A0A087WVK1_HUMAN Loading...

Ubiquitin conjugating enzyme E2 C

AlphaFold DB , UniProt , Accession A0A087WVK1, Species HUMAN (Homo sapiens, Human), Gene UBE2C, Length 132 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
1M40.6Very low48.8Very low254 Ų254149.6 Ų149.6100%1.25187%0.866SS**  0157.30-67.4174.9178.500108.2
2A45.3Very low47.9Very low104 Ų104145.8 Ų145.886%0.8685%0.854SS**  trans-114.8147.3-172.100000112.2
3S55.1Low47.7Very low111 Ų111144.8 Ų144.878%0.77685%0.851SS**  trans-160.1121.8131.7-169.40000108.8
4Q66.3Low47Very low186 Ų186141.3 Ų141.387%0.86985%0.846SS**  trans-102.8137.5161.1-73.6-179.5-23.400106.8
5N50.7Low46.3Very low161 Ų161138.8 Ų138.886%0.86185%0.847SS**  trans-132.9129.5157.1-113.8-16.9000109
6R55.3Low46.3Very low221 Ų221135.9 Ų135.983%0.83484%0.842SS**  trans-126.5143.9175.9-100.6-178.1164.8160.1-5.2106.1
7D42.6Very low46.2Very low167 Ų167142.4 Ų142.489%0.89385%0.847SS**  trans-138.8128.8147.1-98.4-51.7000109.6
8P57.9Low45.8Very low106 Ų106145.8 Ų145.869%0.68885%0.849SS**  trans-106.8131.7-178.836.4-29.1000113.7
9A41.6Very low45.4Very low99 Ų99141.7 Ų141.782%0.81884%0.842SS**  trans58.8128.5149.800000120.9
10A36.4Very low45.9Very low106 Ų106140.1 Ų140.188%0.87685%0.845SS**  trans-136.1116.5154.400000110.5
11T45.2Very low46.1Very low131 Ų131142.2 Ų142.280%0.80485%0.846SS**  trans-87.7158.1171.7-20.60000107.7
12S38.1Very low46.9Very low103 Ų103136.3 Ų136.372%0.7283%0.827SS**  cis-169.4147.435.449.10000116
13V44.9Very low47.4Very low133 Ų133137.3 Ų137.381%0.80683%0.827SS**  trans22.2119.6140.4-169.60000122.3
14A38.8Very low47Very low96 Ų96135.6 Ų135.679%0.79383%0.827SS**  trans73.5134.4141.700000124.5
15A36.5Very low45.9Very low104 Ų104130.7 Ų130.786%0.8683%0.827SS**  154.9151.1125.700000112.9
16A46.3Very low45.9Very low93 Ų93126 Ų12677%0.76981%0.81SS**  trans-95.9-179.7175.600000111.3
17R44.3Very low46Very low246 Ų246120.2 Ų120.293%0.92881%0.809SS**  -159.3162.558.4-56.2-172.5-175.8-153.9-2.4113.1
18K38.2Very low46.5Very low203 Ų203117.7 Ų117.788%0.88379%0.787SS**  trans-102.8151.5170.9-176.5-171.2169.1-1710110.8
19G39.6Very low46.2Very low69 Ų69115.1 Ų115.171%0.71178%0.78SS**  trans-77.6177.8172.400000115.4
20A54.6Low46.7Very low108 Ų108115.5 Ų115.589%0.89377%0.774SS**  trans-108.2179.5-163.300000116
21E50Low47.6Very low185 Ų185115.3 Ų115.386%0.86476%0.762SS**  trans-130.5162-176.2-65.4-156.1119.500114.6
22P57.2Low48.3Very low131 Ų131110 Ų11085%0.85173%0.734SS**  trans-127.6179.5173.341.8-27.8000116.3
23S55.5Low49.8Very low124 Ų124108.2 Ų108.287%0.86771%0.713SS**  trans-161.7164.3-180-1720000110.5
24G47.6Very low50.5Low75 Ų75108 Ų10877%0.77370%0.697SS**  cis136.4138.3-2.300000112.9
25G42.7Very low52Low84 Ų84108.4 Ų108.487%0.86669%0.686SS**  trans170.6169.1178.100000121.2
26A50.1Low53.2Low62 Ų62108.9 Ų108.951%0.51267%0.67SS.*  trans178.1146.915300000109.9R28 K33A26-R28 PolarHBondContact O-N 2.96Å; A26-K33 HydrophobicContact CB-CD 4.27Å; A26-K33 HydrophobicContact CB-CG 4.3Å; A26-K33 VanDerWaalsContact CB-NZ 3.27Å; A26-K33 WeakPolarHBondContact O-CG 3.24Å; A26-K33 PolarHBondContact O-NZ 3.03Å
27A58.1Low54.5Low99 Ų99110.9 Ų110.982%0.81866%0.664SS**SBendtrans-64.988.8-172.700000116.3K33A27-K33 PolarHBondContact O-NZ 3.45Å
28R52.2Low55.6Low114 Ų114103.8 Ų103.843%0.4364%0.641SS.*SBend-104.9-173.9115.7-81.7126.7134.4167.823.6104.5A26 G32 K33 Q36A26-R28 PolarHBondContact O-N 2.96Å; R28-G32 VanDerWaalsContact CD-C 3.44Å; R28-G32 WeakPolarHBondContact CD-O 3.38Å; R28-G32 PolarHBondContact NE-O 3.35Å; R28-G32 PolarHBondContact NH1-O 2.91Å; R28-K33 HydrophobicContact CB-CG 4.28Å; R28-Q36 VanDerWaalsContact CZ-OE1 3.24Å; R28-Q36 VanDerWaalsContact NH2-CD 3.3Å
29G53Low57.3Low52 Ų5298.6 Ų98.654%0.53662%0.623SS.*  trans-52.9139.3146.200000108V31 G32G29-V31 PolarHBondContact O-N 3.46Å; G29-G32 PolarHBondContact O-N 3.34Å
30P51.9Low58.8Low108 Ų108102.3 Ų102.370%0.70162%0.623SS**Hα-helixtrans-51.2-37.2-168.414.2-28.5000112.9G32 K33 R34P30-G32 VanDerWaalsContact C-N 3.3Å; P30-G32 PolarHBondContact O-N 2.92Å; P30-K33 PolarHBondContact O-N 3.3Å; P30-R34 PolarHBondContact O-N 3.23Å
31V55.9Low59.4Low102 Ų102101 Ų10162%0.61860%0.604SS**Hα-helixtrans-36.3-52.7164.9-176.10000113.7G29 R34 L35G29-V31 PolarHBondContact O-N 3.46Å; V31-R34 PolarHBondContact O-N 2.96Å; V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.24Å; V31-L35 PolarHBondContact O-N 3.4Å
32G58.8Low60.3Low20 Ų2097.7 Ų97.721%0.20659%0.592CS.*Hα-helixtrans-74.8-26.5-175.600000114.2R28 G29 P30R28-G32 VanDerWaalsContact CD-C 3.44Å; R28-G32 WeakPolarHBondContact CD-O 3.38Å; R28-G32 PolarHBondContact NE-O 3.35Å; R28-G32 PolarHBondContact NH1-O 2.91Å; G29-G32 PolarHBondContact O-N 3.34Å; P30-G32 VanDerWaalsContact C-N 3.3Å; P30-G32 PolarHBondContact O-N 2.92Å
33K69.9Low60.9Low65 Ų6598.5 Ų98.528%0.28359%0.586SS.*Hα-helixtrans-74-47.3170.3-69.8-63.5156.775.90109.3A26 A27 R28 P30 L35 Q36 Q37A26-K33 HydrophobicContact CB-CD 4.27Å; A26-K33 HydrophobicContact CB-CG 4.3Å; A26-K33 VanDerWaalsContact CB-NZ 3.27Å; A26-K33 WeakPolarHBondContact O-CG 3.24Å; A26-K33 PolarHBondContact O-NZ 3.03Å; A27-K33 PolarHBondContact O-NZ 3.45Å; R28-K33 HydrophobicContact CB-CG 4.28Å; P30-K33 PolarHBondContact O-N 3.3Å; K33-L35 PolarHBondContact O-N 3.31Å; K33-Q36 PolarHBondContact O-N 3.31Å; K33-Q37 WeakPolarHBondContact O-CB 3.25Å; K33-Q37 PolarHBondContact O-N 3.28Å
