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Isoform C2 of Cadherin-23 AlphaSync

Canonical isoform description: Cadherins are calcium-dependent cell adhesion proteins. They preferentially interact with themselves in a homophilic manner in connecting cells. CDH23 is required for establishing and/or maintaining the proper organization of the stereocilia bundle of hair cells in the cochlea and the vestibule during late embryonic/early postnatal development. It is part of the functional network formed by USH1C, USH1G, CDH23 and MYO7A that mediates mechanotransduction in cochlear hair cells. Required for normal hearing.

AlphaFold DB , UniProt , Accession Q99PF4-6 (canonical: Q99PF4), Species MOUSE (Mus musculus, Mouse), Gene Cdh23, Length 199 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
1M40.2Very low58.4Low242 Ų242144.7 Ų144.7100%1.19275%0.746SS**  085.80-159.5179.7-113.300107.4
2L44.4Very low60.4Low174 Ų174145.9 Ų145.991%0.91173%0.734SS**  trans-92.4105.7179.1-80.4163000107.6
3L48.4Very low61.6Low154 Ų154141.5 Ų141.581%0.80671%0.713SS**  trans-62.8128167.1-72.1164.3000107.8N5L3-N5 PolarHBondContact O-N 3.19Å
4P55.3Low63.2Low83 Ų83135.1 Ų135.154%0.53968%0.682SS.*  trans-73.4120.6172-2.820.3000107.1Y6P4-Y6 HydrophobicContact CB-CD2 3.69Å; P4-Y6 HydrophobicContact CB-CE2 3.43Å; P4-Y6 VanDerWaalsContact CB-CE2 3.43Å; P4-Y6 HydrophobicContact CB-CG 4.48Å; P4-Y6 HydrophobicContact CG-CD2 4.12Å; P4-Y6 HydrophobicContact CG-CE2 3.59Å; P4-Y6 PolarHBondContact O-N 3.13Å
5N54.4Low64.6Low163 Ų163131.7 Ų131.787%0.87267%0.673SS**  trans-65.675.4165.5-77.1-50.7000108.8L3 R7L3-N5 PolarHBondContact O-N 3.19Å; N5-R7 PolarHBondContact O-N 3.24Å
6Y51.1Low65.8Low204 Ų204134.3 Ų134.380%0.868%0.678SS**  trans-72.474.7162.3-68.8-72.5000107.4P4 A8P4-Y6 HydrophobicContact CB-CD2 3.69Å; P4-Y6 HydrophobicContact CB-CE2 3.43Å; P4-Y6 VanDerWaalsContact CB-CE2 3.43Å; P4-Y6 HydrophobicContact CB-CG 4.48Å; P4-Y6 HydrophobicContact CG-CD2 4.12Å; P4-Y6 HydrophobicContact CG-CE2 3.59Å; P4-Y6 PolarHBondContact O-N 3.13Å; Y6-A8 PolarHBondContact O-N 3.23Å
7R55.3Low67Low238 Ų238128.9 Ų128.990%0.89866%0.655SS**  trans-63.6107.8163.3-168.4-174.1-90.9-159.6-3.9104.8N5 N9N5-R7 PolarHBondContact O-N 3.24Å; R7-N9 PolarHBondContact O-N 3.37Å
8A65.2Low68Low92 Ų92128.2 Ų128.276%0.7664%0.643SS**  trans-46.3113.3-17800000109.6Y6 P10Y6-A8 PolarHBondContact O-N 3.23Å; A8-P10 WeakPolarHBondContact O-CD 3.27Å
9N70.2Confident69Low90 Ų90126.7 Ų126.748%0.48164%0.637SS.*  trans-69119.9169.2-166.724.7000105.5R7 V11 L13R7-N9 PolarHBondContact O-N 3.37Å; N9-V11 PolarHBondContact O-N 3.13Å; N9-L13 VanDerWaalsContact ND2-C 3.26Å; N9-L13 PolarHBondContact ND2-O 3.13Å; N9-L13 WeakPolarHBondContact OD1-CB 3.39Å; N9-L13 WeakPolarHBondContact OD1-CD1 3.3Å
10P81Confident69.8Low54 Ų54126.9 Ų126.935%0.35164%0.64SS.*  trans-57.6139.2176.228.1-36.7000108.5A8 W12 L13A8-P10 WeakPolarHBondContact O-CD 3.27Å; P10-W12 HydrophobicContact CB-CG 4.47Å; P10-W12 VanDerWaalsContact CB-NE1 3.32Å; P10-W12 HydrophobicContact CG-CD2 4.47Å; P10-W12 HydrophobicContact CG-CZ2 4.03Å; P10-W12 PolarHBondContact O-N 2.96Å; P10-L13 HydrophobicContact CG-CB 4.24Å; P10-L13 HydrophobicContact CG-CD1 3.68Å; P10-L13 HydrophobicContact CG-CG 4.06Å; P10-L13 WeakPolarHBondContact O-CB 3.47Å; P10-L13 PolarHBondContact O-N 3.27Å
11V77.2Confident70.5Confident98 Ų98125.2 Ų125.259%0.59463%0.63SS**G310 helixtrans-47.3-34.5-172.4154.20000113.2N9 L13 D14 C17N9-V11 PolarHBondContact O-N 3.13Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 3.34Å; V11-D14 WeakPolarHBondContact O-CB 3.42Å; V11-D14 PolarHBondContact O-N 3.36Å; V11-D14 VanDerWaalsContact O-N 3.1Å; V11-C17 HydrophobicContact CG1-CB 3.66Å; V11-C17 WeakPolarHBondContact O-CB 3.26Å
12W82Confident72.5Confident159 Ų159117 Ų11760%0.60259%0.591SS**G310 helixtrans-71.2-14.2179.462.8-94.6000115.1P10P10-W12 HydrophobicContact CB-CG 4.47Å; P10-W12 VanDerWaalsContact CB-NE1 3.32Å; P10-W12 HydrophobicContact CG-CD2 4.47Å; P10-W12 HydrophobicContact CG-CZ2 4.03Å; P10-W12 PolarHBondContact O-N 2.96Å
13L76.3Confident74.4Confident88 Ų88111.4 Ų111.446%0.46157%0.569SS.*G310 helixtrans-97.5-4.4171.7-76.9177.4000112.5N9 P10 V11 P15N9-L13 VanDerWaalsContact ND2-C 3.26Å; N9-L13 PolarHBondContact ND2-O 3.13Å; N9-L13 WeakPolarHBondContact OD1-CB 3.39Å; N9-L13 WeakPolarHBondContact OD1-CD1 3.3Å; P10-L13 HydrophobicContact CG-CB 4.24Å; P10-L13 HydrophobicContact CG-CD1 3.68Å; P10-L13 HydrophobicContact CG-CG 4.06Å; P10-L13 WeakPolarHBondContact O-CB 3.47Å; P10-L13 PolarHBondContact O-N 3.27Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 3.34Å; L13-P15 WeakPolarHBondContact O-CD 3.46Å
14D83.3Confident76.1Confident53 Ų53106.5 Ų106.528%0.28355%0.551SS.*  trans-81.1117.1170.1-174.8-15.5000108.8V11 F16 C17 R18V11-D14 WeakPolarHBondContact O-CB 3.42Å; V11-D14 PolarHBondContact O-N 3.36Å; V11-D14 VanDerWaalsContact O-N 3.1Å; D14-F16 PolarHBondContact O-N 3.39Å; D14-F16 VanDerWaalsContact O-N 3.17Å; D14-F16 WeakPolarHBondContact OD1-CB 3.34Å; D14-F16 PolarHBondContact OD1-N 3.11Å; D14-C17 HydrophobicContact CB-CB 4.12Å; D14-C17 PolarHBondContact O-N 3.42Å; D14-R18 VanDerWaalsContact O-CB 3.32Å; D14-R18 WeakPolarHBondContact O-CB 3.4Å; D14-R18 PolarHBondContact O-N 3.25Å
15P84.1Confident77Confident83 Ų83107.8 Ų107.854%0.53955%0.549SS..Hα-helixtrans-54.9-32.9176.9-24.534.4000113.2L13 N19L13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-N19 WeakPolarHBondContact O-CB 3.24Å; P15-N19 PolarHBondContact O-N 3.31Å; P15-N19 PolarHBondContact O-ND2 3.14Å
16F85.3Confident77.9Confident174 Ų174102.6 Ų102.676%0.76353%0.529SS*.Hα-helixtrans-68-50.6178.9-74.4-83.2000111.6D14 N19 L20D14-F16 PolarHBondContact O-N 3.39Å; D14-F16 VanDerWaalsContact O-N 3.17Å; D14-F16 WeakPolarHBondContact OD1-CB 3.34Å; D14-F16 PolarHBondContact OD1-N 3.11Å; F16-N19 PolarHBondContact O-N 3.01Å; F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 PolarHBondContact O-N 2.83Å
17C85.6Confident78.8Confident43 Ų43100.7 Ų100.729%0.29153%0.528SS..Hα-helixtrans-65.6-41.4178.1-63.80000111.8V11 D14 N19 L20 E21V11-C17 HydrophobicContact CG1-CB 3.66Å; V11-C17 WeakPolarHBondContact O-CB 3.26Å; D14-C17 HydrophobicContact CB-CB 4.12Å; D14-C17 PolarHBondContact O-N 3.42Å; C17-N19 PolarHBondContact O-N 3.5Å; C17-L20 PolarHBondContact O-N 3.13Å; C17-E21 WeakPolarHBondContact O-CB 3.39Å; C17-E21 PolarHBondContact O-N 3.06Å
18R84.6Confident79.6Confident115 Ų11595.2 Ų95.243%0.43451%0.512SS..Hα-helixtrans-61.6-43.3177.3-179.957.7178.2-130.74.9111.9D14 E21 L22D14-R18 VanDerWaalsContact O-CB 3.32Å; D14-R18 WeakPolarHBondContact O-CB 3.4Å; D14-R18 PolarHBondContact O-N 3.25Å; R18-E21 PolarHBondContact O-N 3.48Å; R18-L22 HydrophobicContact CG-CD1 4.11Å; R18-L22 WeakPolarHBondContact O-CB 3.32Å; R18-L22 VanDerWaalsContact O-CG 3.24Å; R18-L22 WeakPolarHBondContact O-CG 3.3Å; R18-L22 PolarHBondContact O-N 3.48Å
