8Very low60 Ų60130.6 Ų130.662%0.61979%0.793SS**  trans112.7115.9136.800000118.4
145S34.6Very low41.4Very low125 Ų125132.8 Ų132.887%0.87479%0.792SS**  trans66.4121.3136.1-49.50000121.6
146S39.1Very low41.5Very low114 Ų114128.4 Ų128.480%0.79779%0.787SS**  trans-48.7-176.9154.5-62.40000114.9
147P58.9Low42Very low120 Ų120124.9 Ų124.978%0.77979%0.788SS**  cis-131-158.2-36.330.3-8.4000111.1
148A37.2Very low41.9Very low99 Ų99122 Ų12282%0.81879%0.794SS**  trans83149.4164.400000115.6
149A38.6Very low42.3Very low76 Ų76118.9 Ų118.963%0.62879%0.786SS**  cis-172.6173.6-14.100000107.2
150Q43.3Very low42.4Very low197 Ų197117.9 Ų117.992%0.92179%0.787SS**  trans82.9135.3150.7-38.5-155.24.800119.7
151G39.3Very low42.9Very low75 Ų75117.5 Ų117.577%0.77378%0.783SS**  trans154.883.4159.400000116
152F37.8Very low43.6Very low201 Ų201115.3 Ų115.388%0.88279%0.786SS**  trans-49.5179.9162.4-87.7-115.7000114.3
153P49.8Very low43.4Very low114 Ų114114.7 Ų114.774%0.7480%0.797SS**  cis-135.1-177.2-39.935.1-15.2000114.8
154R45.9Very low43.8Very low219 Ų219113.1 Ų113.183%0.82680%0.798SS**  trans-48163.2170.4-64.3165.366149.9-1.2114.9
155P48.2Very low44.3Very low123 Ų123113.6 Ų113.680%0.79980%0.804SS**  -135.1145.78415.18.5000112.6
156A43.2Very low45.2Very low89 Ų89113.5 Ų113.574%0.73680%0.803SS**  79.911671.800000115.4
157G47.2Very low46.3Very low78 Ų78113.3 Ų113.380%0.80480%0.799SS**  trans161.396.7170.600000106.9
158G40Very low45.8Very low88 Ų88115.5 Ų115.591%0.90780%0.803SS**  78.8113.561.700000108.4
159G47.1Very low46Very low57 Ų57115.7 Ų115.759%0.58880%0.799SS**  cis-170.4-179.20.200000109
160D43Very low46.5Very low173 Ų173121.5 Ų121.593%0.92584%0.835SS**  trans63.2126.9148.2-37.7-68000118.1
161G44.5Very low46.7Very low72 Ų72117.8 Ų117.874%0.74283%0.83SS**  cis159.316915.100000109.1
162A51.6Low47.1Very low109 Ų109120 Ų12090%0.90183%0.833SS**  trans69.6126.3169.900000117.6
163G46.2Very low47.6Very low81 Ų81115.5 Ų115.584%0.83583%0.831SS**  cis111.693.413.200000111.2
164A51.1Low47.5Very low105 Ų105115.6 Ų115.687%0.86884%0.836SS**  trans172.9120.9153.900000106.4
165G44.7Very low47.6Very low71 Ų71109.1 Ų109.173%0.73284%0.837SS**  cis9695.124.400000109.7
166S52.8Low47.5Very low123 Ų123108.2 Ų108.286%0.8684%0.839SS**  trans-178.4125.4142.3-78.80000111.3
167P61.8Low47.8Very low109 Ų109109.6 Ų109.671%0.70885%0.846SS**  trans-114.8179.2175.540.6-29.8000113.2
168L48.3Very low47.9Very low166 Ų166112 Ų11287%0.86985%0.85SS**  trans78.1155.3159.7-52.4159.2000116.6
169S42.3Very low48.5Very low104 Ų104114 Ų11473%0.72785%0.845SS**  cis170.9126.9-22.5-174.40000103.8
170S49.1Very low48.7Very low198 Ų198119.2 Ų119.2100%1.38587%0.868SS**  trans-174.70149.1-82.70000109.6

Retrieved 170 of 170 residues in 365.1 ms (Link to these results)