A0A087YPT6_POEFO Loading...

Coiled-coil domain containing 71

AlphaFold DB , UniProt , Accession A0A087YPT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 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
1M37Very low39.4Very low253 Ų253137.1 Ų137.1100%1.24686%0.858SS**  0141.50-84.8-171.6166.300108.6
2A41.3Very low39.4Very low108 Ų108145.3 Ų145.389%0.89386%0.861SS**  trans-74.7152-156.600000115.6
3A35.2Very low39.2Very low102 Ų102143.3 Ų143.384%0.84386%0.855SS**  trans-139.9137.2155.800000109.8
4S41.5Very low39.4Very low114 Ų114145.1 Ų145.180%0.79786%0.857SS**PPolyproline II helixtrans-79158.8-153.6-15.90000114.9
5P41.8Very low39.3Very low127 Ų127140.9 Ų140.983%0.82585%0.845SS**PPolyproline II helixtrans-77.1133.7174.630.4-31.1000111.8G7P5-G7 PolarHBondContact O-N 3.36Å
6Q42.1Very low39.1Very low200 Ų200145.4 Ų145.494%0.93585%0.85SS**PPolyproline II helixtrans-61.6122.1168.7-82.8-176.4-11.700110.3
7G40.8Very low39.1Very low58 Ų58142.4 Ų142.460%0.59885%0.846SS**PPolyproline II helixtrans-77.7165.1168.500000112.4P5 L9P5-G7 PolarHBondContact O-N 3.36Å; G7-L9 PolarHBondContact O-N 3.44Å
8P37.9Very low39.2Very low126 Ų126142 Ų14282%0.81884%0.839SS**PPolyproline II helixtrans-73.2126.5-176-4.320.8000110.7V10P8-V10 PolarHBondContact O-N 3.06Å
9L39.4Very low39.2Very low168 Ų168143 Ų14388%0.8884%0.835SS**  trans-66.997.9169.5-71.5167.1000109.2G7 C11G7-L9 PolarHBondContact O-N 3.44Å; L9-C11 PolarHBondContact O-N 3.13Å
10V39.4Very low39.6Very low135 Ų135144.4 Ų144.482%0.81883%0.833SS**  trans-62.3105.9164.6177.20000107.3P8 R12P8-V10 PolarHBondContact O-N 3.06Å; V10-R12 PolarHBondContact O-N 3.41Å; V10-R12 VanDerWaalsContact O-N 3.13Å
11C36.7Very low39.8Very low117 Ų117147.8 Ų147.879%0.79183%0.832SS**  trans-63.2112.6172.4-700000109L9L9-C11 PolarHBondContact O-N 3.13Å
12R39.1Very low40.4Very low235 Ų235147 Ų14789%0.88782%0.815SS**  trans-59.8136.7163-104.3-176.7175-176.3-1.1108.4V10 L14V10-R12 PolarHBondContact O-N 3.41Å; V10-R12 VanDerWaalsContact O-N 3.13Å; R12-L14 PolarHBondContact O-N 3.37Å
13P37.7Very low40.5Very low120 Ų120145.3 Ų145.378%0.77980%0.801SS**  trans-58.5132.3169.6-17.929.8000109.2A15P13-A15 VanDerWaalsContact C-N 3.33Å; P13-A15 PolarHBondContact O-N 3.35Å
14L42.2Very low41.2Very low169 Ų169146.5 Ų146.589%0.88580%0.797SS**  trans-52.296.3173.4-172.469.9000108.6R12 F16R12-L14 PolarHBondContact O-N 3.37Å; L14-F16 PolarHBondContact O-N 3.36Å
15A37.2Very low41.5Very low82 Ų82148.2 Ų148.268%0.67879%0.792SS**  trans-57.8135169.300000107P13 A17P13-A15 VanDerWaalsContact C-N 3.33Å; P13-A15 PolarHBondContact O-N 3.35Å; A15-A17 PolarHBondContact O-N 3.16Å
16F36.2Very low42Very low213 Ų213147.2 Ų147.293%0.93479%0.788SS**  trans-43.3101.6171.2-76.8-98.9000109.2L14 N18L14-F16 PolarHBondContact O-N 3.36Å; F16-N18 PolarHBondContact O-N 3.34Å
17A39.3Very low42.1Very low94 Ų94148.9 Ų148.978%0.77779%0.786SS**  trans-65.197.6162.600000104.5A15 E19A15-A17 PolarHBondContact O-N 3.16Å; A17-E19 VanDerWaalsContact C-N 3.29Å; A17-E19 PolarHBondContact O-N 3.41Å
18N40Very low42.7Very low135 Ų135150.8 Ų150.872%0.72279%0.791SS**  trans-59.7100.5168.2-150.6-23.1000104.4F16 E20F16-N18 PolarHBondContact O-N 3.34Å; N18-E20 PolarHBondContact O-N 3.22Å
19E39.9Very low43.6Very low161 Ų161156.9 Ų156.975%0.75280%0.797SS**  trans-59.791.9158.9-86.7-179.1167.700104.8A17 R21A17-E19 VanDerWaalsContact C-N 3.29Å; A17-E19 PolarHBondContact O-N 3.41Å; E19-R21 PolarHBondContact O-N 3.14Å
20E47.6Very low44.4Very low170 Ų170153.8 Ų153.879%0.79478%0.78SS**  trans-60.281.2167-70.5-179.1173.600106.6N18 R22N18-E20 PolarHBondContact O-N 3.22Å; E20-R22 VanDerWaalsContact C-N 3.27Å; E20-R22 PolarHBondContact O-N 3.32Å
21R43Very low45.2Very low216 Ų216152.3 Ų152.382%0.81578%0.776SS**  trans-56.2103.4161.7-72.5-173.2176.2-146.1-1.4104.1E19 A23E19-R21 PolarHBondContact O-N 3.14Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 2.67Å
22R50.8Low45.9Very low238 Ų238152.7 Ų152.790%0.89878%0.78SS**  trans-48.7101.7173.4-97.2179.9169.8-166.2-2.8107.3E20 V24E20-R22 VanDerWaalsContact C-N 3.27Å; E20-R22 PolarHBondContact O-N 3.32Å; R22-V24 PolarHBondContact O-N 2.77Å
23A43.6Very low46.8Very low71 Ų71145.1 Ų145.159%0.58777%0.768SS**  trans-65.2106.7170.600000105.7R21 H25R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 2.67Å; A23-H25 VanDerWaalsContact C-N 3.33Å; A23-H25 PolarHBondContact O-N 3.46Å; A23-H25 PolarHBondContact O-ND1 3.3Å
24V49.3Very low48.1Very low128 Ų128141.1 Ų141.178%0.77675%0.748SS**  trans-66.5100173.71790000106R22 S26R22-V24 PolarHBondContact O-N 2.77Å; V24-S26 VanDerWaalsContact C-N 3.29Å; V24-S26 PolarHBondContact O-N 3.37Å
25H47.8Very low49.4Very low149 Ų149139 Ų13969%0.6973%0.734SS**  trans-74.390172.4-70.275.1000107.1A23A23-H25 VanDerWaalsContact C-N 3.33Å; A23-H25 PolarHBondContact O-N 3.46Å; A23-H25 PolarHBondContact O-ND1 3.3Å
26S52.6Low51.2Low106 Ų106140.5 Ų140.574%0.74173%0.73SS**  trans-83.4117.7174.5590000109.4V24V24-S26 VanDerWaalsContact C-N 3.29Å; V24-S26 PolarHBondContact O-N 3.37Å
27W44.2Very low53.1Low236 Ų236132 Ų13289%0.89470%0.696SS**  trans-100.3121.3171.1-62.887.3000108.8
28S52.1Low54.7Low98 Ų98129.9 Ų129.969%0.68567%0.671SS**  trans-109.2125.7172.256.10000109.9I30S28-I30 PolarHBondContact O-N 3.3Å
29R57.5Low56.4Low254 Ų254127.2 Ų127.296%0.95866%0.657SS**  trans-82.3112.1169.3-65.1177.487.6133.20.6107.9
30I56.8Low58Low103 Ų103122.8 Ų122.853%0.52864%0.638SS.*  trans-90.3116.2176.4-52.1167.2000106.1S28 L38S28-I30 PolarHBondContact O-N 3.3Å; I30-L38 HydrophobicContact CD1-CD1 3.81Å; I30-L38 HydrophobicContact CD1-CD2 3.78Å; I30-L38 HydrophobicContact CD1-CG 4.39Å
31S55.2Low59.3Low104 Ų104114.9 Ų114.973%0.72760%0.602SS**  trans-62137.2166.8-62.20000107.7A33S31-A33 PolarHBondContact O-N 3.21Å
32S52.4Low60.6Low125 Ų125108.5 Ų108.587%0.87458%0.584SS**  trans-63.964.8179.7173.90000112.2G34S32-G34 PolarHBondContact O-N 2.92Å; S32-G34 VanDerWaalsContact O-N 3.15Å
33A57.7Low61.7Low76 Ų76103.1 Ų103.163%0.62857%0.567SS**SBendtrans-78.221.7170.600000111.6S31 V37S31-A33 PolarHBondContact O-N 3.21Å; A33-V37 WeakPolarHBondContact O-CG2 3.41Å
34G65.4Low63Low36 Ų36103.3 Ų103.337%0.37156%0.557SS.*  trans92.1128.9-175.800000112.4S32 N36 V37S32-G34 PolarHBondContact O-N 2.92Å; S32-G34 VanDerWaalsContact O-N 3.15Å; G34-N36 PolarHBondContact O-N 2.92Å; G34-V37 PolarHBondContact O-N 2.82Å; G34-V37 VanDerWaalsContact O-N 3.09Å
35Q68.1Low63.7Low124 Ų124102.5 Ų102.558%0.57955%0.548SS*.Hα-helixtrans-50.1-30.8175179.963.516.800112.6V37 L38 L39Q35-V37 PolarHBondContact O-N 3.05Å; Q35-L38 PolarHBondContact O-N 2.77Å; Q35-L39 HydrophobicContact CG-CD1 4.2Å; Q35-L39 HydrophobicContact CG-CG 4.49Å; Q35-L39 WeakPolarHBondContact O-CG 3.3Å; Q35-L39 PolarHBondContact O-N 3.28Å
36N76.3Confident64.2Low113 Ų11399.2 Ų99.260%0.60454%0.542SS*.Hα-helixtrans-65.4-37.8-178.4-57.6-20.4000112.6G34 L38 L39 D40G34-N36 PolarHBondContact O-N 2.92Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 PolarHBondContact O-N 2.8Å; N36-L39 PolarHBondContact O-N 2.92Å; N36-D40 WeakPolarHBondContact O-CB 3.05Å; N36-D40 VanDerWaalsContact O-CG 3.32Å; N36-D40 PolarHBondContact O-N 2.91Å
37V74.7Confident64.5Low35 Ų3599.3 Ų99.321%0.21254%0.54CS..Hα-helixtrans-66.9-35.8179.6-178.40000110.9A33 G34 Q35 A41 I189A33-V37 WeakPolarHBondContact O-CG2 3.41Å; G34-V37 PolarHBondContact O-N 2.82Å; G34-V37 VanDerWaalsContact O-N 3.09Å; Q35-V37 PolarHBondContact O-N 3.05Å; V37-A41 WeakPolarHBondContact O-CB 3.37Å; V37-A41 PolarHBondContact O-N 3.13Å; V37-I189 HydrophobicContact CG1-CB 4.08Å; V37-I189 HydrophobicContact CG1-CD1 3.89Å; V37-I189 HydrophobicContact CG1-CG2 3.75Å
38L73.8Confident65.1Low49 Ų4996.4 Ų96.426%0.25754%0.538SS..Hα-helixtrans-68-44.7172.9177.460.4000111.4I30 Q35 N36 D40 A41 L42I30-L38 HydrophobicContact CD1-CD1 3.81Å; I30-L38 HydrophobicContact CD1-CD2 3.78Å; I30-L38 HydrophobicContact CD1-CG 4.39Å; Q35-L38 PolarHBondContact O-N 2.77Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 PolarHBondContact O-N 2.8Å; L38-D40 VanDerWaalsContact C-N 3.3Å; L38-D40 PolarHBondContact O-N 2.8Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-L42 HydrophobicContact CD1-CD1 4.42Å; L38-L42 HydrophobicContact CD1-CG 4.31Å; L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 2.89Å
39L75.2Confident65.3Low80 Ų8096.7 Ų96.742%0.41954%0.54SS..Hα-helixtrans-61.9-39.6177.1-69.7174.2000111.6Q35 N36 L42 K43Q35-L39 HydrophobicContact CG-CD1 4.2Å; Q35-L39 HydrophobicContact CG-CG 4.49Å; Q35-L39 WeakPolarHBondContact O-CG 3.3Å; Q35-L39 PolarHBondContact O-N 3.28Å; N36-L39 PolarHBondContact O-N 2.92Å; L39-L42 PolarHBondContact O-N 3.16Å; L39-K43 WeakPolarHBondContact O-CG 3.47Å; L39-K43 PolarHBondContact O-N 3.2Å
40D74.7Confident65.6Low67 Ų6792.6 Ų92.636%0.35853%0.525SS..Hα-helixtrans-66.8-40.7175.5-71.7-20.6000111.8N36 L38 L42 K43 I44N36-D40 WeakPolarHBondContact O-CB 3.05Å; N36-D40 VanDerWaalsContact O-CG 3.32Å; N36-D40 PolarHBondContact O-N 2.91Å; L38-D40 VanDerWaalsContact C-N 3.3Å; L38-D40 PolarHBondContact O-N 2.8Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 3.03Å; D40-K43 WeakPolarHBondContact O-CB 3.36Å; D40-K43 PolarHBondContact O-N 3.05Å; D40-K43 IonicContact OD1-NZ 3.73Å; D40-K43 PolarHBondContact OD1-NZ 3.36Å; D40-I44 PolarHBondContact O-N 3.44Å
41A73.4Confident66Low5 Ų594.9 Ų94.94%0.04154%0.538CS..Hα-helixtrans-62.5-37.3171.800000112.9V37 L38 K43 I44 L45 L171 I189V37-A41 WeakPolarHBondContact O-CB 3.37Å; V37-A41 PolarHBondContact O-N 3.13Å; L38-A41 PolarHBondContact O-N 2.94Å; A41-K43 VanDerWaalsContact C-N 3.33Å; A41-I44 WeakPolarHBondContact O-CB 3.3Å; A41-I44 PolarHBondContact O-N 3.05Å; A41-L45 PolarHBondContact O-N 2.77Å; A41-L171 HydrophobicContact CB-CD2 3.74Å; A41-I189 HydrophobicContact CB-CD1 3.62Å; A41-I189 HydrophobicContact CB-CG1 4.03Å; A41-I189 HydrophobicContact CB-CG2 4.41Å
42L70.9Confident66.7Low82 Ų8292.9 Ų92.943%0.42952%0.519SS..Hα-helixtrans-68.6-31.2175.9-71.1173.4000112.2L38 L39 D40 I44 L45 S46L38-L42 HydrophobicContact CD1-CD1 4.42Å; L38-L42 HydrophobicContact CD1-CG 4.31Å; L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 2.89Å; L39-L42 PolarHBondContact O-N 3.16Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 3.03Å; L42-I44 VanDerWaalsContact C-N 3.25Å; L42-I44 PolarHBondContact O-N 3.25Å; L42-L45 HydrophobicContact CD2-CD1 4.45Å; L42-L45 PolarHBondContact O-N 2.85Å; L42-S46 PolarHBondContact O-N 3.14Å
43K73.6Confident67.3Low124 Ų12491.9 Ų91.954%0.53951%0.512SS..Hα-helixtrans-61.4-34.6171.6-69.6171.1-170.3160.50112L39 D40 A41 S46 P47L39-K43 WeakPolarHBondContact O-CG 3.47Å; L39-K43 PolarHBondContact O-N 3.2Å; D40-K43 WeakPolarHBondContact O-CB 3.36Å; D40-K43 PolarHBondContact O-N 3.05Å; D40-K43 IonicContact OD1-NZ 3.73Å; D40-K43 PolarHBondContact OD1-NZ 3.36Å; A41-K43 VanDerWaalsContact C-N 3.33Å; K43-S46 CarbonylContact O-C 3.23Å; K43-S46 VanDerWaalsContact O-C 3.23Å; K43-P47 WeakPolarHBondContact O-CA 3.38Å