34R60.4Low61.4Low127 Ų12794.8 Ų94.848%0.47956%0.563SS.*Hα-helixtrans-54.6-50.4174.4-172.6173.8178.6-177.90.9111.5P30 V31 Q36 Q37 E38P30-R34 PolarHBondContact O-N 3.23Å; V31-R34 PolarHBondContact O-N 2.96Å; R34-Q36 VanDerWaalsContact C-N 3.32Å; R34-Q36 PolarHBondContact O-N 3.48Å; R34-Q37 CarbonylContact O-C 3.54Å; R34-Q37 WeakPolarHBondContact O-CB 3.37Å; R34-Q37 PolarHBondContact O-N 3.47Å; R34-E38 HydrophobicContact CG-CG 3.78Å; R34-E38 IonicContact CZ-OE1 3.3Å; R34-E38 IonicContact NE-OE1 2.63Å; R34-E38 PolarHBondContact NE-OE1 2.95Å; R34-E38 IonicContact NH2-OE1 2.91Å; R34-E38 PolarHBondContact NH2-OE1 3.03Å; R34-E38 WeakPolarHBondContact O-CB 3.5Å; R34-E38 WeakPolarHBondContact O-CG 3.41Å; R34-E38 PolarHBondContact O-N 3.45Å
35L69.3Low61.7Low106 Ų10694.2 Ų94.256%0.55554%0.544SS*.Hα-helixtrans-56.4-42.2-179.5-179.960.7000113V31 K33 L39V31-L35 VanDerWaalsContact O-CB 3.31Å; V31-L35 WeakPolarHBondContact O-CB 3.24Å; V31-L35 PolarHBondContact O-N 3.4Å; K33-L35 PolarHBondContact O-N 3.31Å; L35-L39 HydrophobicContact CD1-CD1 4.16Å; L35-L39 HydrophobicContact CD1-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.13Å; L35-L39 WeakPolarHBondContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CD1 3.5Å; L35-L39 VanDerWaalsContact O-CG 3.23Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 2.93Å
36Q62.7Low62.4Low113 Ų11392 Ų9253%0.52852%0.521SS..Hα-helixtrans-77.7-30.1177.6-135.4-179.714.200112.5R28 K33 R34 M40R28-Q36 VanDerWaalsContact CZ-OE1 3.24Å; R28-Q36 VanDerWaalsContact NH2-CD 3.3Å; K33-Q36 PolarHBondContact O-N 3.31Å; R34-Q36 VanDerWaalsContact C-N 3.32Å; R34-Q36 PolarHBondContact O-N 3.48Å; Q36-M40 WeakPolarHBondContact O-CB 3.34Å; Q36-M40 PolarHBondContact O-N 3.16Å
37Q72Confident62.4Low135 Ų13592.7 Ų92.763%0.63152%0.522SS*.Hα-helixtrans-67.8-43.8172.3-173.9171.9-6.100111.4K33 R34 M40 T41K33-Q37 WeakPolarHBondContact O-CB 3.25Å; K33-Q37 PolarHBondContact O-N 3.28Å; R34-Q37 CarbonylContact O-C 3.54Å; R34-Q37 WeakPolarHBondContact O-CB 3.37Å; R34-Q37 PolarHBondContact O-N 3.47Å; Q37-M40 PolarHBondContact O-N 2.68Å; Q37-T41 WeakPolarHBondContact O-CB 3.29Å; Q37-T41 PolarHBondContact O-N 3.48Å; Q37-T41 PolarHBondContact O-OG1 3.32Å
38E67.4Low62.2Low97 Ų9793.3 Ų93.345%0.45351%0.511SS..Hα-helixtrans-58.7-52.4171.4-62.8-95.1174.400109.9R34 M40 T41 L42R34-E38 HydrophobicContact CG-CG 3.78Å; R34-E38 IonicContact CZ-OE1 3.3Å; R34-E38 IonicContact NE-OE1 2.63Å; R34-E38 PolarHBondContact NE-OE1 2.95Å; R34-E38 IonicContact NH2-OE1 2.91Å; R34-E38 PolarHBondContact NH2-OE1 3.03Å; R34-E38 WeakPolarHBondContact O-CB 3.5Å; R34-E38 WeakPolarHBondContact O-CG 3.41Å; R34-E38 PolarHBondContact O-N 3.45Å; E38-M40 PolarHBondContact O-N 3.37Å; E38-T41 PolarHBondContact O-N 2.93Å; E38-L42 WeakPolarHBondContact O-CB 3.21Å; E38-L42 PolarHBondContact O-N 3.39Å
39L74.1Confident62.1Low95 Ų9596.4 Ų96.450%0.49752%0.522SS..Hα-helixtrans-60.9-44.1177.7-74.4167.5000112.9L35 L42 M43L35-L39 HydrophobicContact CD1-CD1 4.16Å; L35-L39 HydrophobicContact CD1-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.13Å; L35-L39 WeakPolarHBondContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CD1 3.5Å; L35-L39 VanDerWaalsContact O-CG 3.23Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 2.93Å; L39-L42 PolarHBondContact O-N 3.43Å; L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.08Å; L39-M43 PolarHBondContact O-N 3.39Å
40M71.3Confident62Low146 Ų14697.9 Ų97.972%0.71952%0.521SS*.Hα-helixtrans-65.9-40.4178.2-161.578.9179.300111.4Q36 Q37 E38 A44Q36-M40 WeakPolarHBondContact O-CB 3.34Å; Q36-M40 PolarHBondContact O-N 3.16Å; Q37-M40 PolarHBondContact O-N 2.68Å; E38-M40 PolarHBondContact O-N 3.37Å; M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.81Å
41T68.3Low62Low82 Ų8296 Ų9650%0.50351%0.51SS..Hα-helixtrans-71.4-34.3177.5-57.80000111.4Q37 E38 A44 V45Q37-T41 WeakPolarHBondContact O-CB 3.29Å; Q37-T41 PolarHBondContact O-N 3.48Å; Q37-T41 PolarHBondContact O-OG1 3.32Å; E38-T41 PolarHBondContact O-N 2.93Å; T41-A44 PolarHBondContact O-N 2.65Å; T41-V45 VanDerWaalsContact O-CB 3.29Å; T41-V45 WeakPolarHBondContact O-CB 3.3Å; T41-V45 WeakPolarHBondContact O-CG1 3.42Å; T41-V45 PolarHBondContact O-N 2.88Å
42L68.4Low61.6Low115 Ų11594.5 Ų94.560%0.60251%0.505SS*.Hα-helixtrans-70.2-38.5176.9-172.7137.8000111.4E38 L39 G46E38-L42 WeakPolarHBondContact O-CB 3.21Å; E38-L42 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 3.43Å; L42-G46 PolarHBondContact O-N 2.98Å
43M69.3Low61.2Low147 Ų14797 Ų9772%0.72452%0.516SS*.Hα-helixtrans-66.9-43.2170.4-67.4-70.6-78.900111.6L39 G46 S47L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.08Å; L39-M43 PolarHBondContact O-N 3.39Å; M43-G46 PolarHBondContact O-N 2.77Å; M43-S47 PolarHBondContact O-N 3.39Å
44A65.6Low60.4Low47 Ų4798 Ų9839%0.38853%0.527SS..Hα-helixtrans-66-46.6177.800000112.8M40 T41 G46 S47 I48M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.81Å; T41-A44 PolarHBondContact O-N 2.65Å; A44-G46 VanDerWaalsContact C-N 3.28Å; A44-G46 PolarHBondContact O-N 3.44Å; A44-S47 WeakPolarHBondContact O-CB 3.12Å; A44-S47 PolarHBondContact O-N 2.73Å; A44-S47 VanDerWaalsContact O-N 3.16Å; A44-I48 WeakPolarHBondContact O-CG1 3.34Å; A44-I48 PolarHBondContact O-N 3.45Å
