A0A087WNP6_MOUSE Loading...

Carnitine deficiency-associated gene expressed in ventricle 3

AlphaFold DB , UniProt , Accession A0A087WNP6, Species MOUSE (Mus musculus, Mouse), Gene Cdv3, Length 235 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
1M36.8Very low61.5Low235 Ų235146.9 Ų146.9100%1.15875%0.75SS**  0160.30-56.6179.9-165.300107.5
2A50.9Low63.1Low98 Ų98145.3 Ų145.381%0.8173%0.734SS**  trans-9497174.300000108.7T4A2-T4 PolarHBondContact O-N 3.39Å; A2-T4 VanDerWaalsContact O-N 3.11Å
3E54Low64.3Low185 Ų185142.5 Ų142.586%0.86472%0.715SS**  trans-65.6108.9173.9-73164.6-15400108.6E5E3-E5 PolarHBondContact O-N 3.32Å
4T51.8Low65.5Low118 Ų118135.3 Ų135.372%0.72469%0.688SS**  trans-71.597.4171.447.40000107.8A2 E6A2-T4 PolarHBondContact O-N 3.39Å; A2-T4 VanDerWaalsContact O-N 3.11Å; T4-E6 VanDerWaalsContact C-N 3.32Å; T4-E6 WeakPolarHBondContact O-CG 3.26Å; T4-E6 PolarHBondContact O-N 3.34Å
5E61.8Low66Low174 Ų174137.3 Ų137.381%0.81369%0.69SS**  trans-53.496.3174-172.2-174.5-16900109.1E3 R7E3-E5 PolarHBondContact O-N 3.32Å; E5-R7 PolarHBondContact O-N 2.68Å
6E57.7Low66.6Low167 Ų167137.4 Ų137.478%0.7868%0.68SS**  trans-62.1141.1-176.7-62.9-157149.100108.7T4 S8T4-E6 VanDerWaalsContact C-N 3.32Å; T4-E6 WeakPolarHBondContact O-CG 3.26Å; T4-E6 PolarHBondContact O-N 3.34Å; E6-S8 PolarHBondContact O-N 2.9Å
7R68.4Low67.1Low242 Ų242133.7 Ų133.791%0.91366%0.663SS**  trans-72.177.5-166.9-67.4178.3172.8107.1-1.7110.7E5E5-R7 PolarHBondContact O-N 2.68Å
8S74Confident67.5Low50 Ų50132 Ų13235%0.3565%0.651SS.*  trans-48.3141.1-168.9169.60000111.8E6 D10 N11 F12E6-S8 PolarHBondContact O-N 2.9Å; S8-D10 PolarHBondContact O-N 3.2Å; S8-D10 VanDerWaalsContact O-N 3.1Å; S8-D10 PolarHBondContact OG-N 2.75Å; S8-D10 VanDerWaalsContact OG-N 3.08Å; S8-D10 PolarHBondContact OG-OD2 2.92Å; S8-N11 WeakPolarHBondContact O-CA 3.42Å; S8-N11 WeakPolarHBondContact O-CB 3.26Å; S8-N11 PolarHBondContact O-N 2.67Å; S8-F12 PolarHBondContact O-N 3.35Å
9L66.3Low67.9Low125 Ų125129.7 Ų129.765%0.65464%0.637SS**Hα-helixtrans-57-24.2173.7-67.5172.9000111.7N11 F12 F13L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 2.89Å; L9-F12 CarbonylContact O-C 3.47Å; L9-F12 WeakPolarHBondContact O-CA 3.33Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.85Å; L9-F13 HydrophobicContact CB-CD2 4.31Å; L9-F13 HydrophobicContact CB-CE2 4.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 2.9Å
10D73.9Confident68.1Low119 Ų119129.6 Ų129.664%0.63663%0.633SS**Hα-helixtrans-64.7-30.8172-65.1-51000112.9S8 F12 A14S8-D10 PolarHBondContact O-N 3.2Å; S8-D10 VanDerWaalsContact O-N 3.1Å; S8-D10 PolarHBondContact OG-N 2.75Å; S8-D10 VanDerWaalsContact OG-N 3.08Å; S8-D10 PolarHBondContact OG-OD2 2.92Å; D10-F12 VanDerWaalsContact C-N 3.35Å; D10-A14 WeakPolarHBondContact O-CA 3.48Å; D10-A14 WeakPolarHBondContact O-CB 3.47Å; D10-A14 PolarHBondContact O-N 2.91Å
11N81.3Confident68.2Low103 Ų103129.2 Ų129.255%0.55163%0.628SS**Hα-helixtrans-70.9-31.2169.8-87.2-55.8000111.8S8 L9 K15S8-N11 WeakPolarHBondContact O-CA 3.42Å; S8-N11 WeakPolarHBondContact O-CB 3.26Å; S8-N11 PolarHBondContact O-N 2.67Å; L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 2.89Å; N11-K15 WeakPolarHBondContact O-CB 3.42Å; N11-K15 PolarHBondContact O-N 2.96Å
12F80.3Confident70Confident127 Ų127125.6 Ų125.656%0.55761%0.606SS**Hα-helixtrans-71.4-47.4171.8-175.1-96.6000111.2S8 L9 D10 A14 K15 R16S8-F12 PolarHBondContact O-N 3.35Å; L9-F12 CarbonylContact O-C 3.47Å; L9-F12 WeakPolarHBondContact O-CA 3.33Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.85Å; D10-F12 VanDerWaalsContact C-N 3.35Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.07Å; F12-K15 PolarHBondContact O-N 3.13Å; F12-R16 HydrophobicContact CE1-CB 4.38Å; F12-R16 WeakPolarHBondContact O-CB 3.32Å; F12-R16 PolarHBondContact O-N 3.43Å
13F79Confident70.7Confident110 Ų110124.7 Ų124.748%0.48259%0.585SS.*Hα-helixtrans-62.5-39.4174.7-76.6-66.3000111.2L9 K15 R16 D17L9-F13 HydrophobicContact CB-CD2 4.31Å; L9-F13 HydrophobicContact CB-CE2 4.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 2.9Å; F13-K15 PolarHBondContact O-N 3.44Å; F13-R16 CarbonylContact O-C 3.17Å; F13-D17 WeakPolarHBondContact O-CA 3.39Å; F13-D17 WeakPolarHBondContact O-CB 3.26Å; F13-D17 PolarHBondContact O-N 3.17Å
14A80.4Confident71.4Confident41 Ų41125.2 Ų125.234%0.33958%0.579SS.*THydrogen-bonded Turntrans-69.9-9.5173.800000114.3D10 F12 D17 K18D10-A14 WeakPolarHBondContact O-CA 3.48Å; D10-A14 WeakPolarHBondContact O-CB 3.47Å; D10-A14 PolarHBondContact O-N 2.91Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.07Å; A14-D17 CarbonylContact O-C 3.52Å; A14-K18 WeakPolarHBondContact O-CD 3.5Å; A14-K18 PolarHBondContact O-NZ 2.63Å
15K73.6Confident71.8Confident165 Ų165123.5 Ų123.572%0.71757%0.572SS**THydrogen-bonded Turntrans-113.6-38-176.5-160.6169.9-171.91750113.2N11 F12 F13 D17 K18N11-K15 WeakPolarHBondContact O-CB 3.42Å; N11-K15 PolarHBondContact O-N 2.96Å; F12-K15 PolarHBondContact O-N 3.13Å; F13-K15 PolarHBondContact O-N 3.44Å; K15-D17 PolarHBondContact O-N 3.46Å; K15-K18 PolarHBondContact O-N 2.98Å
16R75.4Confident72Confident140 Ų140118.2 Ų118.253%0.52855%0.554SS.*THydrogen-bonded Turntrans-66.2-8.7150-157.2-169.176.2130.3-2.2111.3F12 F13 S76 G77F12-R16 HydrophobicContact CE1-CB 4.38Å; F12-R16 WeakPolarHBondContact O-CB 3.32Å; F12-R16 PolarHBondContact O-N 3.43Å; F13-R16 CarbonylContact O-C 3.17Å; R16-S76 CarbonylContact C-O 3.05Å; R16-S76 CarbonylContact O-C 3.53Å; R16-G77 WeakPolarHBondContact O-CA 3.43Å; R16-G77 PolarHBondContact O-N 3.49Å
17D75.1Confident72.1Confident74 Ų74119.9 Ų119.940%0.39655%0.553SS.*THydrogen-bonded Turntrans-10344.8157.7-160.349.6000111.6F13 A14 K15 S78F13-D17 WeakPolarHBondContact O-CA 3.39Å; F13-D17 WeakPolarHBondContact O-CB 3.26Å; F13-D17 PolarHBondContact O-N 3.17Å; A14-D17 CarbonylContact O-C 3.52Å; K15-D17 PolarHBondContact O-N 3.46Å; D17-S78 VanDerWaalsContact CG-N 3.26Å; D17-S78 WeakPolarHBondContact O-CA 3.25Å; D17-S78 PolarHBondContact O-N 3.28Å; D17-S78 PolarHBondContact O-OG 2.89Å; D17-S78 VanDerWaalsContact OD1-CB 3.28Å; D17-S78 WeakPolarHBondContact OD1-CB 3.42Å; D17-S78 PolarHBondContact OD1-N 3.24Å; D17-S78 WeakPolarHBondContact OD2-CB 3.15Å; D17-S78 PolarHBondContact OD2-OG 3.02Å