44I71.1Confident68Low75 Ų7590.8 Ų90.839%0.38550%0.499SS..Hα-helixtrans-66.7-39.6175.4-58167.8000110.6D40 A41 L42 P169 L171D40-I44 PolarHBondContact O-N 3.44Å; A41-I44 WeakPolarHBondContact O-CB 3.3Å; A41-I44 PolarHBondContact O-N 3.05Å; L42-I44 VanDerWaalsContact C-N 3.25Å; L42-I44 PolarHBondContact O-N 3.25Å; I44-P169 HydrophobicContact CD1-CB 4.4Å; I44-P169 HydrophobicContact CD1-CG 4.43Å; I44-P169 VanDerWaalsContact CD1-O 3.29Å; I44-P169 WeakPolarHBondContact CD1-O 3.22Å; I44-L171 HydrophobicContact CB-CD1 4.28Å; I44-L171 HydrophobicContact CD1-CD2 4.26Å; I44-L171 HydrophobicContact CD1-CG 4.01Å; I44-L171 HydrophobicContact CG2-CD1 4.18Å; I44-L171 HydrophobicContact CG2-CG 4.42Å
45L64.6Low68.7Low112 Ų11294.4 Ų94.459%0.58651%0.514SS*.Hα-helixtrans-80.7-20.7-179-63.6177.5000113.6A41 L42 L171A41-L45 PolarHBondContact O-N 2.77Å; L42-L45 HydrophobicContact CD2-CD1 4.45Å; L42-L45 PolarHBondContact O-N 2.85Å; L45-L171 HydrophobicContact CD1-CD1 4.34Å; L45-L171 HydrophobicContact CD2-CD1 3.85Å; L45-L171 HydrophobicContact CG-CD1 3.9Å
46S57.5Low69.5Low80 Ų8096 Ų9656%0.55952%0.522SS*.SBendtrans-140.175-179.5-66.30000108.3L42 K43 M48L42-S46 PolarHBondContact O-N 3.14Å; K43-S46 CarbonylContact O-C 3.23Å; K43-S46 VanDerWaalsContact O-C 3.23Å; S46-M48 PolarHBondContact O-N 2.83Å
47P59.9Low69.8Low107 Ų10794.6 Ų94.670%0.69551%0.512SS*.  trans-57113.4175.123-31.7000107.5K43 S49K43-P47 WeakPolarHBondContact O-CA 3.38Å; P47-S49 PolarHBondContact O-N 3Å
48M55.4Low70.2Confident175 Ų17594.1 Ų94.186%0.86251%0.508SS*.PPolyproline II helixtrans-59.4128.1-179.7-83.2-176.216100108.7S46 R50S46-M48 PolarHBondContact O-N 2.83Å; M48-R50 PolarHBondContact O-N 3.36Å
49S56.7Low70.8Confident104 Ų10496.1 Ų96.173%0.72752%0.522SS*.PPolyproline II helixtrans-61120169.751.70000108.5P47 D51P47-S49 PolarHBondContact O-N 3Å; S49-D51 PolarHBondContact O-N 3.39Å
50R63.5Low71.4Confident168 Ų16896 Ų9663%0.63452%0.524SS*.PPolyproline II helixtrans-67.1123.6169.3-75.4-176.8179.8171.12.9108.3M48 L52 E64M48-R50 PolarHBondContact O-N 3.36Å; R50-L52 HydrophobicContact CB-CD2 4.44Å; R50-L52 PolarHBondContact O-N 2.85Å; R50-E64 IonicContact NH1-OE2 3.28Å; R50-E64 PolarHBondContact NH1-OE2 3.43Å
51D65.8Low71.9Confident151 Ų15194.8 Ų94.881%0.80752%0.516SS*.  trans-76.4102.3171.4-72.6-30.1000108.6S49 S53S49-D51 PolarHBondContact O-N 3.39Å; D51-S53 PolarHBondContact O-N 2.95Å
52L70.3Confident72.6Confident62 Ų6296.1 Ų96.133%0.32552%0.522SS..  trans-82.9110.9179-58168.3000108.6R50 E57 L58 F61 I338R50-L52 HydrophobicContact CB-CD2 4.44Å; R50-L52 PolarHBondContact O-N 2.85Å; L52-E57 HydrophobicContact CD2-CB 4.21Å; L52-L58 HydrophobicContact CD1-CB 4.45Å; L52-L58 HydrophobicContact CD1-CD1 3.69Å; L52-F61 HydrophobicContact CD1-CB 4.05Å; L52-F61 HydrophobicContact CD1-CD1 3.57Å; L52-F61 HydrophobicContact CD1-CE1 4.21Å; L52-F61 HydrophobicContact CD1-CG 3.9Å; L52-F61 HydrophobicContact CD2-CB 3.93Å; L52-F61 HydrophobicContact CD2-CG 4.21Å; L52-I338 HydrophobicContact CD1-CD1 4.49Å
53S65.3Low73.4Confident104 Ų10497 Ų9773%0.72752%0.524SS*.  trans-94-24.6-169.873.20000112.9D51 E57D51-S53 PolarHBondContact O-N 2.95Å; S53-E57 PolarHBondContact N-OE2 2.99Å; S53-E57 PolarHBondContact OG-OE1 3.38Å; S53-E57 PolarHBondContact OG-OE2 2.82Å
54C71.9Confident74.1Confident54 Ų5494.2 Ų94.237%0.36551%0.513SS..SBendtrans-129.2162.6179.377.20000113.6E56 E57 L58C54-E56 VanDerWaalsContact C-N 3.3Å; C54-E56 PolarHBondContact O-N 3.1Å; C54-E57 PolarHBondContact N-OE2 3.11Å; C54-E57 WeakPolarHBondContact SG-CG 3.24Å; C54-E57 PolarHBondContact SG-N 3.25Å; C54-E57 VanDerWaalsContact SG-N 3.36Å; C54-E57 PolarHBondContact SG-OE1 2.66Å; C54-L58 PolarHBondContact O-N 3.22Å
55T80Confident74.7Confident112 Ų11291.2 Ų91.269%0.68750%0.497SS*.Hα-helixtrans-67.4-31.3-178.9-51.40000112.3L58 V59T55-L58 PolarHBondContact O-N 2.98Å; T55-V59 WeakPolarHBondContact O-CG2 3.35Å; T55-V59 PolarHBondContact O-N 3.34Å; T55-V59 VanDerWaalsContact O-N 3.12Å
56E84.8Confident75.6Confident158 Ų15888.3 Ų88.374%0.73849%0.487SS*.Hα-helixtrans-67.8-47.7177.8-63.6178.7-17400111C54 L58 V59 T60C54-E56 VanDerWaalsContact C-N 3.3Å; C54-E56 PolarHBondContact O-N 3.1Å; E56-L58 PolarHBondContact O-N 3.49Å; E56-V59 PolarHBondContact O-N 3.17Å; E56-V59 VanDerWaalsContact O-N 3.08Å; E56-T60 PolarHBondContact O-N 2.8Å; E56-T60 PolarHBondContact O-OG1 3.07Å
57E82.5Confident76.9Confident83 Ų8391.1 Ų91.139%0.38849%0.491SS..Hα-helixtrans-55.3-39.9172.7-78.4161.8-156.400112.2L52 S53 C54 F61L52-E57 HydrophobicContact CD2-CB 4.21Å; S53-E57 PolarHBondContact N-OE2 2.99Å; S53-E57 PolarHBondContact OG-OE1 3.38Å; S53-E57 PolarHBondContact OG-OE2 2.82Å; C54-E57 PolarHBondContact N-OE2 3.11Å; C54-E57 WeakPolarHBondContact SG-CG 3.24Å; C54-E57 PolarHBondContact SG-N 3.25Å; C54-E57 VanDerWaalsContact SG-N 3.36Å; C54-E57 PolarHBondContact SG-OE1 2.66Å; E57-F61 VanDerWaalsContact O-CB 3.27Å; E57-F61 WeakPolarHBondContact O-CB 3.12Å; E57-F61 PolarHBondContact O-N 3.22Å
58L84.3Confident78.1Confident25 Ų2591.6 Ų91.613%0.13148%0.484CS..Hα-helixtrans-64.2-42176.8174.863.6000112.2L52 C54 T55 E56 F61 L62 P336 I338L52-L58 HydrophobicContact CD1-CB 4.45Å; L52-L58 HydrophobicContact CD1-CD1 3.69Å; C54-L58 PolarHBondContact O-N 3.22Å; T55-L58 PolarHBondContact O-N 2.98Å; E56-L58 PolarHBondContact O-N 3.49Å; L58-F61 PolarHBondContact O-N 3.06Å; L58-L62 HydrophobicContact CD1-CD1 4.08Å; L58-L62 HydrophobicContact CD1-CG 4.16Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 WeakPolarHBondContact O-CB 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.5Å; L58-L62 PolarHBondContact O-N 3.46Å; L58-P336 HydrophobicContact CD2-CG 4.27Å; L58-I338 HydrophobicContact CD1-CD1 3.53Å; L58-I338 HydrophobicContact CD1-CG1 4.46Å
59V85.7Confident79.2Confident91 Ų9184.8 Ų84.855%0.55246%0.459SS*.Hα-helixtrans-66.5-45.4178.91730000110.3T55 E56 F61 L62 Q63T55-V59 WeakPolarHBondContact O-CG2 3.35Å; T55-V59 PolarHBondContact O-N 3.34Å; T55-V59 VanDerWaalsContact O-N 3.12Å; E56-V59 PolarHBondContact O-N 3.17Å; E56-V59 VanDerWaalsContact O-N 3.08Å; V59-F61 VanDerWaalsContact C-N 3.33Å; V59-F61 PolarHBondContact O-N 3.32Å; V59-L62 PolarHBondContact O-N 2.99Å; V59-Q63 WeakPolarHBondContact O-CB 3.37Å; V59-Q63 PolarHBondContact O-N 2.67Å
60T87.6Confident80.4Confident77 Ų7782.2 Ų82.247%0.47244%0.435SS..Hα-helixtrans-60.1-44175.9-51.70000111.3E56 L62 Q63 E64E56-T60 PolarHBondContact O-N 2.8Å; E56-T60 PolarHBondContact O-OG1 3.07Å; T60-L62 PolarHBondContact O-N 2.98Å; T60-Q63 WeakPolarHBondContact O-CB 3.44Å; T60-Q63 PolarHBondContact O-N 2.93Å; T60-Q63 VanDerWaalsContact O-N 3.17Å; T60-E64 WeakPolarHBondContact O-CG 3.27Å; T60-E64 PolarHBondContact O-N 2.92Å
61F85.9Confident81.3Confident42 Ų4282.8 Ų82.818%0.18444%0.437CS..Hα-helixtrans-62.8-41.4177.1175.1-106.8000113.2L52 E57 L58 V59 Q63 E64 L65 I338L52-F61 HydrophobicContact CD1-CB 4.05Å; L52-F61 HydrophobicContact CD1-CD1 3.57Å; L52-F61 HydrophobicContact CD1-CE1 4.21Å; L52-F61 HydrophobicContact CD1-CG 3.9Å; L52-F61 HydrophobicContact CD2-CB 3.93Å; L52-F61 HydrophobicContact CD2-CG 4.21Å; E57-F61 VanDerWaalsContact O-CB 3.27Å; E57-F61 WeakPolarHBondContact O-CB 3.12Å; E57-F61 PolarHBondContact O-N 3.22Å; L58-F61 PolarHBondContact O-N 3.06Å; V59-F61 VanDerWaalsContact C-N 3.33Å; V59-F61 PolarHBondContact O-N 3.32Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 2.77Å; F61-E64 PolarHBondContact O-N 2.8Å; F61-L65 HydrophobicContact CD1-CD1 4.02Å; F61-L65 HydrophobicContact CE1-CD1 3.39Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CE2-CD1 4.24Å; F61-L65 HydrophobicContact CE2-CD2 4.33Å; F61-L65 HydrophobicContact CE2-CG 4.11Å; F61-L65 HydrophobicContact CZ-CD1 3.53Å; F61-L65 HydrophobicContact CZ-CD2 4.17Å; F61-L65 HydrophobicContact CZ-CG 3.9Å; F61-L65 WeakPolarHBondContact O-CG 3.41Å; F61-L65 PolarHBondContact O-N 2.88Å; F61-I338 HydrophobicContact CD1-CD1 4.12Å; F61-I338 HydrophobicContact CE1-CD1 3.98Å
62L88.2Confident82.3Confident32 Ų3277.2 Ų77.217%0.16841%0.409CS..Hα-helixtrans-65.5-34.2175.9-69.7169.4000111.7L58 V59 T60 S66 P72 I74 I338L58-L62 HydrophobicContact CD1-CD1 4.08Å; L58-L62 HydrophobicContact CD1-CG 4.16Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 WeakPolarHBondContact O-CB 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.5Å; L58-L62 PolarHBondContact O-N 3.46Å; V59-L62 PolarHBondContact O-N 2.99Å; T60-L62 PolarHBondContact O-N 2.98Å; L62-S66 WeakPolarHBondContact O-CB 3.46Å; L62-S66 PolarHBondContact O-N 3.34Å; L62-S66 VanDerWaalsContact O-N 3.1Å; L62-P72 HydrophobicContact CD2-CB 3.57Å; L62-P72 HydrophobicContact CD2-CG 3.88Å; L62-I74 HydrophobicContact CD1-CD1 3.81Å; L62-I74 HydrophobicContact CD1-CG1 4.15Å; L62-I338 HydrophobicContact CD2-CD1 4.05Å; L62-I338 HydrophobicContact CD2-CG1 4.42Å; L62-I338 HydrophobicContact CD2-CG2 3.92Å
63Q87.3Confident82.9Confident101 Ų10177.2 Ų77.247%0.47241%0.412SS..Hα-helixtrans-67.4-49.2174.6-178.261.137.700110.9V59 T60 F61 L65 S66 E67V59-Q63 WeakPolarHBondContact O-CB 3.37Å; V59-Q63 PolarHBondContact O-N 2.67Å; T60-Q63 WeakPolarHBondContact O-CB 3.44Å; T60-Q63 PolarHBondContact O-N 2.93Å; T60-Q63 VanDerWaalsContact O-N 3.17Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 2.77Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.79Å; Q63-S66 WeakPolarHBondContact O-CA 3.5Å; Q63-S66 WeakPolarHBondContact O-CB 3.49Å; Q63-S66 PolarHBondContact O-N 2.82Å; Q63-S66 PolarHBondContact O-OG 3.13Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.46Å; Q63-E67 PolarHBondContact NE2-OE1 2.88Å; Q63-E67 WeakPolarHBondContact O-CG 3.43Å; Q63-E67 PolarHBondContact O-N 2.98Å
64E87.1Confident83.9Confident65 Ų6576.6 Ų76.630%0.30440%0.399SS..Hα-helixtrans-52.9-50173.8-73.9172.6-162.400111R50 T60 F61 S66 E67 E68R50-E64 IonicContact NH1-OE2 3.28Å; R50-E64 PolarHBondContact NH1-OE2 3.43Å; T60-E64 WeakPolarHBondContact O-CG 3.27Å; T60-E64 PolarHBondContact O-N 2.92Å; F61-E64 PolarHBondContact O-N 2.8Å; E64-S66 PolarHBondContact O-N 3.05Å; E64-E67 WeakPolarHBondContact O-CB 3.42Å; E64-E67 PolarHBondContact O-N 3.44Å; E64-E67 VanDerWaalsContact O-N 3.11Å; E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.43Å