19N86.3Confident79.3Confident100 Ų10098 Ų9854%0.53551%0.509SS..Hα-helixtrans-69-37.6179.3-71.5-20000112.1P15 F16 C17 L22 A23P15-N19 WeakPolarHBondContact O-CB 3.24Å; P15-N19 PolarHBondContact O-N 3.31Å; P15-N19 PolarHBondContact O-ND2 3.14Å; F16-N19 PolarHBondContact O-N 3.01Å; C17-N19 PolarHBondContact O-N 3.5Å; N19-L22 PolarHBondContact O-N 3.43Å; N19-A23 WeakPolarHBondContact O-CB 3.07Å; N19-A23 PolarHBondContact O-N 3.34Å
20L86.7Confident78.9Confident131 Ų131101.1 Ų101.169%0.68653%0.526SS*.Hα-helixtrans-64.3-43.4175.3-178.164.8000111.5F16 C17 A23 A24F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 PolarHBondContact O-N 2.83Å; C17-L20 PolarHBondContact O-N 3.13Å; L20-A23 PolarHBondContact O-N 3.42Å; L20-A24 PolarHBondContact O-N 2.8Å
21E84.3Confident78.3Confident91 Ų91104.8 Ų104.843%0.42554%0.543SS..Hα-helixtrans-63.5-44174.8-177.7175.3-161.900111.8C17 R18 A23 A24 Q25C17-E21 WeakPolarHBondContact O-CB 3.39Å; C17-E21 PolarHBondContact O-N 3.06Å; R18-E21 PolarHBondContact O-N 3.48Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 3.35Å; E21-A24 PolarHBondContact O-N 3.29Å; E21-Q25 WeakPolarHBondContact O-CG 3.49Å; E21-Q25 PolarHBondContact O-N 2.97Å
22L82.1Confident77.9Confident71 Ų71106.6 Ų106.637%0.37255%0.548SS..Hα-helixtrans-62.7-38.1175-74.5173.1000112.3R18 N19 Q25 A26R18-L22 HydrophobicContact CG-CD1 4.11Å; R18-L22 WeakPolarHBondContact O-CB 3.32Å; R18-L22 VanDerWaalsContact O-CG 3.24Å; R18-L22 WeakPolarHBondContact O-CG 3.3Å; R18-L22 PolarHBondContact O-N 3.48Å; N19-L22 PolarHBondContact O-N 3.43Å; L22-Q25 PolarHBondContact O-N 3.07Å; L22-A26 WeakPolarHBondContact O-CB 3.5Å; L22-A26 PolarHBondContact O-N 3Å
23A84.8Confident77.3Confident55 Ų55101.9 Ų101.946%0.45554%0.538SS..Hα-helixtrans-65.1-41.4175.700000111.3N19 L20 E21 A26 E27N19-A23 WeakPolarHBondContact O-CB 3.07Å; N19-A23 PolarHBondContact O-N 3.34Å; L20-A23 PolarHBondContact O-N 3.42Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 3.35Å; A23-A26 PolarHBondContact O-N 3.39Å; A23-E27 PolarHBondContact O-N 3.08Å
24A82.4Confident77.1Confident51 Ų51107.7 Ų107.742%0.42156%0.563SS.*Hα-helixtrans-64.2-40.117400000112L20 E21 E27 H28L20-A24 PolarHBondContact O-N 2.8Å; E21-A24 PolarHBondContact O-N 3.29Å; A24-E27 PolarHBondContact O-N 3.36Å; A24-H28 PolarHBondContact O-CD2 2.81Å
25Q75Confident76.4Confident110 Ų110108.2 Ų108.251%0.51457%0.566SS.*Hα-helixtrans-66.6-35.5175.6-73177.3-8.900112.6E21 L22 E27 H28E21-Q25 WeakPolarHBondContact O-CG 3.49Å; E21-Q25 PolarHBondContact O-N 2.97Å; L22-Q25 PolarHBondContact O-N 3.07Å; Q25-E27 PolarHBondContact O-N 2.8Å; Q25-H28 WeakPolarHBondContact O-CA 3.38Å; Q25-H28 PolarHBondContact O-N 3.49Å
26A74Confident76Confident54 Ų54109.5 Ų109.545%0.44657%0.568SS.*Hα-helixtrans-71.9-13.2177.600000113.5L22 A23 E29L22-A26 WeakPolarHBondContact O-CB 3.5Å; L22-A26 PolarHBondContact O-N 3Å; A23-A26 PolarHBondContact O-N 3.39Å; A26-E29 WeakPolarHBondContact O-CG 3.36Å
27E70.1Confident75.5Confident164 Ų164104.7 Ų104.777%0.76656%0.555SS**THydrogen-bonded Turntrans-78.9-11.1168-68-177.2175.400111.9A23 A24 Q25A23-E27 PolarHBondContact O-N 3.08Å; A24-E27 PolarHBondContact O-N 3.36Å; Q25-E27 PolarHBondContact O-N 2.8Å
28H70.3Confident74.8Confident123 Ų123108.6 Ų108.657%0.56957%0.569SS**  trans-112.643.3-177.5-64.7-62.4000113.1A24 Q25 D30 D31A24-H28 PolarHBondContact O-CD2 2.81Å; Q25-H28 WeakPolarHBondContact O-CA 3.38Å; Q25-H28 PolarHBondContact O-N 3.49Å; H28-D30 PolarHBondContact O-N 2.94Å; H28-D31 PolarHBondContact O-N 3.29Å
29E59.3Low74.3Confident150 Ų150106.4 Ų106.470%0.70157%0.566SS**THydrogen-bonded Turntrans-61.7-4.3-179.4-66-74.1136.600114.9A26A26-E29 WeakPolarHBondContact O-CG 3.36Å
30D62.6Low73.7Confident156 Ų156103.9 Ų103.983%0.83456%0.558SS**THydrogen-bonded Turntrans-103.9-1.1-173.3-72.3-34.7000114.8H28 L32H28-D30 PolarHBondContact O-N 2.94Å; D30-L32 VanDerWaalsContact C-N 3.26Å; D30-L32 PolarHBondContact O-N 3.3Å
31D67.2Low73.1Confident132 Ų132102.6 Ų102.671%0.70655%0.552SS**  trans-90.229.6-179.7-68.6-30.5000113.5H28H28-D31 PolarHBondContact O-N 3.29Å
32L69Low72.5Confident135 Ų135103.3 Ų103.371%0.70756%0.558SS**SBendtrans-74127.2169.5-149.977.5000108.1D30 E34D30-L32 VanDerWaalsContact C-N 3.26Å; D30-L32 PolarHBondContact O-N 3.3Å; L32-E34 PolarHBondContact O-N 3.03Å
33P70.1Confident72Confident60 Ų60109.7 Ų109.739%0.3958%0.578SS.*  trans-57129.2177.820.1-30.2000109.5N35 L36 I39P33-N35 PolarHBondContact O-N 2.98Å; P33-L36 HydrophobicContact CG-CD2 4.35Å; P33-I39 HydrophobicContact CG-CD1 3.8Å; P33-I39 HydrophobicContact CG-CG1 4.45Å
34E71.1Confident71.5Confident211 Ų211113.1 Ų113.199%0.98659%0.588SS**SBendtrans-53.2-23177.6-65.5-176.5172.200111.7L32L32-E34 PolarHBondContact O-N 3.03Å
35N70.3Confident70.8Confident64 Ų64114.2 Ų114.234%0.34259%0.593SS.*  trans-128.9108.2-179-171.41.3000112.4P33 S37P33-N35 PolarHBondContact O-N 2.98Å; N35-S37 PolarHBondContact O-N 2.63Å; N35-S37 WeakPolarHBondContact OD1-CA 3.43Å; N35-S37 WeakPolarHBondContact OD1-CB 3.27Å; N35-S37 PolarHBondContact OD1-N 3.38Å; N35-S37 PolarHBondContact OD1-OG 2.78Å
36L74.1Confident70.4Confident110 Ų110114.2 Ų114.258%0.57660%0.603SS**THydrogen-bonded Turntrans-71.8-10.4173.1-60.6177.2000113.6P33 E38 I39P33-L36 HydrophobicContact CG-CD2 4.35Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 3.01Å; L36-I39 HydrophobicContact CD2-CD1 3.64Å; L36-I39 WeakPolarHBondContact O-CB 3.42Å; L36-I39 PolarHBondContact O-N 3.28Å
37S75.6Confident69.9Low72 Ų72116.6 Ų116.650%0.50361%0.611SS.*Hα-helixtrans-68.5-32.9-179.4-45.50000111.9N35 I39 A40 D41N35-S37 PolarHBondContact O-N 2.63Å; N35-S37 WeakPolarHBondContact OD1-CA 3.43Å; N35-S37 WeakPolarHBondContact OD1-CB 3.27Å; N35-S37 PolarHBondContact OD1-N 3.38Å; N35-S37 PolarHBondContact OD1-OG 2.78Å; S37-I39 PolarHBondContact O-N 3.08Å; S37-A40 WeakPolarHBondContact O-CB 3.16Å; S37-A40 PolarHBondContact O-N 3.17Å; S37-A40 VanDerWaalsContact O-N 3.11Å; S37-D41 PolarHBondContact O-N 3.04Å
38E70Confident69.5Low126 Ų126118.8 Ų118.859%0.58961%0.613SS**Hα-helixtrans-64.8-31.3177.5-66.2173.6-15600111.9L36 D41 L42L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 3.01Å; E38-D41 PolarHBondContact O-N 2.89Å; E38-L42 PolarHBondContact O-N 3.12Å
39I74.5Confident69.2Low69 Ų69117.5 Ų117.535%0.35461%0.614SS.*Hα-helixtrans-65.1-45173.5-62.2163.7000109.6P33 L36 S37 D41 L42 W43P33-I39 HydrophobicContact CG-CD1 3.8Å; P33-I39 HydrophobicContact CG-CG1 4.45Å; L36-I39 HydrophobicContact CD2-CD1 3.64Å; L36-I39 WeakPolarHBondContact O-CB 3.42Å; L36-I39 PolarHBondContact O-N 3.28Å; S37-I39 PolarHBondContact O-N 3.08Å; I39-D41 VanDerWaalsContact C-N 3.33Å; I39-D41 PolarHBondContact O-N 3.29Å; I39-L42 WeakPolarHBondContact O-CB 3.5Å; I39-L42 PolarHBondContact O-N 3.27Å; I39-W43 PolarHBondContact O-N 3.24Å; I39-W43 VanDerWaalsContact O-N 3.09Å