45V54.6Low59.9Low63 Ų6396.5 Ų96.538%0.38254%0.535SS..Hα-helixtrans-70.9-25.2176.685.40000111.7T41 S47 I48 R49T41-V45 VanDerWaalsContact O-CB 3.29Å; T41-V45 WeakPolarHBondContact O-CB 3.3Å; T41-V45 WeakPolarHBondContact O-CG1 3.42Å; T41-V45 PolarHBondContact O-N 2.88Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.3Å; V45-I48 PolarHBondContact O-N 3.5Å; V45-R49 HydrophobicContact CG2-CB 4.38Å; V45-R49 WeakPolarHBondContact O-CA 3.49Å; V45-R49 WeakPolarHBondContact O-CB 3.23Å; V45-R49 PolarHBondContact O-N 2.89Å
46G56.8Low58.9Low36 Ų3698.4 Ų98.437%0.37155%0.545SS..Hα-helixtrans-57.5-42.6167.600000112L42 M43 A44 T50L42-G46 PolarHBondContact O-N 2.98Å; M43-G46 PolarHBondContact O-N 2.77Å; A44-G46 VanDerWaalsContact C-N 3.28Å; A44-G46 PolarHBondContact O-N 3.44Å; G46-T50 WeakPolarHBondContact O-CB 3.36Å; G46-T50 VanDerWaalsContact O-CG2 3.24Å; G46-T50 WeakPolarHBondContact O-CG2 3.18Å; G46-T50 PolarHBondContact O-N 2.91Å; G46-T50 PolarHBondContact O-OG1 2.87Å
47S49.9Very low58.4Low78 Ų7899.8 Ų99.855%0.54556%0.556SS.*Hα-helixtrans-74.1-47.7174.1-173.70000112.7M43 A44 V45 R49 T50 S51M43-S47 PolarHBondContact O-N 3.39Å; A44-S47 WeakPolarHBondContact O-CB 3.12Å; A44-S47 PolarHBondContact O-N 2.73Å; A44-S47 VanDerWaalsContact O-N 3.16Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.3Å; S47-R49 PolarHBondContact O-N 2.84Å; S47-T50 PolarHBondContact O-OG1 3.04Å; S47-S51 VanDerWaalsContact O-CB 3.24Å; S47-S51 WeakPolarHBondContact O-CB 3.45Å; S47-S51 PolarHBondContact O-N 3.11Å
48I55.1Low57.2Low112 Ų11297.8 Ų97.857%0.57456%0.556SS**Hα-helixtrans-66.8-41.4-176.2-64.7163.3000111.8A44 V45 S52A44-I48 WeakPolarHBondContact O-CG1 3.34Å; A44-I48 PolarHBondContact O-N 3.45Å; V45-I48 PolarHBondContact O-N 3.5Å; I48-S52 WeakPolarHBondContact O-CB 3.48Å; I48-S52 PolarHBondContact O-N 2.8Å
49R50.4Low56.4Low178 Ų17896.1 Ų96.167%0.67257%0.565SS**Hα-helixtrans-78.7-26.7-178-157.5-178.879-160.44.6112.8V45 S47 T53V45-R49 HydrophobicContact CG2-CB 4.38Å; V45-R49 WeakPolarHBondContact O-CA 3.49Å; V45-R49 WeakPolarHBondContact O-CB 3.23Å; V45-R49 PolarHBondContact O-N 2.89Å; S47-R49 PolarHBondContact O-N 2.84Å; R49-T53 HydrophobicContact CG-CG2 4.49Å; R49-T53 WeakPolarHBondContact O-CB 3.22Å; R49-T53 VanDerWaalsContact O-CG2 3.3Å; R49-T53 WeakPolarHBondContact O-CG2 3.08Å; R49-T53 PolarHBondContact O-N 2.68Å; R49-T53 PolarHBondContact O-OG1 3.04Å
50T50.9Low54.8Low83 Ų8398.2 Ų98.251%0.50958%0.584SS.*Hα-helixtrans-71.9-52.116849.40000110.4G46 S47 S52 T53 V54G46-T50 WeakPolarHBondContact O-CB 3.36Å; G46-T50 VanDerWaalsContact O-CG2 3.24Å; G46-T50 WeakPolarHBondContact O-CG2 3.18Å; G46-T50 PolarHBondContact O-N 2.91Å; G46-T50 PolarHBondContact O-OG1 2.87Å; S47-T50 PolarHBondContact O-OG1 3.04Å; T50-S52 PolarHBondContact O-N 2.78Å; T50-T53 PolarHBondContact O-N 3.17Å; T50-T53 PolarHBondContact O-OG1 2.94Å; T50-V54 WeakPolarHBondContact O-CB 3.45Å; T50-V54 VanDerWaalsContact O-CG2 3.25Å; T50-V54 WeakPolarHBondContact O-CG2 3.06Å; T50-V54 PolarHBondContact O-N 3Å
51S50.1Low53.3Low68 Ų68101.2 Ų101.248%0.47659%0.588SS.*Hα-helixtrans-54.5-55.2178-177.60000112.7S47 T53 V54 C55S47-S51 VanDerWaalsContact O-CB 3.24Å; S47-S51 WeakPolarHBondContact O-CB 3.45Å; S47-S51 PolarHBondContact O-N 3.11Å; S51-T53 VanDerWaalsContact C-N 3.33Å; S51-T53 PolarHBondContact O-N 2.89Å; S51-V54 PolarHBondContact O-N 3.41Å; S51-C55 WeakPolarHBondContact O-CB 3.37Å; S51-C55 PolarHBondContact O-N 2.79Å; S51-C55 PolarHBondContact O-SG 2.73Å; S51-C55 VanDerWaalsContact O-SG 3.34Å
52S48.5Very low52.1Low71 Ų71103.8 Ų103.850%0.49759%0.594SS.*Hα-helixtrans-68.1-26.9-174.8-165.50000114I48 T50 L56I48-S52 WeakPolarHBondContact O-CB 3.48Å; I48-S52 PolarHBondContact O-N 2.8Å; T50-S52 PolarHBondContact O-N 2.78Å; S52-L56 WeakPolarHBondContact O-CG 3.5Å
53T50.5Low50.4Low74 Ų74105 Ų10545%0.45461%0.607SS.*Hα-helixtrans-84.8-34.5174.758.20000113R49 T50 S51 L57R49-T53 HydrophobicContact CG-CG2 4.49Å; R49-T53 WeakPolarHBondContact O-CB 3.22Å; R49-T53 VanDerWaalsContact O-CG2 3.3Å; R49-T53 WeakPolarHBondContact O-CG2 3.08Å; R49-T53 PolarHBondContact O-N 2.68Å; R49-T53 PolarHBondContact O-OG1 3.04Å; T50-T53 PolarHBondContact O-N 3.17Å; T50-T53 PolarHBondContact O-OG1 2.94Å; S51-T53 VanDerWaalsContact C-N 3.33Å; S51-T53 PolarHBondContact O-N 2.89Å; T53-L57 PolarHBondContact O-N 3.05Å
54V52.8Low49.1Very low85 Ų85107 Ų10752%0.51561%0.614SS.*Hα-helixtrans-69.7-43.2175.6171.10000111.1T50 S51 L56 L57 S58T50-V54 WeakPolarHBondContact O-CB 3.45Å; T50-V54 VanDerWaalsContact O-CG2 3.25Å; T50-V54 WeakPolarHBondContact O-CG2 3.06Å; T50-V54 PolarHBondContact O-N 3Å; S51-V54 PolarHBondContact O-N 3.41Å; V54-L56 PolarHBondContact O-N 2.91Å; V54-L57 CarbonylContact O-C 3.58Å; V54-L57 PolarHBondContact O-N 3.27Å; V54-S58 PolarHBondContact O-N 3.44Å
55C50.3Low47.7Very low96 Ų96112 Ų11265%0.64963%0.634SS**Hα-helixtrans-63.6-24.8179.3-71.60000114.1S51S51-C55 WeakPolarHBondContact O-CB 3.37Å; S51-C55 PolarHBondContact O-N 2.79Å; S51-C55 PolarHBondContact O-SG 2.73Å; S51-C55 VanDerWaalsContact O-SG 3.34Å
56L48.7Very low47.5Very low146 Ų146113 Ų11376%0.76464%0.644SS**THydrogen-bonded Turntrans-88.4-9.1174.5-69176.2000113.8S52 V54S52-L56 WeakPolarHBondContact O-CG 3.5Å; V54-L56 PolarHBondContact O-N 2.91Å
57L51.3Low47.1Very low142 Ų142116.5 Ų116.574%0.74366%0.663SS**SBendtrans-121.121.2-175.4-70.6171.3000113.1T53 V54T53-L57 PolarHBondContact O-N 3.05Å; V54-L57 CarbonylContact O-C 3.58Å; V54-L57 PolarHBondContact O-N 3.27Å