65L85.4Confident84.4Confident12 Ų1276 Ų766%0.06339%0.393CS..Hα-helixtrans-59.5-35.4176.7-74.4-179.5000112.9F61 Q63 G69 H70 P72 I340F61-L65 HydrophobicContact CD1-CD1 4.02Å; F61-L65 HydrophobicContact CE1-CD1 3.39Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CE2-CD1 4.24Å; F61-L65 HydrophobicContact CE2-CD2 4.33Å; F61-L65 HydrophobicContact CE2-CG 4.11Å; F61-L65 HydrophobicContact CZ-CD1 3.53Å; F61-L65 HydrophobicContact CZ-CD2 4.17Å; F61-L65 HydrophobicContact CZ-CG 3.9Å; F61-L65 WeakPolarHBondContact O-CG 3.41Å; F61-L65 PolarHBondContact O-N 2.88Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.79Å; L65-G69 PolarHBondContact O-N 2.84Å; L65-H70 HydrophobicContact CB-CB 4.46Å; L65-H70 WeakPolarHBondContact O-CA 3.4Å; L65-H70 VanDerWaalsContact O-CB 3.27Å; L65-H70 WeakPolarHBondContact O-CB 3.37Å; L65-H70 PolarHBondContact O-N 2.97Å; L65-P72 HydrophobicContact CB-CB 4.49Å; L65-P72 HydrophobicContact CB-CG 4.1Å; L65-P72 HydrophobicContact CD1-CB 3.98Å; L65-P72 HydrophobicContact CD1-CG 4.43Å; L65-I340 HydrophobicContact CD1-CD1 3.64Å; L65-I340 HydrophobicContact CD1-CG1 3.96Å; L65-I340 HydrophobicContact CD2-CD1 4.15Å
66S81.8Confident84.4Confident52 Ų5278 Ų7836%0.36439%0.387SS..Hα-helixtrans-72.2-33.8178.177.50000112.6L62 Q63 E64 G69L62-S66 WeakPolarHBondContact O-CB 3.46Å; L62-S66 PolarHBondContact O-N 3.34Å; L62-S66 VanDerWaalsContact O-N 3.1Å; Q63-S66 WeakPolarHBondContact O-CA 3.5Å; Q63-S66 WeakPolarHBondContact O-CB 3.49Å; Q63-S66 PolarHBondContact O-N 2.82Å; Q63-S66 PolarHBondContact O-OG 3.13Å; E64-S66 PolarHBondContact O-N 3.05Å; S66-G69 WeakPolarHBondContact O-CA 3.4Å; S66-G69 PolarHBondContact O-N 3.45Å
67E85.9Confident84Confident139 Ų13972.5 Ų72.565%0.6537%0.367SS*.Hα-helixtrans-70.6-37.5175.5-71.4169-170.200111.4Q63 E64 G69Q63-E67 WeakPolarHBondContact CG-OE1 3.46Å; Q63-E67 PolarHBondContact NE2-OE1 2.88Å; Q63-E67 WeakPolarHBondContact O-CG 3.43Å; Q63-E67 PolarHBondContact O-N 2.98Å; E64-E67 WeakPolarHBondContact O-CB 3.42Å; E64-E67 PolarHBondContact O-N 3.44Å; E64-E67 VanDerWaalsContact O-N 3.11Å; E67-G69 PolarHBondContact O-N 3.17Å; E67-G69 VanDerWaalsContact O-N 3.13Å
68E83.9Confident83.8Confident116 Ų11673 Ų7354%0.54237%0.368SS..THydrogen-bonded Turntrans-64.3-11.1168.4-68.6173.8-167.700112.4E64 H70 L343E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.43Å; E68-H70 IonicContact OE2-CD2 3.73Å; E68-L343 VanDerWaalsContact O-CD1 3.24Å; E68-L343 WeakPolarHBondContact O-CD1 3.44Å
69G79.8Confident83.7Confident32 Ų3275.4 Ų75.433%0.3338%0.38SS..THydrogen-bonded Turntrans90.85176.900000114.3L65 S66 E67 L343L65-G69 PolarHBondContact O-N 2.84Å; S66-G69 WeakPolarHBondContact O-CA 3.4Å; S66-G69 PolarHBondContact O-N 3.45Å; E67-G69 PolarHBondContact O-N 3.17Å; E67-G69 VanDerWaalsContact O-N 3.13Å; G69-L343 WeakPolarHBondContact O-CD2 3.39Å; G69-L343 WeakPolarHBondContact O-CG 3.37Å
70H81.3Confident83.5Confident51 Ų5173.4 Ų73.424%0.23637%0.368CS..  trans-73.3154.1172.1-64.7-71.1000111.5L65 E68 P72 I340 Q341L65-H70 HydrophobicContact CB-CB 4.46Å; L65-H70 WeakPolarHBondContact O-CA 3.4Å; L65-H70 VanDerWaalsContact O-CB 3.27Å; L65-H70 WeakPolarHBondContact O-CB 3.37Å; L65-H70 PolarHBondContact O-N 2.97Å; E68-H70 IonicContact OE2-CD2 3.73Å; H70-P72 WeakPolarHBondContact O-CD 3.43Å; H70-I340 HydrophobicContact CB-CG2 3.77Å; H70-Q341 PolarHBondContact ND1-O 3.23Å
71R83.2Confident83Confident180 Ų18074.3 Ų74.368%0.67936%0.364SS*.EExtended strand (participates in β ladder)trans-107.987.2174-64.4-179.670.3178.93109.7Q341R71-Q341 HydrophobicContact CB-CB 4.24Å; R71-Q341 PolarHBondContact O-N 3.45Å
72P85.5Confident82.6Confident33 Ų3377.4 Ų77.421%0.21439%0.389CS..EExtended strand (participates in β ladder)trans-75.1134.6177.431.6-35000110.6L62 L65 H70 I338 Q339L62-P72 HydrophobicContact CD2-CB 3.57Å; L62-P72 HydrophobicContact CD2-CG 3.88Å; L65-P72 HydrophobicContact CB-CB 4.49Å; L65-P72 HydrophobicContact CB-CG 4.1Å; L65-P72 HydrophobicContact CD1-CB 3.98Å; L65-P72 HydrophobicContact CD1-CG 4.43Å; H70-P72 WeakPolarHBondContact O-CD 3.43Å; P72-I338 HydrophobicContact CB-CG2 3.82Å; P72-Q339 CarbonylContact C-O 3.57Å; P72-Q339 WeakPolarHBondContact CA-O 3.2Å
73T84.4Confident81.9Confident63 Ų6380.8 Ų80.839%0.38740%0.401SS..EExtended strand (participates in β ladder)trans-125121.7175.3-53.90000109.4L75 Q339T73-L75 PolarHBondContact O-N 3.45Å; T73-Q339 PolarHBondContact N-O 3.28Å; T73-Q339 PolarHBondContact O-N 2.98Å
74I85.6Confident80.4Confident90 Ų9087.8 Ų87.846%0.46242%0.423SS..EExtended strand (participates in β ladder)trans-73.6113.2172.6-54.7175.8000108L62 P336L62-I74 HydrophobicContact CD1-CD1 3.81Å; L62-I74 HydrophobicContact CD1-CG1 4.15Å; I74-P336 HydrophobicContact CG2-CB 4.44Å
75L82.2Confident79Confident43 Ų4386.7 Ų86.723%0.22542%0.422CS..EExtended strand (participates in β ladder)trans-74.2137177.1-62.7-176.8000110.4T73 D79 V80 V337 Q339T73-L75 PolarHBondContact O-N 3.45Å; L75-D79 HydrophobicContact CD2-CB 4.48Å; L75-V80 HydrophobicContact CB-CG2 3.61Å; L75-V80 HydrophobicContact CD1-CG2 4.1Å; L75-V337 HydrophobicContact CB-CB 4.36Å; L75-V337 HydrophobicContact CD1-CG1 4.02Å; L75-V337 PolarHBondContact N-O 2.89Å; L75-Q339 HydrophobicContact CD1-CB 4.18Å; L75-Q339 HydrophobicContact CD2-CB 4.1Å; L75-Q339 HydrophobicContact CG-CB 4.05Å
76R80.6Confident77.4Confident153 Ų15390.3 Ų90.358%0.57745%0.448SS*.  trans-77.3157.4172.3-52.6175.2-59.1178.81.2109.1K78 D79 V80R76-K78 PolarHBondContact O-N 2.94Å; R76-D79 VanDerWaalsContact CB-OD2 3.29Å; R76-D79 WeakPolarHBondContact CB-OD2 3.5Å; R76-D79 IonicContact CZ-OD1 3.7Å; R76-D79 IonicContact CZ-OD2 2.89Å; R76-D79 PolarHBondContact N-OD2 3.16Å; R76-D79 IonicContact NE-OD1 2.94Å; R76-D79 IonicContact NE-OD2 3.16Å; R76-D79 PolarHBondContact NE-OD2 3.25Å; R76-D79 IonicContact NH2-OD1 3.54Å; R76-D79 PolarHBondContact NH2-OD1 2.81Å; R76-D79 VanDerWaalsContact NH2-OD1 3.16Å; R76-D79 IonicContact NH2-OD2 3.99Å; R76-D79 WeakPolarHBondContact O-CA 3.29Å; R76-D79 PolarHBondContact O-N 2.85Å; R76-V80 PolarHBondContact O-N 3.31Å; R76-V80 VanDerWaalsContact O-N 3.08Å
77S75.7Confident76Confident43 Ų4393.6 Ų93.630%0.30147%0.466SS..Hα-helixtrans-51.6-34.1174.854.40000113.3Y81 Y83S77-Y81 WeakPolarHBondContact O-CB 3.38Å; S77-Y81 WeakPolarHBondContact O-CD2 3.41Å; S77-Y81 PolarHBondContact O-N 2.85Å; S77-Y83 VanDerWaalsContact C-CE1 3.47Å; S77-Y83 WeakPolarHBondContact O-CE1 3.4Å; S77-Y83 PolarHBondContact OG-OH 2.87Å
78K78.3Confident74.2Confident94 Ų9491 Ų9141%0.40946%0.463SS..Hα-helixtrans-64.3-41.3175-176.7-175.5176.4-170.90112.2R76 V80 C82 Y83R76-K78 PolarHBondContact O-N 2.94Å; K78-V80 VanDerWaalsContact C-N 3.33Å; K78-C82 WeakPolarHBondContact O-CA 3.21Å; K78-C82 PolarHBondContact O-N 3.08Å; K78-Y83 HydrophobicContact CB-CE1 4.43Å
79D82.3Confident72.7Confident75 Ų7592.4 Ų92.440%0.40147%0.473SS..Hα-helixtrans-75.6-29.3-175.3-48.5-41.8000110.1L75 R76L75-D79 HydrophobicContact CD2-CB 4.48Å; R76-D79 VanDerWaalsContact CB-OD2 3.29Å; R76-D79 WeakPolarHBondContact CB-OD2 3.5Å; R76-D79 IonicContact CZ-OD1 3.7Å; R76-D79 IonicContact CZ-OD2 2.89Å; R76-D79 PolarHBondContact N-OD2 3.16Å; R76-D79 IonicContact NE-OD1 2.94Å; R76-D79 IonicContact NE-OD2 3.16Å; R76-D79 PolarHBondContact NE-OD2 3.25Å; R76-D79 IonicContact NH2-OD1 3.54Å; R76-D79 PolarHBondContact NH2-OD1 2.81Å; R76-D79 VanDerWaalsContact NH2-OD1 3.16Å; R76-D79 IonicContact NH2-OD2 3.99Å; R76-D79 WeakPolarHBondContact O-CA 3.29Å; R76-D79 PolarHBondContact O-N 2.85Å
80V81.6Confident71Confident49 Ų4996.1 Ų96.130%0.29749%0.491SS..Hα-helixtrans-80.4-45.5175.5-178.60000112.9L75 R76 K78 V337L75-V80 HydrophobicContact CB-CG2 3.61Å; L75-V80 HydrophobicContact CD1-CG2 4.1Å; R76-V80 PolarHBondContact O-N 3.31Å; R76-V80 VanDerWaalsContact O-N 3.08Å; K78-V80 VanDerWaalsContact C-N 3.33Å; V80-V337 HydrophobicContact CG1-CG2 4.16Å; V80-V337 HydrophobicContact CG2-CB 3.84Å; V80-V337 HydrophobicContact CG2-CG1 4.29Å; V80-V337 HydrophobicContact CG2-CG2 3.89Å
81Y77.7Confident69.3Low96 Ų9699.6 Ų99.638%0.37651%0.51SS..Hα-helixtrans-107.51.7-170.5-65.1-69.5000114.3S77 Y83 V332 N333S77-Y81 WeakPolarHBondContact O-CB 3.38Å; S77-Y81 WeakPolarHBondContact O-CD2 3.41Å; S77-Y81 PolarHBondContact O-N 2.85Å; Y81-Y83 PolarHBondContact O-N 3.05Å; Y81-V332 HydrophobicContact CD1-CG1 4.34Å; Y81-V332 HydrophobicContact CE1-CB 4.23Å; Y81-V332 HydrophobicContact CE1-CG1 4.39Å; Y81-V332 HydrophobicContact CE2-CB 4.32Å; Y81-N333 WeakPolarHBondContact CE2-O 3.5Å; Y81-N333 VanDerWaalsContact CZ-O 3.24Å; Y81-N333 PolarHBondContact OH-O 3.24Å
82C76.6Confident67.9Low107 Ų10795.5 Ų95.572%0.72350%0.504SS*.  trans51.828.3173-63.20000115.5K78K78-C82 WeakPolarHBondContact O-CA 3.21Å; K78-C82 PolarHBondContact O-N 3.08Å
83Y72.8Confident66.5Low103 Ų103100 Ų10040%0.40452%0.523SS..  trans-79.7145.6178.965.5-91.4000111.9S77 K78 Y81 S85S77-Y83 VanDerWaalsContact C-CE1 3.47Å; S77-Y83 WeakPolarHBondContact O-CE1 3.4Å; S77-Y83 PolarHBondContact OG-OH 2.87Å; K78-Y83 HydrophobicContact CB-CE1 4.43Å; Y81-Y83 PolarHBondContact O-N 3.05Å; Y83-S85 WeakPolarHBondContact CE2-OG 3.4Å
84R57.4Low64.8Low247 Ų247104.7 Ų104.793%0.93254%0.54SS*.  trans-92.9103.9172.6-64.2-176.381.1170.75109.4
85S56.2Low63Low43 Ų43105.5 Ų105.530%0.30154%0.543SS..  trans-66.8129.1171.3-52.90000110.4Y83 T87Y83-S85 WeakPolarHBondContact CE2-OG 3.4Å; S85-T87 PolarHBondContact O-N 2.94Å
86C52.5Low61.7Low88 Ų88108.7 Ų108.760%0.59556%0.56SS**THydrogen-bonded Turntrans-81.3-1.4169.5530000113.3
87T53.3Low60.1Low120 Ų120106.9 Ų106.974%0.73656%0.556SS**THydrogen-bonded Turntrans-116.98.1-176.437.60000113.9S85 L89S85-T87 PolarHBondContact O-N 2.94Å; T87-L89 PolarHBondContact O-N 3.27Å
88S47.3Very low59Low85 Ų85110.9 Ų110.959%0.59457%0.574SS**  trans-83.314.3178.968.10000114.2
89L53.1Low57.4Low146 Ų146112 Ų11276%0.76459%0.588SS**SBendtrans-73128.4162.3-85.5148.5000106.6T87 M91T87-L89 PolarHBondContact O-N 3.27Å; L89-M91 PolarHBondContact O-N 3.4Å; L89-M91 VanDerWaalsContact O-N 3.1Å
90P44.2Very low55.6Low109 Ų109112.5 Ų112.571%0.70860%0.597SS**  trans-53.3123.8175.122.6-31.4000108.1T92P90-T92 PolarHBondContact O-N 3.23Å
91M43.8Very low53.9Low125 Ų125117.9 Ų117.962%0.61662%0.617SS**  trans-58.5104.1179.1-16881.8133.300107.4L89 M95L89-M91 PolarHBondContact O-N 3.4Å; L89-M91 VanDerWaalsContact O-N 3.1Å; M91-M95 HydrophobicContact CE-CE 4.47Å; M91-M95 HydrophobicContact CG-CB 4.28Å; M91-M95 HydrophobicContact SD-CB 4.03Å; M91-M95 HydrophobicContact SD-CE 3.81Å; M91-M95 HydrophobicContact SD-SD 3.86Å
92T54.2Low52.2Low93 Ų93119.6 Ų119.657%0.57163%0.632SS**  trans-70.6145.3-178.510.30000109.1P90 E94 M95P90-T92 PolarHBondContact O-N 3.23Å; T92-E94 PolarHBondContact O-N 3.45Å; T92-M95 PolarHBondContact O-N 3.38Å
93E55.9Low50.6Low129 Ų129120.8 Ų120.860%0.60364%0.636SS**Hα-helixtrans-51.6-24.5-173.1-160.5-173.9140.800113.8M95 L96 K97E93-M95 PolarHBondContact O-N 2.75Å; E93-L96 PolarHBondContact O-N 3.42Å; E93-K97 PolarHBondContact O-N 3.2Å; E93-K97 WeakPolarHBondContact OE1-CE 3.44Å; E93-K97 IonicContact OE1-NZ 3.88Å; E93-K97 PolarHBondContact OE1-NZ 3.01Å
94E49Very low49.2Very low161 Ų161126.8 Ų126.875%0.75266%0.658SS**Hα-helixtrans-66.1-33.6177.4-54.9-160.7164.700113.7T92 L96 K97 L98T92-E94 PolarHBondContact O-N 3.45Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 2.83Å; E94-K97 PolarHBondContact O-N 3.2Å; E94-L98 PolarHBondContact O-N 3.28Å