40A74.9Confident69.2Low46 Ų46120 Ų12038%0.3863%0.625SS.*Hα-helixtrans-62.8-40.5177.800000111.7S37 L42 W43 N44S37-A40 WeakPolarHBondContact O-CB 3.16Å; S37-A40 PolarHBondContact O-N 3.17Å; S37-A40 VanDerWaalsContact O-N 3.11Å; A40-L42 VanDerWaalsContact C-N 3.3Å; A40-L42 PolarHBondContact O-N 3.32Å; A40-W43 PolarHBondContact O-N 2.88Å; A40-N44 WeakPolarHBondContact O-CB 3.25Å; A40-N44 VanDerWaalsContact O-CG 3.29Å; A40-N44 PolarHBondContact O-N 3.4Å; A40-N44 PolarHBondContact O-ND2 2.92Å
41D73.5Confident69.2Low104 Ų104114.5 Ų114.556%0.55661%0.606SS**Hα-helixtrans-62.3-36.7175.4-72.4-22.8000112.1S37 E38 I39 N44 S45S37-D41 PolarHBondContact O-N 3.04Å; E38-D41 PolarHBondContact O-N 2.89Å; I39-D41 VanDerWaalsContact C-N 3.33Å; I39-D41 PolarHBondContact O-N 3.29Å; D41-N44 PolarHBondContact O-N 2.83Å; D41-S45 WeakPolarHBondContact O-CA 3.31Å; D41-S45 VanDerWaalsContact O-CB 3.31Å; D41-S45 WeakPolarHBondContact O-CB 3.45Å; D41-S45 PolarHBondContact O-N 3.3Å
42L71.1Confident69Low106 Ų106114.9 Ų114.956%0.55561%0.613SS**Hα-helixtrans-66.2-37.4174.5-175.462.2000112.8E38 I39 A40 S45E38-L42 PolarHBondContact O-N 3.12Å; I39-L42 WeakPolarHBondContact O-CB 3.5Å; I39-L42 PolarHBondContact O-N 3.27Å; A40-L42 VanDerWaalsContact C-N 3.3Å; A40-L42 PolarHBondContact O-N 3.32Å; L42-S45 CarbonylContact O-C 3.25Å; L42-S45 VanDerWaalsContact O-C 3.25Å
43W72.9Confident68.7Low205 Ų205118.4 Ų118.478%0.77762%0.623SS**Hα-helixtrans-71.6-36.6174.9-74.6106000112.6I39 A40I39-W43 PolarHBondContact O-N 3.24Å; I39-W43 VanDerWaalsContact O-N 3.09Å; A40-W43 PolarHBondContact O-N 2.88Å
44N73.6Confident68Low127 Ų127117 Ų11768%0.67962%0.62SS**Hα-helixtrans-78.5-25.7178.6-70-45.4000112.6A40 D41A40-N44 WeakPolarHBondContact O-CB 3.25Å; A40-N44 VanDerWaalsContact O-CG 3.29Å; A40-N44 PolarHBondContact O-N 3.4Å; A40-N44 PolarHBondContact O-ND2 2.92Å; D41-N44 PolarHBondContact O-N 2.83Å
45S67.4Low67.5Low74 Ų74116.7 Ų116.752%0.51761%0.609SS.*SBendtrans-127.782.4177-56.80000109.4D41 L42 T47D41-S45 WeakPolarHBondContact O-CA 3.31Å; D41-S45 VanDerWaalsContact O-CB 3.31Å; D41-S45 WeakPolarHBondContact O-CB 3.45Å; D41-S45 PolarHBondContact O-N 3.3Å; L42-S45 CarbonylContact O-C 3.25Å; L42-S45 VanDerWaalsContact O-C 3.25Å; S45-T47 PolarHBondContact O-N 3.04Å; S45-T47 PolarHBondContact O-OG1 3.18Å
46P66.4Low66.9Low111 Ų111120.8 Ų120.872%0.72163%0.627SS**  trans-59.592.5173.6-18.730.3000108.7R48P46-R48 PolarHBondContact O-N 3.18Å
47T63.7Low66.3Low103 Ų103120.8 Ų120.863%0.63263%0.633SS**  trans-64.5130.6179.3-62.70000106.3S45 T49S45-T47 PolarHBondContact O-N 3.04Å; S45-T47 PolarHBondContact O-OG1 3.18Å; T47-T49 PolarHBondContact O-N 2.92Å
48R61.8Low65.5Low210 Ų210120.4 Ų120.479%0.79263%0.634SS**  trans-57.698.5-177.9-172.8-179.8-170.8-127.64.3109.4P46P46-R48 PolarHBondContact O-N 3.18Å
49T63.8Low64.9Low96 Ų96118.8 Ų118.859%0.58964%0.642SS**  trans-66.2139.5174550000108T47 G51T47-T49 PolarHBondContact O-N 2.92Å; T49-G51 PolarHBondContact O-N 3.36Å
50H58.9Low64.1Low202 Ų202121 Ų12194%0.93566%0.659SS**SBendtrans-69.411.8-175.7-126.3-84.3000113.8
51G64Low63.4Low42 Ų42126.1 Ų126.143%0.43367%0.672SS.*SBendtrans-89.3159.1178.700000112.7T49 F53 G54T49-G51 PolarHBondContact O-N 3.36Å; G51-F53 PolarHBondContact O-N 3.35Å; G51-G54 PolarHBondContact O-N 2.88Å
52T62.7Low62.9Low139 Ų139126 Ų12685%0.85368%0.677SS**G310 helixtrans-60.7-14.7173.253.40000113.3G54T52-G54 PolarHBondContact O-N 3.44Å
53F62.2Low62.4Low209 Ų209127.4 Ų127.492%0.91769%0.686SS**G310 helixtrans-69.8-8.8177.5-111.5-94.1000114.7G51G51-F53 PolarHBondContact O-N 3.35Å
54G56.3Low62Low32 Ų32123.9 Ų123.933%0.3368%0.682SS.*G310 helixtrans-112.417.3-178.600000114.9G51 T52 E56G51-G54 PolarHBondContact O-N 2.88Å; T52-G54 PolarHBondContact O-N 3.44Å; G54-E56 PolarHBondContact O-N 3.33Å; G54-E56 VanDerWaalsContact O-N 3.13Å
55R59.4Low62.3Low203 Ų203121.1 Ų121.177%0.76667%0.667SS**  trans-72107.1169.5-162.9178.3-166.7-104.23.1107.1P57R55-P57 WeakPolarHBondContact O-CD 3.45Å; R55-P57 VanDerWaalsContact O-N 3.07Å
56E59.1Low63.3Low151 Ų151126.8 Ų126.871%0.70668%0.677SS**  trans-45.4121.2165.3-172.2-165.117800106.6G54 A58G54-E56 PolarHBondContact O-N 3.33Å; G54-E56 VanDerWaalsContact O-N 3.13Å; E56-A58 PolarHBondContact O-N 2.9Å
57P60.6Low64.3Low110 Ų110131 Ų13171%0.71468%0.68SS**  trans-56.3113.717120.3-26.1000104.9R55 A59R55-P57 WeakPolarHBondContact O-CD 3.45Å; R55-P57 VanDerWaalsContact O-N 3.07Å; P57-A59 PolarHBondContact O-N 3.31Å
58A59.8Low65.5Low63 Ų63130.6 Ų130.652%0.52167%0.674SS.*  trans-46.2120.8175.600000105.5E56 V60E56-A58 PolarHBondContact O-N 2.9Å; A58-V60 WeakPolarHBondContact O-CG2 3.5Å; A58-V60 PolarHBondContact O-N 3.48Å
59A57.4Low66.9Low92 Ų92129.3 Ų129.376%0.7667%0.669SS**  trans-61.879.7-178.800000108.1P57 K61P57-A59 PolarHBondContact O-N 3.31Å; A59-K61 PolarHBondContact O-N 3.26Å
60V57.5Low68.2Low116 Ų116127 Ų12770%0.70366%0.659SS**  trans-61.5126.6170.6170.90000103.8A58A58-V60 WeakPolarHBondContact O-CG2 3.5Å; A58-V60 PolarHBondContact O-N 3.48Å
61K59.5Low69.8Low153 Ų153119.2 Ų119.267%0.66563%0.63SS**  trans-46.7145.9-173.3-65.1-168.7171.2-174.20110.9A59 D63A59-K61 PolarHBondContact O-N 3.26Å; K61-D63 PolarHBondContact O-N 3.5Å
62P62.7Low71.1Confident102 Ų102121.5 Ų121.566%0.66263%0.631SS**G310 helixtrans-61.93.7-179.927.7-36.4000114.4D64P62-D64 PolarHBondContact O-N 3.46Å
63D60.2Low72.6Confident136 Ų136119.5 Ų119.573%0.72761%0.612SS**G310 helixtrans-72.4-15.3-179.8-63.2-42.1000113.1K61K61-D63 PolarHBondContact O-N 3.5Å
64D65Low74.1Confident130 Ų130115.4 Ų115.470%0.69560%0.596SS**G310 helixtrans-117.553.2-178.8-98.2-26.4000112.8P62 R66P62-D64 PolarHBondContact O-N 3.46Å; D64-R66 PolarHBondContact O-N 3.05Å
65D80.1Confident75.9Confident70 Ų70122.2 Ų122.237%0.37461%0.613SS.*THydrogen-bonded Turntrans-66.324.9172.3-79.1-11.5000113.9Y67 L68 R69D65-Y67 VanDerWaalsContact C-N 3.25Å; D65-Y67 PolarHBondContact O-N 2.93Å; D65-L68 HydrophobicContact CB-CB 4.17Å; D65-L68 PolarHBondContact O-N 2.89Å; D65-R69 WeakPolarHBondContact O-CB 3.39Å; D65-R69 WeakPolarHBondContact O-CG 3.37Å; D65-R69 PolarHBondContact O-N 3.41Å
66R88.2Confident77.6Confident192 Ų192116.4 Ų116.473%0.72560%0.597SS**Hα-helixtrans-54.9-42.6-178.8-176.6178.4-178.6-122.9-0.9111.8D64 A70D64-R66 PolarHBondContact O-N 3.05Å; R66-A70 VanDerWaalsContact O-CB 3.26Å; R66-A70 WeakPolarHBondContact O-CB 3.29Å; R66-A70 PolarHBondContact O-N 3.26Å
67Y87.4Confident79.2Confident201 Ų201112.6 Ų112.679%0.78858%0.582SS**Hα-helixtrans-66.1-43.8176.7-74.3-77.6000111.9D65 A70 A71D65-Y67 VanDerWaalsContact C-N 3.25Å; D65-Y67 PolarHBondContact O-N 2.93Å; Y67-A70 PolarHBondContact O-N 2.87Å; Y67-A71 WeakPolarHBondContact O-CB 3.33Å; Y67-A71 PolarHBondContact O-N 3.1Å