58S46.3Very low46.7Very low92 Ų92122 Ų12264%0.64368%0.677SS**  trans-142.762.9177.1-70.70000111.7V54V54-S58 PolarHBondContact O-N 3.44Å
59G50.3Low46Very low62 Ų62122.4 Ų122.464%0.63969%0.687SS**  trans-81.7164.7174.500000114.1R61G59-R61 PolarHBondContact O-N 3.06Å
60P42.2Very low46.1Very low139 Ų139121.7 Ų121.790%0.90370%0.696SS**  trans-7785.8-178.331.9-35.1000112.9
61R38.7Very low46.1Very low209 Ų209124.1 Ų124.179%0.78971%0.71SS**  trans30.4124.2132.8-176.2170.3-178.9-154.4-5.5119.7G59G59-R61 PolarHBondContact O-N 3.06Å
62E43Very low45.9Very low136 Ų136133.3 Ų133.364%0.63673%0.734SS**  trans81.399.9158.5-55.4-95.4-171.800119.8
63T33.4Very low46.1Very low142 Ų142133.2 Ų133.287%0.87175%0.745SS**  -139.9125.5118.341.90000110.9D65T63-D65 PolarHBondContact O-N 3.21Å
64Q42.3Very low45.8Very low189 Ų189138.1 Ų138.188%0.88377%0.767SS**  trans-43.1109.3166.1172.6-170.6-800115.2
65D36.4Very low45.8Very low151 Ų151137.1 Ų137.181%0.80777%0.774SS**  trans-167.1163.8130.2-168-138.2000111.9T63T63-D65 PolarHBondContact O-N 3.21Å
66S49.5Very low45.7Very low84 Ų84144.1 Ų144.159%0.58779%0.787SS**SBendtrans20.2135157.4-165.10000122.2
67S49.2Very low46.1Very low110 Ų110141.4 Ų141.477%0.76977%0.773SS**  trans71.3105.6156.5-58.30000118.3
68K41Very low46.4Very low194 Ų194141.9 Ų141.984%0.84377%0.773SS**  trans-86.4130.3-178.6-51171-174175.50112.5
69P39.8Very low47.4Very low119 Ų119146.7 Ų146.777%0.77378%0.778SS**  trans-81.4122.4157.731.1-30.1000110.7V71P69-V71 PolarHBondContact O-N 2.78Å
70L53.1Low48.2Very low164 Ų164149.1 Ų149.186%0.85978%0.775SS**  trans-85.1101.4-179.9-70.5166.4000111.6
71V49.7Very low49.5Very low133 Ų133147.1 Ų147.181%0.80676%0.756SS**  trans-151.824.6164.2-103.80000114.5P69P69-V71 PolarHBondContact O-N 2.78Å
72W47Very low50.7Low262 Ų262141.9 Ų141.999%0.99274%0.743SS**SBendtrans-109.291.3163.7-9054.9000109.4
73G52Low52Low69 Ų69141.2 Ų141.271%0.71174%0.74SS**  trans129.8102.1176.200000113.7
74L45.1Very low53.5Low176 Ų176140 Ų14092%0.92173%0.728SS**  trans-168.4150.9132.3-99.8162.1000107.4
75G53.4Low54.7Low64 Ų64134.4 Ų134.466%0.6671%0.707SS**  trans-67.1148.5-173.300000112.8D77G75-D77 VanDerWaalsContact C-N 3.32Å; G75-D77 PolarHBondContact O-N 2.77Å
76W47.6Very low56.4Low243 Ų243130.8 Ų130.892%0.9269%0.687SS**  trans-66.993.1168.1-65.690.7000108.9M78W76-M78 PolarHBondContact O-N 3.25Å
77D56.9Low57.3Low89 Ų89131.9 Ų131.948%0.47668%0.683SS.*  trans-56.8133.1-179.8-166.3-45.9000110G75 R79 L80 L81G75-D77 VanDerWaalsContact C-N 3.32Å; G75-D77 PolarHBondContact O-N 2.77Å; D77-R79 PolarHBondContact O-N 3.43Å; D77-R79 WeakPolarHBondContact OD1-CB 3.31Å; D77-R79 PolarHBondContact OD1-N 3.37Å; D77-L80 HydrophobicContact CB-CD1 4.41Å; D77-L80 HydrophobicContact CB-CG 4.41Å; D77-L80 WeakPolarHBondContact O-CA 3.13Å; D77-L80 WeakPolarHBondContact O-CB 3.43Å; D77-L80 PolarHBondContact O-N 2.92Å; D77-L81 PolarHBondContact O-N 3.45Å; D77-L81 VanDerWaalsContact O-N 3.11Å
78M57Low58.1Low152 Ų152132.2 Ų132.275%0.74968%0.675SS**Hα-helixtrans-54.6-26.4175.5-72.3-67.4-175.800111.9W76 L81 L82W76-M78 PolarHBondContact O-N 3.25Å; M78-L81 PolarHBondContact O-N 2.92Å; M78-L81 HydrophobicContact SD-CD2 4.35Å; M78-L82 WeakPolarHBondContact O-CB 3.08Å; M78-L82 PolarHBondContact O-N 2.87Å
79R68.4Low59Low194 Ų194129.1 Ų129.173%0.73266%0.662SS**Hα-helixtrans-71.5-33.1175.1-153.4165.8-170.3-106.63.8112.8D77 E83D77-R79 PolarHBondContact O-N 3.43Å; D77-R79 WeakPolarHBondContact OD1-CB 3.31Å; D77-R79 PolarHBondContact OD1-N 3.37Å; R79-E83 WeakPolarHBondContact O-CB 3.22Å; R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 3.48Å
80L65.5Low59.9Low112 Ų112128.1 Ų128.159%0.58665%0.649SS**Hα-helixtrans-73.2-36.2169.9-74.7171.6000111.6D77 L84D77-L80 HydrophobicContact CB-CD1 4.41Å; D77-L80 HydrophobicContact CB-CG 4.41Å; D77-L80 WeakPolarHBondContact O-CA 3.13Å; D77-L80 WeakPolarHBondContact O-CB 3.43Å; D77-L80 PolarHBondContact O-N 2.92Å; L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 2.79Å
81L69.8Low59.9Low97 Ų97126.5 Ų126.551%0.50864%0.638SS.*Hα-helixtrans-67-38.1172.7-174.663.5000111.5D77 M78 T85D77-L81 PolarHBondContact O-N 3.45Å; D77-L81 VanDerWaalsContact O-N 3.11Å; M78-L81 PolarHBondContact O-N 2.92Å; M78-L81 HydrophobicContact SD-CD2 4.35Å; L81-T85 WeakPolarHBondContact O-CB 3.17Å; L81-T85 WeakPolarHBondContact O-CG2 3.22Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 2.93Å
82L65.6Low59.6Low99 Ų99125.5 Ų125.552%0.51863%0.626SS.*Hα-helixtrans-70.2-44.8176.3-176.760.8000111.8M78 L84 T85 L86M78-L82 WeakPolarHBondContact O-CB 3.08Å; M78-L82 PolarHBondContact O-N 2.87Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.42Å; L82-T85 WeakPolarHBondContact CA-OG1 3.23Å; L82-T85 PolarHBondContact O-N 2.8Å; L82-T85 PolarHBondContact O-OG1 3.24Å; L82-L86 HydrophobicContact CD1-CD1 4.11Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 3.9Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 VanDerWaalsContact O-CB 3.23Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 2.9Å
83E69.9Low59.5Low123 Ų123118.4 Ų118.458%0.57561%0.613SS**Hα-helixtrans-62.8-39.8173.1-73-81.6103.800111.2R79 Q87R79-E83 WeakPolarHBondContact O-CB 3.22Å; R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 3.48Å; E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 3.34Å