95M48Very low48.2Very low107 Ų107121 Ų12153%0.52765%0.652SS.*Hα-helixtrans-73.3-26.6179.7-65.6-173.765.400112.4M91 T92 E93M91-M95 HydrophobicContact CE-CE 4.47Å; M91-M95 HydrophobicContact CG-CB 4.28Å; M91-M95 HydrophobicContact SD-CB 4.03Å; M91-M95 HydrophobicContact SD-CE 3.81Å; M91-M95 HydrophobicContact SD-SD 3.86Å; T92-M95 PolarHBondContact O-N 3.38Å; E93-M95 PolarHBondContact O-N 2.75Å
96L55.7Low47.5Very low110 Ų110123.6 Ų123.658%0.57668%0.677SS**Hα-helixtrans-75.3-35.3175-65174.5000111.6E93 E94 L98E93-L96 PolarHBondContact O-N 3.42Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 2.83Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.42Å
97K47.3Very low46.7Very low115 Ų115126.2 Ų126.250%0.569%0.69SS.*Hα-helixtrans-69.5-29.2177.9-71175.5-175166.10112.6E93 E94 V99 S100E93-K97 PolarHBondContact O-N 3.2Å; E93-K97 WeakPolarHBondContact OE1-CE 3.44Å; E93-K97 IonicContact OE1-NZ 3.88Å; E93-K97 PolarHBondContact OE1-NZ 3.01Å; E94-K97 PolarHBondContact O-N 3.2Å; K97-V99 PolarHBondContact O-N 2.86Å; K97-S100 PolarHBondContact O-N 2.88Å; K97-S100 PolarHBondContact O-OG 3.27Å
98L51.9Low46.3Very low127 Ų127130.2 Ų130.267%0.66570%0.697SS**Hα-helixtrans-70.2-29.3-179.2-142.788.1000113.5E94 L96 S100E94-L98 PolarHBondContact O-N 3.28Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.42Å; L98-S100 VanDerWaalsContact C-N 3.35Å
99V45.2Very low45.9Very low116 Ų116136.6 Ų136.670%0.70372%0.715SS**Hα-helixtrans-71.3-31.6177.7173.30000111.5K97 K101K97-V99 PolarHBondContact O-N 2.86Å; V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.97Å
100S43.8Very low45.1Very low86 Ų86141 Ų14160%0.60172%0.721SS**THydrogen-bonded Turntrans-73.1-15.8-177.673.10000115.3K97 L98K97-S100 PolarHBondContact O-N 2.88Å; K97-S100 PolarHBondContact O-OG 3.27Å; L98-S100 VanDerWaalsContact C-N 3.35Å
101K46.6Very low44.7Very low162 Ų162145.6 Ų145.670%0.70473%0.73SS**THydrogen-bonded Turntrans-88.80.4-174.2-72.2-179.2178.4176.80114.9V99 V103V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.97Å; K101-V103 PolarHBondContact O-N 3.06Å
102N42.2Very low44.7Very low132 Ų132150.9 Ų150.971%0.70674%0.743SS**  trans-97.233.2-176-68.6-48.8000114.6
103V41.8Very low44.1Very low133 Ų133155.5 Ų155.581%0.80676%0.755SS**  trans-11096.6165.3-175.80000108.3K101K101-V103 PolarHBondContact O-N 3.06Å
104R43.3Very low43.5Very low228 Ų228154.4 Ų154.486%0.8676%0.759SS**PPolyproline II helixtrans-92.2133.7171.7-67.3-174.8-178.6-1730.3109.6
105P37.9Very low43.1Very low125 Ų125154.1 Ų154.181%0.81276%0.758SS**PPolyproline II helixtrans-80.5140.9170.331.4-29.7000110.9
106A40.1Very low42.6Very low98 Ų98155.7 Ų155.781%0.8177%0.773SS**PPolyproline II helixtrans-76124177.600000111.3
107T35.3Very low42.3Very low143 Ų143159 Ų15988%0.87778%0.783SS**  trans-142134.7154.546.50000111.2
108K45.3Very low42.2Very low205 Ų205163.2 Ų163.289%0.89180%0.801SS**  trans-68.4143.6-179.4-62.5169176.6172.50110.4
109K39.7Very low42Very low219 Ų219168.3 Ų168.395%0.95281%0.811SS**  -170.9156.3122.9-85.4-148.9-175.4171.60110.8
110R36.6Very low41.7Very low237 Ų237172 Ų17289%0.89482%0.821SS**  trans-109.2136.8-153.3178.9-174.3-176.9-175.21.9110.2
111K35.9Very low41.7Very low207 Ų207172.3 Ų172.390%0.982%0.819SS**  174.3144.4126.4-95.3-176.8-179.6-173.20112.8
112R43.7Very low41.3Very low235 Ų235172 Ų17289%0.88782%0.82SS**  trans-79.2158.1-175.7-59.8172.1157.2174-8.7111
113K40.3Very low41.5Very low190 Ų190172.1 Ų172.183%0.82683%0.828SS**  179.5-17564.5-130.7-176.7-168.7-170.80109.7
114P44.2Very low41.6Very low106 Ų106170.2 Ų170.269%0.68882%0.821SS**  -120.3168.9-111.142.5-27000119.4
115Q41.5Very low41.7Very low156 Ų156170.2 Ų170.273%0.72982%0.821SS**  trans56.2115.9148.4-65-114.11.300121.6
116V36.2Very low41.5Very low140 Ų140169.6 Ų169.685%0.84882%0.82SS**  -146.61321261770000109.3
117K49.8Very low41.2Very low180 Ų180170.9 Ų170.978%0.78382%0.817SS**  trans-66.5125.4177-61.8172.6177.6175.60110.9
118K44.5Very low41.2Very low202 Ų202170.2 Ų170.288%0.87881%0.814SS**  trans-135.2118.2148-74-162.9176.2-176.60109.3E120K118-E120 PolarHBondContact O-N 3.34Å
119R48.9Very low40.6Very low234 Ų234169.8 Ų169.888%0.88381%0.814SS**  trans-80.892.9175.9-170.1-174.4-177.8171.7-0.9106V121R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 HydrophobicContact CG-CG2 3.86Å; R119-V121 PolarHBondContact O-N 3.49Å; R119-V121 VanDerWaalsContact O-N 3.14Å
120E39.3Very low40.9Very low194 Ų194171.1 Ų171.191%0.90781%0.814SS**  trans-82.188.1173.9-155.1162.9-143.500107.4K118K118-E120 PolarHBondContact O-N 3.34Å
121V43.5Very low40.8Very low92 Ų92164.7 Ų164.756%0.55881%0.805SS**  trans-80.5122.2167.5-177.80000106.1R119R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 HydrophobicContact CG-CG2 3.86Å; R119-V121 PolarHBondContact O-N 3.49Å; R119-V121 VanDerWaalsContact O-N 3.14Å
122H37.3Very low40.8Very low155 Ų155160 Ų16072%0.71880%0.799SS**  trans-51142172.6-98.8-85.2000111.1S124H122-S124 PolarHBondContact O-N 3.09Å
123P46Very low40.7Very low135 Ų135154.6 Ų154.688%0.87779%0.793SS**THydrogen-bonded Turntrans-74.823.4-171.131.4-35.6000114.8
124S43.8Very low40.5Very low94 Ų94155.8 Ų155.866%0.65779%0.793SS**THydrogen-bonded Turntrans-103.57.5-177.158.90000114.9H122H122-S124 PolarHBondContact O-N 3.09Å
125W45.5Very low40.4Very low227 Ų227158.3 Ų158.386%0.8680%0.799SS**  trans-138.785.3176.5-83.1-26.6000113.7
126S33.9Very low40.2Very low113 Ų113159.2 Ų159.279%0.7980%0.803SS**  trans173.2133.5149.517.20000105.9
127T33.5Very low40.2Very low124 Ų124155.7 Ų155.776%0.76180%0.795SS**  cis-161149.912.227.70000107.2
128T36.3Very low39.7Very low130 Ų130154.9 Ų154.980%0.79880%0.798SS**  trans47.6103141.7-49.30000118.6
129E31.9Very low39.4Very low195 Ų195155 Ų15591%0.91179%0.793SS**  -140.2139.3128.5-131177-163.400111.4S131E129-S131 PolarHBondContact O-N 3.04Å
130R45.4Very low39.2Very low248 Ų248148.9 Ų148.994%0.93678%0.784SS**  trans-73.398-170-175.5-171.1-157.8-147.37.6109.4
131S35Very low39.6Very low102 Ų102145.3 Ų145.371%0.71378%0.777SS**  trans-150.2105160.3122.10000109.6E129 P133E129-S131 PolarHBondContact O-N 3.04Å; S131-P133 WeakPolarHBondContact O-CD 3.44Å
132S36.4Very low39.3Very low109 Ų109149.1 Ų149.176%0.76279%0.789SS**  trans-68.4121158.4310000107.5R134S132-R134 PolarHBondContact O-N 3.15Å
133P42.1Very low39.3Very low120 Ų120147.8 Ų147.878%0.77979%0.791SS**  trans-71.891.1159.829.7-27.9000105.8S131 I135S131-P133 WeakPolarHBondContact O-CD 3.44Å; P133-I135 PolarHBondContact O-N 2.66Å
134R36.4Very low38.9Very low215 Ų215148.5 Ų148.581%0.81179%0.787SS**  trans-45.8123.6157.5-177.6179.3-67.5-148-0.9105.9S132 Q136S132-R134 PolarHBondContact O-N 3.15Å; R134-Q136 VanDerWaalsContact C-N 3.3Å; R134-Q136 PolarHBondContact O-N 3.2Å
135I42.2Very low38.6Very low159 Ų159149 Ų14982%0.81579%0.786SS**  trans-51.7102.3168.3-62.8166.3000105.6P133 G137P133-I135 PolarHBondContact O-N 2.66Å; I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 2.84Å
136Q37.3Very low38Very low175 Ų175143.6 Ų143.682%0.81877%0.774SS**  trans-72.9100.1165.3-72.4-172.515.500104.3R134 I138R134-Q136 VanDerWaalsContact C-N 3.3Å; R134-Q136 PolarHBondContact O-N 3.2Å; Q136-I138 PolarHBondContact O-N 3.4Å
137G34.6Very low38.2Very low67 Ų67145.8 Ų145.869%0.69177%0.771SS**  trans-55.411016500000106.9I135 R139I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 2.84Å; G137-R139 PolarHBondContact O-N 2.74Å; G137-R139 VanDerWaalsContact O-N 3.14Å
138I40.5Very low38.3Very low163 Ų163147.3 Ų147.384%0.83677%0.769SS**PPolyproline II helixtrans-64.3116.4169.2-60175.8000105.4Q136Q136-I138 PolarHBondContact O-N 3.4Å
139R38.3Very low38.1Very low204 Ų204147 Ų14777%0.7777%0.768SS**PPolyproline II helixtrans-59.3128.2170.6-167.8177.4-176.7156.7-2.5107.7G137G137-R139 PolarHBondContact O-N 2.74Å; G137-R139 VanDerWaalsContact O-N 3.14Å
140P45.1Very low38.4Very low106 Ų106144 Ų14469%0.68876%0.763SS**PPolyproline II helixtrans-60.3138.4173.9-17.529.1000109.7E142P140-E142 PolarHBondContact O-N 3.4Å
141P46.3Very low37.6Very low119 Ų119138 Ų13877%0.77375%0.753SS**PPolyproline II helixtrans-61.5133.4167.1-19.932.2000110.1V143P141-V143 PolarHBondContact O-N 2.91Å
142E36.7Very low37.2Very low171 Ų171138.5 Ų138.580%0.79976%0.755SS**PPolyproline II helixtrans-58.2119.6176-71.2166.3176.200109.9P140 L144P140-E142 PolarHBondContact O-N 3.4Å; E142-L144 PolarHBondContact O-N 3.48Å
143V38.6Very low36.9Very low128 Ų128138.1 Ų138.178%0.77675%0.753SS**  trans-83.1103.4170.1-175.30000106.6P141 V145P141-V143 PolarHBondContact O-N 2.91Å; V143-V145 PolarHBondContact O-N 2.94Å; V143-V145 VanDerWaalsContact O-N 3.14Å
144L37.5Very low36.7Very low149 Ų149142.1 Ų142.178%0.7876%0.758SS**  trans-58.6109.9165-170.394.4000107.6E142 D146E142-L144 PolarHBondContact O-N 3.48Å; L144-D146 PolarHBondContact O-N 2.9Å
145V37.6Very low36.4Very low104 Ų104137.5 Ų137.563%0.6375%0.753SS**  trans-86.396.8176.9-175.20000107.4V143V143-V145 PolarHBondContact O-N 2.94Å; V143-V145 VanDerWaalsContact O-N 3.14Å
146D31.7Very low35.9Very low115 Ų115135.9 Ų135.962%0.61575%0.753SS**  trans-79.3120.9165.7-103.8-29000109.4L144 H148L144-D146 PolarHBondContact O-N 2.9Å; D146-H148 PolarHBondContact O-N 3.15Å; D146-H148 VanDerWaalsContact O-N 3.16Å
147H38.4Very low35.7Very low159 Ų159135.4 Ų135.474%0.73676%0.755SS**  trans-76.796.3177.9-58.5-75.3000109.7
148H35.5Very low35.5Very low155 Ų155140.8 Ų140.872%0.71876%0.762SS**  trans-104.3107.1164.1-63.1-54.1000109.9D146 V150D146-H148 PolarHBondContact O-N 3.15Å; D146-H148 VanDerWaalsContact O-N 3.16Å; H148-V150 PolarHBondContact O-N 3.12Å
149T33.4Very low35.1Very low124 Ų124139.1 Ų139.176%0.76176%0.76SS**  trans-58.5118171.542.60000109.9V151T149-V151 PolarHBondContact O-N 3.1Å
150V36.4Very low34.7Very low133 Ų133134.6 Ų134.681%0.80675%0.754SS**  trans-75.896.7169.4179.90000107.6H148 C152H148-V150 PolarHBondContact O-N 3.12Å; V150-C152 PolarHBondContact O-N 3.46Å
151V29.3Very low34.3Very low121 Ų121138.2 Ų138.273%0.73376%0.762SS**  trans-74.7112.1166175.60000107.4T149 S153T149-V151 PolarHBondContact O-N 3.1Å; V151-S153 PolarHBondContact O-N 3.08Å; V151-S153 VanDerWaalsContact O-N 3.13Å
152C25.9Very low33.5Very low113 Ų113140.3 Ų140.376%0.76476%0.763SS**  trans-67.3105.6170.9-65.80000109.6V150 K154V150-C152 PolarHBondContact O-N 3.46Å; C152-K154 PolarHBondContact O-N 3.41Å
153S30.2Very low33.5Very low101 Ų101140.3 Ų140.371%0.70677%0.768SS**  trans-77.6113.5169.354.50000110V151V151-S153 PolarHBondContact O-N 3.08Å; V151-S153 VanDerWaalsContact O-N 3.13Å
154K38.4Very low33.7Very low203 Ų203141.8 Ų141.888%0.88377%0.766SS**  trans-69.6122.3162.4-72.8177.5174.2-179.10108.3C152C152-K154 PolarHBondContact O-N 3.41Å
