A0A061IBJ3_CRIGR Loading...

Growth arrest and DNA damage-inducible protein GADD45 gamma

Involved in the regulation of growth and apoptosis. Mediates activation of stress-responsive MTK1/MEKK4 MAPKKK.

AlphaFold DB , UniProt , Accession A0A061IBJ3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gadd45g, Length 159 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
1M36.2Very low45.7Very low243 Ų243160.8 Ų160.8100%1.19783%0.833SS**  0114.60-70.7-164.8-67.500106.6
2T51.5Low46.1Very low126 Ų126156.1 Ų156.177%0.77382%0.816SS**  trans-76.5137.2170.5430000108.3
3L44.9Very low46.7Very low174 Ų174151.7 Ų151.791%0.91180%0.803SS**  trans-132.590.3163.8-113.3145.6000105.6
4E45.2Very low47.5Very low161 Ų161151.4 Ų151.475%0.75280%0.795SS**  trans-71.5138.1169.3-71.9171.3119.600109.6
5E49.7Very low48.9Very low174 Ų174145.4 Ų145.481%0.81377%0.771SS**  trans8.5140147.2-61.6173.9114.700119.9
6V45.2Very low50.7Low134 Ų134140.6 Ų140.681%0.81275%0.749SS**  168.9114.7115.4158.90000108.4
7R40.8Very low52.7Low254 Ų254135.8 Ų135.896%0.95873%0.734SS**  trans-168.760.8144.8-105.9173.5177.3-158.1-3.1109.4
8G48.8Very low54.7Low61 Ų61132.4 Ų132.463%0.62971%0.709SS**  trans-100.7141.7156.100000108.4
9Q47.2Very low56.6Low184 Ų184129.1 Ų129.186%0.8669%0.689SS**  trans82.498.7167.5-72146.10.800117.9
10D41Very low58.3Low155 Ų155129 Ų12983%0.82968%0.684SS**SBendtrans-164.722137.9-92.6-24.9000114.3
11T51.8Low60.1Low103 Ų103123.4 Ų123.463%0.63266%0.658SS**  trans-113.4-6.7-16653.90000117.9S15T11-S15 WeakPolarHBondContact O-CB 3.43Å; T11-S15 PolarHBondContact O-N 3.36Å; T11-S15 PolarHBondContact O-OG 3.14Å
12V50.7Low63Low104 Ų104112 Ų11263%0.6360%0.602SS**Hα-helixtrans-75.3-41-170.2-171.20000115.5S15 T16V12-S15 PolarHBondContact O-OG 3.09Å; V12-T16 WeakPolarHBondContact O-CG2 3.43Å; V12-T16 PolarHBondContact O-N 2.98Å; V12-T16 PolarHBondContact O-OG1 3.31Å
13P53.6Low65.2Low99 Ų99106 Ų10664%0.64357%0.565SS**Hα-helixtrans-74-28.6-179.426.8-31.4000112.8T16 A17P13-T16 WeakPolarHBondContact CA-OG1 3.28Å; P13-T16 PolarHBondContact O-OG1 3.04Å; P13-A17 WeakPolarHBondContact O-CB 3.43Å; P13-A17 PolarHBondContact O-N 2.71Å
14E57.8Low67.7Low147 Ų147103.4 Ų103.469%0.68755%0.546SS*.Hα-helixtrans-76.8-39.7178.7-163.8168.4-15400111.6T16 A17 R18E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.13Å; E14-A17 PolarHBondContact O-N 3.24Å; E14-R18 VanDerWaalsContact O-CB 3.26Å; E14-R18 WeakPolarHBondContact O-CB 3.47Å; E14-R18 PolarHBondContact O-N 3.1Å
15S69.6Low70.2Confident62 Ų6295.8 Ų95.843%0.43451%0.511SS..Hα-helixtrans-65.1-37.2176.573.80000112.7T11 V12 M19T11-S15 WeakPolarHBondContact O-CB 3.43Å; T11-S15 PolarHBondContact O-N 3.36Å; T11-S15 PolarHBondContact O-OG 3.14Å; V12-S15 PolarHBondContact O-OG 3.09Å; S15-M19 WeakPolarHBondContact O-CB 3.43Å; S15-M19 PolarHBondContact O-N 3.03Å
16T77.7Confident72.5Confident68 Ų6887.5 Ų87.542%0.41747%0.472SS..Hα-helixtrans-71.5-43.3178.147.10000112.4V12 P13 E14 R18 M19 Q20V12-T16 WeakPolarHBondContact O-CG2 3.43Å; V12-T16 PolarHBondContact O-N 2.98Å; V12-T16 PolarHBondContact O-OG1 3.31Å; P13-T16 WeakPolarHBondContact CA-OG1 3.28Å; P13-T16 PolarHBondContact O-OG1 3.04Å; E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.13Å; T16-R18 VanDerWaalsContact C-N 3.33Å; T16-R18 PolarHBondContact O-N 3.14Å; T16-M19 PolarHBondContact O-N 3.44Å; T16-Q20 WeakPolarHBondContact O-CG 3.46Å; T16-Q20 PolarHBondContact O-N 3.21Å
17A85.1Confident74.9Confident60 Ų6083.3 Ų83.350%0.49644%0.444SS..Hα-helixtrans-63.6-39.2174.600000112P13 E14 G21P13-A17 WeakPolarHBondContact O-CB 3.43Å; P13-A17 PolarHBondContact O-N 2.71Å; E14-A17 PolarHBondContact O-N 3.24Å; A17-G21 PolarHBondContact O-N 3.36Å
18R87.9Confident77.6Confident75 Ų7576.9 Ų76.928%0.28343%0.425SS..Hα-helixtrans-60.1-51173.6178.3-179.7175.7-125.9-12.1111.4E14 T16 Q20 G21 A22 F141 E144 S145E14-R18 VanDerWaalsContact O-CB 3.26Å; E14-R18 WeakPolarHBondContact O-CB 3.47Å; E14-R18 PolarHBondContact O-N 3.1Å; T16-R18 VanDerWaalsContact C-N 3.33Å; T16-R18 PolarHBondContact O-N 3.14Å; R18-Q20 PolarHBondContact O-N 3.3Å; R18-G21 CarbonylContact O-C 3.2Å; R18-G21 WeakPolarHBondContact O-CA 3.29Å; R18-G21 PolarHBondContact O-N 3.13Å; R18-G21 VanDerWaalsContact O-N 3.09Å; R18-A22 PolarHBondContact O-N 3.01Å; R18-F141 HydrophobicContact CG-CD2 3.98Å; R18-F141 HydrophobicContact CG-CE2 4.25Å; R18-F141 PolarHBondContact NH2-O 2.97Å; R18-E144 IonicContact CZ-OE2 3.36Å; R18-E144 IonicContact NE-OE2 2.71Å; R18-E144 PolarHBondContact NE-OE2 3.11Å; R18-E144 IonicContact NH2-OE2 3.52Å; R18-S145 PolarHBondContact NH2-OG 3.33Å
19M89.9Confident79.9Confident68 Ų6874 Ų7434%0.33540%0.395SS..Hα-helixtrans-60.1-45.7179.4-17162.47000112.1S15 T16 G21 A22 G23 F141 S154S15-M19 WeakPolarHBondContact O-CB 3.43Å; S15-M19 PolarHBondContact O-N 3.03Å; T16-M19 PolarHBondContact O-N 3.44Å; M19-G21 VanDerWaalsContact C-N 3.28Å; M19-G21 PolarHBondContact O-N 3.43Å; M19-A22 PolarHBondContact O-N 3.14Å; M19-G23 PolarHBondContact O-N 3.28Å; M19-F141 HydrophobicContact CE-CZ 4.3Å; M19-F141 HydrophobicContact SD-CZ 4.27Å; M19-S154 WeakPolarHBondContact CE-O 3.46Å; M19-S154 VanDerWaalsContact SD-O 3.4Å
20Q91.5Very high82.2Confident128 Ų12865.2 Ų65.260%0.59835%0.354SS*.Hα-helixtrans-62.1-38.2174.3-71.8175.96.600112T16 R18 K24T16-Q20 WeakPolarHBondContact O-CG 3.46Å; T16-Q20 PolarHBondContact O-N 3.21Å; R18-Q20 PolarHBondContact O-N 3.3Å; Q20-K24 WeakPolarHBondContact O-CG 3.45Å; Q20-K24 PolarHBondContact O-N 2.94Å; Q20-K24 VanDerWaalsContact O-N 3.11Å
21G95.6Very high84.7Confident12 Ų1260.7 Ų60.712%0.12433%0.329CS..Hα-helixtrans-62.7-41.2175.700000112.9A17 R18 M19 A25 K137A17-G21 PolarHBondContact O-N 3.36Å; R18-G21 CarbonylContact O-C 3.2Å; R18-G21 WeakPolarHBondContact O-CA 3.29Å; R18-G21 PolarHBondContact O-N 3.13Å; R18-G21 VanDerWaalsContact O-N 3.09Å; M19-G21 VanDerWaalsContact C-N 3.28Å; M19-G21 PolarHBondContact O-N 3.43Å; G21-A25 WeakPolarHBondContact O-CB 3.4Å; G21-A25 PolarHBondContact O-N 3.42Å; G21-A25 VanDerWaalsContact O-N 3.14Å; G21-K137 VanDerWaalsContact CA-NZ 3.32Å; G21-K137 WeakPolarHBondContact O-CE 3.49Å; G21-K137 PolarHBondContact O-NZ 2.88Å
22A97.3Very high86.6Confident2 Ų256.4 Ų56.42%0.01730%0.303CS..Hα-helixtrans-70.2-43.2177.300000111.5R18 M19 K24 A25 L26 L138 F141 I155R18-A22 PolarHBondContact O-N 3.01Å; M19-A22 PolarHBondContact O-N 3.14Å; A22-K24 PolarHBondContact O-N 3.27Å; A22-A25 PolarHBondContact O-N 3.46Å; A22-L26 WeakPolarHBondContact O-CB 3.24Å; A22-L26 PolarHBondContact O-N 2.88Å; A22-L138 HydrophobicContact CB-CD2 4.28Å; A22-F141 HydrophobicContact CB-CB 4.47Å; A22-F141 HydrophobicContact CB-CD1 4.24Å; A22-F141 HydrophobicContact CB-CD2 3.67Å; A22-F141 HydrophobicContact CB-CE1 4.4Å; A22-F141 HydrophobicContact CB-CE2 3.86Å; A22-F141 HydrophobicContact CB-CG 3.87Å; A22-F141 HydrophobicContact CB-CZ 4.22Å; A22-I155 HydrophobicContact CB-CD1 3.95Å; A22-I155 HydrophobicContact CB-CG1 4.25Å
23G97.6Very high88.6Confident1 Ų151.4 Ų51.41%0.0127%0.273CS..Hα-helixtrans-58.2-44.1175.200000113.2M19 L26 H27 T156 P158M19-G23 PolarHBondContact O-N 3.28Å; G23-L26 PolarHBondContact O-N 3.42Å; G23-H27 PolarHBondContact O-N 2.66Å; G23-T156 WeakPolarHBondContact CA-O 3.44Å; G23-P158 WeakPolarHBondContact O-CD 3.47Å
24K97.3Very high90.4Very high119 Ų11950.5 Ų50.552%0.51726%0.26SS..Hα-helixtrans-64.3-42.8174.7-72.3177.9-179.5-179.90112.5Q20 A22 H27 E28Q20-K24 WeakPolarHBondContact O-CG 3.45Å; Q20-K24 PolarHBondContact O-N 2.94Å; Q20-K24 VanDerWaalsContact O-N 3.11Å; A22-K24 PolarHBondContact O-N 3.27Å; K24-H27 WeakPolarHBondContact O-CB 3.15Å; K24-H27 PolarHBondContact O-N 2.92Å; K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 2.85Å
25A97.9Very high91.9Very high1 Ų153 Ų531%0.00826%0.264CS..Hα-helixtrans-62.9-44177.200000111.2G21 A22 H27 E28 L29 A134 K137 L138G21-A25 WeakPolarHBondContact O-CB 3.4Å; G21-A25 PolarHBondContact O-N 3.42Å; G21-A25 VanDerWaalsContact O-N 3.14Å; A22-A25 PolarHBondContact O-N 3.46Å; A25-H27 VanDerWaalsContact C-N 3.33Å; A25-H27 PolarHBondContact O-N 2.95Å; A25-E28 PolarHBondContact O-N 3.06Å; A25-L29 VanDerWaalsContact O-CB 3.31Å; A25-L29 WeakPolarHBondContact O-CB 3.27Å; A25-L29 PolarHBondContact O-N 3.49Å; A25-A134 HydrophobicContact CB-CB 4.11Å; A25-A134 WeakPolarHBondContact O-CB 3.44Å; A25-K137 HydrophobicContact CB-CB 4.38Å; A25-K137 HydrophobicContact CB-CD 4.05Å; A25-K137 HydrophobicContact CB-CG 4.35Å; A25-L138 HydrophobicContact CB-CD1 4.46Å; A25-L138 HydrophobicContact CB-CD2 4.11Å; A25-L138 HydrophobicContact CB-CG 3.94Å
26L98.1Very high92.8Very high0 Ų054.1 Ų54.10%026%0.262CS..Hα-helixtrans-60-44.1176.6-176.757.9000111.7A22 G23 L29 L30 F59 V61 V93 V95 L138 I155 L157A22-L26 WeakPolarHBondContact O-CB 3.24Å; A22-L26 PolarHBondContact O-N 2.88Å; G23-L26 PolarHBondContact O-N 3.42Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-L30 HydrophobicContact CD1-CD1 4.18Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 4.01Å; L26-L30 HydrophobicContact CG-CG 4.5Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 WeakPolarHBondContact O-CD1 3.11Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.08Å; L26-F59 HydrophobicContact CD1-CE1 4Å; L26-V61 HydrophobicContact CD1-CG2 3.87Å; L26-V93 HydrophobicContact CD2-CG2 4.35Å; L26-V95 HydrophobicContact CD2-CG2 3.68Å; L26-L138 HydrophobicContact CB-CD1 4.22Å; L26-L138 HydrophobicContact CB-CD2 4.22Å; L26-L138 HydrophobicContact CD1-CD1 4.13Å; L26-I155 HydrophobicContact CB-CG2 4.44Å; L26-I155 HydrophobicContact CD2-CB 4.21Å; L26-I155 HydrophobicContact CD2-CD1 4.31Å; L26-I155 HydrophobicContact CD2-CG2 3.9Å; L26-L157 HydrophobicContact CB-CD2 4.41Å; L26-L157 HydrophobicContact CD2-CD2 3.79Å; L26-L157 HydrophobicContact CG-CD2 4.02Å
27H96.9Very high93.4Very high47 Ų4754.1 Ų54.122%0.21828%0.276CS..Hα-helixtrans-58.1-49.8174.3-176.9117.7000112G23 K24 A25 L29 L30 L31 I104 P158G23-H27 PolarHBondContact O-N 2.66Å; K24-H27 WeakPolarHBondContact O-CB 3.15Å; K24-H27 PolarHBondContact O-N 2.92Å; A25-H27 VanDerWaalsContact C-N 3.33Å; A25-H27 PolarHBondContact O-N 2.95Å; H27-L29 VanDerWaalsContact C-N 3.35Å; H27-L29 PolarHBondContact O-N 3.29Å; H27-L30 PolarHBondContact O-N 3.11Å; H27-L31 WeakPolarHBondContact NE2-CD1 3.26Å; H27-L31 WeakPolarHBondContact O-CG 3.36Å; H27-L31 PolarHBondContact O-N 3.26Å; H27-I104 HydrophobicContact CB-CD1 4.4Å; H27-I104 WeakPolarHBondContact ND1-CD1 3.36Å; H27-P158 HydrophobicContact CB-CG 4.07Å