84L64.5Low59.2Low117 Ų117122.4 Ų122.461%0.61361%0.613SS**Hα-helixtrans-67.4-38.3176.9-176.863.1000112.5L80 L82 L88L80-L84 WeakPolarHBondContact O-CB 3.44Å; L80-L84 PolarHBondContact O-N 2.79Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.42Å; L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.14Å
85T67.1Low59.3Low70 Ų70116.9 Ų116.943%0.42959%0.588SS.*Hα-helixtrans-75.8-36.4176.348.70000112.5L81 L82 L88 F89L81-T85 WeakPolarHBondContact O-CB 3.17Å; L81-T85 WeakPolarHBondContact O-CG2 3.22Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 2.93Å; L82-T85 WeakPolarHBondContact CA-OG1 3.23Å; L82-T85 PolarHBondContact O-N 2.8Å; L82-T85 PolarHBondContact O-OG1 3.24Å; T85-L88 PolarHBondContact O-N 2.94Å; T85-F89 VanDerWaalsContact O-CB 3.22Å; T85-F89 WeakPolarHBondContact O-CB 3.42Å; T85-F89 PolarHBondContact O-N 3.17Å
86L72.6Confident59.1Low75 Ų75119.2 Ų119.239%0.39359%0.585SS.*Hα-helixtrans-64.7-43.5170.4-75170.6000111.6L82 F89 L90L82-L86 HydrophobicContact CD1-CD1 4.11Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 3.9Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 VanDerWaalsContact O-CB 3.23Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 2.9Å; L86-F89 PolarHBondContact O-N 3.04Å; L86-L90 WeakPolarHBondContact O-CB 3.19Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.16Å
87Q69.3Low59.1Low108 Ų108113.3 Ų113.351%0.50557%0.571SS.*Hα-helixtrans-61.3-48.4174.6-172.466.439.100109.9E83 F89 L90 Q91E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 3.34Å; Q87-F89 VanDerWaalsContact C-N 3.32Å; Q87-F89 PolarHBondContact O-N 3.38Å; Q87-L90 PolarHBondContact O-N 3.5Å; Q87-Q91 WeakPolarHBondContact O-CB 3.21Å; Q87-Q91 PolarHBondContact O-N 3.02Å
88L65.8Low58.9Low116 Ų116116.5 Ų116.561%0.60759%0.588SS**Hα-helixtrans-59.1-41.4176.5-177.562.9000112.3L84 T85 Q91 M92L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.14Å; T85-L88 PolarHBondContact O-N 2.94Å; L88-Q91 PolarHBondContact O-N 3.47Å; L88-M92 VanDerWaalsContact O-CG 3.31Å; L88-M92 WeakPolarHBondContact O-CG 3.31Å; L88-M92 PolarHBondContact O-N 2.99Å
89F59.3Low58.3Low130 Ų130112 Ų11257%0.5757%0.571SS**Hα-helixtrans-71.7-33.4179.7-163.4-88.7000112.8T85 L86 Q87 W109T85-F89 VanDerWaalsContact O-CB 3.22Å; T85-F89 WeakPolarHBondContact O-CB 3.42Å; T85-F89 PolarHBondContact O-N 3.17Å; L86-F89 PolarHBondContact O-N 3.04Å; Q87-F89 VanDerWaalsContact C-N 3.32Å; Q87-F89 PolarHBondContact O-N 3.38Å; F89-W109 AromaticContact CD1-CH2 3.55Å; F89-W109 HydrophobicContact CD1-CH2 3.55Å; F89-W109 AromaticContact CD1-CZ2 3.89Å; F89-W109 HydrophobicContact CD1-CZ2 3.89Å; F89-W109 AromaticContact CE1-CH2 3.41Å; F89-W109 HydrophobicContact CE1-CH2 3.41Å; F89-W109 VanDerWaalsContact CE1-CH2 3.41Å; F89-W109 AromaticContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ3 4.11Å
90L58.3Low57.3Low97 Ų97108.2 Ų108.251%0.50857%0.572SS.*Hα-helixtrans-78.2-25.1172.4-72.2165.9000112.8L86 Q87 M92 W109L86-L90 WeakPolarHBondContact O-CB 3.19Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.16Å; Q87-L90 PolarHBondContact O-N 3.5Å; L90-M92 VanDerWaalsContact C-N 3.29Å; L90-W109 HydrophobicContact CD2-CH2 4.17Å; L90-W109 HydrophobicContact CD2-CZ2 3.71Å
91Q53.8Low56.8Low131 Ų131110.5 Ų110.561%0.61258%0.584SS**SBendtrans-79.6-10.7175.4-151.684.836.900112.6Q87 L88 P93Q87-Q91 WeakPolarHBondContact O-CB 3.21Å; Q87-Q91 PolarHBondContact O-N 3.02Å; L88-Q91 PolarHBondContact O-N 3.47Å; Q91-P93 WeakPolarHBondContact O-CD 3.16Å
92M42.6Very low56.2Low112 Ų112110.5 Ų110.555%0.55258%0.584SS**  trans-81.4103.6173.1-76.5-78.4-77.300110L88 L90 E94L88-M92 VanDerWaalsContact O-CG 3.31Å; L88-M92 WeakPolarHBondContact O-CG 3.31Å; L88-M92 PolarHBondContact O-N 2.99Å; L90-M92 VanDerWaalsContact C-N 3.29Å; M92-E94 PolarHBondContact O-N 3.3Å
93P45.5Very low55.8Low113 Ų113110.8 Ų110.873%0.73459%0.59SS**  trans-79.4-1.2-166.9-14.733.1000114.8Q91Q91-P93 WeakPolarHBondContact O-CD 3.16Å
94E45.6Very low55.1Low152 Ų152112.6 Ų112.671%0.7160%0.599SS**  trans-134.173.8-173.9-65.8-178.7154.200112.1M92 N96M92-E94 PolarHBondContact O-N 3.3Å; E94-N96 PolarHBondContact O-N 2.91Å
95P47.6Very low54.6Low61 Ų61108.4 Ų108.440%0.39658%0.581SS.*  trans-63.6118.3152.429-30.9000107.6I97P95-I97 VanDerWaalsContact O-CD1 3.28Å; P95-I97 WeakPolarHBondContact O-CD1 3.33Å; P95-I97 WeakPolarHBondContact O-CG1 3.34Å; P95-I97 PolarHBondContact O-N 3.29Å
96N48.6Very low53.9Low112 Ų112106.5 Ų106.560%0.59957%0.572SS**  trans-51.690.8-167.7-172.6109.4000114.2E94 D98 S99E94-N96 PolarHBondContact O-N 2.91Å; N96-D98 PolarHBondContact O-N 2.86Å; N96-S99 PolarHBondContact ND2-N 3.24Å; N96-S99 PolarHBondContact O-N 3Å
97I48.3Very low53.3Low120 Ų120108.6 Ų108.662%0.61558%0.58SS**THydrogen-bonded Turntrans-63.8-28.1-174.4-55.9-61.2000112.6P95 S99 A106P95-I97 VanDerWaalsContact O-CD1 3.28Å; P95-I97 WeakPolarHBondContact O-CD1 3.33Å; P95-I97 WeakPolarHBondContact O-CG1 3.34Å; P95-I97 PolarHBondContact O-N 3.29Å; I97-S99 PolarHBondContact O-N 3.38Å; I97-A106 HydrophobicContact CD1-CB 4.06Å
98D51.8Low52.7Low155 Ų155105.7 Ų105.783%0.82957%0.567SS**THydrogen-bonded Turntrans-69.44.4177-104.1-103.2000114.8N96 P100N96-D98 PolarHBondContact O-N 2.86Å; D98-P100 WeakPolarHBondContact O-CD 3.33Å
99S45.5Very low52.1Low57 Ų57103.7 Ų103.740%0.39955%0.552SS.*  trans-92.2109.4174.3-169.60000110.4N96 I97 L101N96-S99 PolarHBondContact ND2-N 3.24Å; N96-S99 PolarHBondContact O-N 3Å; I97-S99 PolarHBondContact O-N 3.38Å; S99-L101 PolarHBondContact O-N 3.33Å