155T30.6Very low33.9Very low118 Ų118142.4 Ų142.472%0.72477%0.771SS**  trans-136.2142.4165.344.40000111
156P31.5Very low34Very low125 Ų125144.3 Ų144.381%0.81278%0.777SS**PPolyproline II helixtrans-78.7144.7-171.533.3-33.7000111.3Q158P156-Q158 PolarHBondContact O-N 2.9Å
157I33Very low34.8Very low166 Ų166143.3 Ų143.385%0.85178%0.775SS**PPolyproline II helixtrans-76.9117.9177.2-61.5167.7000108.1
158Q30.9Very low35.6Very low180 Ų180142.9 Ų142.984%0.84177%0.773SS**PPolyproline II helixtrans-92.5122.9163.5-122.7176.49.100108.1P156 V160P156-Q158 PolarHBondContact O-N 2.9Å; Q158-V160 PolarHBondContact O-N 2.99Å
159T30.8Very low36.7Very low128 Ų128138.9 Ų138.979%0.78576%0.761SS**PPolyproline II helixtrans-64.1118.9174.3-52.50000109.3
160V30.6Very low38Very low108 Ų108136 Ų13666%0.65575%0.745SS**  trans-110.6115.5166.5172.80000106.4Q158 M162Q158-V160 PolarHBondContact O-N 2.99Å; V160-M162 HydrophobicContact CG1-CE 4.14Å; V160-M162 PolarHBondContact O-N 3.28Å
161E36.9Very low39.8Very low183 Ų183131.9 Ų131.986%0.85572%0.718SS**PPolyproline II helixtrans-65119.1168.4-68.9178.315800108
162M30.5Very low41.9Very low162 Ų162133.1 Ų133.180%0.79871%0.71SS**PPolyproline II helixtrans-103.8129.4170.6-71.1-9181.100107.9V160V160-M162 HydrophobicContact CG1-CE 4.14Å; V160-M162 PolarHBondContact O-N 3.28Å
163L36.7Very low44.1Very low172 Ų172133.5 Ų133.590%0.90170%0.704SS**PPolyproline II helixtrans-58.6140.3176.6-170.773.5000110.7
164E42.9Very low46.3Very low158 Ų158130.2 Ų130.274%0.73868%0.68SS**PPolyproline II helixtrans-59.3125-179.9-63.3179.7140.800112.5
165D40.9Very low47.7Very low163 Ų163125.1 Ų125.187%0.87267%0.669SS**SBendtrans-170.2134.1132.4-106.6-30.2000109.7
166D39.5Very low49.7Very low143 Ų143123.2 Ų123.277%0.76565%0.654SS**  trans62.982.5-177.5-152.439.3000117.2Q168D166-Q168 PolarHBondContact O-N 3.21Å; D166-Q168 VanDerWaalsContact O-N 3.16Å
167V48.8Very low51.6Low95 Ų95125.3 Ų125.358%0.57665%0.653SS**  trans-8590.1-178.4-171.30000110.8V192V167-V192 HydrophobicContact CG1-CB 4.36Å; V167-V192 HydrophobicContact CG1-CG2 3.95Å
168Q54Low53Low149 Ų149118.4 Ų118.470%0.69662%0.623SS**  trans-64.5142.9165.9-79.8-174.4-6.700111.4D166 C170D166-Q168 PolarHBondContact O-N 3.21Å; D166-Q168 VanDerWaalsContact O-N 3.16Å; Q168-C170 PolarHBondContact O-N 3.28Å
169P59.6Low54.2Low71 Ų71119.1 Ų119.146%0.46163%0.632SS.*  trans-62.1114.917326.5-33000109I44 Q190 T191I44-P169 HydrophobicContact CD1-CB 4.4Å; I44-P169 HydrophobicContact CD1-CG 4.43Å; I44-P169 VanDerWaalsContact CD1-O 3.29Å; I44-P169 WeakPolarHBondContact CD1-O 3.22Å; P169-Q190 WeakPolarHBondContact CA-O 3.29Å; P169-T191 HydrophobicContact CB-CG2 4.42Å
170C61.3Low55.7Low64 Ų64117.1 Ų117.143%0.43262%0.623SS.*EExtended strand (participates in β ladder)trans-109.4142.3-177.260.20000111.4Q168 Q190Q168-C170 PolarHBondContact O-N 3.28Å; C170-Q190 PolarHBondContact O-N 3.49Å
171L74.8Confident57Low46 Ų46115 Ų11524%0.24162%0.623CS.*EExtended strand (participates in β ladder)trans-90113.9173.5-64.8-177.1000109A41 I44 L45 L187 I189A41-L171 HydrophobicContact CB-CD2 3.74Å; I44-L171 HydrophobicContact CB-CD1 4.28Å; I44-L171 HydrophobicContact CD1-CD2 4.26Å; I44-L171 HydrophobicContact CD1-CG 4.01Å; I44-L171 HydrophobicContact CG2-CD1 4.18Å; I44-L171 HydrophobicContact CG2-CG 4.42Å; L45-L171 HydrophobicContact CD1-CD1 4.34Å; L45-L171 HydrophobicContact CD2-CD1 3.85Å; L45-L171 HydrophobicContact CG-CD1 3.9Å; L171-L187 HydrophobicContact CB-CD1 4.08Å; L171-I189 HydrophobicContact CD2-CB 4.28Å; L171-I189 HydrophobicContact CD2-CG1 3.68Å; L171-I189 HydrophobicContact CD2-CG2 4.17Å
172R73.1Confident57.6Low147 Ų147113.6 Ų113.656%0.55561%0.614SS**EExtended strand (participates in β ladder)trans-103.6120.4179.8-173.9178.3176.5-178.2-1110.7T174 L187 Q188R172-T174 HydrophobicContact CG-CG2 4.26Å; R172-L187 CarbonylContact O-C 3.56Å; R172-L187 WeakPolarHBondContact O-CA 3.42Å; R172-Q188 HydrophobicContact CB-CB 4.42Å; R172-Q188 PolarHBondContact N-O 2.71Å; R172-Q188 PolarHBondContact O-N 2.91Å
173L71.3Confident59.2Low121 Ų121112.8 Ų112.863%0.63461%0.608SS**EExtended strand (participates in β ladder)trans-94.6124.4172.4-156.999.4000109.5A185 L187L173-A185 HydrophobicContact CD1-CB 4.06Å; L173-A185 HydrophobicContact CD2-CB 3.66Å; L173-A185 HydrophobicContact CG-CB 3.83Å; L173-L187 HydrophobicContact CD1-CB 4.47Å; L173-L187 HydrophobicContact CD1-CD1 4.11Å
174T76.3Confident60.5Low33 Ų33107.4 Ų107.420%0.20258%0.582CS.*EExtended strand (participates in β ladder)trans-115.2127.7175.551.40000109.6R172 A185 R186R172-T174 HydrophobicContact CG-CG2 4.26Å; T174-A185 CarbonylContact O-C 3.5Å; T174-A185 WeakPolarHBondContact O-CA 3.38Å; T174-R186 PolarHBondContact N-O 3.42Å; T174-R186 PolarHBondContact O-N 3.36Å; T174-R186 PolarHBondContact OG1-O 3.46Å; T174-R186 VanDerWaalsContact OG1-O 3.05Å
175S67.3Low61.7Low95 Ų95102.8 Ų102.866%0.66457%0.571SS**EExtended strand (participates in β ladder)trans-73128.7174.3-176.30000109.2
176I72.8Confident63.2Low79 Ų79101.9 Ų101.941%0.40556%0.556SS.*EExtended strand (participates in β ladder)trans-126129.8175.149.6157.7000109.2G178 T184 R186I176-G178 PolarHBondContact O-N 3.36Å; I176-T184 CarbonylContact C-O 3.53Å; I176-T184 WeakPolarHBondContact CG1-O 3.16Å; I176-T184 WeakPolarHBondContact CG1-OG1 3.35Å; I176-T184 PolarHBondContact N-O 3.19Å; I176-T184 CarbonylContact O-C 3.57Å; I176-T184 WeakPolarHBondContact O-CA 3.27Å; I176-T184 PolarHBondContact O-N 3.36Å; I176-T184 PolarHBondContact O-OG1 3.46Å; I176-R186 HydrophobicContact CD1-CB 4.14Å; I176-R186 HydrophobicContact CG1-CB 4.28Å
177E72Confident64.8Low168 Ų16899.4 Ų99.479%0.78554%0.542SS*.EExtended strand (participates in β ladder)trans-78.6114.5174.9-68.4-176.4171.900108.8
178G62.3Low66Low22 Ų2298.2 Ų98.223%0.22753%0.53CS..  trans-72.9151.717400000110.7I176 S180 G181 F182I176-G178 PolarHBondContact O-N 3.36Å; G178-S180 PolarHBondContact O-N 3.45Å; G178-G181 PolarHBondContact O-N 3.42Å; G178-F182 PolarHBondContact N-O 2.99Å
179L57.2Low66.8Low195 Ų19593.7 Ų93.7100%1.02151%0.51SS*.THydrogen-bonded Turntrans-56.5-14.1175.1-64.3172.9000113.7
180S61.8Low67Low85 Ų8595.1 Ų95.159%0.59451%0.511SS*.THydrogen-bonded Turntrans-88.63.2176.156.50000114.4G178 F182G178-S180 PolarHBondContact O-N 3.45Å; S180-F182 VanDerWaalsContact O-CD2 3.3Å; S180-F182 WeakPolarHBondContact O-CD2 3.39Å; S180-F182 PolarHBondContact O-N 3.46Å
181G56.6Low66.7Low64 Ų6494.9 Ų94.966%0.6651%0.508SS*.SBendtrans74.8-2.5-178.600000114.8G178G178-G181 PolarHBondContact O-N 3.42Å
182F51.2Low65.8Low153 Ų15396.6 Ų96.667%0.67152%0.519SS*.SBendtrans-87.6138.6174.1-60.8-74000110.7G178 S180 T184G178-F182 PolarHBondContact N-O 2.99Å; S180-F182 VanDerWaalsContact O-CD2 3.3Å; S180-F182 WeakPolarHBondContact O-CD2 3.39Å; S180-F182 PolarHBondContact O-N 3.46Å; F182-T184 PolarHBondContact O-N 3.5Å
183H63.1Low64.4Low145 Ų145100 Ų10067%0.67153%0.533SS*.EExtended strand (participates in β ladder)trans-68.1120.4176.4-58.7-5.3000109
184T64.1Low62.7Low59 Ų59101.8 Ų101.836%0.36254%0.538SS..EExtended strand (participates in β ladder)trans-111.1151.4172.346.20000108.7I176 F182I176-T184 CarbonylContact C-O 3.53Å; I176-T184 WeakPolarHBondContact CG1-O 3.16Å; I176-T184 WeakPolarHBondContact CG1-OG1 3.35Å; I176-T184 PolarHBondContact N-O 3.19Å; I176-T184 CarbonylContact O-C 3.57Å; I176-T184 WeakPolarHBondContact O-CA 3.27Å; I176-T184 PolarHBondContact O-N 3.36Å; I176-T184 PolarHBondContact O-OG1 3.46Å; F182-T184 PolarHBondContact O-N 3.5Å
185A69.1Low60.6Low61 Ų61106.3 Ų106.350%0.50457%0.565SS.*EExtended strand (participates in β ladder)trans-119.9131.9178.600000109.5L173 T174L173-A185 HydrophobicContact CD1-CB 4.06Å; L173-A185 HydrophobicContact CD2-CB 3.66Å; L173-A185 HydrophobicContact CG-CB 3.83Å; T174-A185 CarbonylContact O-C 3.5Å; T174-A185 WeakPolarHBondContact O-CA 3.38Å
186R70.8Confident59.1Low145 Ų145110 Ų11055%0.54757%0.572SS.*EExtended strand (participates in β ladder)trans-101116173.4-179.1-179.6-179.5-176.2-0.4108.9T174 I176 Q188T174-R186 PolarHBondContact N-O 3.42Å; T174-R186 PolarHBondContact O-N 3.36Å; T174-R186 PolarHBondContact OG1-O 3.46Å; T174-R186 VanDerWaalsContact OG1-O 3.05Å; I176-R186 HydrophobicContact CD1-CB 4.14Å; I176-R186 HydrophobicContact CG1-CB 4.28Å; R186-Q188 HydrophobicContact CG-CG 4.37Å
187L73.5Confident57Low91 Ų91111.9 Ų111.948%0.47659%0.587SS.*EExtended strand (participates in β ladder)trans-80.1126.6169.1-172.767.7000109.2L171 R172 L173L171-L187 HydrophobicContact CB-CD1 4.08Å; R172-L187 CarbonylContact O-C 3.56Å; R172-L187 WeakPolarHBondContact O-CA 3.42Å; L173-L187 HydrophobicContact CD1-CB 4.47Å; L173-L187 HydrophobicContact CD1-CD1 4.11Å
188Q73.6Confident55.2Low70 Ų70109.9 Ų109.933%0.32759%0.589SS.*EExtended strand (participates in β ladder)trans-114.7134.1172.6-67.2179-4700108.5R172 R186R172-Q188 HydrophobicContact CB-CB 4.42Å; R172-Q188 PolarHBondContact N-O 2.71Å; R172-Q188 PolarHBondContact O-N 2.91Å; R186-Q188 HydrophobicContact CG-CG 4.37Å
189I72.1Confident53.8Low54 Ų54114.8 Ų114.828%0.27762%0.617SS.*EExtended strand (participates in β ladder)trans-104.9109.8177.1-55.6163.9000106.1V37 A41 L171 T191V37-I189 HydrophobicContact CG1-CB 4.08Å; V37-I189 HydrophobicContact CG1-CD1 3.89Å; V37-I189 HydrophobicContact CG1-CG2 3.75Å; A41-I189 HydrophobicContact CB-CD1 3.62Å; A41-I189 HydrophobicContact CB-CG1 4.03Å; A41-I189 HydrophobicContact CB-CG2 4.41Å; L171-I189 HydrophobicContact CD2-CB 4.28Å; L171-I189 HydrophobicContact CD2-CG1 3.68Å; L171-I189 HydrophobicContact CD2-CG2 4.17Å; I189-T191 HydrophobicContact CG2-CG2 4.25Å
190Q62.4Low52.5Low101 Ų101112 Ų11247%0.47261%0.608SS.*EExtended strand (participates in β ladder)trans-92.9109.6177.9-167.5167.5-7.500108.1P169 C170 V192P169-Q190 WeakPolarHBondContact CA-O 3.29Å; C170-Q190 PolarHBondContact O-N 3.49Å; Q190-V192 HydrophobicContact CG-CG2 4.28Å
191T56.2Low51Low59 Ų59112.1 Ų112.136%0.36261%0.609SS.*  trans-111.8106.1169.646.60000106.3P169 I189 W193P169-T191 HydrophobicContact CB-CG2 4.42Å; I189-T191 HydrophobicContact CG2-CG2 4.25Å; T191-W193 PolarHBondContact O-N 3.35Å
192V54.5Low49.7Very low81 Ų81118.6 Ų118.649%0.49162%0.619SS.*  trans-82.8105.2174.3179.10000106.4V167 Q190 E194V167-V192 HydrophobicContact CG1-CB 4.36Å; V167-V192 HydrophobicContact CG1-CG2 3.95Å; Q190-V192 HydrophobicContact CG-CG2 4.28Å; V192-E194 HydrophobicContact CG1-CG 4.19Å
193W44.1Very low49Very low220 Ų220116.5 Ų116.583%0.83362%0.621SS**  trans-105.298.3164.2-7036.9000104.5T191 T195T191-W193 PolarHBondContact O-N 3.35Å; W193-T195 PolarHBondContact O-N 3.4Å
194E35.4Very low47.3Very low158 Ų158115 Ų11574%0.73863%0.626SS**  trans-63108168.8-80.8-165.1140.600108.1V192 E196V192-E194 HydrophobicContact CG1-CG 4.19Å; E194-E196 PolarHBondContact O-N 2.88Å