18K74.1Confident71.9Confident103 Ų103111.4 Ų111.445%0.44854%0.535SS..SBendtrans-135.97.5164.2-128.798-88.2136.40119.5A14 K15 G77 S78A14-K18 WeakPolarHBondContact O-CD 3.5Å; A14-K18 PolarHBondContact O-NZ 2.63Å; K15-K18 PolarHBondContact O-N 2.98Å; K18-G77 CarbonylContact C-O 3.57Å; K18-G77 VanDerWaalsContact N-C 3.25Å; K18-S78 CarbonylContact C-O 3.33Å; K18-S78 VanDerWaalsContact CA-O 3.26Å; K18-S78 WeakPolarHBondContact CA-O 3.49Å; K18-S78 WeakPolarHBondContact CE-OG 3.48Å; K18-S78 PolarHBondContact NZ-OG 3.25Å; K18-S78 VanDerWaalsContact O-O 3.09Å
19K75.4Confident71.2Confident89 Ų89112 Ų11239%0.38754%0.543SS..SBendtrans-124.6-23.3-178.5162.9-175.9175-169.70120.8K22 E23 S75 S76 G77K19-K22 CarbonylContact O-C 3.33Å; K19-K22 WeakPolarHBondContact O-CB 3.25Å; K19-E23 VanDerWaalsContact CE-OE1 3.31Å; K19-E23 WeakPolarHBondContact CE-OE1 3.46Å; K19-E23 HydrophobicContact CG-CG 4.34Å; K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 VanDerWaalsContact O-CG 3.3Å; K19-E23 WeakPolarHBondContact O-CG 3.31Å; K19-E23 PolarHBondContact O-N 3.31Å; K19-S75 WeakPolarHBondContact CD-O 3.22Å; K19-S75 WeakPolarHBondContact CE-O 3.35Å; K19-S75 PolarHBondContact NZ-OG 2.74Å; K19-S76 VanDerWaalsContact CB-O 3.32Å; K19-S76 WeakPolarHBondContact CB-O 3.35Å; K19-S76 PolarHBondContact N-O 3.47Å; K19-G77 CarbonylContact C-O 3.05Å; K19-G77 WeakPolarHBondContact CA-O 3.24Å; K19-G77 VanDerWaalsContact N-CA 3.31Å; K19-G77 PolarHBondContact N-O 2.77Å
20K72Confident70.8Confident127 Ų127111.8 Ų111.855%0.55254%0.542SS*.Hα-helixtrans-74.2-32174177.5-176.9177.1-176.80116.9K22 R24 G77K20-K22 VanDerWaalsContact C-N 3.34Å; K20-R24 WeakPolarHBondContact O-CA 3.35Å; K20-R24 WeakPolarHBondContact O-CB 3.09Å; K20-R24 PolarHBondContact O-N 3.42Å; K20-G77 CarbonylContact C-O 3.17Å; K20-G77 VanDerWaalsContact CA-O 3.24Å; K20-G77 WeakPolarHBondContact CA-O 2.93Å; K20-G77 VanDerWaalsContact N-C 3.35Å; K20-G77 PolarHBondContact N-O 3.47Å
21K70.3Confident70Confident121 Ų121110 Ų11053%0.52654%0.544SS..Hα-helixtrans-74.2-34.6168.4-174.1179.9-176.6177.90108.4S25 G77K21-S25 WeakPolarHBondContact O-CB 3.3Å; K21-S25 PolarHBondContact O-N 3Å; K21-G77 PolarHBondContact N-O 3.23Å
22K73.4Confident68.8Low160 Ų160109.3 Ų109.370%0.69655%0.552SS**Hα-helixtrans-62.7-50.3165.5-168.9172.8-178.8176.60111.4K19 K20 S25 S26K19-K22 CarbonylContact O-C 3.33Å; K19-K22 WeakPolarHBondContact O-CB 3.25Å; K20-K22 VanDerWaalsContact C-N 3.34Å; K22-S25 PolarHBondContact O-N 3.39Å; K22-S26 WeakPolarHBondContact O-CB 3.48Å; K22-S26 PolarHBondContact O-N 2.9Å; K22-S26 PolarHBondContact O-OG 3.05Å
23E65.4Low67.7Low79 Ų79107.3 Ų107.337%0.36955%0.554SS.*Hα-helixtrans-66.7-34.7176.8-75.5171.3164.100114K19 S26 R27K19-E23 VanDerWaalsContact CE-OE1 3.31Å; K19-E23 WeakPolarHBondContact CE-OE1 3.46Å; K19-E23 HydrophobicContact CG-CG 4.34Å; K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 VanDerWaalsContact O-CG 3.3Å; K19-E23 WeakPolarHBondContact O-CG 3.31Å; K19-E23 PolarHBondContact O-N 3.31Å; E23-S26 WeakPolarHBondContact CA-OG 3.41Å; E23-S26 PolarHBondContact O-OG 3.22Å; E23-R27 VanDerWaalsContact O-CB 3.25Å; E23-R27 WeakPolarHBondContact O-CB 3.08Å; E23-R27 PolarHBondContact O-N 2.93Å
24R69.3Low66.3Low196 Ų196105.3 Ų105.374%0.7457%0.565SS**Hα-helixtrans-73.6-34.7176.8-172.3175-176.11781.9110.8K20 A28K20-R24 WeakPolarHBondContact O-CA 3.35Å; K20-R24 WeakPolarHBondContact O-CB 3.09Å; K20-R24 PolarHBondContact O-N 3.42Å; R24-A28 WeakPolarHBondContact O-CB 3.32Å; R24-A28 PolarHBondContact O-N 3.11Å
25S61.2Low64.9Low81 Ų81107.9 Ų107.957%0.56659%0.586SS**Hα-helixtrans-66-48.1168.9-1760000111.2K21 K22 R27 A28 A29K21-S25 WeakPolarHBondContact O-CB 3.3Å; K21-S25 PolarHBondContact O-N 3Å; K22-S25 PolarHBondContact O-N 3.39Å; S25-R27 PolarHBondContact O-N 3.2Å; S25-A28 PolarHBondContact O-N 2.77Å; S25-A29 PolarHBondContact O-N 3.2Å
26S65.9Low63.1Low64 Ų64104.1 Ų104.145%0.44859%0.594SS.*Hα-helixtrans-70-32.9179.167.90000113K22 E23 A29 N30K22-S26 WeakPolarHBondContact O-CB 3.48Å; K22-S26 PolarHBondContact O-N 2.9Å; K22-S26 PolarHBondContact O-OG 3.05Å; E23-S26 WeakPolarHBondContact CA-OG 3.41Å; E23-S26 PolarHBondContact O-OG 3.22Å; S26-A29 PolarHBondContact O-N 2.9Å; S26-N30 VanDerWaalsContact O-CB 3.26Å; S26-N30 WeakPolarHBondContact O-CB 3.02Å; S26-N30 PolarHBondContact O-N 3.32Å
27R60.1Low61.2Low202 Ų202101.2 Ų101.276%0.76261%0.608SS**Hα-helixtrans-65.9-39.3169.1-95.2-178.2156.7151.2-6.7112.1E23 S25 N30 A31E23-R27 VanDerWaalsContact O-CB 3.25Å; E23-R27 WeakPolarHBondContact O-CB 3.08Å; E23-R27 PolarHBondContact O-N 2.93Å; S25-R27 PolarHBondContact O-N 3.2Å; R27-N30 PolarHBondContact O-N 3.48Å; R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.44Å; R27-A31 PolarHBondContact O-N 2.91Å
28A63.2Low60.1Low64 Ų64103.4 Ų103.453%0.52963%0.629SS.*Hα-helixtrans-63.6-42.9174.400000111.5R24 S25 A32R24-A28 WeakPolarHBondContact O-CB 3.32Å; R24-A28 PolarHBondContact O-N 3.11Å; S25-A28 PolarHBondContact O-N 2.77Å; A28-A32 PolarHBondContact O-N 3.41Å
29A58.9Low58.6Low63 Ų63104.1 Ų104.152%0.52165%0.647SS.*Hα-helixtrans-63.6-44.417400000112.4S25 S26 A32 S33S25-A29 PolarHBondContact O-N 3.2Å; S26-A29 PolarHBondContact O-N 2.9Å; A29-A32 WeakPolarHBondContact O-CB 3.33Å; A29-A32 PolarHBondContact O-N 3.29Å; A29-S33 PolarHBondContact O-N 2.86Å
30N57.6Low56.7Low120 Ų120104.5 Ų104.564%0.64267%0.667SS**Hα-helixtrans-71.3-31.9-177.6-148.4-97.5000112.6S26 R27 A32 S33S26-N30 VanDerWaalsContact O-CB 3.26Å; S26-N30 WeakPolarHBondContact O-CB 3.02Å; S26-N30 PolarHBondContact O-N 3.32Å; R27-N30 PolarHBondContact O-N 3.48Å; N30-A32 VanDerWaalsContact C-N 3.29Å; N30-A32 PolarHBondContact O-N 3.29Å; N30-S33 WeakPolarHBondContact CA-OG 3.26Å; N30-S33 PolarHBondContact O-N 3.21Å; N30-S33 PolarHBondContact O-OG 2.92Å
31A57.1Low55Low82 Ų82103.3 Ų103.368%0.67868%0.68SS**Hα-helixtrans-66.1-30.1171.700000112.7R27R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.44Å; R27-A31 PolarHBondContact O-N 2.91Å
32A57.3Low53.2Low87 Ų87102.5 Ų102.572%0.71970%0.696SS**Hα-helixtrans-75.6-23.9174.900000113.3A28 A29 N30A28-A32 PolarHBondContact O-N 3.41Å; A29-A32 WeakPolarHBondContact O-CB 3.33Å; A29-A32 PolarHBondContact O-N 3.29Å; N30-A32 VanDerWaalsContact C-N 3.29Å; N30-A32 PolarHBondContact O-N 3.29Å
33S56.2Low51.4Low85 Ų8598.4 Ų98.459%0.59470%0.7SS**THydrogen-bonded Turntrans-89.46179.254.30000115A29 N30A29-S33 PolarHBondContact O-N 2.86Å; N30-S33 WeakPolarHBondContact CA-OG 3.26Å; N30-S33 PolarHBondContact O-N 3.21Å; N30-S33 PolarHBondContact O-OG 2.92Å