28E96.2Very high93.7Very high119 Ų11951.9 Ų51.956%0.55626%0.256SS*.Hα-helixtrans-61.5-42.7179.1-73.3171.3-177.900111.9K24 A25 L31 S32 A134K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 2.85Å; A25-E28 PolarHBondContact O-N 3.06Å; E28-L31 PolarHBondContact O-N 2.91Å; E28-S32 VanDerWaalsContact O-CB 3.26Å; E28-S32 WeakPolarHBondContact O-CB 3.44Å; E28-S32 PolarHBondContact O-N 3.43Å; E28-A134 HydrophobicContact CB-CB 4.09Å
29L96.6Very high94Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-64.5-44.9179.3-177.960.6000111.6A25 L26 H27 L31 S32 A33 F59 I122 W130 D132 A134 L135 L138A25-L29 VanDerWaalsContact O-CB 3.31Å; A25-L29 WeakPolarHBondContact O-CB 3.27Å; A25-L29 PolarHBondContact O-N 3.49Å; L26-L29 PolarHBondContact O-N 2.86Å; H27-L29 VanDerWaalsContact C-N 3.35Å; H27-L29 PolarHBondContact O-N 3.29Å; L29-L31 PolarHBondContact O-N 2.8Å; L29-S32 WeakPolarHBondContact O-CB 3.46Å; L29-S32 PolarHBondContact O-N 2.86Å; L29-A33 VanDerWaalsContact O-CB 3.26Å; L29-A33 WeakPolarHBondContact O-CB 3.26Å; L29-A33 PolarHBondContact O-N 2.99Å; L29-F59 HydrophobicContact CD2-CD1 4.37Å; L29-F59 HydrophobicContact CD2-CG 4.36Å; L29-I122 HydrophobicContact CD1-CG2 4.48Å; L29-I122 HydrophobicContact CD2-CD1 3.64Å; L29-I122 HydrophobicContact CG-CD1 3.74Å; L29-W130 HydrophobicContact CD1-CH2 3.93Å; L29-W130 HydrophobicContact CD1-CZ2 3.99Å; L29-D132 HydrophobicContact CD1-CB 4.12Å; L29-A134 HydrophobicContact CB-CB 4.03Å; L29-L135 HydrophobicContact CD1-CB 3.98Å; L29-L135 HydrophobicContact CD2-CB 4.24Å; L29-L135 HydrophobicContact CD2-CD1 3.9Å; L29-L138 HydrophobicContact CB-CD1 4.26Å; L29-L138 HydrophobicContact CD2-CD1 3.52Å
30L95.6Very high94.3Very high0 Ų048.5 Ų48.50%025%0.246CC..Hα-helixtrans-60-45.7177.7-72.5165.2000111.5L26 H27 S32 A33 Q34 L39 L101 I104 V105 I120 I122L26-L30 HydrophobicContact CD1-CD1 4.18Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 4.01Å; L26-L30 HydrophobicContact CG-CG 4.5Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 WeakPolarHBondContact O-CD1 3.11Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.08Å; H27-L30 PolarHBondContact O-N 3.11Å; L30-S32 PolarHBondContact O-N 3.07Å; L30-A33 PolarHBondContact O-N 3.17Å; L30-Q34 VanDerWaalsContact O-CB 3.27Å; L30-Q34 WeakPolarHBondContact O-CB 3.31Å; L30-Q34 PolarHBondContact O-N 2.99Å; L30-L39 HydrophobicContact CD2-CD1 4.25Å; L30-L101 HydrophobicContact CD1-CD1 3.42Å; L30-L101 VanDerWaalsContact CD1-CD1 3.42Å; L30-L101 HydrophobicContact CD2-CD1 4.23Å; L30-L101 HydrophobicContact CG-CD1 4.48Å; L30-I104 HydrophobicContact CB-CG2 3.78Å; L30-I104 HydrophobicContact CD1-CG2 4.16Å; L30-V105 HydrophobicContact CB-CG1 4.43Å; L30-V105 HydrophobicContact CD2-CG1 4.23Å; L30-I120 HydrophobicContact CD2-CD1 4.24Å; L30-I120 HydrophobicContact CD2-CG2 4.17Å; L30-I122 HydrophobicContact CD2-CD1 4.46Å
31L93.6Very high94.5Very high60 Ų6044.2 Ų44.231%0.31423%0.233SC..Hα-helixtrans-65.6-37.6175.8-69.6179.4000112.8H27 E28 L29 R35 I104H27-L31 WeakPolarHBondContact NE2-CD1 3.26Å; H27-L31 WeakPolarHBondContact O-CG 3.36Å; H27-L31 PolarHBondContact O-N 3.26Å; E28-L31 PolarHBondContact O-N 2.91Å; L29-L31 PolarHBondContact O-N 2.8Å; L31-R35 WeakPolarHBondContact O-CB 3.44Å; L31-R35 VanDerWaalsContact O-CG 3.28Å; L31-R35 WeakPolarHBondContact O-CG 3.28Å; L31-R35 PolarHBondContact O-N 3.5Å; L31-R35 VanDerWaalsContact O-N 3.14Å; L31-R35 PolarHBondContact O-NE 2.9Å; L31-I104 HydrophobicContact CD2-CG2 4.02Å; L31-I104 VanDerWaalsContact CD2-O 3.31Å; L31-I104 WeakPolarHBondContact CD2-O 3.29Å; L31-I104 HydrophobicContact CG-CG2 4.07Å
32S92.6Very high94.5Very high12 Ų1243.7 Ų43.78%0.08423%0.227CC..Hα-helixtrans-65.3-46.7176.5-171.90000111.1E28 L29 L30 R35 Q36 D132E28-S32 VanDerWaalsContact O-CB 3.26Å; E28-S32 WeakPolarHBondContact O-CB 3.44Å; E28-S32 PolarHBondContact O-N 3.43Å; L29-S32 WeakPolarHBondContact O-CB 3.46Å; L29-S32 PolarHBondContact O-N 2.86Å; L30-S32 PolarHBondContact O-N 3.07Å; S32-R35 PolarHBondContact O-N 3.23Å; S32-Q36 WeakPolarHBondContact O-CB 3.4Å; S32-Q36 WeakPolarHBondContact O-CG 3.35Å; S32-Q36 PolarHBondContact O-N 3.47Å; S32-Q36 VanDerWaalsContact O-N 3.11Å; S32-Q36 PolarHBondContact O-NE2 3.19Å; S32-Q36 PolarHBondContact OG-NE2 3.38Å; S32-Q36 VanDerWaalsContact OG-NE2 3.08Å; S32-D132 WeakPolarHBondContact CB-OD2 3.39Å; S32-D132 PolarHBondContact OG-OD2 3.24Å
33A92.8Very high94.4Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-65.8-43.7179.700000112.1L29 L30 Q36 G37 C38 L39 I122 W130L29-A33 VanDerWaalsContact O-CB 3.26Å; L29-A33 WeakPolarHBondContact O-CB 3.26Å; L29-A33 PolarHBondContact O-N 2.99Å; L30-A33 PolarHBondContact O-N 3.17Å; A33-Q36 CarbonylContact O-C 3.53Å; A33-Q36 PolarHBondContact O-N 3.45Å; A33-G37 PolarHBondContact O-N 3.06Å; A33-C38 VanDerWaalsContact CA-SG 3.51Å; A33-C38 PolarHBondContact O-N 3.17Å; A33-L39 HydrophobicContact CB-CB 4.37Å; A33-I122 HydrophobicContact CB-CG1 4.01Å; A33-I122 HydrophobicContact CB-CG2 4.02Å; A33-W130 HydrophobicContact CB-CH2 4.13Å
34Q91.2Very high94.3Very high79 Ų7950.7 Ų50.737%0.36925%0.254SS..Hα-helixtrans-59.7-48.3176-171-162.717.700111.2L30 Q36 G37 L39 V105L30-Q34 VanDerWaalsContact O-CB 3.27Å; L30-Q34 WeakPolarHBondContact O-CB 3.31Å; L30-Q34 PolarHBondContact O-N 2.99Å; Q34-Q36 PolarHBondContact O-N 2.87Å; Q34-G37 PolarHBondContact O-N 3.44Å; Q34-G37 VanDerWaalsContact O-N 3.13Å; Q34-L39 HydrophobicContact CB-CD1 4.47Å; Q34-V105 PolarHBondContact NE2-O 3.27Å
35R89.4Confident94.2Very high201 Ų20149.9 Ų49.976%0.75825%0.252SS*.Hα-helixtrans-63.2-30.6178.8-75.9-175-62155.80.9113.3L31 S32L31-R35 WeakPolarHBondContact O-CB 3.44Å; L31-R35 VanDerWaalsContact O-CG 3.28Å; L31-R35 WeakPolarHBondContact O-CG 3.28Å; L31-R35 PolarHBondContact O-N 3.5Å; L31-R35 VanDerWaalsContact O-N 3.14Å; L31-R35 PolarHBondContact O-NE 2.9Å; S32-R35 PolarHBondContact O-N 3.23Å
36Q88.8Confident94.2Very high85 Ų8549.8 Ų49.840%0.39725%0.252SS..Hα-helixtrans-88.1-7.1178.6-70.6179.980.200113.3S32 A33 Q34 C38 W130S32-Q36 WeakPolarHBondContact O-CB 3.4Å; S32-Q36 WeakPolarHBondContact O-CG 3.35Å; S32-Q36 PolarHBondContact O-N 3.47Å; S32-Q36 VanDerWaalsContact O-N 3.11Å; S32-Q36 PolarHBondContact O-NE2 3.19Å; S32-Q36 PolarHBondContact OG-NE2 3.38Å; S32-Q36 VanDerWaalsContact OG-NE2 3.08Å; A33-Q36 CarbonylContact O-C 3.53Å; A33-Q36 PolarHBondContact O-N 3.45Å; Q34-Q36 PolarHBondContact O-N 2.87Å; Q36-C38 VanDerWaalsContact C-N 3.31Å; Q36-W130 VanDerWaalsContact NE2-CE2 3.28Å
37G89.9Confident94.2Very high68 Ų6851.6 Ų51.670%0.70127%0.266SS*.THydrogen-bonded Turntrans68.628.1-179.200000113.7A33 Q34A33-G37 PolarHBondContact O-N 3.06Å; Q34-G37 PolarHBondContact O-N 3.44Å; Q34-G37 VanDerWaalsContact O-N 3.13Å
38C92.3Very high94.2Very high12 Ų1256.6 Ų56.68%0.08129%0.287CS..  trans-108.921.6179.165.10000113.5A33 Q36 S123 P125 W130A33-C38 VanDerWaalsContact CA-SG 3.51Å; A33-C38 PolarHBondContact O-N 3.17Å; Q36-C38 VanDerWaalsContact C-N 3.31Å; C38-S123 VanDerWaalsContact CB-O 3.24Å; C38-S123 WeakPolarHBondContact CB-O 3.35Å; C38-S123 PolarHBondContact O-N 3.02Å; C38-S123 PolarHBondContact SG-O 3.26Å; C38-P125 HydrophobicContact CB-CB 4.04Å; C38-P125 HydrophobicContact CB-CG 4.47Å; C38-W130 VanDerWaalsContact SG-CH2 3.56Å
39L94Very high94.2Very high40 Ų4052.8 Ų52.821%0.20927%0.272CS..EExtended strand (participates in β ladder)trans-100.7128.9176.5-166.9155.5000109.6L30 A33 Q34 A41 V105 I120 L121L30-L39 HydrophobicContact CD2-CD1 4.25Å; A33-L39 HydrophobicContact CB-CB 4.37Å; Q34-L39 HydrophobicContact CB-CD1 4.47Å; L39-A41 HydrophobicContact CD2-CB 3.86Å; L39-V105 HydrophobicContact CD1-CG1 3.94Å; L39-I120 HydrophobicContact CD1-CG2 3.88Å; L39-I120 HydrophobicContact CD2-CG2 3.67Å; L39-I120 HydrophobicContact CG-CG2 3.53Å; L39-L121 WeakPolarHBondContact CA-O 3.2Å
40T95.3Very high94.3Very high32 Ų3253 Ų5320%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-108.3126.1166.4-57.70000108.4E45 V49 I120 L121T40-E45 HydrophobicContact CG2-CB 3.75Å; T40-V49 HydrophobicContact CG2-CG2 3.95Å; T40-I120 CarbonylContact O-C 3.59Å; T40-I120 VanDerWaalsContact O-CA 3.27Å; T40-I120 WeakPolarHBondContact O-CA 3.34Å; T40-L121 PolarHBondContact N-O 3.28Å; T40-L121 PolarHBondContact O-N 3.04Å
41A95.1Very high94.3Very high39 Ų3959.5 Ų59.532%0.32231%0.308SS..EExtended strand (participates in β ladder)trans-115.7139.6-179.500000110.3L39 E45 L117L39-A41 HydrophobicContact CD2-CB 3.86Å; A41-E45 WeakPolarHBondContact O-CB 3.08Å; A41-L117 HydrophobicContact CB-CD2 3.87Å
42G95.3Very high94.5Very high1 Ų162 Ų621%0.0133%0.326CS..SBendtrans111.7143178.600000112Y44 S46 D116 C119G42-Y44 PolarHBondContact O-N 3.12Å; G42-S46 WeakPolarHBondContact O-CB 3.44Å; G42-S46 PolarHBondContact O-N 2.9Å; G42-S46 PolarHBondContact O-OG 3.29Å; G42-D116 WeakPolarHBondContact CA-O 3.39Å; G42-D116 PolarHBondContact N-O 3.26Å; G42-C119 PolarHBondContact N-O 3.39Å
43V96.6Very high94.6Very high3 Ų365 Ų652%0.01834%0.341CS..Hα-helixtrans-62.8-44.9-178.3174.40000110.9A47 L74 H77 F78 I81 D116 H118 C119V43-A47 WeakPolarHBondContact O-CB 3.48Å; V43-A47 PolarHBondContact O-N 2.79Å; V43-L74 HydrophobicContact CG2-CD1 3.83Å; V43-H77 HydrophobicContact CG1-CB 3.38Å; V43-F78 HydrophobicContact CG2-CE1 4.3Å; V43-I81 HydrophobicContact CG1-CD1 3.99Å; V43-D116 PolarHBondContact N-OD2 2.98Å; V43-H118 HydrophobicContact CG2-CB 3.72Å; V43-C119 HydrophobicContact CB-CB 4.48Å; V43-C119 HydrophobicContact CG2-CB 4.01Å
44Y95.6Very high94.7Very high146 Ų14666.2 Ų66.257%0.57335%0.349SS*.Hα-helixtrans-73-42.6-177.5-67.3-78000112.2G42 S46 A47 K48 H77G42-Y44 PolarHBondContact O-N 3.12Å; Y44-S46 VanDerWaalsContact C-N 3.33Å; Y44-A47 PolarHBondContact O-N 3.49Å; Y44-K48 WeakPolarHBondContact O-CB 3.29Å; Y44-K48 PolarHBondContact O-N 3.27Å; Y44-H77 AromaticContact CE1-NE2 3.54Å; Y44-H77 AromaticContact CZ-NE2 3.9Å
45E95.5Very high94.8Very high102 Ų10269.7 Ų69.748%0.47737%0.37SS..Hα-helixtrans-60.8-44.8175.7-74.863.7-14800110.5T40 A41 K48 V49T40-E45 HydrophobicContact CG2-CB 3.75Å; A41-E45 WeakPolarHBondContact O-CB 3.08Å; E45-K48 WeakPolarHBondContact O-CB 3.13Å; E45-K48 PolarHBondContact O-N 3.33Å; E45-V49 WeakPolarHBondContact O-CG2 3.44Å; E45-V49 PolarHBondContact O-N 2.76Å
46S97.3Very high94.9Very high0 Ų062.5 Ų62.50%035%0.347CS..Hα-helixtrans-63.3-48.9176.9-61.60000111.6G42 Y44 K48 V49 L50 C119 L121G42-S46 WeakPolarHBondContact O-CB 3.44Å; G42-S46 PolarHBondContact O-N 2.9Å; G42-S46 PolarHBondContact O-OG 3.29Å; Y44-S46 VanDerWaalsContact C-N 3.33Å; S46-K48 PolarHBondContact O-N 3.43Å; S46-V49 PolarHBondContact O-N 2.9Å; S46-V49 VanDerWaalsContact O-N 3.14Å; S46-L50 WeakPolarHBondContact O-CG 3.32Å; S46-L50 PolarHBondContact O-N 2.76Å; S46-C119 WeakPolarHBondContact CB-SG 3.35Å; S46-C119 PolarHBondContact OG-SG 3.09Å; S46-L121 WeakPolarHBondContact O-CD1 3.35Å