100P46.3Very low52.1Low116 Ų116104.3 Ų104.375%0.75355%0.554SS**THydrogen-bonded Turntrans-70.82.8-171.630.2-37.4000114.3D98D98-P100 WeakPolarHBondContact O-CD 3.33Å
101L56.1Low52.1Low159 Ų159104.4 Ų104.483%0.83256%0.555SS**THydrogen-bonded Turntrans-87.6-8.2-177.3-89.6159000114.6S99S99-L101 PolarHBondContact O-N 3.33Å
102N56.8Low52.3Low97 Ų97101.7 Ų101.752%0.51955%0.549SS..  trans-149.946.5177.1-153.1-7.7000116.2H104 A105 A106N102-H104 PolarHBondContact O-N 3.37Å; N102-A105 VanDerWaalsContact CG-CB 3.49Å; N102-A105 WeakPolarHBondContact ND2-CB 3.21Å; N102-A105 PolarHBondContact O-N 2.81Å; N102-A105 WeakPolarHBondContact OD1-CB 3.33Å; N102-A105 PolarHBondContact OD1-N 3.32Å; N102-A106 WeakPolarHBondContact O-CB 3.43Å; N102-A106 PolarHBondContact O-N 2.79Å; N102-A106 VanDerWaalsContact O-N 3.13Å
103T55.9Low53.4Low105 Ų105101.8 Ų101.864%0.64456%0.556SS**Hα-helixtrans-56.1-34.4173.5-14.10000112.6A106 E107T103-A106 PolarHBondContact O-N 2.92Å; T103-E107 PolarHBondContact O-N 3.2Å; T103-E107 VanDerWaalsContact O-N 3.1Å
104H55.2Low54.2Low162 Ų16298.3 Ų98.375%0.7554%0.537SS*.Hα-helixtrans-70.3-44.4-177.4-170.7-79.7000113N102 A106 E107 L108N102-H104 PolarHBondContact O-N 3.37Å; H104-A106 VanDerWaalsContact C-N 3.35Å; H104-E107 PolarHBondContact O-N 2.85Å; H104-L108 PolarHBondContact O-N 2.92Å
105A53.8Low55.2Low29 Ų2993 Ų9324%0.2451%0.511CS..Hα-helixtrans-71.6-31.3173.700000111.9N102 E107 L108 W109N102-A105 VanDerWaalsContact CG-CB 3.49Å; N102-A105 WeakPolarHBondContact ND2-CB 3.21Å; N102-A105 PolarHBondContact O-N 2.81Å; N102-A105 WeakPolarHBondContact OD1-CB 3.33Å; N102-A105 PolarHBondContact OD1-N 3.32Å; A105-E107 VanDerWaalsContact C-N 3.27Å; A105-E107 PolarHBondContact O-N 2.86Å; A105-L108 PolarHBondContact O-N 3.45Å; A105-W109 VanDerWaalsContact O-CB 3.29Å; A105-W109 WeakPolarHBondContact O-CB 3.38Å; A105-W109 PolarHBondContact O-N 3.29Å
106A54.4Low56.2Low29 Ų2997 Ų9724%0.2452%0.522CS..Hα-helixtrans-62.3-32.9174.400000112.7I97 N102 T103 H104I97-A106 HydrophobicContact CD1-CB 4.06Å; N102-A106 WeakPolarHBondContact O-CB 3.43Å; N102-A106 PolarHBondContact O-N 2.79Å; N102-A106 VanDerWaalsContact O-N 3.13Å; T103-A106 PolarHBondContact O-N 2.92Å; H104-A106 VanDerWaalsContact C-N 3.35Å
107E59.1Low57.5Low120 Ų12098 Ų9856%0.56152%0.522SS*.Hα-helixtrans-70.7-46.6170.4-176.4125.2-96.400112.3T103 H104 A105 W109 K110T103-E107 PolarHBondContact O-N 3.2Å; T103-E107 VanDerWaalsContact O-N 3.1Å; H104-E107 PolarHBondContact O-N 2.85Å; A105-E107 VanDerWaalsContact C-N 3.27Å; A105-E107 PolarHBondContact O-N 2.86Å; E107-W109 PolarHBondContact O-N 2.85Å; E107-K110 WeakPolarHBondContact O-CB 3.44Å; E107-K110 WeakPolarHBondContact O-CG 3.16Å; E107-K110 PolarHBondContact O-N 3.17Å; E107-K110 IonicContact OE1-NZ 3.57Å; E107-K110 PolarHBondContact OE1-NZ 2.8Å
108L56.1Low58.5Low46 Ų4698.7 Ų98.724%0.24152%0.517CS..Hα-helixtrans-61.6-33.7178.1-169.164.1000112.2H104 A105 K110 N111 A114 F115 Y118H104-L108 PolarHBondContact O-N 2.92Å; A105-L108 PolarHBondContact O-N 3.45Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.25Å; L108-N111 PolarHBondContact O-N 3.21Å; L108-N111 VanDerWaalsContact O-N 3.11Å; L108-A114 HydrophobicContact CD1-CB 3.92Å; L108-F115 HydrophobicContact CD2-CD2 4.16Å; L108-F115 HydrophobicContact CG-CB 4.4Å; L108-F115 HydrophobicContact CG-CD2 4.32Å; L108-Y118 HydrophobicContact CD2-CD1 4.08Å; L108-Y118 HydrophobicContact CD2-CG 3.97Å
109W54.4Low59.5Low75 Ų7595.3 Ų95.328%0.28450%0.499SS..Hα-helixtrans-62.3-27.9178-164.5-96.3000113.5F89 L90 A105 E107 N111 F115F89-W109 AromaticContact CD1-CH2 3.55Å; F89-W109 HydrophobicContact CD1-CH2 3.55Å; F89-W109 AromaticContact CD1-CZ2 3.89Å; F89-W109 HydrophobicContact CD1-CZ2 3.89Å; F89-W109 AromaticContact CE1-CH2 3.41Å; F89-W109 HydrophobicContact CE1-CH2 3.41Å; F89-W109 VanDerWaalsContact CE1-CH2 3.41Å; F89-W109 AromaticContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ2 3.88Å; F89-W109 HydrophobicContact CE1-CZ3 4.11Å; L90-W109 HydrophobicContact CD2-CH2 4.17Å; L90-W109 HydrophobicContact CD2-CZ2 3.71Å; A105-W109 VanDerWaalsContact O-CB 3.29Å; A105-W109 WeakPolarHBondContact O-CB 3.38Å; A105-W109 PolarHBondContact O-N 3.29Å; E107-W109 PolarHBondContact O-N 2.85Å; W109-N111 PolarHBondContact O-N 3.3Å; W109-N111 VanDerWaalsContact O-N 3.14Å; W109-F115 AromaticContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD2 4.07Å; W109-F115 AromaticContact CE3-CE1 3.87Å; W109-F115 HydrophobicContact CE3-CE1 3.87Å; W109-F115 AromaticContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CG 4.08Å; W109-F115 AromaticContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CH2-CE1 4.17Å; W109-F115 AromaticContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD2 4.44Å; W109-F115 AromaticContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE2 4.07Å; W109-F115 HydrophobicContact CZ3-CG 4.31Å; W109-F115 AromaticContact CZ3-CZ 3.48Å; W109-F115 HydrophobicContact CZ3-CZ 3.48Å; W109-F115 VanDerWaalsContact CZ3-CZ 3.48Å
110K59.3Low60.9Low143 Ų14398 Ų9862%0.62251%0.505SS*.THydrogen-bonded Turntrans-59.9-23.4174.7-58.3170.6-171.7167.80112.4E107 L108 P112E107-K110 WeakPolarHBondContact O-CB 3.44Å; E107-K110 WeakPolarHBondContact O-CG 3.16Å; E107-K110 PolarHBondContact O-N 3.17Å; E107-K110 IonicContact OE1-NZ 3.57Å; E107-K110 PolarHBondContact OE1-NZ 2.8Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.25Å; K110-P112 WeakPolarHBondContact O-CD 3.33Å