34G50.1Low49.8Very low69 Ų69100.8 Ų100.871%0.71173%0.725SS**  trans-88.96.6-172.500000116.6
35A50.8Low48.3Very low95 Ų95103 Ų10379%0.78573%0.733SS**  trans-128.3113.8-169.400000113.1
36G35.9Very low47.8Very low85 Ų85104.4 Ų104.488%0.87674%0.741SS**  trans92.1145.5179.800000113.6
37G36.8Very low46.2Very low80 Ų80105 Ų10583%0.82576%0.757SS**  cis-176.1149.3-4.400000110.4
38S50Low45.4Very low120 Ų120102.9 Ų102.984%0.83976%0.761SS**  trans-92.5133.2-169.956.20000114.5
39S42.8Very low44.1Very low118 Ų118103.7 Ų103.783%0.82578%0.776SS**  trans-169.3136.3148.144.80000116.3
40A36.6Very low43.2Very low96 Ų96104.7 Ų104.779%0.79379%0.792SS**  trans61117.4133.400000124.7
41A35.7Very low42.4Very low102 Ų102104.9 Ų104.984%0.84380%0.803SS**  95165.7117.500000122.7
42A32.2Very low41.6Very low104 Ų104109.4 Ų109.486%0.8681%0.814SS**  trans72.785.6169.300000118.8
43G35.7Very low40.6Very low75 Ų75108.5 Ų108.577%0.77381%0.814SS**  trans-86.8-166.7179.400000118.4
44S31.4Very low39.7Very low128 Ų128110.7 Ų110.790%0.89583%0.829SS**  trans-162151.4162.5-80.60000110.2
45R39.5Very low39Very low242 Ų242111.6 Ų111.691%0.91384%0.838SS**  trans-168.3158.3-177.2-109.7-171.8168.3-158.9-3.9108.7
46P49Very low38.5Very low111 Ų111112 Ų11272%0.72184%0.842SS**  cis-119.7-165.9-43.838.7-23.9000109.8
47G33.3Very low38.7Very low77 Ų77119.7 Ų119.779%0.79484%0.844SS**  trans-156.6100.2170.800000111.5
48D42.3Very low38.8Very low158 Ų158121.6 Ų121.685%0.84585%0.845SS**  trans-83.2147.3-176.8-61.9-87.6000112.6
49G36.1Very low38.4Very low81 Ų81119.5 Ų119.584%0.83584%0.842SS**  trans-171.366.2-175.700000113.5
50G41.3Very low38.3Very low84 Ų84121.8 Ų121.887%0.86685%0.845SS**  trans-85.8152176.300000113.5
51S39.8Very low38.4Very low124 Ų124121.1 Ų121.187%0.86785%0.848SS**  trans-146.2152.3164.6-168.70000110.3
52L39.9Very low38.7Very low176 Ų176118.3 Ų118.392%0.92183%0.829SS**  trans-118.2150.2-166.1-66.2165.7000112
53G37.2Very low39.1Very low69 Ų69117.2 Ų117.271%0.71182%0.815SS**  trans165.882.5175.300000111.6
54S38Very low39.5Very low130 Ų130118.6 Ų118.691%0.90980%0.804SS**  73.8105.780.1-63.10000113.7
55G35.4Very low40.2Very low88 Ų88115.6 Ų115.691%0.90779%0.794SS**  trans164.375.7173.400000114.9
56A39.1Very low40.5Very low104 Ų104110.3 Ų110.386%0.8679%0.794SS**  trans-90.1144.4176.900000112.9
57R39.7Very low40.2Very low246 Ų246108.6 Ų108.693%0.92880%0.797SS**  trans-161.9141.4146.651175.4172.3-99.52.8110.8
58S40.3Very low40.7Very low120 Ų120109.2 Ų109.284%0.83979%0.789SS**  trans-73.5162.5-179.4-45.60000112.8
59G41Very low40.9Very low76 Ų76112.4 Ų112.478%0.78479%0.789SS**  trans-179.892.7174.300000111.5
60D41.7Very low41.4Very low166 Ų166114.3 Ų114.389%0.88879%0.79SS**  trans-76.7145.8-176.6-54.9-99.9000113.2
61G38.2Very low41.5Very low82 Ų82113.8 Ų113.885%0.84578%0.784SS**  trans143.3118.617300000113.3
62G40.7Very low42Very low44 Ų44116.1 Ų116.145%0.45479%0.787SS.*  trans-121.1-174.8-175.800000114.9E184 P185G62-E184 CarbonylContact C-O 3.08Å; G62-E184 VanDerWaalsContact CA-O 3.26Å; G62-E184 WeakPolarHBondContact CA-O 3.5Å; G62-E184 CarbonylContact O-C 3.34Å; G62-P185 CarbonylContact O-C 3.49Å
63S40.8Very low42.3Very low81 Ų81111.6 Ų111.657%0.56678%0.783SS**  trans-162.6148.5162.2-169.90000113.5E184 A186S63-E184 VanDerWaalsContact CA-C 3.42Å; S63-E184 PolarHBondContact N-O 2.54Å; S63-A186 PolarHBondContact OG-N 3.11Å
64L44.1Very low43.2Very low104 Ų104112.2 Ų112.255%0.54579%0.789SS.*  trans-64.1156.6171.1-95.2170.7000113.2P183 E184L64-P183 HydrophobicContact CD1-CB 4.46Å; L64-P183 HydrophobicContact CD2-CB 3.41Å; L64-P183 VanDerWaalsContact CD2-CB 3.41Å; L64-P183 HydrophobicContact CG-CB 3.68Å; L64-E184 HydrophobicContact CB-CG 4.37Å; L64-E184 HydrophobicContact CD1-CG 3.37Å; L64-E184 HydrophobicContact CG-CB 4.48Å; L64-E184 HydrophobicContact CG-CG 3.57Å
65G47.5Very low43.7Very low65 Ų65109 Ų10967%0.6777%0.767SS**  trans-143.3-32.1-173.300000122.8
66S45.4Very low44.9Very low130 Ų130106.4 Ų106.491%0.90974%0.735SS**  trans65154.9169.980.60000122.1
67G43Very low45.1Very low76 Ų76101.6 Ų101.678%0.78470%0.695SS**  trans91.2148.1162.700000115.7
68S43.7Very low45.5Very low90 Ų9091 Ų9163%0.62966%0.659SS**  cis-169.6-178.3661.50000108.1
69R46.8Very low45.6Very low224 Ų22487.2 Ų87.285%0.84564%0.638SS**  cis-157.4-178.48.652.2-161.463.1175.7-6111.6
70S45.3Very low45.7Very low122 Ų12287.9 Ų87.985%0.85364%0.637SS**  trans-59.5161.5-175.7-32.60000119.8
71G43.9Very low46Very low73 Ų7391.5 Ų91.575%0.75364%0.638SS**  112.9136.4112.300000119.9
72D50.7Low46.2Very low172 Ų17293.6 Ų93.692%0.9264%0.64SS**  trans-84.9165.9-178-49.8-103.2000115.6
73G45.4Very low46.5Very low81 Ų8194.7 Ų94.784%0.83565%0.651SS**  trans137.1118150.800000118
74G56.8Low46.5Very low82 Ų8298.8 Ų98.885%0.84567%0.667SS**  trans-95.4172.516900000114.1
75S47.2Very low46.1Very low63 Ų6397.9 Ų97.944%0.44168%0.683SS.*  trans-158.2168173.189.20000114.8K19K19-S75 WeakPolarHBondContact CD-O 3.22Å; K19-S75 WeakPolarHBondContact CE-O 3.35Å; K19-S75 PolarHBondContact NZ-OG 2.74Å
76S60.8Low45.6Very low34 Ų3498.8 Ų98.824%0.23869%0.692CS.*  trans-148.5-173-145.955.40000117.9R16 K19R16-S76 CarbonylContact C-O 3.05Å; R16-S76 CarbonylContact O-C 3.53Å; K19-S76 VanDerWaalsContact CB-O 3.32Å; K19-S76 WeakPolarHBondContact CB-O 3.35Å; K19-S76 PolarHBondContact N-O 3.47Å
77G43.9Very low45.5Very low3 Ų398.1 Ų98.13%0.03169%0.687CS.*  trans114.9174.5174.100000126.9R16 K18 K19 K20 K21R16-G77 WeakPolarHBondContact O-CA 3.43Å; R16-G77 PolarHBondContact O-N 3.49Å; K18-G77 CarbonylContact C-O 3.57Å; K18-G77 VanDerWaalsContact N-C 3.25Å; K19-G77 CarbonylContact C-O 3.05Å; K19-G77 WeakPolarHBondContact CA-O 3.24Å; K19-G77 VanDerWaalsContact N-CA 3.31Å; K19-G77 PolarHBondContact N-O 2.77Å; K20-G77 CarbonylContact C-O 3.17Å; K20-G77 VanDerWaalsContact CA-O 3.24Å; K20-G77 WeakPolarHBondContact CA-O 2.93Å; K20-G77 VanDerWaalsContact N-C 3.35Å; K20-G77 PolarHBondContact N-O 3.47Å; K21-G77 PolarHBondContact N-O 3.23Å