47A97.3Very high95.3Very high37 Ų3758.9 Ų58.931%0.30633%0.33SS..Hα-helixtrans-58.7-36.5176.100000112.4V43 Y44 N51V43-A47 WeakPolarHBondContact O-CB 3.48Å; V43-A47 PolarHBondContact O-N 2.79Å; Y44-A47 PolarHBondContact O-N 3.49Å; A47-N51 WeakPolarHBondContact O-CB 3.5Å; A47-N51 PolarHBondContact O-N 2.89Å; A47-N51 VanDerWaalsContact O-N 3.1Å
48K97.3Very high95.5Very high152 Ų15257.5 Ų57.566%0.66131%0.308SS*.Hα-helixtrans-65.9-44.3175.7-176.6-176.1175.8-1720112Y44 E45 S46 N51 V52Y44-K48 WeakPolarHBondContact O-CB 3.29Å; Y44-K48 PolarHBondContact O-N 3.27Å; E45-K48 WeakPolarHBondContact O-CB 3.13Å; E45-K48 PolarHBondContact O-N 3.33Å; S46-K48 PolarHBondContact O-N 3.43Å; K48-N51 PolarHBondContact O-N 3.19Å; K48-V52 VanDerWaalsContact O-CG2 3.29Å; K48-V52 WeakPolarHBondContact O-CG2 3.41Å; K48-V52 PolarHBondContact O-N 2.81Å
49V97.2Very high95.8Very high40 Ų4056.9 Ų56.924%0.24230%0.304CS..Hα-helixtrans-62.9-49.1177.6170.10000110.5T40 E45 S46 N51 V52 D53 V57 L121T40-V49 HydrophobicContact CG2-CG2 3.95Å; E45-V49 WeakPolarHBondContact O-CG2 3.44Å; E45-V49 PolarHBondContact O-N 2.76Å; S46-V49 PolarHBondContact O-N 2.9Å; S46-V49 VanDerWaalsContact O-N 3.14Å; V49-N51 PolarHBondContact O-N 2.87Å; V49-V52 PolarHBondContact O-N 2.98Å; V49-D53 PolarHBondContact O-N 3.2Å; V49-V57 HydrophobicContact CG1-CG2 3.73Å; V49-L121 HydrophobicContact CB-CD1 3.99Å; V49-L121 HydrophobicContact CG1-CD1 4.05Å
50L97.8Very high96Very high4 Ų455 Ų552%0.02129%0.294CS..Hα-helixtrans-56.2-36.4177.1-71.4170.8000112.5S46 V52 P54 V57 I81 F84 I90 L121S46-L50 WeakPolarHBondContact O-CG 3.32Å; S46-L50 PolarHBondContact O-N 2.76Å; L50-V52 VanDerWaalsContact C-N 3.34Å; L50-P54 WeakPolarHBondContact O-CB 3.37Å; L50-P54 WeakPolarHBondContact O-CD 3.34Å; L50-V57 HydrophobicContact CD2-CB 4.39Å; L50-V57 HydrophobicContact CD2-CG1 4.26Å; L50-V57 HydrophobicContact CD2-CG2 4.21Å; L50-I81 HydrophobicContact CD1-CG1 4.49Å; L50-I81 HydrophobicContact CD1-CG2 3.97Å; L50-F84 HydrophobicContact CB-CD1 3.85Å; L50-F84 HydrophobicContact CB-CE1 3.68Å; L50-F84 HydrophobicContact CB-CZ 4.21Å; L50-F84 HydrophobicContact CD1-CD1 4.14Å; L50-F84 HydrophobicContact CD2-CD1 3.87Å; L50-F84 HydrophobicContact CD2-CE1 3.85Å; L50-F84 HydrophobicContact CG-CD1 4.16Å; L50-F84 HydrophobicContact CG-CE1 4.26Å; L50-F84 WeakPolarHBondContact O-CZ 3.35Å; L50-I90 HydrophobicContact CD2-CD1 3.55Å; L50-L121 HydrophobicContact CD1-CD1 4.33Å; L50-L121 HydrophobicContact CD1-CD2 4.41Å; L50-L121 HydrophobicContact CD2-CD1 4.19Å; L50-L121 HydrophobicContact CD2-CD2 4.49Å; L50-L121 HydrophobicContact CG-CD1 3.8Å
51N96Very high96.2Very high136 Ų13653.5 Ų53.573%0.72729%0.285SS*.Hα-helixtrans-77.7-17.5179-166.739.7000114.1A47 K48 V49A47-N51 WeakPolarHBondContact O-CB 3.5Å; A47-N51 PolarHBondContact O-N 2.89Å; A47-N51 VanDerWaalsContact O-N 3.1Å; K48-N51 PolarHBondContact O-N 3.19Å; V49-N51 PolarHBondContact O-N 2.87Å
52V96.7Very high96.3Very high113 Ų11351.7 Ų51.769%0.68527%0.27SS*.Hα-helixtrans-102.7-46.3-176.3172.10000111.8K48 V49 L50K48-V52 VanDerWaalsContact O-CG2 3.29Å; K48-V52 WeakPolarHBondContact O-CG2 3.41Å; K48-V52 PolarHBondContact O-N 2.81Å; V49-V52 PolarHBondContact O-N 2.98Å; L50-V52 VanDerWaalsContact C-N 3.34Å
53D94.6Very high96.4Very high74 Ų7451.7 Ų51.740%0.39627%0.27SS..  trans-150.171.5-173-17315.8000110.9V49 D55 N56V49-D53 PolarHBondContact O-N 3.2Å; D53-D55 VanDerWaalsContact C-N 3.29Å; D53-N56 WeakPolarHBondContact OD2-CB 3.38Å
54P95.1Very high96.4Very high27 Ų2752.6 Ų52.618%0.17528%0.278CS..G310 helixtrans-70.3-27.3179.630.1-35.1000112.7L50 N56 V57 F84 I90L50-P54 WeakPolarHBondContact O-CB 3.37Å; L50-P54 WeakPolarHBondContact O-CD 3.34Å; P54-N56 PolarHBondContact O-N 3.1Å; P54-V57 WeakPolarHBondContact O-CB 3.23Å; P54-V57 PolarHBondContact O-N 2.88Å; P54-F84 HydrophobicContact CB-CE1 3.67Å; P54-F84 HydrophobicContact CB-CZ 3.88Å; P54-F84 HydrophobicContact CG-CE1 4.46Å; P54-F84 HydrophobicContact CG-CZ 4.18Å; P54-I90 HydrophobicContact CB-CD1 4.45Å
55D93.1Very high96.2Very high152 Ų15247.1 Ų47.181%0.81326%0.258SS*.G310 helixtrans-62.5-26.1-178.3-65.2-27000112.1D53D53-D55 VanDerWaalsContact C-N 3.29Å
56N93.3Very high96Very high50 Ų5050.7 Ų50.727%0.26728%0.275SS..G310 helixtrans-88.5-4.3177.7-162.740.5000113.6D53 P54 S123 N124D53-N56 WeakPolarHBondContact OD2-CB 3.38Å; P54-N56 PolarHBondContact O-N 3.1Å; N56-S123 CarbonylContact O-C 3.54Å; N56-S123 WeakPolarHBondContact O-CA 3.43Å; N56-S123 VanDerWaalsContact O-CB 3.29Å; N56-S123 WeakPolarHBondContact O-CB 3.32Å; N56-N124 PolarHBondContact ND2-O 3.02Å; N56-N124 PolarHBondContact O-N 2.87Å; N56-N124 WeakPolarHBondContact OD1-CB 3.39Å; N56-N124 PolarHBondContact OD1-O 3.47Å; N56-N124 VanDerWaalsContact OD1-O 3.07Å
57V96.1Very high95.6Very high9 Ų959 Ų596%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-91.8126.5179.1-178.90000109.6V49 L50 P54 I90 L121V49-V57 HydrophobicContact CG1-CG2 3.73Å; L50-V57 HydrophobicContact CD2-CB 4.39Å; L50-V57 HydrophobicContact CD2-CG1 4.26Å; L50-V57 HydrophobicContact CD2-CG2 4.21Å; P54-V57 WeakPolarHBondContact O-CB 3.23Å; P54-V57 PolarHBondContact O-N 2.88Å; V57-I90 HydrophobicContact CB-CD1 4.02Å; V57-I90 HydrophobicContact CG1-CD1 4.13Å; V57-I90 HydrophobicContact CG1-CG2 3.91Å; V57-L121 HydrophobicContact CG1-CB 4.18Å; V57-L121 HydrophobicContact CG1-CD1 4.38Å; V57-L121 HydrophobicContact CG1-CD2 4.1Å; V57-L121 HydrophobicContact CG1-CG 4.45Å; V57-L121 HydrophobicContact CG2-CD1 4.26Å
58T95.2Very high95.3Very high38 Ų3858.4 Ų58.423%0.23331%0.305CS..EExtended strand (participates in β ladder)trans-108.4-24.2-176.557.50000113.5I122 N124T58-I122 PolarHBondContact N-O 3.31Å; T58-I122 PolarHBondContact OG1-O 2.66Å; T58-I122 VanDerWaalsContact OG1-O 3.11Å; T58-N124 HydrophobicContact CG2-CB 4.02Å
59F97.8Very high94.9Very high0 Ų058.2 Ų58.20%031%0.307CS..EExtended strand (participates in β ladder)trans-154.5142.8-176.3-154.4-98.4000111.7L26 L29 V61 D91 V93 L121 I122 L135 L138L26-F59 HydrophobicContact CD1-CE1 4Å; L29-F59 HydrophobicContact CD2-CD1 4.37Å; L29-F59 HydrophobicContact CD2-CG 4.36Å; F59-V61 HydrophobicContact CD1-CG2 4.16Å; F59-V61 HydrophobicContact CE1-CG2 4.14Å; F59-D91 CarbonylContact C-O 3.58Å; F59-D91 WeakPolarHBondContact CA-O 3.48Å; F59-D91 HydrophobicContact CD2-CB 3.55Å; F59-D91 HydrophobicContact CE2-CB 3.64Å; F59-V93 HydrophobicContact CE1-CG1 4.18Å; F59-V93 HydrophobicContact CE1-CG2 3.64Å; F59-V93 HydrophobicContact CZ-CB 4.43Å; F59-V93 HydrophobicContact CZ-CG1 3.6Å; F59-V93 HydrophobicContact CZ-CG2 3.96Å; F59-L121 WeakPolarHBondContact O-CA 3.28Å; F59-I122 HydrophobicContact CB-CB 4.15Å; F59-I122 HydrophobicContact CB-CD1 4.14Å; F59-I122 HydrophobicContact CD1-CD1 4.13Å; F59-I122 PolarHBondContact N-O 3.32Å; F59-I122 PolarHBondContact O-N 2.99Å; F59-L135 HydrophobicContact CB-CD1 3.9Å; F59-L135 HydrophobicContact CD2-CD1 3.91Å; F59-L135 HydrophobicContact CG-CD1 4.18Å; F59-L138 HydrophobicContact CD2-CB 4.39Å; F59-L138 HydrophobicContact CE1-CD1 4.06Å; F59-L138 HydrophobicContact CE2-CB 3.55Å; F59-L138 HydrophobicContact CE2-CD1 4.26Å; F59-L138 HydrophobicContact CE2-CG 4.44Å; F59-L138 HydrophobicContact CZ-CB 3.73Å; F59-L138 HydrophobicContact CZ-CD1 3.84Å; F59-L138 HydrophobicContact CZ-CD2 4.33Å; F59-L138 HydrophobicContact CZ-CG 4.18Å
60C98.6Very high94.6Very high0 Ų059.4 Ų59.40%033%0.327CS..EExtended strand (participates in β ladder)trans-126.2136.6178.4178.70000111.3I90 D91 I92 V93 I120 L121C60-I90 HydrophobicContact CB-CG2 4.31Å; C60-D91 PolarHBondContact N-O 2.84Å; C60-I92 HydrophobicContact CB-CB 4.1Å; C60-I92 HydrophobicContact CB-CD1 4.25Å; C60-I92 HydrophobicContact CB-CG1 3.87Å; C60-I92 VanDerWaalsContact O-CA 3.29Å; C60-I92 WeakPolarHBondContact O-CA 3.12Å; C60-V93 PolarHBondContact O-N 3.01Å; C60-I120 CarbonylContact C-O 3.45Å; C60-I120 WeakPolarHBondContact CA-O 3.41Å; C60-L121 HydrophobicContact CB-CD2 3.68Å
61V98.6Very high94.5Very high1 Ų162.9 Ų62.91%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-118.3126.4173.1-175.90000108.3L26 F59 V93 V95 L101 C119 I120L26-V61 HydrophobicContact CD1-CG2 3.87Å; F59-V61 HydrophobicContact CD1-CG2 4.16Å; F59-V61 HydrophobicContact CE1-CG2 4.14Å; V61-V93 HydrophobicContact CB-CG2 4.49Å; V61-V93 HydrophobicContact CG1-CG2 4.41Å; V61-V93 HydrophobicContact CG2-CG2 4.1Å; V61-V95 HydrophobicContact CG1-CB 4.29Å; V61-V95 HydrophobicContact CG1-CG2 3.76Å; V61-L101 HydrophobicContact CG1-CD2 4.39Å; V61-C119 CarbonylContact O-C 3.52Å; V61-C119 VanDerWaalsContact O-CA 3.29Å; V61-C119 WeakPolarHBondContact O-CA 3.45Å; V61-I120 HydrophobicContact CB-CB 4.25Å; V61-I120 PolarHBondContact N-O 3.26Å; V61-I120 PolarHBondContact O-N 2.97Å
62L98.3Very high94.5Very high1 Ų162.5 Ų62.51%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-103.9126.9166.4-61.1-179.4000108.8F78 I81 I92 V93 R94 V95 H118 C119L62-F78 HydrophobicContact CB-CE1 4.44Å; L62-F78 HydrophobicContact CB-CE2 4.34Å; L62-F78 HydrophobicContact CB-CZ 4.3Å; L62-F78 HydrophobicContact CD1-CB 4.08Å; L62-F78 HydrophobicContact CD1-CD1 4.39Å; L62-F78 HydrophobicContact CD1-CG 4.1Å; L62-F78 HydrophobicContact CD2-CD1 3.85Å; L62-F78 HydrophobicContact CD2-CE1 4.03Å; L62-F78 HydrophobicContact CD2-CG 4.4Å; L62-I81 HydrophobicContact CD2-CB 4.49Å; L62-I81 HydrophobicContact CD2-CG2 4.03Å; L62-I92 HydrophobicContact CD1-CD1 3.86Å; L62-I92 HydrophobicContact CG-CD1 4.03Å; L62-I92 HydrophobicContact CG-CG1 4.46Å; L62-V93 PolarHBondContact N-O 3.43Å; L62-R94 HydrophobicContact CB-CG 4.31Å; L62-R94 CarbonylContact O-C 3.56Å; L62-R94 VanDerWaalsContact O-CA 3.31Å; L62-R94 WeakPolarHBondContact O-CA 3.37Å; L62-V95 PolarHBondContact O-N 3.33Å; L62-H118 WeakPolarHBondContact CA-O 3.43Å; L62-C119 HydrophobicContact CD2-CB 4.16Å
63A97.1Very high94.4Very high0 Ų059.6 Ų59.60%033%0.33CS..EExtended strand (participates in β ladder)trans-123.1123.7-177.900000111.2F78 V95 V98 L101 H118A63-F78 WeakPolarHBondContact O-CZ 3.26Å; A63-V95 VanDerWaalsContact CA-O 3.31Å; A63-V95 WeakPolarHBondContact CA-O 3.5Å; A63-V95 HydrophobicContact CB-CB 4.45Å; A63-V98 HydrophobicContact CB-CG2 4.04Å; A63-L101 HydrophobicContact CB-CD2 3.48Å; A63-L101 VanDerWaalsContact CB-CD2 3.48Å; A63-H118 PolarHBondContact N-O 3.46Å; A63-H118 VanDerWaalsContact O-CA 3.26Å; A63-H118 WeakPolarHBondContact O-CA 3.46Å; A63-H118 WeakPolarHBondContact O-CB 3.47Å; A63-H118 PolarHBondContact O-ND1 3.39Å