195T33Very low46.2Very low127 Ų127117.1 Ų117.178%0.77964%0.641SS**  trans-84.4100.8156.1-52.70000105.8W193 T197W193-T195 PolarHBondContact O-N 3.4Å; T195-T197 PolarHBondContact O-N 2.92Å
196E35Very low44.3Very low173 Ų173122.7 Ų122.781%0.80866%0.657SS**  trans-54.8118.9166.5-75.8-172126.400109.7E194E194-E196 PolarHBondContact O-N 2.88Å
197T29.6Very low42.3Very low119 Ų119123.3 Ų123.373%0.7367%0.67SS**  trans-175.7123.7139.821.30000109T195T195-T197 PolarHBondContact O-N 2.92Å
198P33.2Very low41.2Very low126 Ų126124.2 Ų124.282%0.81868%0.681SS**PPolyproline II helixtrans-86.5139-173.832.5-31.9000112.1
199P34Very low39.6Very low125 Ų125126.2 Ų126.281%0.81270%0.701SS**PPolyproline II helixtrans-91.1139.6161.932.8-27.5000111.3
200V30.3Very low37.5Very low137 Ų137129.5 Ų129.583%0.8372%0.723SS**PPolyproline II helixtrans-61.4134.3177.41730000111.5
201S29.7Very low36.1Very low87 Ų87132.2 Ų132.261%0.60874%0.74SS**PPolyproline II helixtrans-55.7146174.7178.10000114.5
202F28.3Very low34.8Very low199 Ų199135.2 Ų135.287%0.87376%0.764SS**  -161.8152.9125.3-80-63000111.3
203P36.3Very low33.6Very low110 Ų110134.8 Ų134.871%0.71478%0.775SS**  trans-113.5166.5-157.139.9-30.4000117.6
204S29.3Very low33.2Very low112 Ų112131.7 Ų131.778%0.78377%0.773SS**  trans94.7155.7151.5-155.60000119.3
205P39.9Very low33.2Very low105 Ų105130.4 Ų130.468%0.68278%0.779SS**  cis-133.5158.1-43.234.2-17.4000115.7
206Q29.1Very low33.1Very low177 Ų177129.4 Ų129.483%0.82778%0.777SS**  trans56.5123.8143.9-66.6-167.3-10.100124.7
207L29.9Very low33.1Very low159 Ų159130.1 Ų130.183%0.83278%0.78SS**  trans115.3138.6139.7-74.4145.1000118.7
208P49.9Very low33.5Very low109 Ų109130.6 Ų130.671%0.70879%0.785SS**  trans-100.8166.8-162.140.8-34.7000113.8
209P39.1Very low33.6Very low113 Ų113129.9 Ų129.973%0.73478%0.784SS**  trans-142.3133.1141.225.9-4.9000116.2
210T28.2Very low33.7Very low122 Ų122133 Ų13375%0.74879%0.787SS**  25.6121.5129.834.20000122.5
211L32.9Very low33.8Very low158 Ų158134.5 Ų134.583%0.82779%0.791SS**  48.7121.1129.3-69.8170.4000122.3
212S29.1Very low33.9Very low123 Ų123134.4 Ų134.486%0.8680%0.803SS**  trans76.5138.5138.396.50000119.1
213G28.7Very low34Very low71 Ų71129.1 Ų129.173%0.73281%0.805SS**  trans159.595.7165.400000113.7
214I35.4Very low33.8Very low155 Ų155127.6 Ų127.680%0.79581%0.81SS**  trans-53.9138.4164.2-62.3162.1000109.5S216I214-S216 PolarHBondContact O-N 3.41Å
215P35.7Very low34.1Very low131 Ų131127.2 Ų127.285%0.85181%0.813SS**  trans-7598.4170.8-1227.8000110.7
216S32.2Very low34.3Very low107 Ų107127.8 Ų127.875%0.74882%0.817SS**  trans-70.2136.7161.445.60000110.7I214I214-S216 PolarHBondContact O-N 3.41Å
217Q35Very low34.6Very low187 Ų187126.3 Ų126.387%0.87482%0.82SS**  trans-52.7140.9173.7-67176.4-62.100112.3S219Q217-S219 PolarHBondContact O-N 3.2Å
218P37.3Very low35Very low129 Ų129128.5 Ų128.584%0.83882%0.823SS**  trans-82.9112.6169.730.1-28.9000111.1
219S34.6Very low34.5Very low112 Ų112127.9 Ų127.978%0.78383%0.827SS**  trans-67.7127.2151.5162.30000109.3Q217Q217-S219 PolarHBondContact O-N 3.2Å
220Q36.8Very low34.4Very low189 Ų189128.8 Ų128.888%0.88383%0.83SS**  trans-149.4116.9155.1-81.4-154.22.700111.4
221N32.3Very low34.6Very low170 Ų170127.3 Ų127.391%0.90983%0.83SS**  trans-89.7134.7155.2-90.5-32.8000108.5
222G32.1Very low34.7Very low84 Ų84127.8 Ų127.887%0.86683%0.833SS**  trans112.589.113900000118.7
223G30.4Very low35Very low88 Ų88129.7 Ų129.791%0.90783%0.826SS**  119.6100.2129.300000118.1
224G32.7Very low35.3Very low79 Ų79131.9 Ų131.981%0.81483%0.83SS**  trans14357.7150.500000120.8
225A35.8Very low35.3Very low103 Ų103131.7 Ų131.785%0.85183%0.826SS**  trans59.2158.914700000120.9
226P44.2Very low35.3Very low118 Ų118134.6 Ų134.677%0.76683%0.825SS**  -119.2153.5-116.537.7-24.2000114.9
227T34.7Very low35.5Very low145 Ų145134.5 Ų134.589%0.8982%0.824SS**  trans-141.2126.7154.1-36.10000110.5
228K38.9Very low35.4Very low205 Ų205133.1 Ų133.189%0.89182%0.822SS**  trans-40.8125-173-74170.1168.1175.50114.5
229A37.8Very low35.1Very low97 Ų97131.6 Ų131.680%0.80282%0.815SS**  trans-147.4124141.200000109A231A229-A231 PolarHBondContact O-N 3Å
230V37.4Very low35.2Very low132 Ų132132.5 Ų132.580%0.882%0.819SS**  trans-70.9119.2-171.41740000109.9L232V230-L232 HydrophobicContact CG1-CG 4.31Å
231A31.8Very low35.4Very low91 Ų91128.5 Ų128.575%0.75281%0.81SS**  trans-91.1118163.900000108.8A229A229-A231 PolarHBondContact O-N 3Å
232L36.2Very low35.4Very low168 Ų168127.9 Ų127.988%0.8881%0.805SS**  trans-101.293.9157.4-74.2-178.9000109V230V230-L232 HydrophobicContact CG1-CG 4.31Å
233F34.8Very low35.9Very low163 Ų163135.2 Ų135.272%0.71581%0.806SS**  trans-32134150.7-175.4-103.9000113.6Q235F233-Q235 HydrophobicContact CD1-CG 4.18Å; F233-Q235 HydrophobicContact CE1-CG 3.29Å; F233-Q235 HydrophobicContact CE2-CG 4.28Å; F233-Q235 HydrophobicContact CZ-CG 3.36Å
234S34.8Very low36.3Very low116 Ų116139 Ų13981%0.81181%0.805SS**  trans-154148.2138.4-164.10000111.7
235Q36.2Very low36.8Very low152 Ų152143.2 Ų143.271%0.7181%0.809SS**  trans-82.6162.4-148.9-70.6171.6-53.900115.3F233F233-Q235 HydrophobicContact CD1-CG 4.18Å; F233-Q235 HydrophobicContact CE1-CG 3.29Å; F233-Q235 HydrophobicContact CE2-CG 4.28Å; F233-Q235 HydrophobicContact CZ-CG 3.36Å
236K35.8Very low36.8Very low192 Ų192141.4 Ų141.484%0.83580%0.8SS**  trans-66.1145.7164.5-68152.5176.8176.30111.1
237S37.2Very low36.5Very low104 Ų104140.1 Ų140.173%0.72780%0.799SS**  trans63.3120.7148.956.40000118.2
238L31.6Very low36.9Very low158 Ų158141.6 Ų141.683%0.82780%0.801SS**  -177.2139.8107.5-89.1162.9000110.4
239S31.2Very low37.1Very low98 Ų98139.1 Ų139.169%0.68580%0.796SS**  trans55.3117.5147.560.70000120.3
240C36Very low36.9Very low131 Ų131137.8 Ų137.889%0.88579%0.792SS**  trans-52.2135146.1-41.50000108.5
241P41.6Very low37.1Very low104 Ų104138 Ų13868%0.67579%0.788SS**  -151170.5102.837.8-20.2000115.1
242I33.4Very low37.7Very low157 Ų157139.2 Ų139.281%0.80579%0.791SS**  trans88.2123.6157.1-73.6157.4000117.7
243R42.4Very low37.7Very low238 Ų238134.5 Ų134.590%0.89878%0.776SS**  trans-61.4131.9-177.8-53.4171.577.8179.43.3109.8
244L38.1Very low37.8Very low167 Ų167132 Ų13287%0.87478%0.776SS**  trans-133.1124.8147.4-120.3103.8000108.8
245D42Very low37.9Very low169 Ų169134.4 Ų134.490%0.90477%0.773SS**  trans-45.2133.2161.2-117.7-32.7000110.5
246G36.9Very low37.9Very low64 Ų64136.3 Ų136.366%0.6678%0.779SS**  trans164.871-178.100000110.7L248G246-L248 PolarHBondContact O-N 2.9Å
247A38.5Very low38.2Very low92 Ų92137.1 Ų137.176%0.7678%0.778SS**  trans-58.7103.217300000110.3I249A247-I249 PolarHBondContact O-N 2.86Å
248L42.9Very low38Very low175 Ų175136.3 Ų136.392%0.91678%0.778SS**  trans-79.299157.8-72.9174000107.1G246 G250G246-L248 PolarHBondContact O-N 2.9Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.78Å
249I42.3Very low38.5Very low154 Ų154136.5 Ų136.579%0.7978%0.779SS**  trans-64.995.9168.5-61.8169.7000106.8A247 D251A247-I249 PolarHBondContact O-N 2.86Å; I249-D251 HydrophobicContact CG2-CB 4.47Å
250G34.8Very low39Very low69 Ų69135.6 Ų135.671%0.71179%0.786SS**  trans-109.572.8166.200000108.5L248 S252L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.78Å; G250-S252 VanDerWaalsContact C-N 3.31Å; G250-S252 PolarHBondContact O-N 3.36Å
251D40Very low39.1Very low136 Ų136140.2 Ų140.273%0.72779%0.785SS**  trans-74.689.3174.5-133.6-2.5000107.9I249I249-D251 HydrophobicContact CG2-CB 4.47Å
252S44.4Very low38.6Very low117 Ų117141.4 Ų141.482%0.81879%0.792SS**  trans-133.649.2168.2-64.80000108.9G250G250-S252 VanDerWaalsContact C-N 3.31Å; G250-S252 PolarHBondContact O-N 3.36Å
253A36.4Very low38.6Very low69 Ų69140.6 Ų140.657%0.5779%0.794SS**PPolyproline II helixtrans-86.6126.5157.600000107.7F255A253-F255 PolarHBondContact O-N 2.78Å; A253-F255 VanDerWaalsContact O-N 3.14Å
254P37.3Very low38.3Very low110 Ų110134.4 Ų134.471%0.71479%0.788SS**PPolyproline II helixtrans-62.6119.9173.724.1-30.3000109.4F256P254-F256 PolarHBondContact O-N 3.39Å
255F36.9Very low38.1Very low167 Ų167135.7 Ų135.773%0.73279%0.789SS**PPolyproline II helixtrans-66.2118.5171.8-113-98.3000109.2A253 Y257A253-F255 PolarHBondContact O-N 2.78Å; A253-F255 VanDerWaalsContact O-N 3.14Å; F255-Y257 HydrophobicContact CB-CE2 4.37Å
256F36.2Very low37.5Very low191 Ų191133.7 Ų133.784%0.83878%0.783SS**PPolyproline II helixtrans-83.9116.8164.7-73.2-86.4000108.5P254P254-F256 PolarHBondContact O-N 3.39Å
257Y41.1Very low37Very low210 Ų210138 Ų13882%0.82479%0.786SS**PPolyproline II helixtrans-80.3118.1172.9-71.6-88.1000109.8F255F255-Y257 HydrophobicContact CB-CE2 4.37Å
258A34.2Very low36.6Very low87 Ų87139.2 Ų139.272%0.71978%0.784SS**  trans-110.6117.2159.300000108.3
259N41.5Very low36Very low161 Ų161137.2 Ų137.286%0.86177%0.774SS**SBendtrans62.384.3162.6-54.4-21.3000116.1R261N259-R261 PolarHBondContact O-N 3.47Å; N259-R261 VanDerWaalsContact O-N 3.15Å
260G41.5Very low35.6Very low79 Ų79137.4 Ų137.481%0.81478%0.776SS**  trans-48108.1-176.700000117.5
261R38.7Very low35.3Very low229 Ų229140.7 Ų140.786%0.86478%0.782SS**  trans-141.7139.7146.4-72.5-167.2-168.9-95.5-1.4110.1N259N259-R261 PolarHBondContact O-N 3.47Å; N259-R261 VanDerWaalsContact O-N 3.15Å
262P32.2Very low35Very low128 Ų128138.7 Ų138.783%0.83178%0.779SS**  trans-81.4133.317532-30.6000110.3
263V31.8Very low34.5Very low140 Ų140140.2 Ų140.285%0.84878%0.778SS**  trans-111120.6166.1171.60000107.4
264S35.8Very low34Very low109 Ų109140.5 Ų140.576%0.76279%0.787SS**  trans-66.6136.2179.6-530000111.7
265Q34.3Very low33.8Very low193 Ų193147.3 Ų147.390%0.90280%0.799SS**  trans-52.3122.1172-172.4170.214.400112.6
266T30.3Very low33.6Very low128 Ų128151.3 Ų151.379%0.78581%0.809SS**  trans-130.2120.7159.152.60000110.2
267H26.3Very low33.1Very low154 Ų154145.3 Ų145.371%0.71380%0.802SS**  trans-36.8127.2174.9-167.1-103.8000114D269H267-D269 IonicContact CE1-OD1 2.73Å; H267-D269 PolarHBondContact CE1-OD1 3.28Å; H267-D269 VanDerWaalsContact CE1-OD1 3.23Å; H267-D269 IonicContact CE1-OD2 3.66Å; H267-D269 PolarHBondContact CE1-OD2 3.42Å; H267-D269 IonicContact ND1-OD1 3.23Å; H267-D269 IonicContact ND1-OD2 3.38Å; H267-D269 PolarHBondContact ND1-OD2 3.24Å
268T30.7Very low32.6Very low118 Ų118143.5 Ų143.572%0.72481%0.806SS**  trans-94.4110.8173.6-53.60000108.4
269D29Very low32.3Very low133 Ų133143.1 Ų143.171%0.71181%0.81SS**  trans-96117.1161.6-77.5-47.4000108.9H267H267-D269 IonicContact CE1-OD1 2.73Å; H267-D269 PolarHBondContact CE1-OD1 3.28Å; H267-D269 VanDerWaalsContact CE1-OD1 3.23Å; H267-D269 IonicContact CE1-OD2 3.66Å; H267-D269 PolarHBondContact CE1-OD2 3.42Å; H267-D269 IonicContact ND1-OD1 3.23Å; H267-D269 IonicContact ND1-OD2 3.38Å; H267-D269 PolarHBondContact ND1-OD2 3.24Å
270L33.8Very low31.7Very low157 Ų157143.6 Ų143.682%0.82281%0.812SS**  trans-67.4127.7169.2-74.696.2000109.5