78S48.3Very low45.5Very low24 Ų2498.8 Ų98.817%0.16868%0.68CS.*  trans-63.9-148.4-176.679.70000119D17 K18D17-S78 VanDerWaalsContact CG-N 3.26Å; D17-S78 WeakPolarHBondContact O-CA 3.25Å; D17-S78 PolarHBondContact O-N 3.28Å; D17-S78 PolarHBondContact O-OG 2.89Å; D17-S78 VanDerWaalsContact OD1-CB 3.28Å; D17-S78 WeakPolarHBondContact OD1-CB 3.42Å; D17-S78 PolarHBondContact OD1-N 3.24Å; D17-S78 WeakPolarHBondContact OD2-CB 3.15Å; D17-S78 PolarHBondContact OD2-OG 3.02Å; K18-S78 CarbonylContact C-O 3.33Å; K18-S78 VanDerWaalsContact CA-O 3.26Å; K18-S78 WeakPolarHBondContact CA-O 3.49Å; K18-S78 WeakPolarHBondContact CE-OG 3.48Å; K18-S78 PolarHBondContact NZ-OG 3.25Å; K18-S78 VanDerWaalsContact O-O 3.09Å
79G43.1Very low45.6Very low39 Ų39105.8 Ų105.840%0.40269%0.693SS.*  cis-170.2169.1400000114
80A41.8Very low45.5Very low91 Ų91101.5 Ų101.575%0.75270%0.697SS**  trans-155.6160.1174.400000109.5
81R48.8Very low45.3Very low241 Ų24198.9 Ų98.991%0.90969%0.69SS**  trans-145146-168.759.9-172.5168.8-169.9-3.9110.7
82S42.8Very low45.3Very low126 Ų126103.8 Ų103.888%0.88170%0.699SS**  trans-148.6159.9162.2-63.20000107.6
83G46Very low44.7Very low68 Ų6898.8 Ų98.870%0.70169%0.688SS**  trans-173.2142.7175.900000110.7
84D40.7Very low44.7Very low166 Ų16699 Ų9989%0.88869%0.689SS**  trans-139157.4-173.1-68.4-82.1000109.7
85G37.3Very low44Very low86 Ų86101.3 Ų101.389%0.88769%0.693SS**  trans-80.8172.5-161.300000117.3
86G36.1Very low44Very low84 Ų84103.4 Ų103.487%0.86671%0.714SS**  trans-166.2138.4171.700000110.5
87S44Very low43Very low115 Ų115104.5 Ų104.580%0.80473%0.731SS**  trans-123154.6-168.9-175.20000113.7
88S42.4Very low43.2Very low91 Ų91111 Ų11164%0.63677%0.773SS**  trans76.9123.3159.8800000119
89R44.8Very low43.5Very low237 Ų237114.7 Ų114.789%0.89480%0.804SS**  173.4153.9100.1-92.1162.7-173.5-125.4-4112.3
90S45.8Very low43.6Very low133 Ų133116.4 Ų116.493%0.9382%0.822SS**  trans-91.8160.9179.3-420000112.4
91G40.1Very low44.3Very low68 Ų68121.9 Ų121.970%0.70183%0.829SS**  trans13894.4-179.200000108.1
92D44.2Very low44.5Very low176 Ų176114.3 Ų114.394%0.94182%0.818SS**  72.3139.967.8-160.2-89.4000112.9
93G38.3Very low45.1Very low67 Ų67115.4 Ų115.469%0.69181%0.812SS**  trans120.975.7-170.400000113.2
94G45.4Very low45.4Very low84 Ų84117.6 Ų117.687%0.86681%0.812SS**  trans-73.6150.1176.200000113.6
95S41.8Very low46Very low132 Ų132116.1 Ų116.192%0.92380%0.797SS**  trans-140.5150.6166.5-167.60000110.6
96A46.7Very low46.8Very low106 Ų106116.6 Ų116.688%0.87678%0.779SS**  trans-79.4147.3-155.400000115.6
97G40.1Very low47.6Very low58 Ų58120 Ų12060%0.59877%0.773SS**  trans145.2113.3155.900000115.6A99G97-A99 PolarHBondContact O-N 3.12Å
98P49Very low48.2Very low140 Ų140119.3 Ų119.391%0.90976%0.76SS**  trans-75.868.316632.9-34.4000110.6G100P98-G100 PolarHBondContact O-N 3.33Å
99A54.1Low48.9Very low101 Ų101119.7 Ų119.784%0.83575%0.752SS**  trans-79.246178.800000112.8G97 K101G97-A99 PolarHBondContact O-N 3.12Å; A99-K101 PolarHBondContact O-N 3.14Å
100G45.1Very low49.4Very low74 Ų74119.5 Ų119.576%0.76375%0.751SS**  trans-91.337.8-174.900000115.3P98 A102P98-G100 PolarHBondContact O-N 3.33Å; G100-A102 PolarHBondContact O-N 3.12Å
101K56.1Low50.1Low207 Ų207121.6 Ų121.690%0.974%0.744SS**  trans-88.690.3-179.6-64.8-178.4179.7-177.70110.7A99A99-K101 PolarHBondContact O-N 3.14Å
102A54.1Low50.7Low82 Ų82125.9 Ų125.968%0.67875%0.745SS**  trans-154.718.2-172.400000117.8G100G100-A102 PolarHBondContact O-N 3.12Å
103I56Low50.8Low149 Ų149124.7 Ų124.776%0.76473%0.732SS**SBendtrans-151.59.9-178.9-150.461.9000117
104T51.2Low51.9Low113 Ų113128.7 Ų128.769%0.69373%0.733SS**SBendtrans-142.833.7-177.269.70000113.3
105K53.8Low52.4Low135 Ų135132.7 Ų132.759%0.58773%0.729SS**SBendtrans-124.2-40.2177.5-163.4174.2-171.1-71.60111.8E107 N108 E109K105-E107 PolarHBondContact O-N 2.99Å; K105-N108 WeakPolarHBondContact O-CA 3.38Å; K105-N108 WeakPolarHBondContact O-CB 3.12Å; K105-N108 PolarHBondContact O-N 2.85Å; K105-E109 IonicContact NZ-OE1 2.54Å; K105-E109 PolarHBondContact NZ-OE1 2.81Å; K105-E109 PolarHBondContact O-N 2.82Å
106D53.2Low53.3Low96 Ų96135.9 Ų135.951%0.51372%0.721SS.*Hα-helixtrans-62-41-178.3-41.9-105.6000111.2N108 E109 W110D106-N108 VanDerWaalsContact C-N 3.26Å; D106-N108 PolarHBondContact O-N 2.7Å; D106-E109 PolarHBondContact O-N 2.96Å; D106-W110 VanDerWaalsContact O-CD1 3.24Å
107E53.7Low54.3Low156 Ų156139.3 Ų139.373%0.72972%0.719SS**Hα-helixtrans-66.2-25.1173.1-63.2-169.916400113.7K105K105-E107 PolarHBondContact O-N 2.99Å
108N55.4Low56Low100 Ų100140.1 Ų140.154%0.53571%0.712SS.*Hα-helixtrans-82.5-31.4176.6-96.494.8000112K105 D106 W110 K111 E112K105-N108 WeakPolarHBondContact O-CA 3.38Å; K105-N108 WeakPolarHBondContact O-CB 3.12Å; K105-N108 PolarHBondContact O-N 2.85Å; D106-N108 VanDerWaalsContact C-N 3.26Å; D106-N108 PolarHBondContact O-N 2.7Å; N108-W110 PolarHBondContact O-N 3.21Å; N108-K111 CarbonylContact O-C 3.36Å; N108-K111 WeakPolarHBondContact O-CA 3.44Å; N108-K111 WeakPolarHBondContact O-CB 3.43Å; N108-K111 PolarHBondContact O-N 2.77Å; N108-E112 PolarHBondContact O-N 3.37Å; N108-E112 VanDerWaalsContact O-N 3.07Å
109E57.9Low57.4Low100 Ų100139.7 Ų139.747%0.46770%0.702SS.*Hα-helixtrans-67.7-24.8177.4-72.4169.1177.600112.4K105 D106 K111K105-E109 IonicContact NZ-OE1 2.54Å; K105-E109 PolarHBondContact NZ-OE1 2.81Å; K105-E109 PolarHBondContact O-N 2.82Å; D106-E109 PolarHBondContact O-N 2.96Å; E109-K111 VanDerWaalsContact C-N 3.34Å
110W56.4Low58.3Low232 Ų232142.5 Ų142.588%0.87969%0.692SS**THydrogen-bonded Turntrans-80.6-9.3166.8-67.7100.9000114.5D106 N108D106-W110 VanDerWaalsContact O-CD1 3.24Å; N108-W110 PolarHBondContact O-N 3.21Å
111K59.8Low59.6Low178 Ų178144 Ų14477%0.77469%0.691SS**THydrogen-bonded Turntrans-101.6-4.7173.4-92.6178.2175.6171.40113.8N108 E109N108-K111 CarbonylContact O-C 3.36Å; N108-K111 WeakPolarHBondContact O-CA 3.44Å; N108-K111 WeakPolarHBondContact O-CB 3.43Å; N108-K111 PolarHBondContact O-N 2.77Å; E109-K111 VanDerWaalsContact C-N 3.34Å
112E53.1Low60.6Low157 Ų157137.1 Ų137.173%0.73468%0.679SS**  trans-105.325.3-179.8-155.3164-147.700112.6N108 E114N108-E112 PolarHBondContact O-N 3.37Å; N108-E112 VanDerWaalsContact O-N 3.07Å; E112-E114 PolarHBondContact O-N 2.87Å
113F46.3Very low61.8Low151 Ų151138.5 Ų138.566%0.66267%0.674SS**  trans-71.974.1142.4-163.6-90.2000107.8Q115F113-Q115 PolarHBondContact O-N 2.57Å
114E61.8Low62.7Low152 Ų152142.2 Ų142.271%0.7168%0.679SS**  trans-46.9127158.8-178.9179.6-116.600107.1E112 R116E112-E114 PolarHBondContact O-N 2.87Å; E114-R116 PolarHBondContact O-N 2.73Å