64A95.3Very high94.5Very high23 Ų2356.8 Ų56.819%0.1932%0.315CS..  trans-144136.2174.800000109.3D68 F78 V95 G96A64-D68 VanDerWaalsContact CA-OD2 3.28Å; A64-D68 WeakPolarHBondContact CA-OD2 3.41Å; A64-D68 HydrophobicContact CB-CB 3.64Å; A64-F78 HydrophobicContact CB-CE2 3.65Å; A64-F78 HydrophobicContact CB-CZ 4.19Å; A64-V95 PolarHBondContact N-O 3.04Å; A64-V95 VanDerWaalsContact N-O 3.15Å; A64-G96 CarbonylContact O-C 3.52Å; A64-G96 WeakPolarHBondContact O-CA 3.29Å
65D93Very high94.5Very high30 Ų3058 Ų5816%0.1632%0.319CS..  trans-87.3-178.6168.758.626.2000111.1E67 D68 V98 Q99D65-E67 PolarHBondContact O-N 3.14Å; D65-E67 PolarHBondContact OD1-N 2.88Å; D65-D68 PolarHBondContact N-OD2 3.07Å; D65-D68 PolarHBondContact O-N 3.4Å; D65-D68 PolarHBondContact OD1-N 3.42Å; D65-D68 VanDerWaalsContact OD1-OD2 3.04Å; D65-V98 HydrophobicContact CB-CG2 4.35Å; D65-Q99 PolarHBondContact OD2-NE2 3.17Å
66E89.9Confident94.7Very high177 Ų17755.2 Ų55.283%0.82730%0.303SS*.THydrogen-bonded Turntrans-63.9-25.6179.7-66.2-175.2174.200112.4
67E88.7Confident95Very high176 Ų17655.1 Ų55.182%0.82230%0.3SS*.THydrogen-bonded Turntrans-75.8-32.4-179.4-57.7-172.5171.300111.1D65 E69D65-E67 PolarHBondContact O-N 3.14Å; D65-E67 PolarHBondContact OD1-N 2.88Å; E67-E69 VanDerWaalsContact C-N 3.32Å; E67-E69 PolarHBondContact O-N 3.35Å
68D91.8Very high95Very high23 Ų2354.7 Ų54.712%0.12330%0.298CS..G310 helixtrans-70.3-18.7178.2-69.8-37.7000114.7A64 D65 G70 D71 L74 Q75 H118A64-D68 VanDerWaalsContact CA-OD2 3.28Å; A64-D68 WeakPolarHBondContact CA-OD2 3.41Å; A64-D68 HydrophobicContact CB-CB 3.64Å; D65-D68 PolarHBondContact N-OD2 3.07Å; D65-D68 PolarHBondContact O-N 3.4Å; D65-D68 PolarHBondContact OD1-N 3.42Å; D65-D68 VanDerWaalsContact OD1-OD2 3.04Å; D68-G70 PolarHBondContact O-N 2.84Å; D68-D71 PolarHBondContact O-N 2.96Å; D68-D71 VanDerWaalsContact O-N 3.09Å; D68-L74 HydrophobicContact CB-CD2 3.85Å; D68-Q75 PolarHBondContact O-NE2 3.37Å; D68-H118 VanDerWaalsContact CG-CE1 3.41Å; D68-H118 IonicContact OD1-CE1 3.94Å; D68-H118 PolarHBondContact OD1-CE1 3.41Å; D68-H118 VanDerWaalsContact OD1-CE1 3.26Å; D68-H118 IonicContact OD1-NE2 3.17Å; D68-H118 IonicContact OD2-CE1 3.63Å; D68-H118 PolarHBondContact OD2-CE1 2.78Å; D68-H118 IonicContact OD2-ND1 3.02Å; D68-H118 PolarHBondContact OD2-ND1 3.31Å
69E88.4Confident95.2Very high149 Ų14957.2 Ų57.270%0.69631%0.313SS*.G310 helixtrans-61.5-27.3178.5-67.5-167.617100112.4E67E67-E69 VanDerWaalsContact C-N 3.32Å; E67-E69 PolarHBondContact O-N 3.35Å
70G90.6Very high95.2Very high64 Ų6462.5 Ų62.566%0.6634%0.341SS*.G310 helixtrans-81.2-14.4177.300000114.8D68 I72D68-G70 PolarHBondContact O-N 2.84Å; G70-I72 PolarHBondContact O-N 3.27Å; G70-I72 VanDerWaalsContact O-N 3.13Å
71D95.5Very high95.2Very high77 Ų7762.8 Ų62.841%0.41234%0.342SS..  trans-81.793.8-179.9-170.9-26.3000110.9D68 A73 L74 Q75D68-D71 PolarHBondContact O-N 2.96Å; D68-D71 VanDerWaalsContact O-N 3.09Å; D71-A73 PolarHBondContact O-N 2.87Å; D71-A73 WeakPolarHBondContact OD1-CA 3.41Å; D71-A73 WeakPolarHBondContact OD1-CB 3.33Å; D71-A73 PolarHBondContact OD1-N 2.96Å; D71-L74 HydrophobicContact CB-CB 3.83Å; D71-L74 PolarHBondContact O-N 3.06Å; D71-L74 VanDerWaalsContact O-N 3.16Å; D71-L74 PolarHBondContact OD1-N 3.11Å; D71-Q75 WeakPolarHBondContact O-CG 3.32Å; D71-Q75 PolarHBondContact O-N 3.14Å
72I96.3Very high95.1Very high128 Ų12865.4 Ų65.466%0.65635%0.354SS*.Hα-helixtrans-56-37.7178.9-59.3173000111.7G70 Q75 I76G70-I72 PolarHBondContact O-N 3.27Å; G70-I72 VanDerWaalsContact O-N 3.13Å; I72-Q75 PolarHBondContact O-N 2.88Å; I72-I76 HydrophobicContact CG2-CD1 3.9Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.23Å; I72-I76 WeakPolarHBondContact O-CG1 3.18Å; I72-I76 PolarHBondContact O-N 3.11Å
73A95.8Very high95.1Very high53 Ų5367.5 Ų67.544%0.43837%0.372SS..Hα-helixtrans-67.9-43.9-178.700000110.3D71 I76 H77D71-A73 PolarHBondContact O-N 2.87Å; D71-A73 WeakPolarHBondContact OD1-CA 3.41Å; D71-A73 WeakPolarHBondContact OD1-CB 3.33Å; D71-A73 PolarHBondContact OD1-N 2.96Å; A73-I76 PolarHBondContact O-N 2.76Å; A73-H77 PolarHBondContact O-N 3.48Å; A73-H77 VanDerWaalsContact O-N 3.14Å; A73-H77 PolarHBondContact O-ND1 2.81Å
74L95.7Very high95.2Very high14 Ų1470.2 Ų70.27%0.07338%0.384CS..Hα-helixtrans-61.4-46.1175.1-175.858.7000111.7V43 D68 D71 I76 H77 F78 H118V43-L74 HydrophobicContact CG2-CD1 3.83Å; D68-L74 HydrophobicContact CB-CD2 3.85Å; D71-L74 HydrophobicContact CB-CB 3.83Å; D71-L74 PolarHBondContact O-N 3.06Å; D71-L74 VanDerWaalsContact O-N 3.16Å; D71-L74 PolarHBondContact OD1-N 3.11Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 2.99Å; L74-H77 PolarHBondContact O-N 2.62Å; L74-F78 HydrophobicContact CD1-CD1 4.08Å; L74-F78 HydrophobicContact CD1-CE1 3.57Å; L74-F78 HydrophobicContact CD1-CZ 3.98Å; L74-F78 HydrophobicContact CD2-CZ 4.32Å; L74-F78 HydrophobicContact CG-CD1 4.43Å; L74-F78 HydrophobicContact CG-CE1 4.04Å; L74-F78 HydrophobicContact CG-CE2 4.42Å; L74-F78 HydrophobicContact CG-CZ 4.05Å; L74-F78 PolarHBondContact O-N 2.9Å; L74-H118 HydrophobicContact CD1-CB 3.79Å; L74-H118 HydrophobicContact CD2-CB 4.41Å
75Q96.3Very high95.3Very high54 Ų5469.1 Ų69.125%0.25238%0.375SS..Hα-helixtrans-63.3-34.2179-62.9-49.8-4100113D68 D71 I72 F78 T79D68-Q75 PolarHBondContact O-NE2 3.37Å; D71-Q75 WeakPolarHBondContact O-CG 3.32Å; D71-Q75 PolarHBondContact O-N 3.14Å; I72-Q75 PolarHBondContact O-N 2.88Å; Q75-F78 PolarHBondContact O-N 3.26Å; Q75-T79 PolarHBondContact O-N 2.94Å; Q75-T79 PolarHBondContact O-OG1 3.13Å
76I97.6Very high95.4Very high93 Ų9370.2 Ų70.248%0.47738%0.384SS..Hα-helixtrans-62.8-47.7171.7-72.2166.1000110.1I72 A73 L74 F78 T79 L80I72-I76 HydrophobicContact CG2-CD1 3.9Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.23Å; I72-I76 WeakPolarHBondContact O-CG1 3.18Å; I72-I76 PolarHBondContact O-N 3.11Å; A73-I76 PolarHBondContact O-N 2.76Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 2.99Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 2.91Å; I76-T79 WeakPolarHBondContact O-CB 3.31Å; I76-T79 PolarHBondContact O-N 3.16Å; I76-L80 HydrophobicContact CG2-CD1 4.08Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.44Å
77H97.6Very high95.7Very high47 Ų4769.2 Ų69.222%0.21838%0.379CS..Hα-helixtrans-62.2-41.4178.7-71.793.6000112.1V43 Y44 A73 L74 T79 L80 I81V43-H77 HydrophobicContact CG1-CB 3.38Å; Y44-H77 AromaticContact CE1-NE2 3.54Å; Y44-H77 AromaticContact CZ-NE2 3.9Å; A73-H77 PolarHBondContact O-N 3.48Å; A73-H77 VanDerWaalsContact O-N 3.14Å; A73-H77 PolarHBondContact O-ND1 2.81Å; L74-H77 PolarHBondContact O-N 2.62Å; H77-T79 VanDerWaalsContact C-N 3.29Å; H77-T79 PolarHBondContact O-N 3.21Å; H77-L80 PolarHBondContact O-N 2.96Å; H77-I81 WeakPolarHBondContact O-CB 3.46Å; H77-I81 WeakPolarHBondContact O-CG1 3.22Å; H77-I81 PolarHBondContact O-N 3.15Å
78F97.9Very high96.1Very high1 Ų164 Ų640%0.00436%0.357CS..Hα-helixtrans-58.6-43174.5-78.67.5000112.2V43 L62 A63 A64 L74 Q75 I76 L80 Q82 H118V43-F78 HydrophobicContact CG2-CE1 4.3Å; L62-F78 HydrophobicContact CB-CE1 4.44Å; L62-F78 HydrophobicContact CB-CE2 4.34Å; L62-F78 HydrophobicContact CB-CZ 4.3Å; L62-F78 HydrophobicContact CD1-CB 4.08Å; L62-F78 HydrophobicContact CD1-CD1 4.39Å; L62-F78 HydrophobicContact CD1-CG 4.1Å; L62-F78 HydrophobicContact CD2-CD1 3.85Å; L62-F78 HydrophobicContact CD2-CE1 4.03Å; L62-F78 HydrophobicContact CD2-CG 4.4Å; A63-F78 WeakPolarHBondContact O-CZ 3.26Å; A64-F78 HydrophobicContact CB-CE2 3.65Å; A64-F78 HydrophobicContact CB-CZ 4.19Å; L74-F78 HydrophobicContact CD1-CD1 4.08Å; L74-F78 HydrophobicContact CD1-CE1 3.57Å; L74-F78 HydrophobicContact CD1-CZ 3.98Å; L74-F78 HydrophobicContact CD2-CZ 4.32Å; L74-F78 HydrophobicContact CG-CD1 4.43Å; L74-F78 HydrophobicContact CG-CE1 4.04Å; L74-F78 HydrophobicContact CG-CE2 4.42Å; L74-F78 HydrophobicContact CG-CZ 4.05Å; L74-F78 PolarHBondContact O-N 2.9Å; Q75-F78 PolarHBondContact O-N 3.26Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 2.91Å; F78-L80 VanDerWaalsContact C-N 3.34Å; F78-L80 PolarHBondContact O-N 3.48Å; F78-Q82 WeakPolarHBondContact O-CB 3.48Å; F78-Q82 PolarHBondContact O-N 3Å; F78-H118 HydrophobicContact CE1-CB 3.87Å; F78-H118 WeakPolarHBondContact CE1-O 3.31Å; F78-H118 HydrophobicContact CZ-CB 3.87Å; F78-H118 WeakPolarHBondContact CZ-O 3.41Å
79T97.9Very high96.2Very high90 Ų9069.3 Ų69.355%0.55239%0.386SS*.Hα-helixtrans-62.4-43.2177.5-57.70000111.2Q75 I76 H77 A83Q75-T79 PolarHBondContact O-N 2.94Å; Q75-T79 PolarHBondContact O-OG1 3.13Å; I76-T79 WeakPolarHBondContact O-CB 3.31Å; I76-T79 PolarHBondContact O-N 3.16Å; H77-T79 VanDerWaalsContact C-N 3.29Å; H77-T79 PolarHBondContact O-N 3.21Å; T79-A83 WeakPolarHBondContact O-CB 3.45Å; T79-A83 PolarHBondContact O-N 3.09Å
80L98.3Very high96.7Very high111 Ų11162.5 Ų62.558%0.58135%0.354SS*.Hα-helixtrans-65.9-47.1178.9-67173.1000112.1I76 H77 F78 A83 F84I76-L80 HydrophobicContact CG2-CD1 4.08Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.44Å; H77-L80 PolarHBondContact O-N 2.96Å; F78-L80 VanDerWaalsContact C-N 3.34Å; F78-L80 PolarHBondContact O-N 3.48Å; L80-A83 PolarHBondContact O-N 3.4Å; L80-F84 WeakPolarHBondContact O-CB 3.31Å; L80-F84 PolarHBondContact O-N 2.84Å
81I98.3Very high97Very high6 Ų660.2 Ų60.23%0.03133%0.327CS..Hα-helixtrans-64.2-44.2178.9-69.6169.5000110.6V43 L50 L62 H77 F84 C85 C119V43-I81 HydrophobicContact CG1-CD1 3.99Å; L50-I81 HydrophobicContact CD1-CG1 4.49Å; L50-I81 HydrophobicContact CD1-CG2 3.97Å; L62-I81 HydrophobicContact CD2-CB 4.49Å; L62-I81 HydrophobicContact CD2-CG2 4.03Å; H77-I81 WeakPolarHBondContact O-CB 3.46Å; H77-I81 WeakPolarHBondContact O-CG1 3.22Å; H77-I81 PolarHBondContact O-N 3.15Å; I81-F84 PolarHBondContact O-N 3.41Å; I81-C85 WeakPolarHBondContact O-CB 3.44Å; I81-C85 PolarHBondContact O-N 2.98Å; I81-C85 PolarHBondContact O-SG 3.05Å; I81-C119 HydrophobicContact CD1-CB 4.36Å
82Q97.8Very high97.2Very high56 Ų5656.9 Ų56.926%0.26231%0.309SS..Hα-helixtrans-57.8-50.5175.4168.7175.5-30.400111.6F78 F84 C85 C86 I92 V152F78-Q82 WeakPolarHBondContact O-CB 3.48Å; F78-Q82 PolarHBondContact O-N 3Å; Q82-F84 VanDerWaalsContact C-N 3.28Å; Q82-F84 PolarHBondContact O-N 3.31Å; Q82-C85 PolarHBondContact O-N 3.35Å; Q82-C86 WeakPolarHBondContact O-CB 3.5Å; Q82-C86 PolarHBondContact O-N 3.29Å; Q82-C86 PolarHBondContact O-SG 3.19Å; Q82-I92 HydrophobicContact CB-CD1 4.2Å; Q82-V152 HydrophobicContact CG-CG2 3.51Å