271T30Very low31.2Very low138 Ų138146.5 Ų146.585%0.84780%0.804SS**  trans-145.2138.7138.4760000110.1
272S32.3Very low30.9Very low94 Ų94144.7 Ų144.766%0.65781%0.806SS**  trans-69161.4179.852.80000112.6
273N33.2Very low30.7Very low150 Ų150144.2 Ų144.280%0.80280%0.796SS**  trans145.9124.4130.9-63.6-14.3000112.7
274G27.2Very low30.8Very low74 Ų74143.6 Ų143.676%0.76379%0.792SS**  80112.112100000119.4
275W32.4Very low31.2Very low253 Ų253144.2 Ų144.296%0.95879%0.794SS**  trans-71.3159.4162-73.450.3000112.1
276R32.3Very low30.8Very low251 Ų251138.6 Ų138.695%0.94779%0.788SS**  trans93.5140.2179.7-55-155.5-131.8-78.35.2114
277G26.8Very low30.9Very low66 Ų66138.1 Ų138.168%0.6879%0.79SS**  cis177.5153.21.400000109.3
278N29.6Very low31.2Very low172 Ų172140.9 Ų140.992%0.9280%0.8SS**  trans37.2115.4156.2-59.4-4.2000122
279G28Very low31.1Very low78 Ų78138.6 Ų138.680%0.80480%0.799SS**  78.5122.3117.900000120.2
280L29.2Very low31.3Very low172 Ų172141 Ų14190%0.90181%0.809SS**  -162.9136.5121-151.967000112.5
281H31.4Very low31.2Very low140 Ų140140 Ų14065%0.64881%0.809SS**  trans-70.6143.6170.3-147.3-105.4000110.4D283H281-D283 IonicContact CE1-OD1 3.07Å; H281-D283 PolarHBondContact CE1-OD1 2.89Å; H281-D283 VanDerWaalsContact CE1-OD1 3.28Å; H281-D283 IonicContact CE1-OD2 3.18Å; H281-D283 PolarHBondContact CE1-OD2 2.9Å; H281-D283 IonicContact ND1-OD1 2.91Å; H281-D283 IonicContact ND1-OD2 3.65Å; H281-D283 PolarHBondContact ND1-OD2 3.35Å
282Q32.2Very low31.3Very low191 Ų191137 Ų13789%0.89381%0.806SS**  trans-153.4124.8146.1-117.5177.526.800111.3
283D28Very low31.4Very low117 Ų117137 Ų13763%0.62681%0.811SS**  trans-82.3133.1-177.3-65.8-68.2000112.6H281H281-D283 IonicContact CE1-OD1 3.07Å; H281-D283 PolarHBondContact CE1-OD1 2.89Å; H281-D283 VanDerWaalsContact CE1-OD1 3.28Å; H281-D283 IonicContact CE1-OD2 3.18Å; H281-D283 PolarHBondContact CE1-OD2 2.9Å; H281-D283 IonicContact ND1-OD1 2.91Å; H281-D283 IonicContact ND1-OD2 3.65Å; H281-D283 PolarHBondContact ND1-OD2 3.35Å
284V34.9Very low31.5Very low127 Ų127136.9 Ų136.977%0.7782%0.816SS**  36.3154115.3-178.70000118.8
285P43.9Very low31.9Very low123 Ų123145.1 Ų145.180%0.79982%0.824SS**  cis-139.2170.913.717.79.9000118.6
286G25.9Very low32.2Very low75 Ų75141.8 Ų141.877%0.77382%0.82SS**  trans178.688.6158.200000119
287S31.9Very low32.4Very low118 Ų118140.8 Ų140.883%0.82582%0.816SS**  trans59.694.3140.9-1490000124.3
288K33.2Very low33.2Very low212 Ų212145.1 Ų145.192%0.92282%0.823SS**  46.5116.3116.1-151.9172.4-171.8177.80121.7
289G27.5Very low33.6Very low69 Ų69141.1 Ų141.171%0.71181%0.809SS**  trans15898.3142.400000117.9
290M34.6Very low34.5Very low185 Ų185149.8 Ų149.891%0.91182%0.817SS**  trans51.2127.7142.9-77.6157.472.700119.4
291T31.4Very low35.3Very low134 Ų134149.8 Ų149.882%0.82281%0.81SS**  cis-161.712820.328.50000107.5
292G31.6Very low35.8Very low77 Ų77149.7 Ų149.779%0.79481%0.814SS**  trans-116.1125.1-176.500000113.7
293A34.5Very low36.6Very low93 Ų93150.5 Ų150.577%0.76982%0.815SS**  trans19.9125.2145.200000120.5R295A293-R295 PolarHBondContact O-N 3.37Å; A293-R295 VanDerWaalsContact O-N 3.12Å
294T35.2Very low37.6Very low148 Ų148154.2 Ų154.291%0.90883%0.825SS**  trans-38.6105156.918.90000113.5Q296T294-Q296 PolarHBondContact O-N 3.34Å
295R34.8Very low38.1Very low246 Ų246154.5 Ų154.593%0.92882%0.823SS**  trans-72.798.8159.1-89-175173-159.1-1.7109.2A293 R297A293-R295 PolarHBondContact O-N 3.37Å; A293-R295 VanDerWaalsContact O-N 3.12Å; R295-R297 PolarHBondContact O-N 3.03Å; R295-R297 VanDerWaalsContact O-N 3.12Å
296Q39.1Very low38.4Very low184 Ų184157.5 Ų157.586%0.8683%0.831SS**  trans-74.197.9167.9-160.9-169.6-1600108.8T294 N298T294-Q296 PolarHBondContact O-N 3.34Å; Q296-N298 PolarHBondContact O-N 3.47Å; Q296-N298 PolarHBondContact O-OD1 3.14Å
297R36.1Very low39.4Very low229 Ų229156.4 Ų156.486%0.86482%0.819SS**  trans-72.8106.7177.4-172.2-176.5-117.1-166.6-1109.9R295 S299R295-R297 PolarHBondContact O-N 3.03Å; R295-R297 VanDerWaalsContact O-N 3.12Å; R297-S299 PolarHBondContact O-N 3.05Å
298N45.2Very low40.5Very low158 Ų158160.3 Ų160.385%0.84582%0.816SS**  trans-68.389.9168.120.9-9.6000109.9Q296 W300Q296-N298 PolarHBondContact O-N 3.47Å; Q296-N298 PolarHBondContact O-OD1 3.14Å; N298-W300 PolarHBondContact O-N 2.86Å
299S38.1Very low41.9Very low87 Ų87156.9 Ų156.961%0.60880%0.801SS**  trans-84.8102.6170.9170.20000110R297 K301R297-S299 PolarHBondContact O-N 3.05Å; S299-K301 PolarHBondContact O-N 3.16Å
300W45.1Very low43.3Very low260 Ų260159.2 Ų159.299%0.98580%0.802SS**  trans-72.442.7-179.7-120.3-21.7000114.1N298N298-W300 PolarHBondContact O-N 2.86Å
301K46.9Very low44.6Very low172 Ų172152.8 Ų152.875%0.74877%0.77SS**  trans-121.555.3-169.8-55.9-78.8-170.7-170.70112.6S299S299-K301 PolarHBondContact O-N 3.16Å
302D42.9Very low46.5Very low139 Ų139154.2 Ų154.274%0.74377%0.765SS**  trans-136.870.9168.1-82.9-46.1000110.9K304D302-K304 VanDerWaalsContact C-N 3.32Å; D302-K304 PolarHBondContact O-N 3.37Å
303K49Very low48Very low208 Ų208154.8 Ų154.890%0.90475%0.753SS**  trans-8917.9-175.4-145.5167.8-176.3175.90113.8
304K48Very low49.6Very low194 Ų194154.5 Ų154.584%0.84374%0.738SS**  trans-143.419.8-171.9-58.4-168.2-177.2-1740117.2D302D302-K304 VanDerWaalsContact C-N 3.32Å; D302-K304 PolarHBondContact O-N 3.37Å
305N44.7Very low51.1Low134 Ų134155.8 Ų155.872%0.71774%0.74SS**  trans-114.676.1173.8-70.6-32.3000111.2G307N305-G307 PolarHBondContact O-N 2.84Å
306L51.1Low52.4Low186 Ų186149.4 Ų149.497%0.97473%0.733SS**  trans-72.641.8149.9-68.7172.4000109.8R308L306-R308 PolarHBondContact O-N 3.47Å
307G47.4Very low53.7Low51 Ų51145 Ų14553%0.52671%0.708SS.*  trans-76.1104.9175.400000107.5N305 K309N305-G307 PolarHBondContact O-N 2.84Å; G307-K309 PolarHBondContact O-N 3.38Å; G307-K309 VanDerWaalsContact O-N 3.13Å
308R54.3Low55.8Low201 Ų201137.2 Ų137.276%0.75869%0.689SS**  trans2.597.6164.6-61.6178.7-175.5-162.10.9113.3L306 V310L306-R308 PolarHBondContact O-N 3.47Å; R308-V310 PolarHBondContact O-N 3.14Å
309K62Low57.3Low139 Ų139135.3 Ų135.360%0.60468%0.683SS**  trans-71.897.5171.5-77.7167.3162.8-1740108.2G307 I329G307-K309 PolarHBondContact O-N 3.38Å; G307-K309 VanDerWaalsContact O-N 3.13Å; K309-I329 HydrophobicContact CB-CG2 3.83Å; K309-I329 HydrophobicContact CD-CG2 3.69Å; K309-I329 HydrophobicContact CG-CG2 4.07Å; K309-I329 PolarHBondContact NZ-O 3.04Å
310V57.6Low59.3Low119 Ų119133.9 Ų133.972%0.72168%0.677SS**  trans-89.3126.2176.6178.60000109R308R308-V310 PolarHBondContact O-N 3.14Å
311I62.5Low61Low49 Ų49125 Ų12525%0.25165%0.646SS.*  trans-96.7111.1175.2-56.2170000106.9V313 A326 I329I311-V313 HydrophobicContact CG2-CG2 4.18Å; I311-A326 HydrophobicContact CD1-CB 3.45Å; I311-A326 VanDerWaalsContact CD1-CB 3.45Å; I311-I329 HydrophobicContact CG1-CD1 4.12Å
312K70.4Confident62.6Low164 Ų164117.6 Ų117.671%0.71362%0.617SS**  trans-77122.1167.1-66.5-174.5177.1-174.70108.3
313V64Low64.2Low89 Ų89113.4 Ų113.454%0.53960%0.598SS.*  trans-107118.4172-177.20000105.6I311 A322I311-V313 HydrophobicContact CG2-CG2 4.18Å; V313-A322 HydrophobicContact CG1-CB 4.38Å; V313-A322 HydrophobicContact CG2-CB 4.39Å
314D67.4Low65.8Low87 Ų87111 Ų11147%0.46558%0.583SS.*  trans-94.5145.1172.1-54.8-47000107.5S316 R317D314-S316 PolarHBondContact O-N 3.13Å; D314-R317 PolarHBondContact O-N 3.21Å
315D65.9Low67.4Low176 Ų176105.3 Ų105.394%0.94156%0.558SS**THydrogen-bonded Turntrans-62.4-10.3-175.7-59.7-34.2000114
316S62Low69.1Low111 Ų11199.5 Ų99.578%0.77653%0.529SS*.THydrogen-bonded Turntrans-83.5-7.3176.655.10000114.5D314D314-S316 PolarHBondContact O-N 3.13Å
317R68.2Low70.7Confident92 Ų9293.4 Ų93.435%0.34750%0.495SS..SBendtrans-99.7136.2-178.7-67.4-173-174.3-120.1-2.9111.9D314 E321D314-R317 PolarHBondContact O-N 3.21Å; R317-E321 IonicContact CZ-OE1 2.75Å; R317-E321 IonicContact NH1-OE1 2.74Å; R317-E321 PolarHBondContact NH1-OE1 2.78Å
318S79.2Confident72.4Confident65 Ų6599.4 Ų99.446%0.45551%0.507SS..  trans-62.6145.1172.368.10000111.6A320 E321 A322S318-A320 PolarHBondContact O-N 3.45Å; S318-E321 PolarHBondContact O-N 3.38Å; S318-E321 WeakPolarHBondContact OG-CB 3.39Å; S318-E321 PolarHBondContact OG-N 3.42Å; S318-A322 PolarHBondContact O-N 2.82Å
319V77Confident73.7Confident118 Ų11892.2 Ų92.272%0.71548%0.483SS*.Hα-helixtrans-54.5-40.6177.1176.50000111.1E321 A322 C323V319-E321 PolarHBondContact O-N 2.96Å; V319-A322 PolarHBondContact O-N 3.33Å; V319-C323 WeakPolarHBondContact O-CB 3.49Å; V319-C323 PolarHBondContact O-N 3.14Å; V319-C323 PolarHBondContact O-SG 3Å; V319-C323 VanDerWaalsContact O-SG 3.35Å
320A79.8Confident74.4Confident58 Ų5889.7 Ų89.748%0.47948%0.476SS..Hα-helixtrans-61.5-40.1177.300000112.8S318 R324S318-A320 PolarHBondContact O-N 3.45Å; A320-R324 WeakPolarHBondContact O-CG 3.11Å; A320-R324 PolarHBondContact O-N 3.28Å
321E81.8Confident75.5Confident73 Ų7392 Ų9234%0.34148%0.479SS..Hα-helixtrans-68.7-41.6176-166.2-162.2142.100112R317 S318 V319 C323 R324 K325R317-E321 IonicContact CZ-OE1 2.75Å; R317-E321 IonicContact NH1-OE1 2.74Å; R317-E321 PolarHBondContact NH1-OE1 2.78Å; S318-E321 PolarHBondContact O-N 3.38Å; S318-E321 WeakPolarHBondContact OG-CB 3.39Å; S318-E321 PolarHBondContact OG-N 3.42Å; V319-E321 PolarHBondContact O-N 2.96Å; E321-C323 VanDerWaalsContact C-N 3.33Å; E321-C323 PolarHBondContact O-N 3.04Å; E321-R324 PolarHBondContact O-N 3.07Å; E321-K325 WeakPolarHBondContact O-CB 3.42Å; E321-K325 PolarHBondContact O-N 3.06Å
322A79.8Confident76.1Confident17 Ų1791.8 Ų91.814%0.1448%0.48CS..Hα-helixtrans-60.2-43.517500000111.5V313 S318 V319 K325 A326V313-A322 HydrophobicContact CG1-CB 4.38Å; V313-A322 HydrophobicContact CG2-CB 4.39Å; S318-A322 PolarHBondContact O-N 2.82Å; V319-A322 PolarHBondContact O-N 3.33Å; A322-K325 PolarHBondContact O-N 2.95Å; A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.32Å
323C76.1Confident76.5Confident50 Ų5088.2 Ų88.234%0.33847%0.468SS..Hα-helixtrans-61.6-47.5175.1-73.70000112.2V319 E321 K325 A326 Q327V319-C323 WeakPolarHBondContact O-CB 3.49Å; V319-C323 PolarHBondContact O-N 3.14Å; V319-C323 PolarHBondContact O-SG 3Å; V319-C323 VanDerWaalsContact O-SG 3.35Å; E321-C323 VanDerWaalsContact C-N 3.33Å; E321-C323 PolarHBondContact O-N 3.04Å; C323-K325 VanDerWaalsContact C-N 3.32Å; C323-K325 PolarHBondContact O-N 3.03Å; C323-A326 WeakPolarHBondContact O-CB 3.48Å; C323-A326 PolarHBondContact O-N 2.96Å; C323-A326 VanDerWaalsContact O-N 3.14Å; C323-Q327 WeakPolarHBondContact O-CG 3.34Å; C323-Q327 PolarHBondContact O-N 3.29Å
324R82.4Confident77.2Confident157 Ų15786.3 Ų86.359%0.59246%0.455SS*.Hα-helixtrans-59.7-41.7176.6-74.1-175.3-68.5-144.91.5112.3A320 E321 Q327 K328A320-R324 WeakPolarHBondContact O-CG 3.11Å; A320-R324 PolarHBondContact O-N 3.28Å; E321-R324 PolarHBondContact O-N 3.07Å; R324-Q327 PolarHBondContact O-N 2.98Å; R324-K328 PolarHBondContact O-N 3.42Å; R324-K328 VanDerWaalsContact O-N 3.07Å