115Q55.7Low63.8Low168 Ų168139.7 Ų139.779%0.78566%0.663SS**  trans-70.482.3-174.8-68.9173.73400109F113 E117F113-Q115 PolarHBondContact O-N 2.57Å; Q115-E117 VanDerWaalsContact C-N 3.35Å; Q115-E117 PolarHBondContact O-N 2.76Å
116R60.4Low64.4Low199 Ų199140.4 Ų140.475%0.75167%0.669SS**  trans-57.5108.4155-66.9-171.8-176.9-164.41.5105.6E114 V118E114-R116 PolarHBondContact O-N 2.73Å; R116-V118 PolarHBondContact O-N 3.04Å
117E66.4Low64.9Low178 Ų178140.9 Ų140.983%0.83269%0.685SS**  trans-62.589.3169.6-68.815813600106.4Q115 D119Q115-E117 VanDerWaalsContact C-N 3.35Å; Q115-E117 PolarHBondContact O-N 2.76Å; E117-D119 PolarHBondContact O-N 2.91Å
118V75.8Confident65.4Low75 Ų75140.5 Ų140.546%0.45569%0.685SS.*  trans-68.9107.2176.1176.60000105.7R116 Y120R116-V118 PolarHBondContact O-N 3.04Å; V118-Y120 HydrophobicContact CB-CD2 4.44Å; V118-Y120 HydrophobicContact CB-CE1 4.28Å; V118-Y120 HydrophobicContact CB-CE2 3.84Å; V118-Y120 HydrophobicContact CG1-CD1 4.08Å; V118-Y120 HydrophobicContact CG1-CE1 3.59Å; V118-Y120 HydrophobicContact CG1-CE2 4.06Å; V118-Y120 WeakPolarHBondContact O-CD2 3.19Å; V118-Y120 WeakPolarHBondContact O-CE2 3.46Å; V118-Y120 PolarHBondContact O-N 3.06Å
119D79.4Confident65.7Low130 Ų130142.9 Ų142.970%0.69569%0.693SS**  trans-6476.9-178.2-92.2-51.8000112.3E117 S121 G122E117-D119 PolarHBondContact O-N 2.91Å; D119-S121 PolarHBondContact O-N 2.86Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 PolarHBondContact OD1-OG 3.01Å; D119-G122 PolarHBondContact O-N 2.66Å; D119-G122 VanDerWaalsContact O-N 3.11Å
120Y72.7Confident65.7Low161 Ų161145.7 Ų145.763%0.63171%0.71SS**G310 helixtrans-64.3-8.8171.5-60.3-65.6000112.1V118 G122 L123V118-Y120 HydrophobicContact CB-CD2 4.44Å; V118-Y120 HydrophobicContact CB-CE1 4.28Å; V118-Y120 HydrophobicContact CB-CE2 3.84Å; V118-Y120 HydrophobicContact CG1-CD1 4.08Å; V118-Y120 HydrophobicContact CG1-CE1 3.59Å; V118-Y120 HydrophobicContact CG1-CE2 4.06Å; V118-Y120 WeakPolarHBondContact O-CD2 3.19Å; V118-Y120 WeakPolarHBondContact O-CE2 3.46Å; V118-Y120 PolarHBondContact O-N 3.06Å; Y120-G122 PolarHBondContact O-N 2.9Å; Y120-L123 HydrophobicContact CD1-CD2 4.29Å; Y120-L123 WeakPolarHBondContact O-CA 3.39Å; Y120-L123 VanDerWaalsContact O-CB 3.23Å; Y120-L123 WeakPolarHBondContact O-CB 3.43Å; Y120-L123 PolarHBondContact O-N 3.33Å
121S72.3Confident65.5Low104 Ų104138.4 Ų138.473%0.72769%0.694SS**G310 helixtrans-55-32.4166590000113.2D119 L123D119-S121 PolarHBondContact O-N 2.86Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 PolarHBondContact OD1-OG 3.01Å; S121-L123 VanDerWaalsContact C-N 3.34Å
122G78Confident65.1Low64 Ų64139.6 Ų139.666%0.6670%0.703SS**G310 helixtrans-79.1-14172.800000114.3D119 Y120 R124D119-G122 PolarHBondContact O-N 2.66Å; D119-G122 VanDerWaalsContact O-N 3.11Å; Y120-G122 PolarHBondContact O-N 2.9Å; G122-R124 PolarHBondContact O-N 2.68Å
123L78.6Confident65.2Low110 Ų110140.7 Ų140.758%0.57671%0.705SS**SBendtrans-82.1103.6179.6-160.873.1000108.9Y120 S121 V125Y120-L123 HydrophobicContact CD1-CD2 4.29Å; Y120-L123 WeakPolarHBondContact O-CA 3.39Å; Y120-L123 VanDerWaalsContact O-CB 3.23Å; Y120-L123 WeakPolarHBondContact O-CB 3.43Å; Y120-L123 PolarHBondContact O-N 3.33Å; S121-L123 VanDerWaalsContact C-N 3.34Å; L123-V125 VanDerWaalsContact C-N 3.29Å; L123-V125 HydrophobicContact CB-CG2 4.32Å; L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 4.27Å; L123-V125 WeakPolarHBondContact O-CG2 3.2Å; L123-V125 PolarHBondContact O-N 2.78Å
124R75.9Confident65.4Low228 Ų228141.7 Ų141.786%0.8671%0.712SS**  trans-71.580.5179.6-65.8-174.2-65.41481.4111.3G122 Q126G122-R124 PolarHBondContact O-N 2.68Å; R124-Q126 PolarHBondContact O-N 3.14Å
125V72.9Confident64.8Low60 Ų60141.7 Ų141.736%0.36472%0.717SS.*  trans-76.146-176.5-148.40000113L123 A127 M128 Q129L123-V125 VanDerWaalsContact C-N 3.29Å; L123-V125 HydrophobicContact CB-CG2 4.32Å; L123-V125 HydrophobicContact CD2-CG2 4.22Å; L123-V125 HydrophobicContact CG-CG2 4.27Å; L123-V125 WeakPolarHBondContact O-CG2 3.2Å; L123-V125 PolarHBondContact O-N 2.78Å; V125-A127 PolarHBondContact O-N 2.89Å; V125-M128 HydrophobicContact CG1-CB 3.68Å; V125-M128 HydrophobicContact CG1-CG 3.71Å; V125-M128 HydrophobicContact CG1-SD 3.65Å; V125-M128 PolarHBondContact O-N 2.73Å; V125-Q129 PolarHBondContact O-N 2.83Å; V125-Q129 VanDerWaalsContact O-N 3.14Å
126Q67.6Low64.6Low150 Ų150141.3 Ų141.370%0.70172%0.72SS**THydrogen-bonded Turntrans-58.5-23.1-178.4-167.3175.116.200113R124R124-Q126 PolarHBondContact O-N 3.14Å
127A63.8Low64.1Low105 Ų105139.5 Ų139.587%0.86873%0.725SS**THydrogen-bonded Turntrans-81.1-10.8175.300000114.7V125V125-A127 PolarHBondContact O-N 2.89Å
128M62.9Low63.3Low148 Ų148137.4 Ų137.473%0.72972%0.72SS**THydrogen-bonded Turntrans-106-9.8167.5-67.2176.759.700112.5V125 I130V125-M128 HydrophobicContact CG1-CB 3.68Å; V125-M128 HydrophobicContact CG1-CG 3.71Å; V125-M128 HydrophobicContact CG1-SD 3.65Å; V125-M128 PolarHBondContact O-N 2.73Å; M128-I130 PolarHBondContact O-N 2.81Å
129Q62.6Low62.3Low150 Ų150142.1 Ų142.170%0.70174%0.737SS**  trans-75.256.3169.3-68.5-176.4-55.400112.1V125V125-Q129 PolarHBondContact O-N 2.83Å; V125-Q129 VanDerWaalsContact O-N 3.14Å
130I56.5Low61.3Low159 Ų159145 Ų14582%0.81574%0.743SS**  trans-67.9131.3137.748.4174.8000106.4M128M128-I130 PolarHBondContact O-N 2.81Å
131S52.7Low60.5Low79 Ų79146.8 Ų146.855%0.55275%0.749SS**  trans-80.2128.7-158.145.20000113.7K133S131-K133 PolarHBondContact O-N 3.28Å
132E52.8Low59.6Low204 Ų204149.2 Ų149.295%0.95375%0.749SS**THydrogen-bonded Turntrans-63.961.5158.1-170.6-166.2124.800110.3
133K54.8Low58.2Low179 Ų179151.3 Ų151.378%0.77875%0.745SS**THydrogen-bonded Turntrans-153.813.3-175.1-161.5135.5-163.964.20114.7S131S131-K133 PolarHBondContact O-N 3.28Å
134E50.2Low57.2Low173 Ų173152.7 Ų152.781%0.80876%0.76SS**SBendtrans-144.310.3178.8-143.9160.6-159.900114.8
135D48.6Very low56.2Low151 Ų151144.1 Ų144.181%0.80774%0.743SS**  trans-117.324.7179.4-79.7-66.8000113.4D137D135-D137 PolarHBondContact O-N 2.86Å
136D51.9Low55.1Low160 Ų160148.5 Ų148.586%0.85676%0.764SS**  trans-81.231.7-177.8-156.316.3000112.8
137D51Low54.4Low161 Ų161148.5 Ų148.586%0.86177%0.769SS**  trans-149.835.4-165.1-150.5-0.7000114.2D135D135-D137 PolarHBondContact O-N 2.86Å
138N48.1Very low54.1Low135 Ų135155.7 Ų155.772%0.72277%0.774SS**  trans-128.817.1179-16734000115K140N138-K140 PolarHBondContact O-N 2.76Å