111N58Low62.1Low99 Ų9997.7 Ų97.753%0.52949%0.494SS..  trans-116.684.5-178.5-72.5-74.3000110.2L108 W109 T113 A114 F115L108-N111 PolarHBondContact O-N 3.21Å; L108-N111 VanDerWaalsContact O-N 3.11Å; W109-N111 PolarHBondContact O-N 3.3Å; W109-N111 VanDerWaalsContact O-N 3.14Å; N111-T113 PolarHBondContact O-N 3.06Å; N111-T113 VanDerWaalsContact O-N 3.07Å; N111-A114 HydrophobicContact CB-CB 3.88Å; N111-A114 WeakPolarHBondContact O-CB 3.28Å; N111-A114 PolarHBondContact O-N 3.45Å; N111-F115 PolarHBondContact O-N 3.13Å
112P58Low62.9Low73 Ų7392.4 Ų92.447%0.47447%0.468SS..Hα-helixtrans-58.3-29.9-173.321.5-33.4000113.3K110 K116K110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-K116 WeakPolarHBondContact O-CB 3.29Å; P112-K116 VanDerWaalsContact O-CG 3.29Å; P112-K116 WeakPolarHBondContact O-CG 3.29Å; P112-K116 PolarHBondContact O-N 3.44Å
113T64.9Low63.2Low114 Ų11495.4 Ų95.470%0.69947%0.473SS*.Hα-helixtrans-64.2-42.4173.1-480000112.5N111 K117N111-T113 PolarHBondContact O-N 3.06Å; N111-T113 VanDerWaalsContact O-N 3.07Å; T113-K117 WeakPolarHBondContact O-CB 3.37Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 3.25Å; T113-K117 VanDerWaalsContact O-N 3.07Å
114A63.1Low63.8Low41 Ų4193.1 Ų93.134%0.33946%0.462SS..Hα-helixtrans-71.5-42.1178.200000111L108 N111 K117 Y118L108-A114 HydrophobicContact CD1-CB 3.92Å; N111-A114 HydrophobicContact CB-CB 3.88Å; N111-A114 WeakPolarHBondContact O-CB 3.28Å; N111-A114 PolarHBondContact O-N 3.45Å; A114-K117 PolarHBondContact O-N 3.22Å; A114-Y118 PolarHBondContact O-N 2.82Å
115F66.8Low64.3Low39 Ų3991.3 Ų91.317%0.17145%0.452CS..Hα-helixtrans-62.4-45175.4-176.6-100.9000112.5L108 W109 N111 K117 Y118 L119L108-F115 HydrophobicContact CD2-CD2 4.16Å; L108-F115 HydrophobicContact CG-CB 4.4Å; L108-F115 HydrophobicContact CG-CD2 4.32Å; W109-F115 AromaticContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD1 3.97Å; W109-F115 HydrophobicContact CE3-CD2 4.07Å; W109-F115 AromaticContact CE3-CE1 3.87Å; W109-F115 HydrophobicContact CE3-CE1 3.87Å; W109-F115 AromaticContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CE2 3.98Å; W109-F115 HydrophobicContact CE3-CG 4.08Å; W109-F115 AromaticContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CE3-CZ 3.89Å; W109-F115 HydrophobicContact CH2-CE1 4.17Å; W109-F115 AromaticContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD1 3.75Å; W109-F115 HydrophobicContact CZ3-CD2 4.44Å; W109-F115 AromaticContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE1 3.29Å; W109-F115 HydrophobicContact CZ3-CE2 4.07Å; W109-F115 HydrophobicContact CZ3-CG 4.31Å; W109-F115 AromaticContact CZ3-CZ 3.48Å; W109-F115 HydrophobicContact CZ3-CZ 3.48Å; W109-F115 VanDerWaalsContact CZ3-CZ 3.48Å; N111-F115 PolarHBondContact O-N 3.13Å; F115-K117 VanDerWaalsContact C-N 3.31Å; F115-K117 PolarHBondContact O-N 2.93Å; F115-Y118 PolarHBondContact O-N 2.91Å; F115-L119 HydrophobicContact CD1-CD1 4.14Å; F115-L119 HydrophobicContact CD1-CG 4.36Å; F115-L119 HydrophobicContact CE1-CD1 3.3Å; F115-L119 HydrophobicContact CE1-CD2 4.5Å; F115-L119 HydrophobicContact CE1-CG 3.74Å; F115-L119 HydrophobicContact CE2-CD2 4.42Å; F115-L119 HydrophobicContact CE2-CG 4.25Å; F115-L119 HydrophobicContact CZ-CD1 3.56Å; F115-L119 HydrophobicContact CZ-CD2 3.96Å; F115-L119 HydrophobicContact CZ-CG 3.67Å; F115-L119 PolarHBondContact O-N 3.31Å
116K68Low64.6Low145 Ų14596 Ų9663%0.6347%0.468SS*.Hα-helixtrans-63.3-35.3174.8-72.8-179.775.1160.70112.2P112 Q120P112-K116 WeakPolarHBondContact O-CB 3.29Å; P112-K116 VanDerWaalsContact O-CG 3.29Å; P112-K116 WeakPolarHBondContact O-CG 3.29Å; P112-K116 PolarHBondContact O-N 3.44Å; K116-Q120 VanDerWaalsContact O-CB 3.25Å; K116-Q120 WeakPolarHBondContact O-CB 3.25Å; K116-Q120 PolarHBondContact O-N 3.26Å
117K75Confident64.7Low134 Ų13498.1 Ų98.158%0.58348%0.479SS*.Hα-helixtrans-65.9-45.3172.5-82.2-69.2-175.7-174.80112.6T113 A114 F115 Q120 E121T113-K117 WeakPolarHBondContact O-CB 3.37Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 3.25Å; T113-K117 VanDerWaalsContact O-N 3.07Å; A114-K117 PolarHBondContact O-N 3.22Å; F115-K117 VanDerWaalsContact C-N 3.31Å; F115-K117 PolarHBondContact O-N 2.93Å; K117-Q120 PolarHBondContact O-N 2.88Å; K117-E121 WeakPolarHBondContact O-CB 3.35Å; K117-E121 PolarHBondContact O-N 3.39Å
118Y69.4Low64.5Low134 Ų13497.2 Ų97.253%0.52548%0.481SS..Hα-helixtrans-59.5-50.2176.4179.1-101.6000111.5L108 A114 F115 Q120 E121 T122L108-Y118 HydrophobicContact CD2-CD1 4.08Å; L108-Y118 HydrophobicContact CD2-CG 3.97Å; A114-Y118 PolarHBondContact O-N 2.82Å; F115-Y118 PolarHBondContact O-N 2.91Å; Y118-Q120 VanDerWaalsContact C-N 3.35Å; Y118-Q120 PolarHBondContact O-N 3.04Å; Y118-E121 PolarHBondContact O-N 2.94Å; Y118-T122 WeakPolarHBondContact O-CB 3.06Å; Y118-T122 PolarHBondContact O-N 2.98Å; Y118-T122 PolarHBondContact O-OG1 2.89Å
119L73.5Confident64.4Low84 Ų84100.2 Ų100.244%0.4451%0.506SS..Hα-helixtrans-59.9-42.1175-73.6-169.7000112.8F115 Y123F115-L119 HydrophobicContact CD1-CD1 4.14Å; F115-L119 HydrophobicContact CD1-CG 4.36Å; F115-L119 HydrophobicContact CE1-CD1 3.3Å; F115-L119 HydrophobicContact CE1-CD2 4.5Å; F115-L119 HydrophobicContact CE1-CG 3.74Å; F115-L119 HydrophobicContact CE2-CD2 4.42Å; F115-L119 HydrophobicContact CE2-CG 4.25Å; F115-L119 HydrophobicContact CZ-CD1 3.56Å; F115-L119 HydrophobicContact CZ-CD2 3.96Å; F115-L119 HydrophobicContact CZ-CG 3.67Å; F115-L119 PolarHBondContact O-N 3.31Å; L119-Y123 WeakPolarHBondContact O-CB 3.43Å; L119-Y123 PolarHBondContact O-N 3.41Å