68L89.5Confident80.7Confident94 Ų94112.7 Ų112.749%0.49258%0.575SS.*Hα-helixtrans-65.5-44.4179.2-17959.7000111.4D65 A71 I72D65-L68 HydrophobicContact CB-CB 4.17Å; D65-L68 PolarHBondContact O-N 2.89Å; L68-A71 PolarHBondContact O-N 3.44Å; L68-I72 HydrophobicContact CD1-CD1 4.15Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.34Å; L68-I72 PolarHBondContact O-N 3.26Å
69R90.8Very high82.2Confident183 Ų183112.5 Ų112.569%0.69157%0.573SS**Hα-helixtrans-61.6-43.2175-69.9-179.1-177.4-176.72.2112D65 I72 Q73D65-R69 WeakPolarHBondContact O-CB 3.39Å; D65-R69 WeakPolarHBondContact O-CG 3.37Å; D65-R69 PolarHBondContact O-N 3.41Å; R69-I72 PolarHBondContact O-N 3.03Å; R69-Q73 WeakPolarHBondContact O-CB 3.43Å; R69-Q73 PolarHBondContact O-N 3.33Å
70A91.4Very high83.8Confident46 Ų46113.6 Ų113.638%0.3856%0.561SS.*Hα-helixtrans-63.1-43.9175.500000111.6R66 Y67 Q73 E74R66-A70 VanDerWaalsContact O-CB 3.26Å; R66-A70 WeakPolarHBondContact O-CB 3.29Å; R66-A70 PolarHBondContact O-N 3.26Å; Y67-A70 PolarHBondContact O-N 2.87Å; A70-Q73 PolarHBondContact O-N 2.89Å; A70-E74 WeakPolarHBondContact O-CG 3.26Å; A70-E74 PolarHBondContact O-N 3.47Å
71A92.5Very high85.4Confident39 Ų39112.9 Ų112.932%0.32255%0.552SS.*Hα-helixtrans-61.4-47.2177.300000111.7Y67 L68 Q73 E74 Y75Y67-A71 WeakPolarHBondContact O-CB 3.33Å; Y67-A71 PolarHBondContact O-N 3.1Å; L68-A71 PolarHBondContact O-N 3.44Å; A71-Q73 VanDerWaalsContact C-N 3.34Å; A71-Q73 PolarHBondContact O-N 3.38Å; A71-E74 PolarHBondContact O-N 2.88Å; A71-Y75 WeakPolarHBondContact O-CD2 2.99Å; A71-Y75 PolarHBondContact O-N 3.49Å
72I90.8Very high87Confident91 Ų91106.5 Ų106.547%0.46753%0.531SS..Hα-helixtrans-58.2-47176.5-68164.9000110.6L68 R69 E74 Y75 D76L68-I72 HydrophobicContact CD1-CD1 4.15Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.34Å; L68-I72 PolarHBondContact O-N 3.26Å; R69-I72 PolarHBondContact O-N 3.03Å; I72-E74 VanDerWaalsContact C-N 3.31Å; I72-E74 PolarHBondContact O-N 3.47Å; I72-Y75 WeakPolarHBondContact O-CB 3.48Å; I72-Y75 PolarHBondContact O-N 3.22Å; I72-D76 PolarHBondContact O-N 3.16Å
73Q94.7Very high88.2Confident96 Ų96105.6 Ų105.645%0.44952%0.518SS..Hα-helixtrans-60.8-38.4177.3-175.863.25600112.5R69 A70 A71 D76 N77R69-Q73 WeakPolarHBondContact O-CB 3.43Å; R69-Q73 PolarHBondContact O-N 3.33Å; A70-Q73 PolarHBondContact O-N 2.89Å; A71-Q73 VanDerWaalsContact C-N 3.34Å; A71-Q73 PolarHBondContact O-N 3.38Å; Q73-D76 PolarHBondContact O-N 2.99Å; Q73-N77 PolarHBondContact NE2-OD1 3.43Å; Q73-N77 WeakPolarHBondContact O-CB 3.47Å; Q73-N77 PolarHBondContact O-N 2.93Å; Q73-N77 PolarHBondContact O-ND2 2.88Å; Q73-N77 PolarHBondContact O-OD1 2.94Å
74E93Very high89.6Confident123 Ų123101.2 Ų101.258%0.57549%0.494SS*.Hα-helixtrans-64.2-41.8175.8-77.2-179.4-161.600111.9A70 A71 I72 D76 N77 I78A70-E74 WeakPolarHBondContact O-CG 3.26Å; A70-E74 PolarHBondContact O-N 3.47Å; A71-E74 PolarHBondContact O-N 2.88Å; I72-E74 VanDerWaalsContact C-N 3.31Å; I72-E74 PolarHBondContact O-N 3.47Å; E74-D76 VanDerWaalsContact C-N 3.33Å; E74-D76 PolarHBondContact O-N 3.2Å; E74-N77 WeakPolarHBondContact O-CB 3.47Å; E74-N77 PolarHBondContact O-N 3.22Å; E74-I78 VanDerWaalsContact O-CG1 3.25Å; E74-I78 WeakPolarHBondContact O-CG1 3.27Å; E74-I78 PolarHBondContact O-N 3.01Å
75Y95.2Very high90.7Very high175 Ų175101.6 Ų101.669%0.68649%0.494SS*.Hα-helixtrans-58.7-45.2173.1-81.8-73.9000111.7A71 I72 N77 I78 A79A71-Y75 WeakPolarHBondContact O-CD2 2.99Å; A71-Y75 PolarHBondContact O-N 3.49Å; I72-Y75 WeakPolarHBondContact O-CB 3.48Å; I72-Y75 PolarHBondContact O-N 3.22Å; Y75-N77 PolarHBondContact O-N 2.83Å; Y75-I78 PolarHBondContact O-N 2.84Å; Y75-A79 WeakPolarHBondContact O-CB 3.38Å; Y75-A79 PolarHBondContact O-N 3.49Å
76D94.8Very high91.2Very high81 Ų81106.3 Ų106.343%0.43351%0.507SS..Hα-helixtrans-64.3-40.7176.9-71-23.2000111.9I72 Q73 E74 I78 A79 K80I72-D76 PolarHBondContact O-N 3.16Å; Q73-D76 PolarHBondContact O-N 2.99Å; E74-D76 VanDerWaalsContact C-N 3.33Å; E74-D76 PolarHBondContact O-N 3.2Å; D76-I78 PolarHBondContact O-N 2.92Å; D76-A79 PolarHBondContact O-N 3.22Å; D76-K80 WeakPolarHBondContact O-CB 3.02Å; D76-K80 WeakPolarHBondContact O-CG 3.31Å; D76-K80 PolarHBondContact O-N 2.93Å
77N93.1Very high91.2Very high72 Ų72101 Ų10139%0.38549%0.49SS..Hα-helixtrans-61-44.3175.5-68.2-17000111.3Q73 E74 Y75 A79 K80 L81Q73-N77 PolarHBondContact NE2-OD1 3.43Å; Q73-N77 WeakPolarHBondContact O-CB 3.47Å; Q73-N77 PolarHBondContact O-N 2.93Å; Q73-N77 PolarHBondContact O-ND2 2.88Å; Q73-N77 PolarHBondContact O-OD1 2.94Å; E74-N77 WeakPolarHBondContact O-CB 3.47Å; E74-N77 PolarHBondContact O-N 3.22Å; Y75-N77 PolarHBondContact O-N 2.83Å; N77-A79 VanDerWaalsContact C-N 3.35Å; N77-K80 PolarHBondContact O-N 3.47Å; N77-L81 WeakPolarHBondContact O-CB 3.48Å; N77-L81 VanDerWaalsContact O-CG 3.31Å; N77-L81 WeakPolarHBondContact O-CG 3.41Å; N77-L81 PolarHBondContact O-N 2.6Å
78I91.8Very high91Very high112 Ų11292.5 Ų92.557%0.57446%0.464SS*.Hα-helixtrans-63.6-41.6176.8-68163.9000110.5E74 Y75 D76 L81 G82E74-I78 VanDerWaalsContact O-CG1 3.25Å; E74-I78 WeakPolarHBondContact O-CG1 3.27Å; E74-I78 PolarHBondContact O-N 3.01Å; Y75-I78 PolarHBondContact O-N 2.84Å; D76-I78 PolarHBondContact O-N 2.92Å; I78-L81 PolarHBondContact O-N 3.41Å; I78-G82 PolarHBondContact O-N 3.41Å
79A91.6Very high90.5Very high59 Ų5992.8 Ų92.849%0.48847%0.471SS..Hα-helixtrans-63.4-45.6176.900000112Y75 D76 N77 G82 Q83Y75-A79 WeakPolarHBondContact O-CB 3.38Å; Y75-A79 PolarHBondContact O-N 3.49Å; D76-A79 PolarHBondContact O-N 3.22Å; N77-A79 VanDerWaalsContact C-N 3.35Å; A79-G82 PolarHBondContact O-N 3.2Å; A79-Q83 PolarHBondContact O-N 3.27Å
80K90.8Very high89.4Confident115 Ų11590.5 Ų90.550%0.547%0.472SS..Hα-helixtrans-58.4-47.3173.8-73.3179.1-177.2-172.30111D76 N77 G82 Q83 I84D76-K80 WeakPolarHBondContact O-CB 3.02Å; D76-K80 WeakPolarHBondContact O-CG 3.31Å; D76-K80 PolarHBondContact O-N 2.93Å; N77-K80 PolarHBondContact O-N 3.47Å; K80-G82 PolarHBondContact O-N 3.13Å; K80-Q83 WeakPolarHBondContact O-CB 3.5Å; K80-Q83 PolarHBondContact O-N 3.28Å; K80-Q83 VanDerWaalsContact O-N 3.1Å; K80-I84 WeakPolarHBondContact O-CD1 3.32Å; K80-I84 VanDerWaalsContact O-CG1 3.3Å; K80-I84 WeakPolarHBondContact O-CG1 3.45Å; K80-I84 PolarHBondContact O-N 3.22Å
81L90.9Very high88.2Confident100 Ų10093.2 Ų93.252%0.52448%0.475SS..Hα-helixtrans-58.5-44.8175.1-75173.2000112.4N77 I78 Q83 I84 I85N77-L81 WeakPolarHBondContact O-CB 3.48Å; N77-L81 VanDerWaalsContact O-CG 3.31Å; N77-L81 WeakPolarHBondContact O-CG 3.41Å; N77-L81 PolarHBondContact O-N 2.6Å; I78-L81 PolarHBondContact O-N 3.41Å; L81-Q83 PolarHBondContact O-N 2.73Å; L81-I84 HydrophobicContact CD2-CD1 4.39Å; L81-I84 PolarHBondContact O-N 3.37Å; L81-I85 VanDerWaalsContact O-CG1 3.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.45Å; L81-I85 PolarHBondContact O-N 3.3Å