139E56.3Low54Low173 Ų173157.1 Ų157.181%0.80878%0.779SS**THydrogen-bonded Turntrans-77.840.2-176.5-59.4-163.5126.400114.9
140K56.8Low53.5Low191 Ų191159.1 Ų159.183%0.8379%0.788SS**THydrogen-bonded Turntrans-140.513.8-171.7-72.6-68.1163.6-83.40117.2N138N138-K140 PolarHBondContact O-N 2.76Å
141R56.9Low52.9Low199 Ų199155.4 Ų155.475%0.75179%0.789SS**SBendtrans-132.4116.1165.1-91-164.4158.4-70.9-6.5114.3
142E52.4Low52.4Low155 Ų155155.1 Ų155.172%0.72480%0.799SS**  trans1.4121.7149.9-61.2158.613100117.5
143D49.4Very low52.5Low108 Ų108149.9 Ų149.958%0.57880%0.799SS**  trans12.6110.5140.9175.639000118.5G145 D146D143-G145 WeakPolarHBondContact OD1-CA 2.99Å; D143-G145 PolarHBondContact OD1-N 3.07Å; D143-D146 PolarHBondContact OD1-N 2.75Å
144P57.5Low52.3Low138 Ų138145.1 Ų145.190%0.89680%0.801SS**SBendtrans-120.530.9153.839.9-29.5000112
145G53.9Low52.4Low48 Ų48142.9 Ų142.950%0.49581%0.805SS.*  trans-100.2-36.7-17500000114.9D143 N147D143-G145 WeakPolarHBondContact OD1-CA 2.99Å; D143-G145 PolarHBondContact OD1-N 3.07Å; G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 3.25Å
146D51.5Low52.6Low153 Ų153139.1 Ų139.182%0.81880%0.802SS**SBendtrans-83.434.9-165.9-74.5-10.8000115.3D143D143-D146 PolarHBondContact OD1-N 2.75Å
147N53Low52.7Low150 Ų150135.4 Ų135.480%0.80279%0.793SS**  trans-144.272.3175.9-167.4104.7000113.6G145G145-N147 VanDerWaalsContact C-N 3.26Å; G145-N147 PolarHBondContact O-N 3.25Å
148W55.5Low53Low256 Ų256136.8 Ų136.897%0.9780%0.795SS**  trans-141.65.5160.176.1-13.5000115.9
149E61.5Low53.4Low178 Ų178140.1 Ų140.183%0.83280%0.802SS**SBendtrans-86.2156.2162.6-165.7160.4110.200109.7
150E51.9Low53.4Low191 Ų191137.2 Ų137.289%0.89380%0.801SS**SBendtrans62.164.9178.8-156.169.7-16100116.5
151G45.3Very low53.4Low81 Ų81130.7 Ų130.784%0.83578%0.78SS**  trans176.883.4167.200000113.6
152G42.3Very low54.1Low73 Ų73122.8 Ų122.875%0.75376%0.76SS**  cis133.5134.231.200000106.6G154G152-G154 PolarHBondContact O-N 2.78Å
153G54.5Low54.9Low94 Ų94121.4 Ų121.497%0.96976%0.764SS**  trans-64.797.7-166.600000114.5
154G49.4Very low55.5Low79 Ų79127.7 Ų127.781%0.81478%0.78SS**  trans-110.289.9-175.700000114.2G152G152-G154 PolarHBondContact O-N 2.78Å
155S52.4Low56Low126 Ų126127.2 Ų127.288%0.88177%0.77SS**  trans-82.9132.8166.259.90000111.2
156G53.6Low56.4Low73 Ų73132.2 Ų132.275%0.75378%0.778SS**  trans137.7130.6161.400000116
157A52.7Low56.8Low81 Ų81131.9 Ų131.967%0.66978%0.782SS**SBendtrans63.3159159.200000120.5K159A157-K159 PolarHBondContact O-N 3.05Å
158E57.8Low56.9Low191 Ų191128.6 Ų128.689%0.89378%0.775SS**  trans35.432152.667.4-163.769.500123.1S160E158-S160 VanDerWaalsContact C-N 3.33Å; E158-S160 PolarHBondContact O-N 2.93Å
159K56.1Low56.5Low204 Ų204122.4 Ų122.489%0.88777%0.769SS**  trans-62.387.316557.3179.2174.5-174.10114.1A157A157-K159 PolarHBondContact O-N 3.05Å
160S56.9Low55.7Low112 Ų112120.8 Ų120.878%0.78377%0.77SS**  trans44.575.5147.7-55.70000116.3E158 G162E158-S160 VanDerWaalsContact C-N 3.33Å; E158-S160 PolarHBondContact O-N 2.93Å; S160-G162 VanDerWaalsContact C-N 3.29Å; S160-G162 PolarHBondContact O-N 3.24Å
161S56Low55.6Low55 Ų55120.3 Ų120.339%0.38577%0.768SS.*  trans-71.378.8175.9-178.60000112.7N165 K166S161-N165 PolarHBondContact OG-O 3.24Å; S161-K166 PolarHBondContact O-NZ 2.74Å; S161-K166 VanDerWaalsContact O-NZ 3.12Å; S161-K166 WeakPolarHBondContact OG-CB 3.28Å; S161-K166 VanDerWaalsContact OG-CD 3.3Å; S161-K166 WeakPolarHBondContact OG-CD 3.23Å; S161-K166 WeakPolarHBondContact OG-CE 3.03Å; S161-K166 VanDerWaalsContact OG-CG 3.22Å; S161-K166 WeakPolarHBondContact OG-CG 2.77Å
162G71.8Confident55.6Low32 Ų32120.4 Ų120.433%0.3376%0.761SS.*  trans-65.2169.8166.600000112.6S160 W164 N165S160-G162 VanDerWaalsContact C-N 3.29Å; S160-G162 PolarHBondContact O-N 3.24Å; G162-W164 PolarHBondContact O-N 3.46Å; G162-N165 PolarHBondContact O-N 2.73Å
163P69.7Low55.9Low126 Ų126122.8 Ų122.882%0.81876%0.763SS**THydrogen-bonded Turntrans-62.6-17.5-166.923.1-33.7000115.2
164W63.2Low55.3Low241 Ų241124.3 Ų124.391%0.91376%0.756SS**THydrogen-bonded Turntrans-89.5-17.1177.2-6390.1000114G162G162-W164 PolarHBondContact O-N 3.46Å
165N66.9Low54.8Low127 Ų127124.8 Ų124.868%0.67975%0.752SS**SBendtrans-125.462.1-168.3-68.3-35.9000111.3S161 G162S161-N165 PolarHBondContact OG-O 3.24Å; G162-N165 PolarHBondContact O-N 2.73Å
166K63.3Low54.9Low154 Ų154124.8 Ų124.867%0.6775%0.749SS**  trans-13872.5-173.5-151.7149.8-151.3151.30112.8S161 A168S161-K166 PolarHBondContact O-NZ 2.74Å; S161-K166 VanDerWaalsContact O-NZ 3.12Å; S161-K166 WeakPolarHBondContact OG-CB 3.28Å; S161-K166 VanDerWaalsContact OG-CD 3.3Å; S161-K166 WeakPolarHBondContact OG-CD 3.23Å; S161-K166 WeakPolarHBondContact OG-CE 3.03Å; S161-K166 VanDerWaalsContact OG-CG 3.22Å; S161-K166 WeakPolarHBondContact OG-CG 2.77Å; K166-A168 PolarHBondContact O-N 3.02Å; K166-A168 VanDerWaalsContact O-N 3.14Å
167T59.9Low54.3Low145 Ų145128.1 Ų128.189%0.8976%0.755SS**  trans-68.3104.5171.747.40000110.3
168A54.2Low53.9Low81 Ų81130.3 Ų130.367%0.66976%0.76SS**  trans-66.6141.3174.200000111.2K166 V170K166-A168 PolarHBondContact O-N 3.02Å; K166-A168 VanDerWaalsContact O-N 3.14Å; A168-V170 PolarHBondContact O-N 3.47Å
169P47.9Very low53Low127 Ų127127.2 Ų127.283%0.82575%0.754SS**  trans-66.6123.9174.327.6-33.4000110.2Q171P169-Q171 PolarHBondContact O-N 3.41Å; P169-Q171 VanDerWaalsContact O-N 3.12Å
170V43.8Very low52.2Low144 Ų144123 Ų12387%0.87375%0.745SS**  trans-76101.2179.91780000109.8A168A168-V170 PolarHBondContact O-N 3.47Å
171Q51Low51.7Low181 Ų181125.4 Ų125.485%0.84674%0.744SS**PPolyproline II helixtrans-70.3138.8169.3-170.9174.74.700110.4P169P169-Q171 PolarHBondContact O-N 3.41Å; P169-Q171 VanDerWaalsContact O-N 3.12Å
172A44.2Very low50.8Low82 Ų82128 Ų12868%0.67876%0.758SS**PPolyproline II helixtrans-70.9147.4-17800000112.7
173P47.8Very low50.6Low124 Ų124130.4 Ų130.481%0.80577%0.767SS**PPolyproline II helixtrans-87.8135-171.133-35000114.4
174P42.6Very low49.4Very low125 Ų125130 Ų13081%0.81276%0.755SS**PPolyproline II helixtrans-82.6172.7154.533.8-31.8000112.2
175A40.3Very low48.9Very low89 Ų89122.2 Ų122.274%0.73674%0.735SS**PPolyproline II helixtrans-76.3160.5-167.900000115.3
176P53.1Low48Very low127 Ų127120 Ų12083%0.82574%0.735SS**PPolyproline II helixtrans-85.4151.1-171.334.2-36.3000114.8