83A97.7Very high97.3Very high45 Ų4550.8 Ų50.837%0.37228%0.277SS..Hα-helixtrans-57.5-45.817900000111T79 L80 C86 E87T79-A83 WeakPolarHBondContact O-CB 3.45Å; T79-A83 PolarHBondContact O-N 3.09Å; L80-A83 PolarHBondContact O-N 3.4Å; A83-C86 PolarHBondContact O-N 3.2Å; A83-E87 VanDerWaalsContact O-CG 3.32Å; A83-E87 WeakPolarHBondContact O-CG 3.34Å; A83-E87 PolarHBondContact O-N 2.99Å
84F98.3Very high97.4Very high58 Ų5851.4 Ų51.425%0.25427%0.268SS..Hα-helixtrans-62-47.2178.3-170.7-78.8000112.5L50 P54 L80 I81 Q82 C86 E87 N88L50-F84 HydrophobicContact CB-CD1 3.85Å; L50-F84 HydrophobicContact CB-CE1 3.68Å; L50-F84 HydrophobicContact CB-CZ 4.21Å; L50-F84 HydrophobicContact CD1-CD1 4.14Å; L50-F84 HydrophobicContact CD2-CD1 3.87Å; L50-F84 HydrophobicContact CD2-CE1 3.85Å; L50-F84 HydrophobicContact CG-CD1 4.16Å; L50-F84 HydrophobicContact CG-CE1 4.26Å; L50-F84 WeakPolarHBondContact O-CZ 3.35Å; P54-F84 HydrophobicContact CB-CE1 3.67Å; P54-F84 HydrophobicContact CB-CZ 3.88Å; P54-F84 HydrophobicContact CG-CE1 4.46Å; P54-F84 HydrophobicContact CG-CZ 4.18Å; L80-F84 WeakPolarHBondContact O-CB 3.31Å; L80-F84 PolarHBondContact O-N 2.84Å; I81-F84 PolarHBondContact O-N 3.41Å; Q82-F84 VanDerWaalsContact C-N 3.28Å; Q82-F84 PolarHBondContact O-N 3.31Å; F84-C86 VanDerWaalsContact C-N 3.35Å; F84-C86 PolarHBondContact O-N 3.06Å; F84-E87 PolarHBondContact O-N 3.01Å; F84-N88 HydrophobicContact CE1-CB 4.44Å; F84-N88 VanDerWaalsContact CE1-ND2 3.28Å; F84-N88 WeakPolarHBondContact CE1-ND2 3.48Å; F84-N88 WeakPolarHBondContact CZ-ND2 3.39Å; F84-N88 PolarHBondContact O-N 2.82Å; F84-N88 VanDerWaalsContact O-N 3.14Å; F84-N88 PolarHBondContact O-ND2 2.87Å
85C98.1Very high97.5Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-62.4-43.1179.4-66.60000111.4I81 Q82 E87 N88 D89 I90 I92I81-C85 WeakPolarHBondContact O-CB 3.44Å; I81-C85 PolarHBondContact O-N 2.98Å; I81-C85 PolarHBondContact O-SG 3.05Å; Q82-C85 PolarHBondContact O-N 3.35Å; C85-E87 VanDerWaalsContact C-N 3.33Å; C85-E87 PolarHBondContact O-N 3.39Å; C85-N88 CarbonylContact O-C 3.58Å; C85-N88 PolarHBondContact O-N 3.21Å; C85-D89 PolarHBondContact O-N 2.88Å; C85-D89 VanDerWaalsContact O-N 3.14Å; C85-I90 HydrophobicContact CB-CB 3.94Å; C85-I90 HydrophobicContact CB-CG2 4.32Å; C85-I90 PolarHBondContact O-N 3.49Å; C85-I92 HydrophobicContact CB-CB 4.2Å; C85-I92 HydrophobicContact CB-CD1 4.07Å; C85-I92 HydrophobicContact CB-CG2 4.32Å
86C95.1Very high97.4Very high53 Ų5351.2 Ų51.236%0.35828%0.284SS..Hα-helixtrans-62.9-37176.5-69.30000113Q82 A83 F84 N88Q82-C86 WeakPolarHBondContact O-CB 3.5Å; Q82-C86 PolarHBondContact O-N 3.29Å; Q82-C86 PolarHBondContact O-SG 3.19Å; A83-C86 PolarHBondContact O-N 3.2Å; F84-C86 VanDerWaalsContact C-N 3.35Å; F84-C86 PolarHBondContact O-N 3.06Å; C86-N88 VanDerWaalsContact C-N 3.31Å
87E96.1Very high97.2Very high155 Ų15550.3 Ų50.372%0.72428%0.28SS*.Hα-helixtrans-72.3-24.5178.5-75.1174.8-17600113.2A83 F84 C85A83-E87 VanDerWaalsContact O-CG 3.32Å; A83-E87 WeakPolarHBondContact O-CG 3.34Å; A83-E87 PolarHBondContact O-N 2.99Å; F84-E87 PolarHBondContact O-N 3.01Å; C85-E87 VanDerWaalsContact C-N 3.33Å; C85-E87 PolarHBondContact O-N 3.39Å
88N96.4Very high97Very high66 Ų6649 Ų4935%0.35328%0.275SS..THydrogen-bonded Turntrans-10815.8-177.9-65.8-87.2000112.9F84 C85 C86 I90F84-N88 HydrophobicContact CE1-CB 4.44Å; F84-N88 VanDerWaalsContact CE1-ND2 3.28Å; F84-N88 WeakPolarHBondContact CE1-ND2 3.48Å; F84-N88 WeakPolarHBondContact CZ-ND2 3.39Å; F84-N88 PolarHBondContact O-N 2.82Å; F84-N88 VanDerWaalsContact O-N 3.14Å; F84-N88 PolarHBondContact O-ND2 2.87Å; C85-N88 CarbonylContact O-C 3.58Å; C85-N88 PolarHBondContact O-N 3.21Å; C86-N88 VanDerWaalsContact C-N 3.31Å; N88-I90 HydrophobicContact CB-CD1 4.16Å; N88-I90 HydrophobicContact CB-CG1 4.24Å; N88-I90 PolarHBondContact O-N 3.2Å; N88-I90 VanDerWaalsContact O-N 3.12Å
89D95.7Very high96.6Very high135 Ų13554.5 Ų54.572%0.72230%0.301SS*.THydrogen-bonded Turntrans54.529.4-179.8-64.7-57.6000114.4C85C85-D89 PolarHBondContact O-N 2.88Å; C85-D89 VanDerWaalsContact O-N 3.14Å
90I97.7Very high96.4Very high7 Ų753.2 Ų53.24%0.03629%0.286CS..  trans-83.7120.8173.9-60.2168.8000108.1L50 P54 V57 C60 C85 N88 I92L50-I90 HydrophobicContact CD2-CD1 3.55Å; P54-I90 HydrophobicContact CB-CD1 4.45Å; V57-I90 HydrophobicContact CB-CD1 4.02Å; V57-I90 HydrophobicContact CG1-CD1 4.13Å; V57-I90 HydrophobicContact CG1-CG2 3.91Å; C60-I90 HydrophobicContact CB-CG2 4.31Å; C85-I90 HydrophobicContact CB-CB 3.94Å; C85-I90 HydrophobicContact CB-CG2 4.32Å; C85-I90 PolarHBondContact O-N 3.49Å; N88-I90 HydrophobicContact CB-CD1 4.16Å; N88-I90 HydrophobicContact CB-CG1 4.24Å; N88-I90 PolarHBondContact O-N 3.2Å; N88-I90 VanDerWaalsContact O-N 3.12Å; I90-I92 PolarHBondContact O-N 3.02Å
91D98.1Very high96.2Very high16 Ų1647.9 Ų47.99%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-62.8131.2176.4-72.9-37.2000110.5F59 C60 S139 C142 R146F59-D91 CarbonylContact C-O 3.58Å; F59-D91 WeakPolarHBondContact CA-O 3.48Å; F59-D91 HydrophobicContact CD2-CB 3.55Å; F59-D91 HydrophobicContact CE2-CB 3.64Å; C60-D91 PolarHBondContact N-O 2.84Å; D91-S139 WeakPolarHBondContact OD2-CA 3.47Å; D91-S139 WeakPolarHBondContact OD2-CB 3.37Å; D91-S139 PolarHBondContact OD2-OG 2.81Å; D91-C142 HydrophobicContact CB-CB 4.24Å; D91-R146 IonicContact OD1-CZ 3.43Å; D91-R146 IonicContact OD1-NH1 3.33Å; D91-R146 PolarHBondContact OD1-NH1 3.4Å; D91-R146 IonicContact OD1-NH2 2.78Å; D91-R146 PolarHBondContact OD1-NH2 3.19Å
92I98.6Very high95.9Very high6 Ų648.4 Ų48.43%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-136.5138.2-172.9-173.9172.7000111.4C60 L62 Q82 C85 I90 V152C60-I92 HydrophobicContact CB-CB 4.1Å; C60-I92 HydrophobicContact CB-CD1 4.25Å; C60-I92 HydrophobicContact CB-CG1 3.87Å; C60-I92 VanDerWaalsContact O-CA 3.29Å; C60-I92 WeakPolarHBondContact O-CA 3.12Å; L62-I92 HydrophobicContact CD1-CD1 3.86Å; L62-I92 HydrophobicContact CG-CD1 4.03Å; L62-I92 HydrophobicContact CG-CG1 4.46Å; Q82-I92 HydrophobicContact CB-CD1 4.2Å; C85-I92 HydrophobicContact CB-CB 4.2Å; C85-I92 HydrophobicContact CB-CD1 4.07Å; C85-I92 HydrophobicContact CB-CG2 4.32Å; I90-I92 PolarHBondContact O-N 3.02Å; I92-V152 HydrophobicContact CG1-CG1 4.2Å; I92-V152 HydrophobicContact CG2-CG1 4.31Å; I92-V152 HydrophobicContact CG2-CG2 3.95Å
93V98.5Very high95.6Very high0 Ų048.5 Ų48.50%027%0.273CS..EExtended strand (participates in β ladder)trans-134.2158.6179.2-59.30000112.2L26 F59 C60 V61 L62 P153 I155L26-V93 HydrophobicContact CD2-CG2 4.35Å; F59-V93 HydrophobicContact CE1-CG1 4.18Å; F59-V93 HydrophobicContact CE1-CG2 3.64Å; F59-V93 HydrophobicContact CZ-CB 4.43Å; F59-V93 HydrophobicContact CZ-CG1 3.6Å; F59-V93 HydrophobicContact CZ-CG2 3.96Å; C60-V93 PolarHBondContact O-N 3.01Å; V61-V93 HydrophobicContact CB-CG2 4.49Å; V61-V93 HydrophobicContact CG1-CG2 4.41Å; V61-V93 HydrophobicContact CG2-CG2 4.1Å; L62-V93 PolarHBondContact N-O 3.43Å; V93-P153 VanDerWaalsContact CA-O 3.3Å; V93-P153 WeakPolarHBondContact CA-O 3.44Å; V93-P153 WeakPolarHBondContact CB-O 3.37Å; V93-P153 HydrophobicContact CG1-CG 4.29Å; V93-I155 HydrophobicContact CB-CD1 4.14Å; V93-I155 HydrophobicContact CB-CG1 4.4Å; V93-I155 HydrophobicContact CG1-CD1 3.79Å; V93-I155 HydrophobicContact CG1-CG1 4.35Å; V93-I155 HydrophobicContact CG2-CD1 4.27Å
94R97.9Very high95.3Very high66 Ų6646.8 Ų46.825%0.24926%0.258CS..EExtended strand (participates in β ladder)trans-104.8142.4170.9-79.3169.1-170.2-77.1-1.1111.7L62 V152 P153 S154 I155L62-R94 HydrophobicContact CB-CG 4.31Å; L62-R94 CarbonylContact O-C 3.56Å; L62-R94 VanDerWaalsContact O-CA 3.31Å; L62-R94 WeakPolarHBondContact O-CA 3.37Å; R94-V152 HydrophobicContact CG-CG1 3.73Å; R94-P153 PolarHBondContact N-O 3.5Å; R94-S154 CarbonylContact O-C 3.58Å; R94-S154 VanDerWaalsContact O-CA 3.28Å; R94-S154 WeakPolarHBondContact O-CA 3.49Å; R94-I155 PolarHBondContact O-N 2.91Å
95V97.1Very high94.9Very high5 Ų544.8 Ų44.83%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-128.9133.6174.61740000108.8L26 V61 L62 A63 A64 L157L26-V95 HydrophobicContact CD2-CG2 3.68Å; V61-V95 HydrophobicContact CG1-CB 4.29Å; V61-V95 HydrophobicContact CG1-CG2 3.76Å; L62-V95 PolarHBondContact O-N 3.33Å; A63-V95 VanDerWaalsContact CA-O 3.31Å; A63-V95 WeakPolarHBondContact CA-O 3.5Å; A63-V95 HydrophobicContact CB-CB 4.45Å; A64-V95 PolarHBondContact N-O 3.04Å; A64-V95 VanDerWaalsContact N-O 3.15Å; V95-L157 HydrophobicContact CG1-CD1 3.66Å; V95-L157 HydrophobicContact CG1-CG 3.9Å
96G94.6Very high94.1Very high60 Ų6046.5 Ų46.562%0.61927%0.268SS*.SBendtrans-93.4-0.8-176.800000115.5A64A64-G96 CarbonylContact O-C 3.52Å; A64-G96 WeakPolarHBondContact O-CA 3.29Å
97D93.1Very high92.6Very high73 Ų7345.6 Ų45.639%0.3926%0.264SS..  trans-12788-172.9-169.3-22.8000109.9Q99 R100 L101D97-Q99 VanDerWaalsContact C-N 3.32Å; D97-Q99 PolarHBondContact OD1-N 3.24Å; D97-R100 HydrophobicContact CB-CB 3.99Å; D97-R100 WeakPolarHBondContact OD1-CB 3.45Å; D97-R100 PolarHBondContact OD1-N 2.91Å; D97-R100 WeakPolarHBondContact OD2-CB 3.13Å; D97-L101 PolarHBondContact O-N 3.42Å; D97-L101 VanDerWaalsContact O-N 3.09Å
98V93.4Very high90.7Very high19 Ų1945 Ų4512%0.11527%0.266CS..Hα-helixtrans-67.6-36.2-178-177.30000110.5A63 D65 L101 A102 L117A63-V98 HydrophobicContact CB-CG2 4.04Å; D65-V98 HydrophobicContact CB-CG2 4.35Å; V98-L101 WeakPolarHBondContact O-CB 3.38Å; V98-L101 PolarHBondContact O-N 3.45Å; V98-A102 WeakPolarHBondContact O-CB 3.41Å; V98-A102 PolarHBondContact O-N 3.41Å; V98-L117 HydrophobicContact CG1-CB 4.42Å
99Q91Very high88.6Confident118 Ų11849 Ų4955%0.55129%0.288SS*.Hα-helixtrans-66.5-43.1180-62.178.84.100110.7D65 D97 L101 A102 A103D65-Q99 PolarHBondContact OD2-NE2 3.17Å; D97-Q99 VanDerWaalsContact C-N 3.32Å; D97-Q99 PolarHBondContact OD1-N 3.24Å; Q99-L101 VanDerWaalsContact C-N 3.35Å; Q99-A102 WeakPolarHBondContact O-CB 3.3Å; Q99-A102 PolarHBondContact O-N 2.83Å; Q99-A103 PolarHBondContact O-N 3.14Å
100R92.8Very high86.5Confident62 Ų6250.5 Ų50.523%0.23429%0.29CS..Hα-helixtrans-65.7-39.6174.1-178.557.4179.3-170.8-0.3111.8D97 A102 A103 I104 L157 P158 E159D97-R100 HydrophobicContact CB-CB 3.99Å; D97-R100 WeakPolarHBondContact OD1-CB 3.45Å; D97-R100 PolarHBondContact OD1-N 2.91Å; D97-R100 WeakPolarHBondContact OD2-CB 3.13Å; R100-A102 VanDerWaalsContact C-N 3.31Å; R100-A102 PolarHBondContact O-N 2.97Å; R100-A103 PolarHBondContact O-N 3.18Å; R100-I104 HydrophobicContact CG-CD1 4.32Å; R100-I104 WeakPolarHBondContact O-CG1 3.19Å; R100-I104 PolarHBondContact O-N 3.11Å; R100-I104 VanDerWaalsContact O-N 3.12Å; R100-L157 HydrophobicContact CB-CD1 4.16Å; R100-L157 HydrophobicContact CG-CB 3.82Å; R100-L157 HydrophobicContact CG-CD1 3.84Å; R100-L157 HydrophobicContact CG-CG 4.5Å; R100-P158 PolarHBondContact NE-O 3Å; R100-P158 PolarHBondContact NH2-O 2.95Å; R100-E159 VanDerWaalsContact CZ-C 3.42Å; R100-E159 PolarHBondContact NH1-OXT 3.37Å; R100-E159 PolarHBondContact NH2-O 3.01Å; R100-E159 PolarHBondContact NH2-OXT 3.17Å