82G91.8Very high86.9Confident20 Ų2094.2 Ų94.221%0.20648%0.475CS..Hα-helixtrans-58.3-38.3175.200000112.5I78 A79 K80 R86I78-G82 PolarHBondContact O-N 3.41Å; A79-G82 PolarHBondContact O-N 3.2Å; K80-G82 PolarHBondContact O-N 3.13Å; G82-R86 VanDerWaalsContact C-CZ 3.46Å; G82-R86 WeakPolarHBondContact O-CG 3.34Å; G82-R86 VanDerWaalsContact O-CZ 3.23Å; G82-R86 PolarHBondContact O-N 3.01Å; G82-R86 VanDerWaalsContact O-N 3.16Å; G82-R86 PolarHBondContact O-NE 3.01Å; G82-R86 PolarHBondContact O-NH1 3.13Å
83Q89.6Confident85.5Confident83 Ų8396 Ų9639%0.38848%0.484SS..Hα-helixtrans-66.8-45.2175.6-170.662.818.200112A79 K80 L81 I85 R86 E87A79-Q83 PolarHBondContact O-N 3.27Å; K80-Q83 WeakPolarHBondContact O-CB 3.5Å; K80-Q83 PolarHBondContact O-N 3.28Å; K80-Q83 VanDerWaalsContact O-N 3.1Å; L81-Q83 PolarHBondContact O-N 2.73Å; Q83-I85 VanDerWaalsContact C-N 3.32Å; Q83-I85 PolarHBondContact O-N 3.22Å; Q83-R86 PolarHBondContact O-N 2.78Å; Q83-E87 HydrophobicContact CG-CG 4.17Å; Q83-E87 PolarHBondContact NE2-OE1 2.98Å; Q83-E87 WeakPolarHBondContact O-CB 3.44Å; Q83-E87 VanDerWaalsContact O-CG 3.24Å; Q83-E87 WeakPolarHBondContact O-CG 3.45Å; Q83-E87 PolarHBondContact O-N 3.37Å
84I88.2Confident83.7Confident44 Ų4499.2 Ų99.223%0.22650%0.498CS..Hα-helixtrans-60.7-43178.2-64.4155.5000111.1K80 L81 R86 E87 G88 L92K80-I84 WeakPolarHBondContact O-CD1 3.32Å; K80-I84 VanDerWaalsContact O-CG1 3.3Å; K80-I84 WeakPolarHBondContact O-CG1 3.45Å; K80-I84 PolarHBondContact O-N 3.22Å; L81-I84 HydrophobicContact CD2-CD1 4.39Å; L81-I84 PolarHBondContact O-N 3.37Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.28Å; I84-E87 PolarHBondContact O-N 3.36Å; I84-G88 CarbonylContact O-C 3.41Å; I84-G88 WeakPolarHBondContact O-CA 3.45Å; I84-G88 PolarHBondContact O-N 3.2Å; I84-L92 HydrophobicContact CD1-CD1 4.42Å; I84-L92 HydrophobicContact CD1-CD2 3.27Å; I84-L92 HydrophobicContact CD1-CG 4.09Å; I84-L92 HydrophobicContact CG1-CD1 4.45Å; I84-L92 HydrophobicContact CG1-CD2 3.48Å; I84-L92 VanDerWaalsContact CG1-CD2 3.48Å; I84-L92 HydrophobicContact CG1-CG 3.88Å; I84-L92 HydrophobicContact CG2-CD1 3.82Å; I84-L92 HydrophobicContact CG2-CD2 4.4Å; I84-L92 HydrophobicContact CG2-CG 3.99Å
85I88.1Confident82Confident138 Ų13897.7 Ų97.771%0.70850%0.498SS*.Hα-helixtrans-63.4-40.5178.3-69166.6000110.9L81 Q83L81-I85 VanDerWaalsContact O-CG1 3.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.45Å; L81-I85 PolarHBondContact O-N 3.3Å; Q83-I85 VanDerWaalsContact C-N 3.32Å; Q83-I85 PolarHBondContact O-N 3.22Å
86R90.8Very high80.2Confident168 Ų16896 Ų9663%0.63450%0.5SS*.Hα-helixtrans-70.2-40.9178.7-74.5-175.2-62.8-91.94.3113.1G82 Q83 I84G82-R86 VanDerWaalsContact C-CZ 3.46Å; G82-R86 WeakPolarHBondContact O-CG 3.34Å; G82-R86 VanDerWaalsContact O-CZ 3.23Å; G82-R86 PolarHBondContact O-N 3.01Å; G82-R86 VanDerWaalsContact O-N 3.16Å; G82-R86 PolarHBondContact O-NE 3.01Å; G82-R86 PolarHBondContact O-NH1 3.13Å; Q83-R86 PolarHBondContact O-N 2.78Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.28Å
87E89.4Confident78.4Confident80 Ų8099.3 Ų99.337%0.37452%0.517SS..Hα-helixtrans-93.3-13.1-170.8-64.4-71.8-146.300114.2Q83 I84 K91Q83-E87 HydrophobicContact CG-CG 4.17Å; Q83-E87 PolarHBondContact NE2-OE1 2.98Å; Q83-E87 WeakPolarHBondContact O-CB 3.44Å; Q83-E87 VanDerWaalsContact O-CG 3.24Å; Q83-E87 WeakPolarHBondContact O-CG 3.45Å; Q83-E87 PolarHBondContact O-N 3.37Å; I84-E87 PolarHBondContact O-N 3.36Å; E87-K91 HydrophobicContact CB-CB 4.28Å; E87-K91 HydrophobicContact CB-CD 3.54Å; E87-K91 HydrophobicContact CB-CG 3.85Å; E87-K91 HydrophobicContact CG-CD 3.82Å; E87-K91 IonicContact OE1-NZ 2.63Å; E87-K91 PolarHBondContact OE1-NZ 2.88Å; E87-K91 WeakPolarHBondContact OE2-CE 3.49Å; E87-K91 IonicContact OE2-NZ 2.78Å; E87-K91 PolarHBondContact OE2-NZ 2.79Å
88G82.8Confident76.5Confident24 Ų24104.8 Ų104.825%0.24754%0.541CS..  trans82.7160.5-172.100000113I84 I90 K91I84-G88 CarbonylContact O-C 3.41Å; I84-G88 WeakPolarHBondContact O-CA 3.45Å; I84-G88 PolarHBondContact O-N 3.2Å; G88-I90 PolarHBondContact O-N 3.25Å; G88-K91 PolarHBondContact O-N 3.04Å
89P78Confident74.6Confident99 Ų99107.6 Ų107.664%0.64355%0.551SS**G310 helixtrans-65-13.8-171.726-35.2000114.2K91 L92P89-K91 VanDerWaalsContact C-N 3.31Å; P89-K91 PolarHBondContact O-N 2.88Å; P89-L92 WeakPolarHBondContact O-CB 3.45Å; P89-L92 PolarHBondContact O-N 3.3Å
90I69.2Low72.7Confident136 Ų136113 Ų11370%0.69757%0.567SS**G310 helixtrans-69-29.9-176.9-58.8174000111.4G88 L92 I93G88-I90 PolarHBondContact O-N 3.25Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 2.79Å; I90-I93 PolarHBondContact O-N 3.34Å
91K65.9Low70.5Confident103 Ų103112.7 Ų112.745%0.44858%0.576SS.*G310 helixtrans-72.8-16.4-178.9-62.7-151.8-167179.80114.2E87 G88 P89 I93 H94 T95E87-K91 HydrophobicContact CB-CB 4.28Å; E87-K91 HydrophobicContact CB-CD 3.54Å; E87-K91 HydrophobicContact CB-CG 3.85Å; E87-K91 HydrophobicContact CG-CD 3.82Å; E87-K91 IonicContact OE1-NZ 2.63Å; E87-K91 PolarHBondContact OE1-NZ 2.88Å; E87-K91 WeakPolarHBondContact OE2-CE 3.49Å; E87-K91 IonicContact OE2-NZ 2.78Å; E87-K91 PolarHBondContact OE2-NZ 2.79Å; G88-K91 PolarHBondContact O-N 3.04Å; P89-K91 VanDerWaalsContact C-N 3.31Å; P89-K91 PolarHBondContact O-N 2.88Å; K91-I93 PolarHBondContact O-N 2.81Å; K91-H94 PolarHBondContact O-N 3.3Å; K91-T95 PolarHBondContact O-OG1 3.46Å
92L64.6Low68.3Low60 Ų60111 Ų11131%0.31458%0.583SS.*Hα-helixtrans-58.7-34.1175.4-79.6171.5000113I84 P89 I90 H94 T95I84-L92 HydrophobicContact CD1-CD1 4.42Å; I84-L92 HydrophobicContact CD1-CD2 3.27Å; I84-L92 HydrophobicContact CD1-CG 4.09Å; I84-L92 HydrophobicContact CG1-CD1 4.45Å; I84-L92 HydrophobicContact CG1-CD2 3.48Å; I84-L92 VanDerWaalsContact CG1-CD2 3.48Å; I84-L92 HydrophobicContact CG1-CG 3.88Å; I84-L92 HydrophobicContact CG2-CD1 3.82Å; I84-L92 HydrophobicContact CG2-CD2 4.4Å; I84-L92 HydrophobicContact CG2-CG 3.99Å; P89-L92 WeakPolarHBondContact O-CB 3.45Å; P89-L92 PolarHBondContact O-N 3.3Å; I90-L92 VanDerWaalsContact C-N 3.27Å; I90-L92 PolarHBondContact O-N 2.79Å; L92-H94 PolarHBondContact O-N 2.95Å; L92-T95 PolarHBondContact O-N 3.04Å; L92-T95 PolarHBondContact O-OG1 3.41Å; L92-T95 VanDerWaalsContact O-OG1 3.14Å
93I61Low65.9Low128 Ų128117.5 Ų117.566%0.65661%0.613SS**Hα-helixtrans-69.1-24.5-173.3-56.6170.7000111.7I90 K91I90-I93 PolarHBondContact O-N 3.34Å; K91-I93 PolarHBondContact O-N 2.81Å
94H57.2Low64.1Low163 Ų163122.5 Ų122.576%0.75564%0.636SS**Hα-helixtrans-93.7-21.8179.6-94.870000113.7K91 L92K91-H94 PolarHBondContact O-N 3.3Å; L92-H94 PolarHBondContact O-N 2.95Å
95T57.6Low62.1Low92 Ų92125.9 Ų125.956%0.56466%0.664SS**Hα-helixtrans-84.8-20.4-172.346.40000114.1K91 L92 L97K91-T95 PolarHBondContact O-OG1 3.46Å; L92-T95 PolarHBondContact O-N 3.04Å; L92-T95 PolarHBondContact O-OG1 3.41Å; L92-T95 VanDerWaalsContact O-OG1 3.14Å; T95-L97 VanDerWaalsContact C-N 3.26Å; T95-L97 PolarHBondContact O-N 2.67Å
96D57.2Low60.2Low138 Ų138125.9 Ų125.974%0.73867%0.673SS**THydrogen-bonded Turntrans-843.3-176.3-62.7-17.2000113.5
