A0A5K4FCZ9_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M69.1Low88.6Confident195 Ų195128.3 Ų128.396%0.96159%0.59SS**  0-23.30-165.7161.858.100114.3
2N87.5Confident89Confident101 Ų101128.8 Ų128.854%0.5459%0.589SS.*Hα-helixtrans-72.7-46.6-176.4-165.743.2000114.6Q4 K5 E6N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 2.95Å; N2-K5 WeakPolarHBondContact O-CB 3.45Å; N2-K5 PolarHBondContact O-N 2.92Å; N2-E6 PolarHBondContact ND2-OE1 3.24Å; N2-E6 PolarHBondContact O-N 3.19Å; N2-E6 VanDerWaalsContact O-N 3.11Å
3Q86.7Confident89.2Confident164 Ų164122.7 Ų122.777%0.76658%0.575SS**Hα-helixtrans-59.3-36-175.5-63.8-170.926.600114E6 K7Q3-E6 PolarHBondContact O-N 3.42Å; Q3-K7 WeakPolarHBondContact O-CB 3.39Å; Q3-K7 PolarHBondContact O-N 3.36Å
4Q87.7Confident89.4Confident108 Ų108118.7 Ų118.751%0.50556%0.563SS.*Hα-helixtrans-69.5-34.6178.1-171.462.221.200112.1N2 N8N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 2.95Å; Q4-N8 WeakPolarHBondContact O-CB 3.4Å; Q4-N8 VanDerWaalsContact O-CG 3.23Å; Q4-N8 PolarHBondContact O-N 3.11Å; Q4-N8 PolarHBondContact O-ND2 3.41Å
5K91Very high89.6Confident128 Ų128121.9 Ų121.956%0.55757%0.574SS**Hα-helixtrans-65.8-45.4174.1-70.9-177177.8-178.30110.3N2 N8 Q9N2-K5 WeakPolarHBondContact O-CB 3.45Å; N2-K5 PolarHBondContact O-N 2.92Å; K5-N8 PolarHBondContact O-N 3.02Å; K5-Q9 WeakPolarHBondContact O-CG 3.29Å; K5-Q9 PolarHBondContact O-N 3.47Å
6E90.9Very high89.7Confident108 Ų108118.8 Ų118.851%0.50557%0.565SS.*Hα-helixtrans-60.7-46.7176.6-69.8171.216100111.8N2 Q3 N8 Q9 W10N2-E6 PolarHBondContact ND2-OE1 3.24Å; N2-E6 PolarHBondContact O-N 3.19Å; N2-E6 VanDerWaalsContact O-N 3.11Å; Q3-E6 PolarHBondContact O-N 3.42Å; E6-N8 VanDerWaalsContact C-N 3.31Å; E6-N8 PolarHBondContact O-N 3.04Å; E6-Q9 PolarHBondContact O-N 2.9Å; E6-W10 PolarHBondContact O-N 2.87Å
7K91.4Very high89.7Confident118 Ų118117.2 Ų117.251%0.51356%0.561SS.*Hα-helixtrans-59.1-41175.8-171.8174.3-175.1173.20112.3Q3 K11Q3-K7 WeakPolarHBondContact O-CB 3.39Å; Q3-K7 PolarHBondContact O-N 3.36Å; K7-K11 WeakPolarHBondContact O-CG 3.34Å; K7-K11 PolarHBondContact O-N 3.18Å
8N94.8Very high89.6Confident73 Ų73118.3 Ų118.339%0.3956%0.563SS.*Hα-helixtrans-68.4-39.5177-75.1-15.1000112.1Q4 K5 E6 K11 K12Q4-N8 WeakPolarHBondContact O-CB 3.4Å; Q4-N8 VanDerWaalsContact O-CG 3.23Å; Q4-N8 PolarHBondContact O-N 3.11Å; Q4-N8 PolarHBondContact O-ND2 3.41Å; K5-N8 PolarHBondContact O-N 3.02Å; E6-N8 VanDerWaalsContact C-N 3.31Å; E6-N8 PolarHBondContact O-N 3.04Å; N8-K11 PolarHBondContact O-N 2.92Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 PolarHBondContact O-N 2.98Å