120Q74.8Confident64.4Low115 Ų115104.7 Ų104.754%0.53753%0.53SS..Hα-helixtrans-63-45.6178.1-174.8-179.911.500111.2K116 K117 Y118 Y123 S124K116-Q120 VanDerWaalsContact O-CB 3.25Å; K116-Q120 WeakPolarHBondContact O-CB 3.25Å; K116-Q120 PolarHBondContact O-N 3.26Å; K117-Q120 PolarHBondContact O-N 2.88Å; Y118-Q120 VanDerWaalsContact C-N 3.35Å; Y118-Q120 PolarHBondContact O-N 3.04Å; Q120-Y123 PolarHBondContact O-N 2.97Å; Q120-S124 WeakPolarHBondContact O-CB 3.45Å; Q120-S124 PolarHBondContact O-N 3.25Å; Q120-S124 PolarHBondContact O-OG 3.18Å
121E71.6Confident63.6Low109 Ų109105.7 Ų105.751%0.50954%0.537SS..Hα-helixtrans-67.1-42.3179.3-165.9-166.5129.100111.9K117 Y118 K125K117-E121 WeakPolarHBondContact O-CB 3.35Å; K117-E121 PolarHBondContact O-N 3.39Å; Y118-E121 PolarHBondContact O-N 2.94Å; E121-K125 HydrophobicContact CG-CD 4.44Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 WeakPolarHBondContact O-CG 3.42Å; E121-K125 PolarHBondContact O-N 3.43Å; E121-K125 WeakPolarHBondContact OE1-CE 3.41Å; E121-K125 IonicContact OE1-NZ 2.75Å; E121-K125 PolarHBondContact OE1-NZ 3.41Å
122T73.8Confident63.4Low48 Ų48110.2 Ų110.229%0.29457%0.572SS.*Hα-helixtrans-61.1-48.4173.7-57.40000111Y118 K125 Q126Y118-T122 WeakPolarHBondContact O-CB 3.06Å; Y118-T122 PolarHBondContact O-N 2.98Å; Y118-T122 PolarHBondContact O-OG1 2.89Å; T122-K125 PolarHBondContact O-N 3.28Å; T122-Q126 WeakPolarHBondContact O-CG 3.33Å; T122-Q126 PolarHBondContact O-N 3.1Å
123Y62.6Low63.7Low159 Ų159112.1 Ų112.162%0.62458%0.577SS**Hα-helixtrans-63.7-44179.2-172.4-95.1000111.8L119 Q120 K125 Q126 V127L119-Y123 WeakPolarHBondContact O-CB 3.43Å; L119-Y123 PolarHBondContact O-N 3.41Å; Q120-Y123 PolarHBondContact O-N 2.97Å; Y123-K125 PolarHBondContact O-N 2.87Å; Y123-Q126 PolarHBondContact O-N 3.11Å; Y123-V127 HydrophobicContact CD1-CG2 3.96Å; Y123-V127 HydrophobicContact CE1-CG2 3.56Å; Y123-V127 HydrophobicContact CE2-CG2 4.42Å; Y123-V127 WeakPolarHBondContact O-CG2 3.42Å; Y123-V127 PolarHBondContact O-N 3.19Å
124S67.6Low63.6Low58 Ų58112 Ų11241%0.40657%0.571SS.*Hα-helixtrans-56.3-49.4172.4-75.80000111.6Q120 Q126 V127 T128Q120-S124 WeakPolarHBondContact O-CB 3.45Å; Q120-S124 PolarHBondContact O-N 3.25Å; Q120-S124 PolarHBondContact O-OG 3.18Å; S124-Q126 VanDerWaalsContact C-N 3.31Å; S124-Q126 PolarHBondContact O-N 3.32Å; S124-V127 PolarHBondContact O-N 3.31Å; S124-T128 PolarHBondContact O-N 2.63Å; S124-T128 PolarHBondContact O-OG1 3.14Å
125K66.5Low63.7Low123 Ų123115.9 Ų115.954%0.53558%0.583SS.*Hα-helixtrans-55.8-44176.7-79.5168.7169.6169.30112.4E121 T122 Y123 S129E121-K125 HydrophobicContact CG-CD 4.44Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 WeakPolarHBondContact O-CG 3.42Å; E121-K125 PolarHBondContact O-N 3.43Å; E121-K125 WeakPolarHBondContact OE1-CE 3.41Å; E121-K125 IonicContact OE1-NZ 2.75Å; E121-K125 PolarHBondContact OE1-NZ 3.41Å; T122-K125 PolarHBondContact O-N 3.28Å; Y123-K125 PolarHBondContact O-N 2.87Å; K125-S129 VanDerWaalsContact O-CB 3.28Å; K125-S129 WeakPolarHBondContact O-CB 3.48Å; K125-S129 PolarHBondContact O-N 3Å; K125-S129 PolarHBondContact O-OG 3.07Å
126Q60.4Low63.5Low127 Ų127120.5 Ų120.559%0.59361%0.608SS**Hα-helixtrans-66.7-39.8178.4-65-173.1109.400112.4T122 Y123 S124 Q130T122-Q126 WeakPolarHBondContact O-CG 3.33Å; T122-Q126 PolarHBondContact O-N 3.1Å; Y123-Q126 PolarHBondContact O-N 3.11Å; S124-Q126 VanDerWaalsContact C-N 3.31Å; S124-Q126 PolarHBondContact O-N 3.32Å; Q126-Q130 WeakPolarHBondContact O-CB 3.47Å; Q126-Q130 PolarHBondContact O-N 3.07Å
127V54.8Low63.2Low75 Ų75118.9 Ų118.946%0.45561%0.606SS.*Hα-helixtrans-70.8-43.1178.31720000112.1Y123 S124 S129 Q130Y123-V127 HydrophobicContact CD1-CG2 3.96Å; Y123-V127 HydrophobicContact CE1-CG2 3.56Å; Y123-V127 HydrophobicContact CE2-CG2 4.42Å; Y123-V127 WeakPolarHBondContact O-CG2 3.42Å; Y123-V127 PolarHBondContact O-N 3.19Å; S124-V127 PolarHBondContact O-N 3.31Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 2.89Å; V127-Q130 CarbonylContact O-C 3.54Å; V127-Q130 PolarHBondContact O-N 2.75Å
128T55Low62.4Low101 Ų101117.9 Ų117.962%0.6261%0.608SS**Hα-helixtrans-76.1-19.7178.5-30.40000112.9S124S124-T128 PolarHBondContact O-N 2.63Å; S124-T128 PolarHBondContact O-OG1 3.14Å
129S55Low61.9Low109 Ų109116.8 Ų116.876%0.76261%0.614SS**THydrogen-bonded Turntrans-83.59.1164.9-64.70000113.5K125 V127K125-S129 VanDerWaalsContact O-CB 3.28Å; K125-S129 WeakPolarHBondContact O-CB 3.48Å; K125-S129 PolarHBondContact O-N 3Å; K125-S129 PolarHBondContact O-OG 3.07Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 2.89Å
130Q53.5Low61Low169 Ų169119.3 Ų119.379%0.7963%0.627SS**THydrogen-bonded Turntrans-124.927.4174.9-157.7160.828.400112.2Q126 V127Q126-Q130 WeakPolarHBondContact O-CB 3.47Å; Q126-Q130 PolarHBondContact O-N 3.07Å; V127-Q130 CarbonylContact O-C 3.54Å; V127-Q130 PolarHBondContact O-N 2.75Å
131E43.3Very low59.9Low163 Ų163119.7 Ų119.776%0.76264%0.635SS**  trans-90.3134.7158.9-162.2164.3104.600108.3
132P54.5Low58.8Low195 Ų195120.6 Ų120.6100%1.26665%0.646SS**  trans-85.20-169.834.4-36.9000115.3

Retrieved 132 of 132 residues in 131.2 ms (Link to these results)