97L56.3Low58.4Low152 Ų152121.2 Ų121.280%0.79668%0.676SS**THydrogen-bonded Turntrans-111.1-0.1-171.2-121.1142.1000114.6T95T95-L97 VanDerWaalsContact C-N 3.26Å; T95-L97 PolarHBondContact O-N 2.67Å
98E54.3Low56.6Low187 Ų187127 Ų12787%0.87470%0.704SS**SBendtrans-117.621.2-174.8-82.7-102.8147.100114.1
99E52.1Low55.1Low170 Ų170129.6 Ų129.679%0.79473%0.73SS**  trans-125.297.3176-157.6175.9165.800111.9
100E51.2Low54Low174 Ų174129.6 Ų129.681%0.81373%0.733SS**  trans-151.1152.9174-117.5-76.1136.900108
101P45.3Very low53.7Low108 Ų108130 Ų13070%0.70174%0.736SS**  cis-116.5154.5-47.534-23000112.1
102G44.4Very low53.7Low65 Ų65133.3 Ų133.367%0.6775%0.745SS**  trans-146.587.9171.400000112.5H104G102-H104 PolarHBondContact O-N 2.8Å
103D40.7Very low53.7Low156 Ų156137.2 Ų137.283%0.83476%0.76SS**  trans1480.9157.4-83.2-25.4000118.5
104H51.4Low54Low187 Ų187140.6 Ų140.687%0.86676%0.764SS**  trans-141.9108153.4-69.9-54.3000111.5G102G102-H104 PolarHBondContact O-N 2.8Å
105S46.7Very low54.5Low116 Ų116140.4 Ų140.481%0.81176%0.763SS**  trans-37.6136.9176.9-550000115.2G107S105-G107 PolarHBondContact O-N 3.09Å
106P48.2Very low55.1Low138 Ų138145.2 Ų145.290%0.89678%0.776SS**  trans-82.281.5-178.833.9-32.4000110.8
107G52.5Low55.5Low69 Ų69143.9 Ų143.971%0.71178%0.776SS**  trans-96.682.317900000113.7S105S105-G107 PolarHBondContact O-N 3.09Å
108Q52Low55.8Low202 Ų202141.7 Ų141.794%0.94477%0.77SS**SBendtrans5293.1146.9-64-177.5-39.800119.4
109G50.7Low56.4Low78 Ų78139.3 Ų139.380%0.80476%0.761SS**  trans-167.429.7163.100000114L111G109-L111 PolarHBondContact O-N 3.22Å
110S55.1Low56.9Low100 Ų100137.8 Ų137.870%0.69975%0.754SS**  trans-82.9104.5178.3-172.70000109.6R112S110-R112 PolarHBondContact O-N 3.05Å; S110-R112 VanDerWaalsContact OG-CG 3.27Å; S110-R112 WeakPolarHBondContact OG-CG 3.48Å
111L63.3Low57.5Low145 Ų145134 Ų13476%0.75974%0.739SS**  trans-6681.5164.3-100.6159.3000108.5G109 F113G109-L111 PolarHBondContact O-N 3.22Å; L111-F113 HydrophobicContact CB-CE2 4.27Å; L111-F113 HydrophobicContact CD2-CE2 4.43Å; L111-F113 HydrophobicContact CD2-CZ 4.16Å; L111-F113 PolarHBondContact O-N 3.42Å; L111-F113 VanDerWaalsContact O-N 3.11Å
112R65Low58.3Low172 Ų172136.4 Ų136.465%0.64974%0.738SS**  trans-79.392.2175-61.7-175.470.6-1716.6108.4S110 R114S110-R112 PolarHBondContact O-N 3.05Å; S110-R112 VanDerWaalsContact OG-CG 3.27Å; S110-R112 WeakPolarHBondContact OG-CG 3.48Å; R112-R114 PolarHBondContact O-N 3.21Å
113F66.2Low59.2Low142 Ų142134.7 Ų134.762%0.62372%0.72SS**  trans-64105.6164.8-66.3-80.3000108.4L111 H115L111-F113 HydrophobicContact CB-CE2 4.27Å; L111-F113 HydrophobicContact CD2-CE2 4.43Å; L111-F113 HydrophobicContact CD2-CZ 4.16Å; L111-F113 PolarHBondContact O-N 3.42Å; L111-F113 VanDerWaalsContact O-N 3.11Å; F113-H115 VanDerWaalsContact C-N 3.27Å; F113-H115 VanDerWaalsContact CB-CE1 3.47Å; F113-H115 WeakPolarHBondContact CB-CE1 3.4Å; F113-H115 VanDerWaalsContact CB-NE2 3.3Å; F113-H115 WeakPolarHBondContact CB-NE2 3.24Å; F113-H115 PolarHBondContact O-CD2 2.91Å; F113-H115 PolarHBondContact O-N 2.93Å; F113-H115 PolarHBondContact O-NE2 3.1Å
114R66.5Low60.4Low198 Ų198137 Ų13775%0.74773%0.726SS**  trans-77.284.7167.5-72.4-76.3-173.3170.32.7107.2R112 K116R112-R114 PolarHBondContact O-N 3.21Å; R114-K116 PolarHBondContact O-N 3.4Å
115H67.1Low60.8Low159 Ų159135.1 Ų135.174%0.73672%0.722SS**  trans-68.7114.7167.6-42.7-90.9000107.4F113F113-H115 VanDerWaalsContact C-N 3.27Å; F113-H115 VanDerWaalsContact CB-CE1 3.47Å; F113-H115 WeakPolarHBondContact CB-CE1 3.4Å; F113-H115 VanDerWaalsContact CB-NE2 3.3Å; F113-H115 WeakPolarHBondContact CB-NE2 3.24Å; F113-H115 PolarHBondContact O-CD2 2.91Å; F113-H115 PolarHBondContact O-N 2.93Å; F113-H115 PolarHBondContact O-NE2 3.1Å
116K70Confident61.3Low193 Ų193131.8 Ų131.884%0.83971%0.707SS**PPolyproline II helixtrans-80.6125.4164.3-76.1-178.2178.2178.60106.9R114R114-K116 PolarHBondContact O-N 3.4Å
117P65.4Low61.6Low111 Ų111131 Ų13172%0.72169%0.694SS**PPolyproline II helixtrans-58.6143.917124.9-31.8000109.2M119P117-M119 PolarHBondContact O-N 2.87Å; P117-M119 VanDerWaalsContact O-N 3.13Å
118P63.4Low61.9Low105 Ų105132 Ų13268%0.68268%0.68SS**PPolyproline II helixtrans-53.7122175.1-2130.4000109.4V130P118-V130 HydrophobicContact CB-CG1 4.2Å
119M66.5Low62.1Low137 Ų137128.5 Ų128.568%0.67567%0.665SS**  trans-86.3113.5175.4-179.1164.564.100108P117 L121P117-M119 PolarHBondContact O-N 2.87Å; P117-M119 VanDerWaalsContact O-N 3.13Å; M119-L121 HydrophobicContact CE-CD1 4.45Å; M119-L121 HydrophobicContact CE-CD2 4.2Å; M119-L121 HydrophobicContact CE-CG 4.45Å; M119-L121 HydrophobicContact CG-CD2 4.09Å; M119-L121 HydrophobicContact CG-CG 4.38Å; M119-L121 PolarHBondContact O-N 2.88Å; M119-L121 HydrophobicContact SD-CD2 4.25Å
120E64Low62.4Low138 Ų138127.2 Ų127.265%0.64564%0.641SS**  trans-76.3112.2171.4-65.5-177.5-161.300109.2H128E120-H128 IonicContact OE2-CE1 3.65Å; E120-H128 IonicContact OE2-ND1 3.8Å
121L62.6Low62.4Low96 Ų96131.8 Ų131.850%0.50365%0.651SS.*EExtended strand (participates in β ladder)trans-96.5114.5168.5-65.1179.3000108.7M119 G123M119-L121 HydrophobicContact CE-CD1 4.45Å; M119-L121 HydrophobicContact CE-CD2 4.2Å; M119-L121 HydrophobicContact CE-CG 4.45Å; M119-L121 HydrophobicContact CG-CD2 4.09Å; M119-L121 HydrophobicContact CG-CG 4.38Å; M119-L121 PolarHBondContact O-N 2.88Å; M119-L121 HydrophobicContact SD-CD2 4.25Å; L121-G123 PolarHBondContact O-N 3.25Å
122K62.7Low61.8Low157 Ų157128 Ų12868%0.68365%0.647SS**EExtended strand (participates in β ladder)trans-72.9103.3173.4-169.284.3177.7-179.30108.8
123G62.3Low61.1Low29 Ų29124.5 Ų124.530%0.29965%0.649SS.*  trans-68.7152.316900000111.6L121 D125 G126L121-G123 PolarHBondContact O-N 3.25Å; G123-D125 PolarHBondContact O-N 3.14Å; G123-D125 VanDerWaalsContact O-N 3.13Å; G123-G126 PolarHBondContact O-N 3.17Å
124Q66.6Low60.2Low205 Ų205125.3 Ų125.396%0.95867%0.666SS**THydrogen-bonded Turntrans-61.8-17.6-179.1-76.5175.1-21.700113.8
125D59.5Low59.5Low147 Ų147118 Ų11879%0.78665%0.652SS**THydrogen-bonded Turntrans-105.618.6-179.2-66.4-33.7000114G123 I127G123-D125 PolarHBondContact O-N 3.14Å; G123-D125 VanDerWaalsContact O-N 3.13Å; D125-I127 PolarHBondContact O-N 3.43Å; D125-I127 VanDerWaalsContact O-N 3.13Å
126G57.8Low58.7Low47 Ų47116.9 Ų116.949%0.48566%0.657SS.*SBendtrans75.1-3.1177.500000115.3G123 H128G123-G126 PolarHBondContact O-N 3.17Å; G126-H128 PolarHBondContact O-N 3.46Å
127I54.9Low58.1Low122 Ų122114.1 Ų114.163%0.62665%0.65SS**  trans-80.1114.4176.6-48.5177.2000109.2D125 M129D125-I127 PolarHBondContact O-N 3.43Å; D125-I127 VanDerWaalsContact O-N 3.13Å; I127-M129 PolarHBondContact O-N 3.04Å
128H58.8Low57.6Low89 Ų89116.3 Ų116.341%0.41266%0.655SS.*EExtended strand (participates in β ladder)trans-74.8112.6173.8-82.5-106.9000109.7E120 G126E120-H128 IonicContact OE2-CE1 3.65Å; E120-H128 IonicContact OE2-ND1 3.8Å; G126-H128 PolarHBondContact O-N 3.46Å