9Q92.1Very high89.5Confident124 Ų124117.6 Ų117.658%0.57956%0.563SS**Hα-helixtrans-64.8-43.6175.3-70.4-70.322.800111.6K5 E6 K11 K12 A13K5-Q9 WeakPolarHBondContact O-CG 3.29Å; K5-Q9 PolarHBondContact O-N 3.47Å; E6-Q9 PolarHBondContact O-N 2.9Å; Q9-K11 PolarHBondContact O-N 3.26Å; Q9-K12 PolarHBondContact O-N 3.47Å; Q9-A13 PolarHBondContact O-N 3.05Å
10W89.6Confident89.2Confident178 Ų178118.1 Ų118.167%0.67456%0.562SS**Hα-helixtrans-60.4-45.5175.7-175.580.6000111.9E6 K12 A13 V14E6-W10 PolarHBondContact O-N 2.87Å; W10-K12 VanDerWaalsContact C-N 3.32Å; W10-K12 PolarHBondContact O-N 2.89Å; W10-A13 PolarHBondContact O-N 3.19Å; W10-V14 HydrophobicContact CD2-CG2 3.94Å; W10-V14 HydrophobicContact CE3-CG2 4.32Å; W10-V14 HydrophobicContact CG-CG2 4.46Å; W10-V14 HydrophobicContact CH2-CG2 4.24Å; W10-V14 HydrophobicContact CZ2-CG2 3.85Å; W10-V14 HydrophobicContact CZ3-CG2 4.46Å; W10-V14 VanDerWaalsContact O-CG2 3.29Å; W10-V14 WeakPolarHBondContact O-CG2 3.48Å; W10-V14 PolarHBondContact O-N 3.36Å
11K93.6Very high88.7Confident114 Ų114118.5 Ų118.550%0.49657%0.567SS.*Hα-helixtrans-58.7-41174.7-75.6-179.1177-172.60112.7K7 N8 Q9 K15K7-K11 WeakPolarHBondContact O-CG 3.34Å; K7-K11 PolarHBondContact O-N 3.18Å; N8-K11 PolarHBondContact O-N 2.92Å; Q9-K11 PolarHBondContact O-N 3.26Å; K11-K15 WeakPolarHBondContact O-CB 3.47Å; K11-K15 PolarHBondContact O-N 3.25Å
12K93.7Very high89.2Confident135 Ų135114.8 Ų114.859%0.58755%0.545SS*.Hα-helixtrans-64.6-47.3175.6-74.2179.2-179.8-176.70111.3N8 Q9 W10 V14 K15 T16N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 PolarHBondContact O-N 2.98Å; Q9-K12 PolarHBondContact O-N 3.47Å; W10-K12 VanDerWaalsContact C-N 3.32Å; W10-K12 PolarHBondContact O-N 2.89Å; K12-V14 PolarHBondContact O-N 3.41Å; K12-K15 PolarHBondContact O-N 3.05Å; K12-T16 PolarHBondContact O-N 3.5Å; K12-T16 PolarHBondContact O-OG1 3.44Å; K12-T16 VanDerWaalsContact O-OG1 3.05Å
13A91.3Very high88.8Confident49 Ų49114.3 Ų114.341%0.40554%0.542SS..Hα-helixtrans-60.5-44.7178.600000112.2Q9 W10 K15 T16 N17Q9-A13 PolarHBondContact O-N 3.05Å; W10-A13 PolarHBondContact O-N 3.19Å; A13-K15 PolarHBondContact O-N 3.47Å; A13-T16 PolarHBondContact O-N 3.5Å; A13-N17 WeakPolarHBondContact O-CB 3.42Å; A13-N17 PolarHBondContact O-N 3.31Å
14V91.9Very high88Confident67 Ų67110.7 Ų110.741%0.40653%0.531SS..Hα-helixtrans-61.2-44.6175.7172.30000111.3W10 K12 T16 N17 K18W10-V14 HydrophobicContact CD2-CG2 3.94Å; W10-V14 HydrophobicContact CE3-CG2 4.32Å; W10-V14 HydrophobicContact CG-CG2 4.46Å; W10-V14 HydrophobicContact CH2-CG2 4.24Å; W10-V14 HydrophobicContact CZ2-CG2 3.85Å; W10-V14 HydrophobicContact CZ3-CG2 4.46Å; W10-V14 VanDerWaalsContact O-CG2 3.29Å; W10-V14 WeakPolarHBondContact O-CG2 3.48Å; W10-V14 PolarHBondContact O-N 3.36Å; K12-V14 PolarHBondContact O-N 3.41Å; V14-T16 PolarHBondContact O-N 2.89Å; V14-N17 PolarHBondContact O-N 3.49Å; V14-K18 WeakPolarHBondContact O-CB 3.43Å; V14-K18 PolarHBondContact O-N 3.05Å