101L94Very high83.9Confident0 Ų055.4 Ų55.40%033%0.332CS..Hα-helixtrans-58.9-45.8174.5-174.661.3000111L30 V61 A63 D97 V98 Q99 A103 I104 V105 I120 L157L30-L101 HydrophobicContact CD1-CD1 3.42Å; L30-L101 VanDerWaalsContact CD1-CD1 3.42Å; L30-L101 HydrophobicContact CD2-CD1 4.23Å; L30-L101 HydrophobicContact CG-CD1 4.48Å; V61-L101 HydrophobicContact CG1-CD2 4.39Å; A63-L101 HydrophobicContact CB-CD2 3.48Å; A63-L101 VanDerWaalsContact CB-CD2 3.48Å; D97-L101 PolarHBondContact O-N 3.42Å; D97-L101 VanDerWaalsContact O-N 3.09Å; V98-L101 WeakPolarHBondContact O-CB 3.38Å; V98-L101 PolarHBondContact O-N 3.45Å; Q99-L101 VanDerWaalsContact C-N 3.35Å; L101-A103 PolarHBondContact O-N 2.83Å; L101-I104 PolarHBondContact O-N 3.23Å; L101-I104 VanDerWaalsContact O-N 3.17Å; L101-V105 WeakPolarHBondContact O-CG2 3.36Å; L101-V105 PolarHBondContact O-N 3.4Å; L101-I120 HydrophobicContact CD1-CD1 3.91Å; L101-I120 HydrophobicContact CD2-CD1 3.72Å; L101-I120 HydrophobicContact CD2-CG1 4.42Å; L101-I120 HydrophobicContact CG-CD1 3.83Å; L101-L157 HydrophobicContact CB-CD1 4.15Å; L101-L157 HydrophobicContact CD1-CD1 4.37Å
102A91.8Very high81.3Confident17 Ų1758.6 Ų58.614%0.1437%0.369CS..Hα-helixtrans-58-43.8176.300000113.1V98 Q99 R100 I104 V105 G106 A107 L117V98-A102 WeakPolarHBondContact O-CB 3.41Å; V98-A102 PolarHBondContact O-N 3.41Å; Q99-A102 WeakPolarHBondContact O-CB 3.3Å; Q99-A102 PolarHBondContact O-N 2.83Å; R100-A102 VanDerWaalsContact C-N 3.31Å; R100-A102 PolarHBondContact O-N 2.97Å; A102-I104 VanDerWaalsContact C-N 3.31Å; A102-I104 PolarHBondContact O-N 2.86Å; A102-V105 PolarHBondContact O-N 2.93Å; A102-G106 PolarHBondContact O-N 2.82Å; A102-G106 VanDerWaalsContact O-N 3.13Å; A102-A107 HydrophobicContact CB-CB 4.42Å; A102-A107 PolarHBondContact O-N 3.14Å; A102-A107 VanDerWaalsContact O-N 3.1Å; A102-L117 HydrophobicContact CB-CD1 3.39Å
103A91.3Very high78.6Confident57 Ų5761.9 Ų61.947%0.47140%0.397SS..Hα-helixtrans-62.8-36.717700000112.4Q99 R100 L101Q99-A103 PolarHBondContact O-N 3.14Å; R100-A103 PolarHBondContact O-N 3.18Å; L101-A103 PolarHBondContact O-N 2.83Å
104I91.9Very high76.4Confident10 Ų1067.9 Ų67.95%0.05144%0.436CS..Hα-helixtrans-69.8-45.7177.5-65.8167.7000110.8H27 L30 L31 R100 L101 A102 G106 L157H27-I104 HydrophobicContact CB-CD1 4.4Å; H27-I104 WeakPolarHBondContact ND1-CD1 3.36Å; L30-I104 HydrophobicContact CB-CG2 3.78Å; L30-I104 HydrophobicContact CD1-CG2 4.16Å; L31-I104 HydrophobicContact CD2-CG2 4.02Å; L31-I104 VanDerWaalsContact CD2-O 3.31Å; L31-I104 WeakPolarHBondContact CD2-O 3.29Å; L31-I104 HydrophobicContact CG-CG2 4.07Å; R100-I104 HydrophobicContact CG-CD1 4.32Å; R100-I104 WeakPolarHBondContact O-CG1 3.19Å; R100-I104 PolarHBondContact O-N 3.11Å; R100-I104 VanDerWaalsContact O-N 3.12Å; L101-I104 PolarHBondContact O-N 3.23Å; L101-I104 VanDerWaalsContact O-N 3.17Å; A102-I104 VanDerWaalsContact C-N 3.31Å; A102-I104 PolarHBondContact O-N 2.86Å; I104-G106 PolarHBondContact O-N 3.12Å; I104-L157 HydrophobicContact CD1-CD1 3.94Å; I104-L157 HydrophobicContact CD1-CD2 3.99Å; I104-L157 HydrophobicContact CD1-CG 4.42Å
105V89Confident75Confident15 Ų1566.7 Ų66.79%0.09144%0.444CS..THydrogen-bonded Turntrans-84.411.4-177-550000113.5L30 Q34 L39 L101 A102 A107 L117 I120L30-V105 HydrophobicContact CB-CG1 4.43Å; L30-V105 HydrophobicContact CD2-CG1 4.23Å; Q34-V105 PolarHBondContact NE2-O 3.27Å; L39-V105 HydrophobicContact CD1-CG1 3.94Å; L101-V105 WeakPolarHBondContact O-CG2 3.36Å; L101-V105 PolarHBondContact O-N 3.4Å; A102-V105 PolarHBondContact O-N 2.93Å; V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 HydrophobicContact CG2-CB 4.14Å; V105-A107 PolarHBondContact O-N 3.26Å; V105-L117 HydrophobicContact CG2-CD1 3.92Å; V105-L117 HydrophobicContact CG2-CD2 3.83Å; V105-I120 HydrophobicContact CG1-CD1 4.01Å
106G81.6Confident74.4Confident37 Ų3769 Ų6938%0.38146%0.456SS..THydrogen-bonded Turntrans61.128.9174.300000114.6A102 I104 D108A102-G106 PolarHBondContact O-N 2.82Å; A102-G106 VanDerWaalsContact O-N 3.13Å; I104-G106 PolarHBondContact O-N 3.12Å; G106-D108 PolarHBondContact O-N 2.92Å
107A63.8Low74.4Confident33 Ų3366.7 Ų66.727%0.27343%0.429SS..THydrogen-bonded Turntrans-78.4-2.2-179.400000113.8A102 V105 L117A102-A107 HydrophobicContact CB-CB 4.42Å; A102-A107 PolarHBondContact O-N 3.14Å; A102-A107 VanDerWaalsContact O-N 3.1Å; V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 HydrophobicContact CG2-CB 4.14Å; V105-A107 PolarHBondContact O-N 3.26Å; A107-L117 HydrophobicContact CB-CD1 3.89Å
108D57Low74.6Confident144 Ų14465.1 Ų65.177%0.7742%0.42SS*.THydrogen-bonded Turntrans-87-15.8-175.4-122.84.9000113.7G106G106-D108 PolarHBondContact O-N 2.92Å
109D52.6Low74.8Confident150 Ų15064.2 Ų64.280%0.80241%0.414SS*.SBendtrans-96.4-15.7-170.9-89.6-26000114.9
110E50.4Low75.1Confident165 Ų16558.6 Ų58.677%0.77139%0.388SS*.SBendtrans-99.6107.2-178-68.5-66.6124.800111.4G112E110-G112 PolarHBondContact O-N 3.14Å; E110-G112 VanDerWaalsContact O-N 3.14Å
111A44.5Very low75.4Confident111 Ų11155.6 Ų55.692%0.91738%0.377SS*.THydrogen-bonded Turntrans-38.8110.2-179.500000115.6
112G43.6Very low75.5Confident83 Ų8355.6 Ų55.686%0.85638%0.377SS*.THydrogen-bonded Turntrans135.4-11.6140.200000119.1E110E110-G112 PolarHBondContact O-N 3.14Å; E110-G112 VanDerWaalsContact O-N 3.14Å
113A40.9Very low75.6Confident75 Ų7555.5 Ų55.562%0.6238%0.375SS*.  trans-157.2139.1169.100000109.9G115A113-G115 PolarHBondContact O-N 3.43Å; A113-G115 VanDerWaalsContact O-N 3.09Å
114P52.4Low75.5Confident126 Ų12654.4 Ų54.482%0.81836%0.361SS*.  trans-57.6119.3162.525.4-29.7000106.7
115G68Low74.9Confident41 Ų4155.8 Ų55.842%0.42337%0.371SS..  trans-56.2142.2171.300000108.9A113 L117A113-G115 PolarHBondContact O-N 3.43Å; A113-G115 VanDerWaalsContact O-N 3.09Å; G115-L117 WeakPolarHBondContact O-CG 3.3Å; G115-L117 PolarHBondContact O-N 3.31Å
116D85.8Confident74Confident54 Ų5460.1 Ų60.129%0.28939%0.393SS..  trans-59.8109.7167.11747.2000107.5G42 V43 H118G42-D116 WeakPolarHBondContact CA-O 3.39Å; G42-D116 PolarHBondContact N-O 3.26Å; V43-D116 PolarHBondContact N-OD2 2.98Å; D116-H118 WeakPolarHBondContact OD1-CB 3.28Å; D116-H118 IonicContact OD1-CD2 3.26Å; D116-H118 PolarHBondContact OD1-CD2 3.01Å; D116-H118 IonicContact OD1-CG 3.28Å; D116-H118 PolarHBondContact OD1-N 2.86Å
117L93.4Very high73Confident10 Ų1066.8 Ų66.85%0.05241%0.414CS..  trans-114.314.2179.5-67.5175000111.6A41 V98 A102 V105 A107 G115 C119 I120A41-L117 HydrophobicContact CB-CD2 3.87Å; V98-L117 HydrophobicContact CG1-CB 4.42Å; A102-L117 HydrophobicContact CB-CD1 3.39Å; V105-L117 HydrophobicContact CG2-CD1 3.92Å; V105-L117 HydrophobicContact CG2-CD2 3.83Å; A107-L117 HydrophobicContact CB-CD1 3.89Å; G115-L117 WeakPolarHBondContact O-CG 3.3Å; G115-L117 PolarHBondContact O-N 3.31Å; L117-C119 PolarHBondContact O-N 3.33Å; L117-I120 HydrophobicContact CD2-CD1 4.16Å; L117-I120 HydrophobicContact CD2-CG1 4.46Å
118H96.8Very high72.8Confident40 Ų4072.4 Ų72.419%0.18544%0.44CS..SBendtrans-70.7-16.1179.7-60.6-68.1000112.4V43 L62 A63 D68 L74 F78 D116V43-H118 HydrophobicContact CG2-CB 3.72Å; L62-H118 WeakPolarHBondContact CA-O 3.43Å; A63-H118 PolarHBondContact N-O 3.46Å; A63-H118 VanDerWaalsContact O-CA 3.26Å; A63-H118 WeakPolarHBondContact O-CA 3.46Å; A63-H118 WeakPolarHBondContact O-CB 3.47Å; A63-H118 PolarHBondContact O-ND1 3.39Å; D68-H118 VanDerWaalsContact CG-CE1 3.41Å; D68-H118 IonicContact OD1-CE1 3.94Å; D68-H118 PolarHBondContact OD1-CE1 3.41Å; D68-H118 VanDerWaalsContact OD1-CE1 3.26Å; D68-H118 IonicContact OD1-NE2 3.17Å; D68-H118 IonicContact OD2-CE1 3.63Å; D68-H118 PolarHBondContact OD2-CE1 2.78Å; D68-H118 IonicContact OD2-ND1 3.02Å; D68-H118 PolarHBondContact OD2-ND1 3.31Å; L74-H118 HydrophobicContact CD1-CB 3.79Å; L74-H118 HydrophobicContact CD2-CB 4.41Å; F78-H118 HydrophobicContact CE1-CB 3.87Å; F78-H118 WeakPolarHBondContact CE1-O 3.31Å; F78-H118 HydrophobicContact CZ-CB 3.87Å; F78-H118 WeakPolarHBondContact CZ-O 3.41Å; D116-H118 WeakPolarHBondContact OD1-CB 3.28Å; D116-H118 IonicContact OD1-CD2 3.26Å; D116-H118 PolarHBondContact OD1-CD2 3.01Å; D116-H118 IonicContact OD1-CG 3.28Å; D116-H118 PolarHBondContact OD1-N 2.86Å
119C97.9Very high73.1Confident0 Ų070.8 Ų70.80%044%0.436CS..EExtended strand (participates in β ladder)trans-137.7134.8167-169.20000111G42 V43 S46 V61 L62 I81 L117G42-C119 PolarHBondContact N-O 3.39Å; V43-C119 HydrophobicContact CB-CB 4.48Å; V43-C119 HydrophobicContact CG2-CB 4.01Å; S46-C119 WeakPolarHBondContact CB-SG 3.35Å; S46-C119 PolarHBondContact OG-SG 3.09Å; V61-C119 CarbonylContact O-C 3.52Å; V61-C119 VanDerWaalsContact O-CA 3.29Å; V61-C119 WeakPolarHBondContact O-CA 3.45Å; L62-C119 HydrophobicContact CD2-CB 4.16Å; I81-C119 HydrophobicContact CD1-CB 4.36Å; L117-C119 PolarHBondContact O-N 3.33Å
120I98.1Very high74.1Confident0 Ų065.4 Ų65.40%040%0.404CS..EExtended strand (participates in β ladder)trans-128.1128.1170.8-62.7-178.5000109L30 L39 T40 C60 V61 L101 V105 L117L30-I120 HydrophobicContact CD2-CD1 4.24Å; L30-I120 HydrophobicContact CD2-CG2 4.17Å; L39-I120 HydrophobicContact CD1-CG2 3.88Å; L39-I120 HydrophobicContact CD2-CG2 3.67Å; L39-I120 HydrophobicContact CG-CG2 3.53Å; T40-I120 CarbonylContact O-C 3.59Å; T40-I120 VanDerWaalsContact O-CA 3.27Å; T40-I120 WeakPolarHBondContact O-CA 3.34Å; C60-I120 CarbonylContact C-O 3.45Å; C60-I120 WeakPolarHBondContact CA-O 3.41Å; V61-I120 HydrophobicContact CB-CB 4.25Å; V61-I120 PolarHBondContact N-O 3.26Å; V61-I120 PolarHBondContact O-N 2.97Å; L101-I120 HydrophobicContact CD1-CD1 3.91Å; L101-I120 HydrophobicContact CD2-CD1 3.72Å; L101-I120 HydrophobicContact CD2-CG1 4.42Å; L101-I120 HydrophobicContact CG-CD1 3.83Å; V105-I120 HydrophobicContact CG1-CD1 4.01Å; L117-I120 HydrophobicContact CD2-CD1 4.16Å; L117-I120 HydrophobicContact CD2-CG1 4.46Å