129M55.4Low57.1Low128 Ų128114 Ų11463%0.63165%0.645SS**EExtended strand (participates in β ladder)trans-92.6107.4167.5-74.1-169.4-5400109.4I127I127-M129 PolarHBondContact O-N 3.04Å
130V56.7Low56.8Low52 Ų52114.8 Ų114.832%0.31566%0.658SS.*  trans-98.992.6166.3-179.40000107.6P118 G132 L137P118-V130 HydrophobicContact CB-CG1 4.2Å; V130-G132 PolarHBondContact O-N 3.11Å; V130-G132 VanDerWaalsContact O-N 3.08Å; V130-L137 HydrophobicContact CB-CD1 4.03Å; V130-L137 HydrophobicContact CG2-CD1 4.1Å
131H56.5Low56.8Low196 Ų196111.6 Ų111.691%0.90765%0.645SS**  trans-76.193.4174.6-178.1-82.4000109.3
132G50.4Low56.9Low64 Ų64112.5 Ų112.566%0.6665%0.65SS**SBendtrans146.155.3171.500000115.1V130V130-G132 PolarHBondContact O-N 3.11Å; V130-G132 VanDerWaalsContact O-N 3.08Å
133S49.2Very low57.2Low99 Ų99111 Ų11169%0.69265%0.649SS**  trans-165129.9151.9-1640000109.2G135S133-G135 PolarHBondContact O-N 3.35Å
134T48.6Very low57.6Low159 Ų159113.6 Ų113.698%0.97566%0.663SS**SBendtrans-68.983.4161.5-52.50000106.9
135G51.8Low57.5Low45 Ų45106.1 Ų106.146%0.46463%0.629SS.*SBendtrans-171.6113.3-178.500000109.6S133 L137S133-G135 PolarHBondContact O-N 3.35Å; G135-L137 PolarHBondContact O-N 3.33Å; G135-L137 VanDerWaalsContact O-N 3.08Å
136T50.4Low58.3Low136 Ų136102.7 Ų102.783%0.83462%0.615SS**  trans-52.1110.3178.442.60000110.6L138T136-L138 PolarHBondContact O-N 3.35Å
137L56.9Low59.3Low134 Ų134107.4 Ų107.470%0.70262%0.624SS**  trans-73.2111168.6-66.7176.1000107.5V130 G135 A139V130-L137 HydrophobicContact CB-CD1 4.03Å; V130-L137 HydrophobicContact CG2-CD1 4.1Å; G135-L137 PolarHBondContact O-N 3.33Å; G135-L137 VanDerWaalsContact O-N 3.08Å; L137-A139 PolarHBondContact O-N 2.96Å
138L55.1Low60.4Low157 Ų157107.9 Ų107.982%0.82263%0.628SS**  trans-63.4119.9171.7-63172.8000107.9T136 T140T136-L138 PolarHBondContact O-N 3.35Å; L138-T140 PolarHBondContact O-N 3.47Å
139A52.9Low60.9Low56 Ų56107.7 Ų107.746%0.46363%0.63SS.*  trans-59.5125.6168.600000108L137 D141L137-A139 PolarHBondContact O-N 2.96Å; A139-D141 PolarHBondContact O-N 3.06Å
140T59.2Low61.7Low155 Ų155104.8 Ų104.895%0.95162%0.615SS**SBendtrans-69.12.8-176.644.40000114.2L138L138-T140 PolarHBondContact O-N 3.47Å
141D64.5Low62.1Low71 Ų71107 Ų10738%0.3862%0.62SS.*  trans-131.9117.8177.1-177.811.2000109.5A139 N143 S144A139-D141 PolarHBondContact O-N 3.06Å; D141-N143 PolarHBondContact O-N 3.44Å; D141-N143 VanDerWaalsContact O-N 3.17Å; D141-N143 WeakPolarHBondContact OD1-CB 3.21Å; D141-N143 PolarHBondContact OD1-N 2.93Å; D141-N143 VanDerWaalsContact OD1-N 3.12Å; D141-N143 PolarHBondContact OD1-ND2 3.45Å; D141-S144 WeakPolarHBondContact O-CB 3.06Å; D141-S144 PolarHBondContact O-N 3.48Å
142L65.6Low62.4Low114 Ų11499.6 Ų99.660%0.59760%0.598SS**G310 helixtrans-60.1-23.8179.2-67.2167.4000112S144 L145 L153L142-S144 PolarHBondContact O-N 3.05Å; L142-L145 HydrophobicContact CD2-CD1 4.35Å; L142-L145 PolarHBondContact O-N 2.96Å; L142-L153 HydrophobicContact CD2-CD1 3.74Å
143N68.8Low62.7Low127 Ų127100.5 Ų100.568%0.67959%0.587SS**G310 helixtrans-74.8-11.8177-57.2-65.1000113.5D141 L145D141-N143 PolarHBondContact O-N 3.44Å; D141-N143 VanDerWaalsContact O-N 3.17Å; D141-N143 WeakPolarHBondContact OD1-CB 3.21Å; D141-N143 PolarHBondContact OD1-N 2.93Å; D141-N143 VanDerWaalsContact OD1-N 3.12Å; D141-N143 PolarHBondContact OD1-ND2 3.45Å; N143-L145 VanDerWaalsContact C-N 3.35Å
144S69.7Low63Low83 Ų83101.1 Ų101.158%0.5858%0.582SS**G310 helixtrans-88-4.7178.4-62.70000113.2D141 L142D141-S144 WeakPolarHBondContact O-CB 3.06Å; D141-S144 PolarHBondContact O-N 3.48Å; L142-S144 PolarHBondContact O-N 3.05Å
145L64.8Low63.4Low47 Ų47102.4 Ų102.425%0.24657%0.569CS.*SBendtrans-85.4146.9178.5-71.6167000111L142 N143 D149 Q150 L153L142-L145 HydrophobicContact CD2-CD1 4.35Å; L142-L145 PolarHBondContact O-N 2.96Å; N143-L145 VanDerWaalsContact C-N 3.35Å; L145-D149 HydrophobicContact CB-CB 4.16Å; L145-D149 HydrophobicContact CD2-CB 4.36Å; L145-Q150 HydrophobicContact CB-CG 4Å; L145-Q150 PolarHBondContact O-NE2 2.9Å; L145-L153 HydrophobicContact CD1-CD1 3.47Å; L145-L153 VanDerWaalsContact CD1-CD1 3.47Å
146P76.8Confident63.6Low76 Ų76104.2 Ų104.249%0.49458%0.575SS.*  trans-51147.7167.3-23.732.6000111.7D148 D149 Q150P146-D148 PolarHBondContact O-N 3.49Å; P146-D149 WeakPolarHBondContact CD-OD2 3.38Å; P146-D149 WeakPolarHBondContact CG-OD2 3.5Å; P146-D149 PolarHBondContact O-N 2.91Å; P146-Q150 PolarHBondContact O-N 2.78Å
147E78.3Confident63.7Low146 Ų146103.2 Ų103.268%0.68256%0.564SS**Hα-helixtrans-55-28-177.9-72.5-177.5134.300113.4K151E147-K151 VanDerWaalsContact O-CE 3.27Å; E147-K151 WeakPolarHBondContact O-CE 3.49Å; E147-K151 WeakPolarHBondContact O-CG 3.35Å; E147-K151 PolarHBondContact O-NZ 3.19Å
148D78Confident63.4Low131 Ų131104.1 Ų104.170%0.70157%0.565SS**Hα-helixtrans-72-34.1177.2-72.1-27.5000113P146P146-D148 PolarHBondContact O-N 3.49Å
149D70.1Confident63.1Low85 Ų85102.3 Ų102.346%0.45556%0.56SS.*Hα-helixtrans-82.6-29.4-177.4-67.8-31.2000111.9L145 P146 K151 G152 L153L145-D149 HydrophobicContact CB-CB 4.16Å; L145-D149 HydrophobicContact CD2-CB 4.36Å; P146-D149 WeakPolarHBondContact CD-OD2 3.38Å; P146-D149 WeakPolarHBondContact CG-OD2 3.5Å; P146-D149 PolarHBondContact O-N 2.91Å; D149-K151 VanDerWaalsContact C-N 3.35Å; D149-K151 PolarHBondContact O-N 3.36Å; D149-G152 PolarHBondContact O-N 3.3Å; D149-G152 VanDerWaalsContact O-N 3.13Å; D149-L153 PolarHBondContact O-N 3.25Å
150Q70.7Confident62.7Low67 Ų67105.7 Ų105.731%0.31357%0.57SS.*Hα-helixtrans-60.2-44.7172.6-65178.423.800111.2L145 P146 G152 L153 D154L145-Q150 HydrophobicContact CB-CG 4Å; L145-Q150 PolarHBondContact O-NE2 2.9Å; P146-Q150 PolarHBondContact O-N 2.78Å; Q150-G152 PolarHBondContact O-N 3.19Å; Q150-L153 PolarHBondContact O-N 3.45Å; Q150-D154 PolarHBondContact O-N 3.4Å
151K66.1Low62.2Low98 Ų98103.3 Ų103.343%0.42656%0.555SS.*Hα-helixtrans-70.4-14.5178.4-17.5-166-167.4-57.60112.3E147 D149 R155E147-K151 VanDerWaalsContact O-CE 3.27Å; E147-K151 WeakPolarHBondContact O-CE 3.49Å; E147-K151 WeakPolarHBondContact O-CG 3.35Å; E147-K151 PolarHBondContact O-NZ 3.19Å; D149-K151 VanDerWaalsContact C-N 3.35Å; D149-K151 PolarHBondContact O-N 3.36Å; K151-R155 VanDerWaalsContact O-CG 3.26Å; K151-R155 WeakPolarHBondContact O-CG 3.36Å; K151-R155 PolarHBondContact O-NE 3.31Å; K151-R155 PolarHBondContact O-NH2 3.33Å
152G62Low61.3Low42 Ų42104.4 Ų104.443%0.43357%0.574SS.*Hα-helixtrans-80-2917600000113D149 Q150D149-G152 PolarHBondContact O-N 3.3Å; D149-G152 VanDerWaalsContact O-N 3.13Å; Q150-G152 PolarHBondContact O-N 3.19Å
153L58.1Low60.3Low83 Ų83103 Ų10344%0.43557%0.574SS.*Hα-helixtrans-86.7-33.6-178.2-74.3166.2000113.1L142 L145 D149 Q150 R155 S156 L157L142-L153 HydrophobicContact CD2-CD1 3.74Å; L145-L153 HydrophobicContact CD1-CD1 3.47Å; L145-L153 VanDerWaalsContact CD1-CD1 3.47Å; D149-L153 PolarHBondContact O-N 3.25Å; Q150-L153 PolarHBondContact O-N 3.45Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3Å; L153-S156 PolarHBondContact O-N 2.87Å; L153-L157 PolarHBondContact O-N 3Å