325K82.4Confident77.7Confident76 Ų7685.4 Ų85.433%0.3346%0.455SS..Hα-helixtrans-64.1-41.9175.7-172.3178.8-179.9-1760111.2E321 A322 C323 K328 I329E321-K325 WeakPolarHBondContact O-CB 3.42Å; E321-K325 PolarHBondContact O-N 3.06Å; A322-K325 PolarHBondContact O-N 2.95Å; C323-K325 VanDerWaalsContact C-N 3.32Å; C323-K325 PolarHBondContact O-N 3.03Å; K325-K328 PolarHBondContact O-N 3.07Å; K325-I329 HydrophobicContact CG-CD1 3.89Å; K325-I329 WeakPolarHBondContact O-CB 3.31Å; K325-I329 VanDerWaalsContact O-CG1 3.26Å; K325-I329 WeakPolarHBondContact O-CG1 3.41Å; K325-I329 PolarHBondContact O-N 3.15Å; K325-I329 VanDerWaalsContact O-N 3.07Å
326A79.6Confident78.3Confident12 Ų1280.9 Ų80.910%0.09944%0.435CS..Hα-helixtrans-63.4-46.8176.300000112.2I311 A322 C323 K328 I329 L330 L334I311-A326 HydrophobicContact CD1-CB 3.45Å; I311-A326 VanDerWaalsContact CD1-CB 3.45Å; A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.32Å; C323-A326 WeakPolarHBondContact O-CB 3.48Å; C323-A326 PolarHBondContact O-N 2.96Å; C323-A326 VanDerWaalsContact O-N 3.14Å; A326-K328 VanDerWaalsContact C-N 3.32Å; A326-K328 PolarHBondContact O-N 3.42Å; A326-I329 PolarHBondContact O-N 2.99Å; A326-I329 VanDerWaalsContact O-N 3.16Å; A326-L330 VanDerWaalsContact O-CB 3.29Å; A326-L330 WeakPolarHBondContact O-CB 3.37Å; A326-L330 WeakPolarHBondContact O-CG 3.36Å; A326-L330 PolarHBondContact O-N 2.73Å; A326-L334 HydrophobicContact CB-CD1 3.61Å
327Q83.9Confident79.2Confident57 Ų5778.2 Ų78.227%0.26641%0.414SS..Hα-helixtrans-54.7-46.8174.7-72.2176.3-10.700111.4C323 R324 I329 Q331 V332 L334C323-Q327 WeakPolarHBondContact O-CG 3.34Å; C323-Q327 PolarHBondContact O-N 3.29Å; R324-Q327 PolarHBondContact O-N 2.98Å; Q327-I329 PolarHBondContact O-N 2.9Å; Q327-Q331 WeakPolarHBondContact O-CA 3.42Å; Q327-Q331 PolarHBondContact O-N 3.39Å; Q327-V332 WeakPolarHBondContact CA-O 3.29Å; Q327-V332 WeakPolarHBondContact CB-O 3.46Å; Q327-V332 WeakPolarHBondContact CG-O 3.38Å; Q327-L334 HydrophobicContact CG-CB 3.63Å; Q327-L334 HydrophobicContact CG-CD1 3.87Å; Q327-L334 HydrophobicContact CG-CG 3.62Å
328K84.7Confident79.9Confident178 Ų17875.9 Ų75.977%0.77441%0.408SS*.Hα-helixtrans-63.4-38.8178.6-173173.9-177.6174.70113.1R324 K325 A326R324-K328 PolarHBondContact O-N 3.42Å; R324-K328 VanDerWaalsContact O-N 3.07Å; K325-K328 PolarHBondContact O-N 3.07Å; A326-K328 VanDerWaalsContact C-N 3.32Å; A326-K328 PolarHBondContact O-N 3.42Å
329I80.3Confident80.1Confident49 Ų4977.3 Ų77.325%0.25141%0.408SS..Hα-helixtrans-76.5-41.8-177.1-71.6170.6000111.6K309 I311 K325 A326 Q327K309-I329 HydrophobicContact CB-CG2 3.83Å; K309-I329 HydrophobicContact CD-CG2 3.69Å; K309-I329 HydrophobicContact CG-CG2 4.07Å; K309-I329 PolarHBondContact NZ-O 3.04Å; I311-I329 HydrophobicContact CG1-CD1 4.12Å; K325-I329 HydrophobicContact CG-CD1 3.89Å; K325-I329 WeakPolarHBondContact O-CB 3.31Å; K325-I329 VanDerWaalsContact O-CG1 3.26Å; K325-I329 WeakPolarHBondContact O-CG1 3.41Å; K325-I329 PolarHBondContact O-N 3.15Å; K325-I329 VanDerWaalsContact O-N 3.07Å; A326-I329 PolarHBondContact O-N 2.99Å; A326-I329 VanDerWaalsContact O-N 3.16Å; Q327-I329 PolarHBondContact O-N 2.9Å
330L77.7Confident80.4Confident86 Ų8675.3 Ų75.345%0.4539%0.392SS..Hα-helixtrans-87.8-16.3-176.5-62.3177.2000112.7A326 V332A326-L330 VanDerWaalsContact O-CB 3.29Å; A326-L330 WeakPolarHBondContact O-CB 3.37Å; A326-L330 WeakPolarHBondContact O-CG 3.36Å; A326-L330 PolarHBondContact O-N 2.73Å; L330-V332 HydrophobicContact CB-CG1 4.5Å; L330-V332 HydrophobicContact CB-CG2 3.8Å; L330-V332 HydrophobicContact CD1-CG2 4.41Å; L330-V332 PolarHBondContact O-N 3.47Å
331Q80.2Confident80.2Confident169 Ų16976.2 Ų76.279%0.7939%0.387SS*.THydrogen-bonded Turntrans55.537-174.5-57.5178.913.400112.5Q327Q327-Q331 WeakPolarHBondContact O-CA 3.42Å; Q327-Q331 PolarHBondContact O-N 3.39Å
332V75.1Confident79.6Confident44 Ų4477.3 Ų77.327%0.26740%0.4SS..SBendtrans-120.1153.6175.6-59.40000109.7Y81 Q327 L330 L334Y81-V332 HydrophobicContact CD1-CG1 4.34Å; Y81-V332 HydrophobicContact CE1-CB 4.23Å; Y81-V332 HydrophobicContact CE1-CG1 4.39Å; Y81-V332 HydrophobicContact CE2-CB 4.32Å; Q327-V332 WeakPolarHBondContact CA-O 3.29Å; Q327-V332 WeakPolarHBondContact CB-O 3.46Å; Q327-V332 WeakPolarHBondContact CG-O 3.38Å; L330-V332 HydrophobicContact CB-CG1 4.5Å; L330-V332 HydrophobicContact CB-CG2 3.8Å; L330-V332 HydrophobicContact CD1-CG2 4.41Å; L330-V332 PolarHBondContact O-N 3.47Å; V332-L334 HydrophobicContact CG2-CD2 3.68Å; V332-L334 HydrophobicContact CG2-CG 4.03Å
333N79.9Confident78.9Confident88 Ų8879.5 Ų79.547%0.47141%0.409SS..  trans-77.9129.5168.6-168.5-10000108.4Y81 S335Y81-N333 WeakPolarHBondContact CE2-O 3.5Å; Y81-N333 VanDerWaalsContact CZ-O 3.24Å; Y81-N333 PolarHBondContact OH-O 3.24Å; N333-S335 VanDerWaalsContact OD1-CB 3.31Å; N333-S335 WeakPolarHBondContact OD1-CB 3.21Å; N333-S335 PolarHBondContact OD1-N 3.21Å; N333-S335 PolarHBondContact OD1-OG 3.12Å
334L78.6Confident78Confident50 Ų5084.2 Ų84.226%0.26243%0.431SS..  trans-110.516.6175.9-62.2177.8000111.8A326 Q327 V332A326-L334 HydrophobicContact CB-CD1 3.61Å; Q327-L334 HydrophobicContact CG-CB 3.63Å; Q327-L334 HydrophobicContact CG-CD1 3.87Å; Q327-L334 HydrophobicContact CG-CG 3.62Å; V332-L334 HydrophobicContact CG2-CD2 3.68Å; V332-L334 HydrophobicContact CG2-CG 4.03Å
335S78.1Confident76.3Confident67 Ų6782.9 Ų82.947%0.46943%0.431SS..SBendtrans-58144.3167.7-66.60000110.2N333 V337N333-S335 VanDerWaalsContact OD1-CB 3.31Å; N333-S335 WeakPolarHBondContact OD1-CB 3.21Å; N333-S335 PolarHBondContact OD1-N 3.21Å; N333-S335 PolarHBondContact OD1-OG 3.12Å; S335-V337 PolarHBondContact O-N 3.38Å
336P78.1Confident74.5Confident81 Ų8182.4 Ų82.453%0.52644%0.441SS..  trans-59.6135.1177.425.3-32.9000109.9L58 I74L58-P336 HydrophobicContact CD2-CG 4.27Å; I74-P336 HydrophobicContact CG2-CB 4.44Å
337V80.1Confident73Confident56 Ų5687.8 Ų87.834%0.33947%0.468SS..EExtended strand (participates in β ladder)trans-109.8124174.5-179.60000107.4L75 V80 S335L75-V337 HydrophobicContact CB-CB 4.36Å; L75-V337 HydrophobicContact CD1-CG1 4.02Å; L75-V337 PolarHBondContact N-O 2.89Å; V80-V337 HydrophobicContact CG1-CG2 4.16Å; V80-V337 HydrophobicContact CG2-CB 3.84Å; V80-V337 HydrophobicContact CG2-CG1 4.29Å; V80-V337 HydrophobicContact CG2-CG2 3.89Å; S335-V337 PolarHBondContact O-N 3.38Å
338I83.4Confident71.1Confident42 Ų4294.9 Ų94.922%0.21549%0.492CS..EExtended strand (participates in β ladder)trans-105.6119.9-178.3-53.4166.2000107.7L52 L58 F61 L62 P72 I340L52-I338 HydrophobicContact CD1-CD1 4.49Å; L58-I338 HydrophobicContact CD1-CD1 3.53Å; L58-I338 HydrophobicContact CD1-CG1 4.46Å; F61-I338 HydrophobicContact CD1-CD1 4.12Å; F61-I338 HydrophobicContact CE1-CD1 3.98Å; L62-I338 HydrophobicContact CD2-CD1 4.05Å; L62-I338 HydrophobicContact CD2-CG1 4.42Å; L62-I338 HydrophobicContact CD2-CG2 3.92Å; P72-I338 HydrophobicContact CB-CG2 3.82Å; I338-I340 HydrophobicContact CG2-CG1 4.13Å
339Q82.3Confident68.9Low95 Ų9592.5 Ų92.544%0.44449%0.488SS..EExtended strand (participates in β ladder)trans-88.5115.4167.7-176.4178.27.200108.3P72 T73 L75P72-Q339 CarbonylContact C-O 3.57Å; P72-Q339 WeakPolarHBondContact CA-O 3.2Å; T73-Q339 PolarHBondContact N-O 3.28Å; T73-Q339 PolarHBondContact O-N 2.98Å; L75-Q339 HydrophobicContact CD1-CB 4.18Å; L75-Q339 HydrophobicContact CD2-CB 4.1Å; L75-Q339 HydrophobicContact CG-CB 4.05Å
340I83.5Confident67.3Low76 Ų7698.4 Ų98.439%0.3951%0.512SS..EExtended strand (participates in β ladder)trans-94.4113.9174.5-54.3176.8000107.2L65 H70 I338L65-I340 HydrophobicContact CD1-CD1 3.64Å; L65-I340 HydrophobicContact CD1-CG1 3.96Å; L65-I340 HydrophobicContact CD2-CD1 4.15Å; H70-I340 HydrophobicContact CB-CG2 3.77Å; I338-I340 HydrophobicContact CG2-CG1 4.13Å
341Q76.6Confident65.6Low78 Ų78103.5 Ų103.536%0.36453%0.525SS..EExtended strand (participates in β ladder)trans-77.2128.4170.8-66.1-177.33.100108.7H70 R71H70-Q341 PolarHBondContact ND1-O 3.23Å; R71-Q341 HydrophobicContact CB-CB 4.24Å; R71-Q341 PolarHBondContact O-N 3.45Å
342P69.8Low63.8Low95 Ų95104.5 Ų104.562%0.61753%0.527SS*.  trans-61.6145.9174.326.5-32.4000109.1N344P342-N344 PolarHBondContact O-N 3.18Å
343L64.9Low62.2Low64 Ų64111.2 Ų111.234%0.33556%0.556SS.*  trans-56.3106.6165.8-81.3142.7000107.5E68 G69 H345E68-L343 VanDerWaalsContact O-CD1 3.24Å; E68-L343 WeakPolarHBondContact O-CD1 3.44Å; G69-L343 WeakPolarHBondContact O-CD2 3.39Å; G69-L343 WeakPolarHBondContact O-CG 3.37Å; L343-H345 PolarHBondContact O-N 3.12Å
344N55.8Low60.4Low148 Ų148116.9 Ų116.979%0.79158%0.576SS**  trans-66.984156.2-70.3-60.7000104.8P342 A346P342-N344 PolarHBondContact O-N 3.18Å; N344-A346 PolarHBondContact O-N 3.28Å
345H46.9Very low58.4Low129 Ų129127.6 Ų127.660%0.59763%0.625SS**  trans-48.4132.8162.5-68.8-76.9000105.9L343 L347L343-H345 PolarHBondContact O-N 3.12Å; H345-L347 HydrophobicContact CB-CB 4.46Å; H345-L347 HydrophobicContact CB-CD1 4.09Å; H345-L347 HydrophobicContact CB-CG 4.02Å; H345-L347 PolarHBondContact O-N 3.07Å
346A45.2Very low57.4Low66 Ų66130.6 Ų130.655%0.54563%0.633SS.*SBendtrans-61.341.2172.300000112.7N344 F350N344-A346 PolarHBondContact O-N 3.28Å; A346-F350 VanDerWaalsContact O-CD2 3.3Å; A346-F350 WeakPolarHBondContact O-CD2 3.26Å; A346-F350 WeakPolarHBondContact O-CE2 3.49Å
347L49.1Very low56.4Low126 Ų126133.2 Ų133.266%0.6664%0.638SS**  trans-96.87.2174.5-67.9177.3000112.2H345H345-L347 HydrophobicContact CB-CB 4.46Å; H345-L347 HydrophobicContact CB-CD1 4.09Å; H345-L347 HydrophobicContact CB-CG 4.02Å; H345-L347 PolarHBondContact O-N 3.07Å
348R43.1Very low55Low206 Ų206137.5 Ų137.578%0.77766%0.655SS**SBendtrans-87.3-24.9162.5-74.3-144.9-168.1-1506.7113
349D39.2Very low53.4Low127 Ų127143.1 Ų143.168%0.67968%0.681SS**G310 helixtrans-92-13.5-168.9-62.1-21.2000114.2R351D349-R351 PolarHBondContact O-N 2.91Å
350F46Very low51.6Low173 Ų173146.1 Ų146.176%0.75970%0.695SS**G310 helixtrans-78.5-3.1170.4-66.4-72.1000114.1A346A346-F350 VanDerWaalsContact O-CD2 3.3Å; A346-F350 WeakPolarHBondContact O-CD2 3.26Å; A346-F350 WeakPolarHBondContact O-CE2 3.49Å
351R42.8Very low49.4Very low193 Ų193150.8 Ų150.873%0.72872%0.716SS**G310 helixtrans-90.63.3-179.5-89.9-158.2-79.1-166-5.7115.7D349D349-R351 PolarHBondContact O-N 2.91Å
352F41.9Very low47.5Very low191 Ų191156 Ų15684%0.83874%0.741SS**SBendtrans-14137.5178.3-66.3-75.1000114.8
353Q40.8Very low45.8Very low184 Ų184160.7 Ų160.786%0.8675%0.75SS**  trans-128.263.6163.8-108.7-175.5-15.600111.1
354K42.2Very low44.2Very low207 Ų207168.8 Ų168.890%0.979%0.785SS**  trans-143.191.3150-81.8-165.9178.91780108.1
355Q37.6Very low43.1Very low275 Ų275170.6 Ų170.6100%1.28578%0.784SS**  trans-131.50143.8-84.1-167.6-24.700107.7

Retrieved 355 of 355 residues in 66.9 ms (Link to these results)