121L97.9Very high75.5Confident0 Ų066.5 Ų66.50%041%0.406CS..EExtended strand (participates in β ladder)trans-104.3142167.1-55.7179.3000110.4L39 T40 S46 V49 L50 V57 F59 C60L39-L121 WeakPolarHBondContact CA-O 3.2Å; T40-L121 PolarHBondContact N-O 3.28Å; T40-L121 PolarHBondContact O-N 3.04Å; S46-L121 WeakPolarHBondContact O-CD1 3.35Å; V49-L121 HydrophobicContact CB-CD1 3.99Å; V49-L121 HydrophobicContact CG1-CD1 4.05Å; L50-L121 HydrophobicContact CD1-CD1 4.33Å; L50-L121 HydrophobicContact CD1-CD2 4.41Å; L50-L121 HydrophobicContact CD2-CD1 4.19Å; L50-L121 HydrophobicContact CD2-CD2 4.49Å; L50-L121 HydrophobicContact CG-CD1 3.8Å; V57-L121 HydrophobicContact CG1-CB 4.18Å; V57-L121 HydrophobicContact CG1-CD1 4.38Å; V57-L121 HydrophobicContact CG1-CD2 4.1Å; V57-L121 HydrophobicContact CG1-CG 4.45Å; V57-L121 HydrophobicContact CG2-CD1 4.26Å; F59-L121 WeakPolarHBondContact O-CA 3.28Å; C60-L121 HydrophobicContact CB-CD2 3.68Å
122I96.7Very high77.5Confident0 Ų062.2 Ų62.20%037%0.368CS..EExtended strand (participates in β ladder)trans-111.9120169.1-65.1150.7000106.7L29 L30 A33 T58 F59 W130L29-I122 HydrophobicContact CD1-CG2 4.48Å; L29-I122 HydrophobicContact CD2-CD1 3.64Å; L29-I122 HydrophobicContact CG-CD1 3.74Å; L30-I122 HydrophobicContact CD2-CD1 4.46Å; A33-I122 HydrophobicContact CB-CG1 4.01Å; A33-I122 HydrophobicContact CB-CG2 4.02Å; T58-I122 PolarHBondContact N-O 3.31Å; T58-I122 PolarHBondContact OG1-O 2.66Å; T58-I122 VanDerWaalsContact OG1-O 3.11Å; F59-I122 HydrophobicContact CB-CB 4.15Å; F59-I122 HydrophobicContact CB-CD1 4.14Å; F59-I122 HydrophobicContact CD1-CD1 4.13Å; F59-I122 PolarHBondContact N-O 3.32Å; F59-I122 PolarHBondContact O-N 2.99Å; I122-W130 HydrophobicContact CG2-CH2 3.46Å; I122-W130 VanDerWaalsContact CG2-CH2 3.46Å; I122-W130 HydrophobicContact CG2-CZ3 3.58Å
123S94.3Very high79.9Confident14 Ų1462.9 Ų62.910%0.09836%0.357CS..EExtended strand (participates in β ladder)trans-103.3155.3177.9-630000110.9C38 N56 P125 W130C38-S123 VanDerWaalsContact CB-O 3.24Å; C38-S123 WeakPolarHBondContact CB-O 3.35Å; C38-S123 PolarHBondContact O-N 3.02Å; C38-S123 PolarHBondContact SG-O 3.26Å; N56-S123 CarbonylContact O-C 3.54Å; N56-S123 WeakPolarHBondContact O-CA 3.43Å; N56-S123 VanDerWaalsContact O-CB 3.29Å; N56-S123 WeakPolarHBondContact O-CB 3.32Å; S123-P125 WeakPolarHBondContact O-CD 3.44Å; S123-W130 VanDerWaalsContact O-CZ3 3.32Å; S123-W130 WeakPolarHBondContact O-CZ3 3.15Å
124N89.9Confident82.5Confident35 Ų3559.4 Ų59.419%0.18733%0.328CS..  trans-70.4120.8173.1-169.84.7000109.4N56 T58 N126N56-N124 PolarHBondContact ND2-O 3.02Å; N56-N124 PolarHBondContact O-N 2.87Å; N56-N124 WeakPolarHBondContact OD1-CB 3.39Å; N56-N124 PolarHBondContact OD1-O 3.47Å; N56-N124 VanDerWaalsContact OD1-O 3.07Å; T58-N124 HydrophobicContact CG2-CB 4.02Å; N124-N126 VanDerWaalsContact C-N 3.27Å; N124-N126 VanDerWaalsContact CG-O 3.27Å; N124-N126 PolarHBondContact ND2-O 3.2Å; N124-N126 VanDerWaalsContact ND2-O 3.14Å; N124-N126 PolarHBondContact O-N 3.07Å; N124-N126 PolarHBondContact OD1-N 3.29Å; N124-N126 PolarHBondContact OD1-O 2.87Å
125P77.8Confident84.6Confident39 Ų3954.5 Ų54.525%0.25330%0.295SS..SBendtrans-73.5-18.3-179.627.9-32.1000112.6C38 S123 W130C38-P125 HydrophobicContact CB-CB 4.04Å; C38-P125 HydrophobicContact CB-CG 4.47Å; S123-P125 WeakPolarHBondContact O-CD 3.44Å; P125-W130 VanDerWaalsContact CD-CD2 3.48Å; P125-W130 HydrophobicContact CG-CB 3.73Å; P125-W130 HydrophobicContact CG-CD2 3.74Å; P125-W130 HydrophobicContact CG-CE3 3.82Å; P125-W130 HydrophobicContact CG-CG 3.78Å; P125-W130 HydrophobicContact CG-CZ3 4.49Å
126N70.3Confident85.8Confident105 Ų10559.3 Ų59.356%0.56131%0.307SS*.SBendtrans-155.7133.1176.1-69.7-63.9000111.1N124 D128N124-N126 VanDerWaalsContact C-N 3.27Å; N124-N126 VanDerWaalsContact CG-O 3.27Å; N124-N126 PolarHBondContact ND2-O 3.2Å; N124-N126 VanDerWaalsContact ND2-O 3.14Å; N124-N126 PolarHBondContact O-N 3.07Å; N124-N126 PolarHBondContact OD1-N 3.29Å; N124-N126 PolarHBondContact OD1-O 2.87Å; N126-D128 PolarHBondContact O-N 3.21Å
127E61.6Low86.3Confident177 Ų17761.7 Ų61.783%0.82731%0.314SS*.THydrogen-bonded Turntrans-50.9-25.3-173.6-72.1-173.5102.800115.6
128D59.8Low86.5Confident152 Ų15261.2 Ų61.281%0.81331%0.312SS*.THydrogen-bonded Turntrans-125-6.4-170.9-74.3-52.1000117.2N126N126-D128 PolarHBondContact O-N 3.21Å
129T63Low86.5Confident110 Ų11061 Ų6168%0.67532%0.315SS*.THydrogen-bonded Turntrans-124.6-23.9-161.5-46.20000116.2K131T129-K131 PolarHBondContact O-N 3.13Å; T129-K131 VanDerWaalsContact O-N 3.11Å
130W72.6Confident86.5Confident36 Ų3664.1 Ų64.114%0.13633%0.334CS..  trans-80.9105.1-177.5-169.237.5000111.2L29 A33 Q36 C38 I122 S123 P125 D132L29-W130 HydrophobicContact CD1-CH2 3.93Å; L29-W130 HydrophobicContact CD1-CZ2 3.99Å; A33-W130 HydrophobicContact CB-CH2 4.13Å; Q36-W130 VanDerWaalsContact NE2-CE2 3.28Å; C38-W130 VanDerWaalsContact SG-CH2 3.56Å; I122-W130 HydrophobicContact CG2-CH2 3.46Å; I122-W130 VanDerWaalsContact CG2-CH2 3.46Å; I122-W130 HydrophobicContact CG2-CZ3 3.58Å; S123-W130 VanDerWaalsContact O-CZ3 3.32Å; S123-W130 WeakPolarHBondContact O-CZ3 3.15Å; P125-W130 VanDerWaalsContact CD-CD2 3.48Å; P125-W130 HydrophobicContact CG-CB 3.73Å; P125-W130 HydrophobicContact CG-CD2 3.74Å; P125-W130 HydrophobicContact CG-CE3 3.82Å; P125-W130 HydrophobicContact CG-CG 3.78Å; P125-W130 HydrophobicContact CG-CZ3 4.49Å; W130-D132 HydrophobicContact CZ2-CB 4.1Å
131K79.5Confident86.4Confident188 Ų18864.4 Ų64.482%0.81734%0.335SS*.  trans-116.285.5172.8-66-173.2178.2-173.60108.2T129 P133T129-K131 PolarHBondContact O-N 3.13Å; T129-K131 VanDerWaalsContact O-N 3.11Å; K131-P133 WeakPolarHBondContact O-CD 3.21Å
132D88.3Confident86.4Confident21 Ų2164.6 Ų64.611%0.11234%0.337CS..  trans-81.9116.7173.1-156.2-54000109.5L29 S32 W130 A134 L135 E136L29-D132 HydrophobicContact CD1-CB 4.12Å; S32-D132 WeakPolarHBondContact CB-OD2 3.39Å; S32-D132 PolarHBondContact OG-OD2 3.24Å; W130-D132 HydrophobicContact CZ2-CB 4.1Å; D132-A134 PolarHBondContact O-N 3Å; D132-A134 VanDerWaalsContact O-N 3.17Å; D132-A134 WeakPolarHBondContact OD1-CB 3.47Å; D132-A134 PolarHBondContact OD1-N 2.88Å; D132-L135 HydrophobicContact CB-CB 4.02Å; D132-L135 WeakPolarHBondContact O-CB 3.41Å; D132-L135 PolarHBondContact O-N 3.09Å; D132-E136 PolarHBondContact O-N 2.88Å
133P93.4Very high86.4Confident97 Ų9770.7 Ų70.763%0.6337%0.365SS*.Hα-helixtrans-59.4-26.3177.3-22.233.7000112.8K131 K137K131-P133 WeakPolarHBondContact O-CD 3.21Å; P133-K137 WeakPolarHBondContact O-CB 3.33Å; P133-K137 PolarHBondContact O-N 3.42Å; P133-K137 VanDerWaalsContact O-N 3.13Å
134A95.9Very high86.4Confident2 Ų273.9 Ų73.92%0.01738%0.378CS..Hα-helixtrans-69.5-38.3176.100000111.6A25 E28 L29 D132 K137 L138A25-A134 HydrophobicContact CB-CB 4.11Å; A25-A134 WeakPolarHBondContact O-CB 3.44Å; E28-A134 HydrophobicContact CB-CB 4.09Å; L29-A134 HydrophobicContact CB-CB 4.03Å; D132-A134 PolarHBondContact O-N 3Å; D132-A134 VanDerWaalsContact O-N 3.17Å; D132-A134 WeakPolarHBondContact OD1-CB 3.47Å; D132-A134 PolarHBondContact OD1-N 2.88Å; A134-K137 PolarHBondContact O-N 3.4Å; A134-L138 VanDerWaalsContact O-CG 3.3Å; A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 3.46Å
135L95Very high86.7Confident23 Ų2372.5 Ų72.512%0.1237%0.371CS..Hα-helixtrans-62.6-49.1174.6-179.562.2000110.9L29 F59 D132 K137 L138 S139L29-L135 HydrophobicContact CD1-CB 3.98Å; L29-L135 HydrophobicContact CD2-CB 4.24Å; L29-L135 HydrophobicContact CD2-CD1 3.9Å; F59-L135 HydrophobicContact CB-CD1 3.9Å; F59-L135 HydrophobicContact CD2-CD1 3.91Å; F59-L135 HydrophobicContact CG-CD1 4.18Å; D132-L135 HydrophobicContact CB-CB 4.02Å; D132-L135 WeakPolarHBondContact O-CB 3.41Å; D132-L135 PolarHBondContact O-N 3.09Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 2.89Å; L135-L138 PolarHBondContact O-N 2.99Å; L135-S139 PolarHBondContact O-N 2.94Å; L135-S139 PolarHBondContact O-OG 3.04Å
136E94.8Very high87.5Confident142 Ų14274.1 Ų74.166%0.66437%0.372SS*.Hα-helixtrans-56.9-42.8178-176176.6-167.800111.7D132 L138 S139 V140D132-E136 PolarHBondContact O-N 2.88Å; E136-L138 PolarHBondContact O-N 3.38Å; E136-S139 PolarHBondContact O-N 3.31Å; E136-V140 WeakPolarHBondContact O-CG2 3.45Å; E136-V140 PolarHBondContact O-N 3.49Å
137K96.6Very high88.6Confident104 Ų10473.2 Ų73.245%0.45237%0.374SS..Hα-helixtrans-64.9-37.7177.3-175172.2177-164.40112.9G21 A25 P133 A134 L135 F141G21-K137 VanDerWaalsContact CA-NZ 3.32Å; G21-K137 WeakPolarHBondContact O-CE 3.49Å; G21-K137 PolarHBondContact O-NZ 2.88Å; A25-K137 HydrophobicContact CB-CB 4.38Å; A25-K137 HydrophobicContact CB-CD 4.05Å; A25-K137 HydrophobicContact CB-CG 4.35Å; P133-K137 WeakPolarHBondContact O-CB 3.33Å; P133-K137 PolarHBondContact O-N 3.42Å; P133-K137 VanDerWaalsContact O-N 3.13Å; A134-K137 PolarHBondContact O-N 3.4Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 2.89Å; K137-F141 WeakPolarHBondContact O-CB 3.42Å; K137-F141 PolarHBondContact O-N 3.2Å
138L97.6Very high90.1Very high0 Ų072 Ų720%037%0.366CS..Hα-helixtrans-71.5-35.6176-70.7170.4000112A22 A25 L26 L29 F59 A134 L135 E136 F141 C142 I155A22-L138 HydrophobicContact CB-CD2 4.28Å; A25-L138 HydrophobicContact CB-CD1 4.46Å; A25-L138 HydrophobicContact CB-CD2 4.11Å; A25-L138 HydrophobicContact CB-CG 3.94Å; L26-L138 HydrophobicContact CB-CD1 4.22Å; L26-L138 HydrophobicContact CB-CD2 4.22Å; L26-L138 HydrophobicContact CD1-CD1 4.13Å; L29-L138 HydrophobicContact CB-CD1 4.26Å; L29-L138 HydrophobicContact CD2-CD1 3.52Å; F59-L138 HydrophobicContact CD2-CB 4.39Å; F59-L138 HydrophobicContact CE1-CD1 4.06Å; F59-L138 HydrophobicContact CE2-CB 3.55Å; F59-L138 HydrophobicContact CE2-CD1 4.26Å; F59-L138 HydrophobicContact CE2-CG 4.44Å; F59-L138 HydrophobicContact CZ-CB 3.73Å; F59-L138 HydrophobicContact CZ-CD1 3.84Å; F59-L138 HydrophobicContact CZ-CD2 4.33Å; F59-L138 HydrophobicContact CZ-CG 4.18Å; A134-L138 VanDerWaalsContact O-CG 3.3Å; A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 3.46Å; L135-L138 PolarHBondContact O-N 2.99Å; E136-L138 PolarHBondContact O-N 3.38Å; L138-F141 WeakPolarHBondContact O-CB 3.33Å; L138-F141 PolarHBondContact O-N 3.37Å; L138-C142 PolarHBondContact O-N 3.28Å; L138-C142 PolarHBondContact O-SG 3.44Å; L138-I155 HydrophobicContact CD2-CD1 3.65Å
139S96.5Very high91.7Very high37 Ų3770.8 Ų70.826%0.25936%0.36SS..Hα-helixtrans-62.2-45.5173.2-67.10000111.7D91 L135 E136 F141 C142 E143D91-S139 WeakPolarHBondContact OD2-CA 3.47Å; D91-S139 WeakPolarHBondContact OD2-CB 3.37Å; D91-S139 PolarHBondContact OD2-OG 2.81Å; L135-S139 PolarHBondContact O-N 2.94Å; L135-S139 PolarHBondContact O-OG 3.04Å; E136-S139 PolarHBondContact O-N 3.31Å; S139-F141 VanDerWaalsContact C-N 3.31Å; S139-F141 PolarHBondContact O-N 2.71Å; S139-C142 PolarHBondContact O-N 3.42Å; S139-E143 WeakPolarHBondContact O-CB 3.48Å; S139-E143 PolarHBondContact O-N 3.03Å