154D54.3Low59.3Low112 Ų112105.3 Ų105.360%0.59958%0.581SS**Hα-helixtrans-58.9-37.9179.4-76.3-21.6000112.7Q150 S156Q150-D154 PolarHBondContact O-N 3.4Å; D154-S156 PolarHBondContact O-N 2.91Å
155R56.6Low58.3Low185 Ų185106 Ų10670%0.69859%0.591SS**Hα-helixtrans-74.2-18.7178.4-18-176.8-168.8-121.1-1.8112.7K151 L153K151-R155 VanDerWaalsContact O-CG 3.26Å; K151-R155 WeakPolarHBondContact O-CG 3.36Å; K151-R155 PolarHBondContact O-NE 3.31Å; K151-R155 PolarHBondContact O-NH2 3.33Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3Å
156S56.7Low57.4Low84 Ų84110.1 Ų110.159%0.58762%0.618SS**Hα-helixtrans-95-9.1-172.5-145.50000112.8L153 D154L153-S156 PolarHBondContact O-N 2.87Å; D154-S156 PolarHBondContact O-N 2.91Å
157L53.3Low56.1Low114 Ų114110.1 Ų110.160%0.59763%0.625SS**Hα-helixtrans-102.7-21.3-175.9-155.578.9000113.9L153 T159 L160L153-L157 PolarHBondContact O-N 3Å; L157-T159 PolarHBondContact O-N 3.35Å; L157-L160 PolarHBondContact O-N 3.18Å
158E50Low54.9Low154 Ų154113.5 Ų113.572%0.7264%0.638SS**THydrogen-bonded Turntrans-74.2-7.3-173.5-66.8179.7169.800114.7
159T47.7Very low53.7Low118 Ų118114.8 Ų114.872%0.72464%0.64SS**THydrogen-bonded Turntrans-96.2-9.6177.5-34.30000113.4L157L157-T159 PolarHBondContact O-N 3.35Å
160L45.8Very low53Low128 Ų128121.2 Ų121.267%0.6766%0.657SS**THydrogen-bonded Turntrans-100.1-14.6-173.9-64.6176.6000114.2L157L157-L160 PolarHBondContact O-N 3.18Å
161T48.7Very low51.9Low104 Ų104126.6 Ų126.664%0.63869%0.688SS**SBendtrans-104.6-7.4-170.153.60000115.1
162A44.2Very low51.2Low94 Ų94125.5 Ų125.578%0.77770%0.698SS**SBendtrans-97.3-0.8-179.700000114.7
163S45.2Very low51Low86 Ų86135.1 Ų135.160%0.60172%0.721SS**SBendtrans-111.85.9-170.4-178.70000114.6
164E48.9Very low50.9Low175 Ų175138 Ų13882%0.81874%0.743SS**SBendtrans-98.9-5.3-167.2-146.7172.2-174.500114.4
165A46.9Very low51.1Low97 Ų97141.9 Ų141.980%0.80276%0.757SS**SBendtrans-104.3-6-169.700000116.6
166T47.5Very low51.1Low133 Ų133138.7 Ų138.782%0.81676%0.763SS**SBendtrans-139.17.1-171.256.20000116.3
167A49.1Very low51.3Low76 Ų76139.5 Ų139.563%0.62878%0.775SS**  trans-109.526.3-167.500000115.7E169A167-E169 PolarHBondContact O-N 3.26Å
168F52.9Low51.6Low217 Ų217143.8 Ų143.895%0.95279%0.788SS**SBendtrans-78.47.7-177.7-118.1-85.8000115.6
169E52.5Low52.1Low159 Ų159141.7 Ų141.774%0.74379%0.791SS**SBendtrans-153.189-169.9-168.9169.2-157.900109.8A167A167-E169 PolarHBondContact O-N 3.26Å
170R55.8Low52.4Low219 Ų219142.6 Ų142.683%0.82680%0.796SS**  trans170.139.7160.2-93.3162-156.496.3-8.7114.6A172R170-A172 PolarHBondContact O-N 2.92Å
171N47.6Very low53Low180 Ų180142.4 Ų142.496%0.96380%0.803SS**  trans-73.165.7172.2-72.4-24.5000112.1
172A51Low53.4Low76 Ų76145 Ų14563%0.62881%0.812SS**  trans-167.678.7169.800000110.3R170R170-A172 PolarHBondContact O-N 2.92Å
173R59Low54.1Low243 Ų243147.6 Ų147.692%0.91781%0.808SS**  trans-179.5111.9156.4-99145.8-176.1132.90.1110.4E175R173-E175 PolarHBondContact O-N 3.45Å
174T56.1Low54.6Low145 Ų145151.8 Ų151.889%0.8982%0.815SS**  trans-74.8113.8165.449.90000108.5
175E58.5Low54.4Low193 Ų193150.4 Ų150.490%0.90281%0.812SS**  trans-85.2119168.762.3-175.1176.100109.6R173R173-E175 PolarHBondContact O-N 3.45Å
176S54.9Low54.4Low118 Ų118156.4 Ų156.483%0.82581%0.814SS**  trans-82.5116.7177.5-165.70000108.3K178S176-K178 PolarHBondContact O-N 3.3Å; S176-K178 VanDerWaalsContact O-N 3.14Å
177A62.5Low54.7Low101 Ų101157.1 Ų157.184%0.83581%0.813SS**  trans-74.7101.1174.700000109.7
178K59Low54.6Low203 Ų203159.9 Ų159.988%0.88382%0.822SS**  trans-71.7119.6158.4-90.4175169.7169.70108.5S176S176-K178 PolarHBondContact O-N 3.3Å; S176-K178 VanDerWaalsContact O-N 3.14Å
179S60.4Low54.8Low110 Ų110156.4 Ų156.477%0.76981%0.812SS**  trans-114.1107.3160.265.50000109.7P181S179-P181 WeakPolarHBondContact O-CD 3.37Å
180T54.4Low54.7Low137 Ų137157 Ų15784%0.8482%0.817SS**  trans-78.2120.5167.3140000109.4L182T180-L182 PolarHBondContact O-N 3.2Å
181P57.6Low54.8Low125 Ų125154.9 Ų154.981%0.81282%0.816SS**  trans-81.1112.9170.4-6.624.9000109.5S179 H183S179-P181 WeakPolarHBondContact O-CD 3.37Å; P181-H183 PolarHBondContact O-N 3.32Å
182L57.5Low54.9Low157 Ų157151.2 Ų151.282%0.82281%0.805SS**  trans-76.994.2171.3-174.871.3000109.1T180T180-L182 PolarHBondContact O-N 3.2Å
183H58.8Low55.5Low150 Ų150153.2 Ų153.269%0.69481%0.811SS**  trans-80.1117.4171.4172.860.3000110.4P181P181-H183 PolarHBondContact O-N 3.32Å
184K56Low55.6Low174 Ų174149.5 Ų149.576%0.75781%0.809SS**  trans-81.3119.9165-71.1-80.4-173.8174.20108.2
185L45.1Very low56Low145 Ų145151.7 Ų151.776%0.75981%0.809SS**  trans-35.2132.5168.5-67.2159.1000113.7
186R45.6Very low56.4Low223 Ų223149.8 Ų149.884%0.84280%0.803SS**  trans146.4101.8145.1-79155-159.8-178.94.7107.9
187D54.8Low56.6Low149 Ų149150.5 Ų150.580%0.79780%0.803SS**  -172.6121.5112.8-82.9-22.5000109.2I189D187-I189 PolarHBondContact O-N 3.34Å
188V46.3Very low57.2Low133 Ų133154.1 Ų154.181%0.80680%0.802SS**  trans-67104.2173.3171.80000106.6M190V188-M190 HydrophobicContact CG1-CG 4.09Å
189I58.2Low57.1Low144 Ų144156.4 Ų156.474%0.73882%0.823SS**  trans-101.994.4162.9-56.9-180000106.2D187 E191D187-I189 PolarHBondContact O-N 3.34Å; I189-E191 HydrophobicContact CG2-CB 4.35Å; I189-E191 PolarHBondContact O-N 3.44Å
190M50.7Low56.9Low173 Ų173158.7 Ų158.785%0.85283%0.826SS**  trans-67.1107.1159.9-80177.83300107.6V188V188-M190 HydrophobicContact CG1-CG 4.09Å
191E57.5Low57.1Low174 Ų174159.8 Ų159.881%0.81383%0.825SS**  trans-131122164.8-161.7172.2-171.400108.8I189I189-E191 HydrophobicContact CG2-CB 4.35Å; I189-E191 PolarHBondContact O-N 3.44Å
192S49Very low57Low103 Ų103161.8 Ų161.872%0.7283%0.825SS**PPolyproline II helixtrans-65138.9-172.6-1690000111.4L194S192-L194 PolarHBondContact O-N 2.92Å
193P62.9Low57Low117 Ų117162.1 Ų162.176%0.7683%0.826SS**PPolyproline II helixtrans-69.2129166-6.322.1000109.1
194L61Low56.9Low166 Ų166162.8 Ų162.887%0.86983%0.834SS**PPolyproline II helixtrans-78119.7168.3-76.2160.7000108.6S192S192-L194 PolarHBondContact O-N 2.92Å
195E64.7Low56.9Low191 Ų191162.1 Ų162.189%0.89384%0.839SS**PPolyproline II helixtrans-71.7127.6167.2-70.6174.9161.200109.3
196I67.2Low57.8Low152 Ų152163.3 Ų163.378%0.77985%0.845SS**  trans-113.9116.6168.2-20.1173000106.6
197T60.3Low58.7Low133 Ų133158.7 Ų158.782%0.81685%0.845SS**  trans-91.5125.7171.1-52.50000108.1
198E73.8Confident59Low177 Ų177159.5 Ų159.583%0.82785%0.849SS**  trans-98.5148.9172-61.8-135.5159.200111.5
199L57Low60.2Low251 Ų251161.9 Ų161.9100%1.31485%0.853SS**  trans-82.80-178.3-86.1164.3000112.8

Retrieved 199 of 199 residues in 115.2 ms (Link to these results)

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