177V41.9Very low47.2Very low143 Ų143121 Ų12187%0.86774%0.744SS**  trans-135.8163.4170.2-164.20000108.8
178T43Very low47Very low127 Ų127120.1 Ų120.178%0.77974%0.74SS**  trans-122.3176.8-152.1450000115.4
179V40.4Very low46.8Very low125 Ų125121.6 Ų121.676%0.75875%0.746SS**  trans97.6108.8155.8-170.60000120.4
180T39.2Very low47.3Very low116 Ų116119 Ų11971%0.71274%0.743SS**  trans47.5130.4132.1-119.40000126.8
181E45.5Very low48.8Very low162 Ų162119 Ų11976%0.75774%0.743SS**  trans59.7144.7132.4-115.1-173.596.400127.7
182T37.5Very low49.5Very low110 Ų110119.8 Ų119.868%0.67574%0.739SS**  trans83.9152144.3-73.40000120.2
183P67Low50.7Low82 Ų82123.5 Ų123.553%0.53274%0.736SS.*  trans-125.9160.3-142.844.2-33.6000122.3L64L64-P183 HydrophobicContact CD1-CB 4.46Å; L64-P183 HydrophobicContact CD2-CB 3.41Å; L64-P183 VanDerWaalsContact CD2-CB 3.41Å; L64-P183 HydrophobicContact CG-CB 3.68Å
184E44.2Very low52Low117 Ų117121.6 Ų121.655%0.54772%0.723SS.*  trans72.8155.2153.2-76.4-157.281.900122.1G62 S63 L64G62-E184 CarbonylContact C-O 3.08Å; G62-E184 VanDerWaalsContact CA-O 3.26Å; G62-E184 WeakPolarHBondContact CA-O 3.5Å; G62-E184 CarbonylContact O-C 3.34Å; S63-E184 VanDerWaalsContact CA-C 3.42Å; S63-E184 PolarHBondContact N-O 2.54Å; L64-E184 HydrophobicContact CB-CG 4.37Å; L64-E184 HydrophobicContact CD1-CG 3.37Å; L64-E184 HydrophobicContact CG-CB 4.48Å; L64-E184 HydrophobicContact CG-CG 3.57Å
185P53.7Low52.4Low78 Ų78122.2 Ų122.251%0.50673%0.728SS.*  cis-143142.6-21.834.4-12.6000120G62G62-P185 CarbonylContact O-C 3.49Å
186A48.5Very low53.1Low81 Ų81119.7 Ų119.767%0.66971%0.71SS**  trans76.3139.313900000125.3S63S63-A186 PolarHBondContact OG-N 3.11Å
187M44.9Very low53.2Low175 Ų175116.1 Ų116.186%0.86269%0.691SS**  trans-152.3114.6162.3-101.2-74.7-83.700110.7
188P57.3Low54Low126 Ų126119.7 Ų119.782%0.81869%0.689SS**  trans-118.785.6-166.140-30.3000116.7
189S50.3Low54.5Low112 Ų112120.6 Ų120.678%0.78369%0.688SS**  trans-159.3142.9170.557.40000112.6
190G58Low55.3Low74 Ų74121.3 Ų121.376%0.76369%0.693SS**  cis-163.796.3-3.500000111.7
191V75.1Confident55.8Low143 Ų143121.8 Ų121.887%0.86770%0.696SS**  trans-135.4147.4175.4-179.60000108.3
192Y65.1Low55.9Low197 Ų197118.1 Ų118.177%0.77369%0.685SS**  trans-59135.7-177.9178.2-104.7000112.7P194Y192-P194 HydrophobicContact CE1-CB 3.97Å; Y192-P194 WeakPolarHBondContact O-CD 3.37Å
193R69.9Low56.4Low160 Ų160125 Ų12560%0.60470%0.699SS**  trans-116.794.8-177.8-177.3165.5170.5-148.2-6.2111.2A197R193-A197 HydrophobicContact CB-CB 4.19Å; R193-A197 HydrophobicContact CG-CB 4.12Å; R193-A197 PolarHBondContact NH1-O 3.1Å
194P74.4Confident55.8Low84 Ų84128.1 Ų128.155%0.54570%0.704SS.*SBendtrans-66.6147.6177.528.7-34.8000111.5Y192 G196Y192-P194 HydrophobicContact CE1-CB 3.97Å; Y192-P194 WeakPolarHBondContact O-CD 3.37Å; P194-G196 PolarHBondContact O-N 2.94Å
195P52.3Low56.6Low139 Ų139127.4 Ų127.490%0.90371%0.708SS**SBendtrans32.21.1-173-34.79.4000123.3
196G53Low56.6Low36 Ų36130 Ų13037%0.37173%0.725SS.*  trans-78-151.9133.500000109.8P194P194-G196 PolarHBondContact O-N 2.94Å
197A56.4Low57.4Low52 Ų52130.8 Ų130.843%0.4372%0.715SS.*SBendcis-89.28.24.800000114.6R193R193-A197 HydrophobicContact CB-CB 4.19Å; R193-A197 HydrophobicContact CG-CB 4.12Å; R193-A197 PolarHBondContact NH1-O 3.1Å
198R57.8Low58.8Low217 Ų217125.2 Ų125.282%0.81970%0.702SS**  trans-123.6126.6-146.3-65-177178.6-131.6-4.2114.4
199L54.5Low59.9Low146 Ų146125 Ų12576%0.76470%0.7SS**  trans61.3103.5143.9-54.8175.3000118.7T201L199-T201 PolarHBondContact O-N 3.32Å
200T55.8Low61.3Low140 Ų140122.9 Ų122.986%0.85968%0.684SS**  21.894125.955.80000117.3
201T50.8Low62.6Low126 Ų126124.1 Ų124.177%0.77367%0.67SS**  trans-117.5128.6149.8-177.60000108.7L199L199-T201 PolarHBondContact O-N 3.32Å
202T46.5Very low63.2Low86 Ų86123 Ų12353%0.52866%0.658SS.*  trans34.1106.7178.5-179.20000116.7K204T202-K204 VanDerWaalsContact C-N 3.3Å; T202-K204 HydrophobicContact CG2-CD 4.37Å; T202-K204 PolarHBondContact O-N 2.88Å
203R49.3Very low64Low253 Ų253123.7 Ų123.796%0.95566%0.661SS**  trans-52.9106.3139.9-84.9-172.2178.2-171.30.6106.1
204K54.2Low64.8Low148 Ų148117.2 Ų117.264%0.64364%0.64SS**  trans-69.1149.8150-61.8-62-179.2-178.50106.9T202T202-K204 VanDerWaalsContact C-N 3.3Å; T202-K204 HydrophobicContact CG2-CD 4.37Å; T202-K204 PolarHBondContact O-N 2.88Å
205T60.7Low65.1Low103 Ų103117 Ų11763%0.63263%0.634SS**  trans-53.6173.2166.528.10000111.3Q207T205-Q207 PolarHBondContact O-N 3.48Å; T205-Q207 PolarHBondContact OG1-OE1 2.86Å
206P53.5Low66.6Low133 Ų133116.3 Ų116.386%0.86463%0.628SS**SBendtrans-65.171.516430-36.3000110.4
207Q66.3Low68.1Low97 Ų97118.7 Ų118.745%0.45363%0.629SS.*  trans-62.6140.2167.1-142.773.33.900107.2T205 E211T205-Q207 PolarHBondContact O-N 3.48Å; T205-Q207 PolarHBondContact OG1-OE1 2.86Å; Q207-E211 PolarHBondContact NE2-OE1 3.34Å
208G73.1Confident69.6Low58 Ų58121.1 Ų121.160%0.59863%0.63SS**  trans-74.3-146.1-17900000112.8
209P80.5Confident71Confident120 Ų120115.7 Ų115.778%0.77962%0.623SS**SBendtrans-48.3139.6167.7-26.235.7000111.2
210P79.6Confident72.4Confident69 Ų69111.1 Ų111.145%0.44860%0.603SS.*  trans-62.2140.7-173.426.9-35.5000111.2I212 F218P210-I212 PolarHBondContact O-N 3.08Å; P210-F218 HydrophobicContact CB-CE2 3.94Å; P210-F218 HydrophobicContact CB-CZ 4.22Å; P210-F218 HydrophobicContact CG-CE2 4.22Å; P210-F218 HydrophobicContact CG-CZ 4.08Å
211E86.7Confident73.4Confident99 Ų99112.1 Ų112.146%0.46360%0.602SS.*  trans-78113.3-172.5-72169-136.300109.7Q207 Y213 S214Q207-E211 PolarHBondContact NE2-OE1 3.34Å; E211-Y213 PolarHBondContact O-N 3.1Å; E211-S214 VanDerWaalsContact O-CB 3.26Å; E211-S214 WeakPolarHBondContact O-CB 3.44Å; E211-S214 PolarHBondContact O-N 2.71Å
212I86.3Confident74.6Confident120 Ų120112.7 Ų112.762%0.61560%0.596SS**THydrogen-bonded Turntrans-61.7-12.2-174.962.5174000114.8P210P210-I212 PolarHBondContact O-N 3.08Å
213Y82.7Confident75.8Confident212 Ų212110.6 Ų110.683%0.83159%0.585SS**THydrogen-bonded Turntrans-106.43.3175.9-53.4-62.2000113.3E211 D215E211-Y213 PolarHBondContact O-N 3.1Å; Y213-D215 PolarHBondContact O-N 3.05Å
214S85.4Confident76.4Confident23 Ų23103.5 Ų103.516%0.16157%0.57CS.*  trans-80.2102.6178.2179.70000110.3E211 T216 Q217 F218E211-S214 VanDerWaalsContact O-CB 3.26Å; E211-S214 WeakPolarHBondContact O-CB 3.44Å; E211-S214 PolarHBondContact O-N 2.71Å; S214-T216 PolarHBondContact O-N 2.91Å; S214-T216 PolarHBondContact OG-OG1 2.98Å; S214-Q217 PolarHBondContact O-N 3.23Å; S214-F218 PolarHBondContact O-N 2.74Å