140V96.5Very high93.2Very high64 Ų6469 Ų6939%0.38835%0.346SS..Hα-helixtrans-59.6-43.1172.3173.60000110.9E136 C142 E143 E144E136-V140 WeakPolarHBondContact O-CG2 3.45Å; E136-V140 PolarHBondContact O-N 3.49Å; V140-C142 VanDerWaalsContact C-N 3.34Å; V140-C142 PolarHBondContact O-N 2.89Å; V140-E143 PolarHBondContact O-N 3.33Å; V140-E144 HydrophobicContact CG1-CG 4.31Å; V140-E144 WeakPolarHBondContact O-CB 3.32Å; V140-E144 WeakPolarHBondContact O-CG 3.39Å; V140-E144 PolarHBondContact O-N 3.42Å
141F97.4Very high94.1Very high7 Ų774.5 Ų74.53%0.03137%0.367CS..Hα-helixtrans-59.1-43.9175.9174.1-96000112R18 M19 A22 K137 L138 S139 S145 P153 I155R18-F141 HydrophobicContact CG-CD2 3.98Å; R18-F141 HydrophobicContact CG-CE2 4.25Å; R18-F141 PolarHBondContact NH2-O 2.97Å; M19-F141 HydrophobicContact CE-CZ 4.3Å; M19-F141 HydrophobicContact SD-CZ 4.27Å; A22-F141 HydrophobicContact CB-CB 4.47Å; A22-F141 HydrophobicContact CB-CD1 4.24Å; A22-F141 HydrophobicContact CB-CD2 3.67Å; A22-F141 HydrophobicContact CB-CE1 4.4Å; A22-F141 HydrophobicContact CB-CE2 3.86Å; A22-F141 HydrophobicContact CB-CG 3.87Å; A22-F141 HydrophobicContact CB-CZ 4.22Å; K137-F141 WeakPolarHBondContact O-CB 3.42Å; K137-F141 PolarHBondContact O-N 3.2Å; L138-F141 WeakPolarHBondContact O-CB 3.33Å; L138-F141 PolarHBondContact O-N 3.37Å; S139-F141 VanDerWaalsContact C-N 3.31Å; S139-F141 PolarHBondContact O-N 2.71Å; F141-S145 WeakPolarHBondContact O-CB 3.5Å; F141-S145 PolarHBondContact O-N 3.28Å; F141-S145 PolarHBondContact O-OG 2.98Å; F141-P153 HydrophobicContact CD1-CG 4.23Å; F141-P153 HydrophobicContact CE1-CB 3.69Å; F141-P153 HydrophobicContact CE1-CG 3.72Å; F141-P153 HydrophobicContact CZ-CB 4.09Å; F141-I155 HydrophobicContact CD1-CD1 3.98Å; F141-I155 HydrophobicContact CD1-CG1 4.31Å; F141-I155 HydrophobicContact CE1-CD1 3.72Å; F141-I155 HydrophobicContact CE1-CG1 3.55Å; F141-I155 HydrophobicContact CZ-CD1 4.43Å; F141-I155 HydrophobicContact CZ-CG1 3.91Å
142C97.3Very high94.9Very high4 Ų466.1 Ų66.13%0.02733%0.332CS..Hα-helixtrans-67.9-42.9178.3-64.20000112D91 L138 S139 V140 S145 R146D91-C142 HydrophobicContact CB-CB 4.24Å; L138-C142 PolarHBondContact O-N 3.28Å; L138-C142 PolarHBondContact O-SG 3.44Å; S139-C142 PolarHBondContact O-N 3.42Å; V140-C142 VanDerWaalsContact C-N 3.34Å; V140-C142 PolarHBondContact O-N 2.89Å; C142-S145 PolarHBondContact O-N 3.49Å; C142-R146 WeakPolarHBondContact O-CG 3.48Å; C142-R146 PolarHBondContact O-N 3.23Å
143E96.1Very high95.3Very high128 Ų12865.3 Ų65.360%0.59833%0.327SS*.Hα-helixtrans-58.2-48.9174.5-174.9179.1-15400112.2S139 V140 S145 R146 S147S139-E143 WeakPolarHBondContact O-CB 3.48Å; S139-E143 PolarHBondContact O-N 3.03Å; V140-E143 PolarHBondContact O-N 3.33Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 3.01Å; E143-R146 PolarHBondContact O-N 2.91Å; E143-S147 PolarHBondContact O-N 2.91Å; E143-S147 VanDerWaalsContact O-N 3.11Å
144E95.2Very high95.5Very high81 Ų8164.1 Ų64.138%0.37932%0.322SS..Hα-helixtrans-60.1-42.7176.2-75.3176.8166.300111.5R18 V140 S147 F148R18-E144 IonicContact CZ-OE2 3.36Å; R18-E144 IonicContact NE-OE2 2.71Å; R18-E144 PolarHBondContact NE-OE2 3.11Å; R18-E144 IonicContact NH2-OE2 3.52Å; V140-E144 HydrophobicContact CG1-CG 4.31Å; V140-E144 WeakPolarHBondContact O-CB 3.32Å; V140-E144 WeakPolarHBondContact O-CG 3.39Å; V140-E144 PolarHBondContact O-N 3.42Å; E144-S147 WeakPolarHBondContact O-CB 3.26Å; E144-S147 PolarHBondContact O-N 3.25Å; E144-S147 VanDerWaalsContact O-N 3.16Å; E144-S147 PolarHBondContact O-OG 3.17Å; E144-F148 WeakPolarHBondContact O-CD2 3.47Å
145S95.5Very high95.5Very high5 Ų564.2 Ų64.24%0.03532%0.321CS..Hα-helixtrans-63.8-41.6177.7-65.80000112.3R18 F141 C142 E143 S147 F148 N149 D150 P153R18-S145 PolarHBondContact NH2-OG 3.33Å; F141-S145 WeakPolarHBondContact O-CB 3.5Å; F141-S145 PolarHBondContact O-N 3.28Å; F141-S145 PolarHBondContact O-OG 2.98Å; C142-S145 PolarHBondContact O-N 3.49Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 3.01Å; S145-S147 PolarHBondContact O-N 3.16Å; S145-F148 CarbonylContact O-C 3.57Å; S145-F148 WeakPolarHBondContact O-CA 3.46Å; S145-F148 PolarHBondContact O-N 2.59Å; S145-N149 PolarHBondContact O-N 2.93Å; S145-D150 CarbonylContact C-O 3.57Å; S145-D150 WeakPolarHBondContact CB-O 3.44Å; S145-D150 PolarHBondContact O-N 2.98Å; S145-P153 WeakPolarHBondContact OG-CB 3.34Å
146R94.6Very high95.6Very high74 Ų7468.1 Ų68.128%0.27935%0.346SS..Hα-helixtrans-57.9-34.6173.4-74-178.5-73.2-141.5-8.8112D91 C142 E143 F148 N149 D150 W151D91-R146 IonicContact OD1-CZ 3.43Å; D91-R146 IonicContact OD1-NH1 3.33Å; D91-R146 PolarHBondContact OD1-NH1 3.4Å; D91-R146 IonicContact OD1-NH2 2.78Å; D91-R146 PolarHBondContact OD1-NH2 3.19Å; C142-R146 WeakPolarHBondContact O-CG 3.48Å; C142-R146 PolarHBondContact O-N 3.23Å; E143-R146 PolarHBondContact O-N 2.91Å; R146-F148 PolarHBondContact O-N 3.46Å; R146-N149 PolarHBondContact O-N 3.03Å; R146-D150 PolarHBondContact N-O 3.25Å; R146-W151 HydrophobicContact CG-CE3 3.9Å; R146-W151 HydrophobicContact CG-CZ3 4.19Å
147S93.6Very high95.5Very high85 Ų8562.1 Ų62.159%0.59432%0.319SS*.Hα-helixtrans-62.9-20.6175.584.30000113.9E143 E144 S145E143-S147 PolarHBondContact O-N 2.91Å; E143-S147 VanDerWaalsContact O-N 3.11Å; E144-S147 WeakPolarHBondContact O-CB 3.26Å; E144-S147 PolarHBondContact O-N 3.25Å; E144-S147 VanDerWaalsContact O-N 3.16Å; E144-S147 PolarHBondContact O-OG 3.17Å; S145-S147 PolarHBondContact O-N 3.16Å
148F93.6Very high95.2Very high152 Ų15259 Ų5967%0.66731%0.309SS*.THydrogen-bonded Turntrans-101.613.3174.2-63.4-77.9000113.6E144 S145 R146 D150E144-F148 WeakPolarHBondContact O-CD2 3.47Å; S145-F148 CarbonylContact O-C 3.57Å; S145-F148 WeakPolarHBondContact O-CA 3.46Å; S145-F148 PolarHBondContact O-N 2.59Å; R146-F148 PolarHBondContact O-N 3.46Å; F148-D150 PolarHBondContact O-N 3.44Å
149N93Very high94.4Very high127 Ų12770.1 Ų70.168%0.67936%0.361SS*.THydrogen-bonded Turntrans64.621.2-174.2-44.9-81.8000114.3S145 R146S145-N149 PolarHBondContact O-N 2.93Å; R146-N149 PolarHBondContact O-N 3.03Å
150D94.6Very high94.3Very high72 Ų7271.8 Ų71.839%0.38537%0.366SS..  trans-95.294.1170.7-174.78.2000109.3S145 R146 F148 P153S145-D150 CarbonylContact C-O 3.57Å; S145-D150 WeakPolarHBondContact CB-O 3.44Å; S145-D150 PolarHBondContact O-N 2.98Å; R146-D150 PolarHBondContact N-O 3.25Å; F148-D150 PolarHBondContact O-N 3.44Å; D150-P153 WeakPolarHBondContact OD2-CA 3.4Å; D150-P153 WeakPolarHBondContact OD2-CB 3.18Å
151W92.3Very high94.2Very high152 Ų15272.2 Ų72.258%0.57637%0.365SS*.SBendtrans-79.3-25-171.7-63.497.8000114R146R146-W151 HydrophobicContact CG-CE3 3.9Å; R146-W151 HydrophobicContact CG-CZ3 4.19Å
152V96Very high94Very high12 Ų1275.8 Ų75.87%0.07338%0.384CS..SBendtrans-134.878.2176.6-1720000108Q82 I92 R94Q82-V152 HydrophobicContact CG-CG2 3.51Å; I92-V152 HydrophobicContact CG1-CG1 4.2Å; I92-V152 HydrophobicContact CG2-CG1 4.31Å; I92-V152 HydrophobicContact CG2-CG2 3.95Å; R94-V152 HydrophobicContact CG-CG1 3.73Å
153P96.9Very high93.8Very high3 Ų380 Ų802%0.01941%0.405CS..  trans-66.3144.7-174.426.8-34.6000111.4V93 R94 F141 S145 D150V93-P153 VanDerWaalsContact CA-O 3.3Å; V93-P153 WeakPolarHBondContact CA-O 3.44Å; V93-P153 WeakPolarHBondContact CB-O 3.37Å; V93-P153 HydrophobicContact CG1-CG 4.29Å; R94-P153 PolarHBondContact N-O 3.5Å; F141-P153 HydrophobicContact CD1-CG 4.23Å; F141-P153 HydrophobicContact CE1-CB 3.69Å; F141-P153 HydrophobicContact CE1-CG 3.72Å; F141-P153 HydrophobicContact CZ-CB 4.09Å; S145-P153 WeakPolarHBondContact OG-CB 3.34Å; D150-P153 WeakPolarHBondContact OD2-CA 3.4Å; D150-P153 WeakPolarHBondContact OD2-CB 3.18Å
154S96.2Very high93.7Very high73 Ų7377 Ų7751%0.5139%0.393SS..EExtended strand (participates in β ladder)trans-85.9140.5174.2-61.50000111.3M19 R94M19-S154 WeakPolarHBondContact CE-O 3.46Å; M19-S154 VanDerWaalsContact SD-O 3.4Å; R94-S154 CarbonylContact O-C 3.58Å; R94-S154 VanDerWaalsContact O-CA 3.28Å; R94-S154 WeakPolarHBondContact O-CA 3.49Å
155I97.1Very high93.6Very high3 Ų376.7 Ų76.72%0.01539%0.393CS..EExtended strand (participates in β ladder)trans-120.4133.8174.1-67.4179.9000109.4A22 L26 V93 R94 L138 F141A22-I155 HydrophobicContact CB-CD1 3.95Å; A22-I155 HydrophobicContact CB-CG1 4.25Å; L26-I155 HydrophobicContact CB-CG2 4.44Å; L26-I155 HydrophobicContact CD2-CB 4.21Å; L26-I155 HydrophobicContact CD2-CD1 4.31Å; L26-I155 HydrophobicContact CD2-CG2 3.9Å; V93-I155 HydrophobicContact CB-CD1 4.14Å; V93-I155 HydrophobicContact CB-CG1 4.4Å; V93-I155 HydrophobicContact CG1-CD1 3.79Å; V93-I155 HydrophobicContact CG1-CG1 4.35Å; V93-I155 HydrophobicContact CG2-CD1 4.27Å; R94-I155 PolarHBondContact O-N 2.91Å; L138-I155 HydrophobicContact CD2-CD1 3.65Å; F141-I155 HydrophobicContact CD1-CD1 3.98Å; F141-I155 HydrophobicContact CD1-CG1 4.31Å; F141-I155 HydrophobicContact CE1-CD1 3.72Å; F141-I155 HydrophobicContact CE1-CG1 3.55Å; F141-I155 HydrophobicContact CZ-CD1 4.43Å; F141-I155 HydrophobicContact CZ-CG1 3.91Å
156T95.4Very high93.4Very high105 Ų10581.9 Ų81.964%0.64442%0.419SS*.PPolyproline II helixtrans-90.7121.8168.9-490000109.6G23G23-T156 WeakPolarHBondContact CA-O 3.44Å
157L93.7Very high93.3Very high17 Ų1782.5 Ų82.59%0.08943%0.43CS..PPolyproline II helixtrans-68.2143.6174.7-68.9173.2000110.4L26 V95 R100 L101 I104L26-L157 HydrophobicContact CB-CD2 4.41Å; L26-L157 HydrophobicContact CD2-CD2 3.79Å; L26-L157 HydrophobicContact CG-CD2 4.02Å; V95-L157 HydrophobicContact CG1-CD1 3.66Å; V95-L157 HydrophobicContact CG1-CG 3.9Å; R100-L157 HydrophobicContact CB-CD1 4.16Å; R100-L157 HydrophobicContact CG-CB 3.82Å; R100-L157 HydrophobicContact CG-CD1 3.84Å; R100-L157 HydrophobicContact CG-CG 4.5Å; L101-L157 HydrophobicContact CB-CD1 4.15Å; L101-L157 HydrophobicContact CD1-CD1 4.37Å; I104-L157 HydrophobicContact CD1-CD1 3.94Å; I104-L157 HydrophobicContact CD1-CD2 3.99Å; I104-L157 HydrophobicContact CD1-CG 4.42Å
158P91Very high93.3Very high38 Ų3882.3 Ų82.325%0.24742%0.416CS..PPolyproline II helixtrans-69.3150.2175.129.4-34.2000110.9G23 H27 R100G23-P158 WeakPolarHBondContact O-CD 3.47Å; H27-P158 HydrophobicContact CB-CG 4.07Å; R100-P158 PolarHBondContact NE-O 3Å; R100-P158 PolarHBondContact NH2-O 2.95Å
159E79.8Confident93.3Very high233 Ų23375.9 Ų75.9100%1.08939%0.393SS*.  trans-59.90171.5-68.2-174.5167.100113.9R100R100-E159 VanDerWaalsContact CZ-C 3.42Å; R100-E159 PolarHBondContact NH1-OXT 3.37Å; R100-E159 PolarHBondContact NH2-O 3.01Å; R100-E159 PolarHBondContact NH2-OXT 3.17Å

Retrieved 159 of 159 residues in 38.3 ms (Link to these results)

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