215D82.4Confident76.8Confident81 Ų8198.4 Ų98.443%0.43356%0.555SS.*THydrogen-bonded Turntrans-50.1-20171.3-97.3-45.6000113.6Y213 P219 S223Y213-D215 PolarHBondContact O-N 3.05Å; D215-P219 WeakPolarHBondContact O-CA 3.03Å; D215-S223 PolarHBondContact OD1-OG 3.3Å
216T83.3Confident76.7Confident124 Ų124100.6 Ų100.676%0.76156%0.556SS**THydrogen-bonded Turntrans-88.8-20.7177.967.70000114.6S214S214-T216 PolarHBondContact O-N 2.91Å; S214-T216 PolarHBondContact OG-OG1 2.98Å
217Q84.1Confident76.8Confident85 Ų8599.7 Ų99.740%0.39754%0.54SS..THydrogen-bonded Turntrans-102-35.2175.8-66.4-177.9-6000111.5S214S214-Q217 PolarHBondContact O-N 3.23Å
218F87.8Confident76.4Confident103 Ų10398.2 Ų98.245%0.45254%0.538SS..SBendtrans-129.488.3175.5-59.6-73.7000109P210 S214 S220P210-F218 HydrophobicContact CB-CE2 3.94Å; P210-F218 HydrophobicContact CB-CZ 4.22Å; P210-F218 HydrophobicContact CG-CE2 4.22Å; P210-F218 HydrophobicContact CG-CZ 4.08Å; S214-F218 PolarHBondContact O-N 2.74Å; F218-S220 PolarHBondContact O-N 2.67Å
219P87.3Confident75.7Confident104 Ų104101 Ų10168%0.67554%0.535SS*.  trans-58.8113.1177.5-24.435000110.5D215D215-P219 WeakPolarHBondContact O-CA 3.03Å
220S84.3Confident74.7Confident49 Ų4998.1 Ų98.134%0.34352%0.518SS..  trans-68.5150.8-177.4940000111.3F218 Q222 S223F218-S220 PolarHBondContact O-N 2.67Å; S220-Q222 PolarHBondContact O-N 2.77Å; S220-Q222 VanDerWaalsContact O-N 3.11Å; S220-Q222 PolarHBondContact OG-N 2.78Å; S220-S223 WeakPolarHBondContact O-CB 3.48Å; S220-S223 PolarHBondContact O-N 2.71Å; S220-S223 PolarHBondContact O-OG 3.11Å; S220-S223 PolarHBondContact OG-N 2.98Å; S220-S223 PolarHBondContact OG-OG 3.01Å
221L77.4Confident73.7Confident161 Ų161102.6 Ų102.684%0.84353%0.526SS*.THydrogen-bonded Turntrans-62.2-17.6173.8-64.4176.5000112.9T224L221-T224 PolarHBondContact O-OG1 2.89Å
222Q74.6Confident72.4Confident139 Ų139105.5 Ų105.565%0.6554%0.537SS*.THydrogen-bonded Turntrans-83.3-16174.2-59.9-62.2-64.100112.6S220 T224 A225S220-Q222 PolarHBondContact O-N 2.77Å; S220-Q222 VanDerWaalsContact O-N 3.11Å; S220-Q222 PolarHBondContact OG-N 2.78Å; Q222-T224 VanDerWaalsContact C-N 3.29Å; Q222-T224 PolarHBondContact O-N 3.35Å; Q222-A225 WeakPolarHBondContact O-CB 3.5Å; Q222-A225 PolarHBondContact O-N 3.36Å
223S71.5Confident70.9Confident41 Ų41109.4 Ų109.429%0.28755%0.545SS..THydrogen-bonded Turntrans-75.4-19-174.1-54.80000112.5D215 S220D215-S223 PolarHBondContact OD1-OG 3.3Å; S220-S223 WeakPolarHBondContact O-CB 3.48Å; S220-S223 PolarHBondContact O-N 2.71Å; S220-S223 PolarHBondContact O-OG 3.11Å; S220-S223 PolarHBondContact OG-N 2.98Å; S220-S223 PolarHBondContact OG-OG 3.01Å
224T62.2Low69.7Low104 Ų104106.4 Ų106.464%0.63854%0.543SS*.THydrogen-bonded Turntrans-80.8-29.1169.2580000113.1L221 Q222 K226 H227L221-T224 PolarHBondContact O-OG1 2.89Å; Q222-T224 VanDerWaalsContact C-N 3.29Å; Q222-T224 PolarHBondContact O-N 3.35Å; T224-K226 VanDerWaalsContact C-N 3.34Å; T224-K226 PolarHBondContact O-N 3.32Å; T224-H227 WeakPolarHBondContact O-CB 3.43Å; T224-H227 PolarHBondContact O-N 2.94Å
225A62.6Low67.7Low41 Ų41118.4 Ų118.434%0.33959%0.592SS.*G310 helixtrans-62.6-40.1-177.900000112Q222 H227 V228Q222-A225 WeakPolarHBondContact O-CB 3.5Å; Q222-A225 PolarHBondContact O-N 3.36Å; A225-H227 PolarHBondContact O-N 3.26Å; A225-V228 VanDerWaalsContact O-CB 3.32Å; A225-V228 WeakPolarHBondContact O-CB 3.37Å; A225-V228 WeakPolarHBondContact O-CG2 3.35Å; A225-V228 PolarHBondContact O-N 2.98Å
226K58.5Low66.9Low150 Ų150120.3 Ų120.365%0.65260%0.6SS**G310 helixtrans-58.7-10.7174.1-62.4176-177.2169.20114.5T224 E229T224-K226 VanDerWaalsContact C-N 3.34Å; T224-K226 PolarHBondContact O-N 3.32Å; K226-E229 WeakPolarHBondContact CA-OE2 3.47Å
227H56.9Low66.1Low113 Ų113120.1 Ų120.152%0.52359%0.591SS.*G310 helixtrans-98.113.8174.7-156.1-105.7000112.7T224 A225 R231T224-H227 WeakPolarHBondContact O-CB 3.43Å; T224-H227 PolarHBondContact O-N 2.94Å; A225-H227 PolarHBondContact O-N 3.26Å; H227-R231 PolarHBondContact ND1-NH2 3.07Å; H227-R231 VanDerWaalsContact O-CZ 3.31Å; H227-R231 PolarHBondContact O-NE 3.34Å; H227-R231 PolarHBondContact O-NH2 2.96Å
228V56.7Low65.1Low67 Ų67122 Ų12241%0.40660%0.602SS.*THydrogen-bonded Turntrans-99.8-35175.1179.90000111.5A225 S230 R231A225-V228 VanDerWaalsContact O-CB 3.32Å; A225-V228 WeakPolarHBondContact O-CB 3.37Å; A225-V228 WeakPolarHBondContact O-CG2 3.35Å; A225-V228 PolarHBondContact O-N 2.98Å; V228-S230 PolarHBondContact O-N 3.42Å; V228-R231 PolarHBondContact O-N 2.54Å
229E59.3Low63.8Low116 Ų116123.1 Ų123.154%0.54261%0.611SS.*G310 helixtrans-61.9-42.3176.7-68.179.4-159.300112.5K226 R231 K232K226-E229 WeakPolarHBondContact CA-OE2 3.47Å; E229-R231 PolarHBondContact O-N 3Å; E229-R231 VanDerWaalsContact O-N 3.17Å; E229-K232 PolarHBondContact O-N 2.89Å; E229-K232 VanDerWaalsContact O-N 3.13Å
230S59.7Low62.3Low59 Ų59124.3 Ų124.341%0.41361%0.607SS.*G310 helixtrans-61.8-25.4-177.158.40000114.3V228 K232V228-S230 PolarHBondContact O-N 3.42Å; S230-K232 VanDerWaalsContact C-N 3.33Å
231R57.9Low60.8Low163 Ų163129.3 Ų129.362%0.61563%0.625SS**G310 helixtrans-80.4-8.7179.5-86.3177-81.8-172.7-1.3114.2H227 V228 E229 Y233H227-R231 PolarHBondContact ND1-NH2 3.07Å; H227-R231 VanDerWaalsContact O-CZ 3.31Å; H227-R231 PolarHBondContact O-NE 3.34Å; H227-R231 PolarHBondContact O-NH2 2.96Å; V228-R231 PolarHBondContact O-N 2.54Å; E229-R231 PolarHBondContact O-N 3Å; E229-R231 VanDerWaalsContact O-N 3.17Å; R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 3.38Å
232K60.4Low59.6Low161 Ų161127.1 Ų127.170%0.761%0.609SS**G310 helixtrans-86.55.1-178-59.2-172.2-179-178.60114.4E229 S230E229-K232 PolarHBondContact O-N 2.89Å; E229-K232 VanDerWaalsContact O-N 3.13Å; S230-K232 VanDerWaalsContact C-N 3.33Å
233Y54.8Low58.5Low201 Ų201126.2 Ų126.279%0.78861%0.606SS**G310 helixtrans-119.814.7-177.6-62.7-77.3000114R231R231-Y233 VanDerWaalsContact C-N 3.3Å; R231-Y233 PolarHBondContact O-N 3.38Å
234L57Low57.4Low149 Ų149133.3 Ų133.378%0.7863%0.633SS**  trans-118.251177.9-95.481.4000112.8
235K42.8Very low57Low275 Ų275135.9 Ų135.9100%1.19663%0.632SS**  trans-152.60155.4-147.273.5-179.9-176.30111

Retrieved 235 of 235 residues in 165.7 ms (Link to these results)