15K93.1Very high87.1Confident167 Ų167108.9 Ų108.973%0.72653%0.53SS*.Hα-helixtrans-61.6-44.2176.7-171.4179.3-179.2-178.50111.6K11 K12 A13 K18 L19K11-K15 WeakPolarHBondContact O-CB 3.47Å; K11-K15 PolarHBondContact O-N 3.25Å; K12-K15 PolarHBondContact O-N 3.05Å; A13-K15 PolarHBondContact O-N 3.47Å; K15-K18 PolarHBondContact O-N 2.92Å; K15-L19 PolarHBondContact O-N 3.46Å
16T90.9Very high86.2Confident71 Ų71109.9 Ų109.944%0.43653%0.534SS..Hα-helixtrans-63.2-45.2177.5-60.60000111.8K12 A13 V14 K18 L19 K20K12-T16 PolarHBondContact O-N 3.5Å; K12-T16 PolarHBondContact O-OG1 3.44Å; K12-T16 VanDerWaalsContact O-OG1 3.05Å; A13-T16 PolarHBondContact O-N 3.5Å; V14-T16 PolarHBondContact O-N 2.89Å; T16-K18 PolarHBondContact O-N 3.06Å; T16-L19 PolarHBondContact O-N 2.94Å; T16-K20 WeakPolarHBondContact O-CG 3.42Å; T16-K20 PolarHBondContact O-N 3.15Å
17N90.5Very high85.2Confident93 Ų93109 Ų10950%0.49754%0.536SS..Hα-helixtrans-63.6-41.7177.5-76.2-9.9000112A13 V14 L19 K20 L21A13-N17 WeakPolarHBondContact O-CB 3.42Å; A13-N17 PolarHBondContact O-N 3.31Å; V14-N17 PolarHBondContact O-N 3.49Å; N17-L19 VanDerWaalsContact C-N 3.29Å; N17-L19 PolarHBondContact O-N 3.22Å; N17-K20 PolarHBondContact O-N 3.23Å; N17-L21 WeakPolarHBondContact O-CG 3.4Å; N17-L21 PolarHBondContact O-N 2.93Å
18K87.3Confident84Confident136 Ų136106.7 Ų106.759%0.59153%0.533SS*.Hα-helixtrans-60.6-38.8174.6-171.4172.9-174.1171.90112V14 K15 T16 K22V14-K18 WeakPolarHBondContact O-CB 3.43Å; V14-K18 PolarHBondContact O-N 3.05Å; K15-K18 PolarHBondContact O-N 2.92Å; T16-K18 PolarHBondContact O-N 3.06Å; K18-K22 WeakPolarHBondContact O-CG 3.38Å; K18-K22 PolarHBondContact O-N 3.05Å; K18-K22 VanDerWaalsContact O-N 3.15Å
19L87.2Confident82.8Confident106 Ų106108.3 Ų108.356%0.55554%0.536SS*.Hα-helixtrans-68-44.2176.1-173.564.1000111.7K15 T16 N17 L21 K22 I23K15-L19 PolarHBondContact O-N 3.46Å; T16-L19 PolarHBondContact O-N 2.94Å; N17-L19 VanDerWaalsContact C-N 3.29Å; N17-L19 PolarHBondContact O-N 3.22Å; L19-L21 PolarHBondContact O-N 3.39Å; L19-K22 PolarHBondContact O-N 3.07Å; L19-I23 HydrophobicContact CG-CD1 4.11Å; L19-I23 WeakPolarHBondContact O-CG1 3.32Å; L19-I23 PolarHBondContact O-N 3.37Å
20K84.8Confident82Confident127 Ų127106.9 Ų106.955%0.55254%0.536SS*.Hα-helixtrans-57.9-46.3175.4-73.6-178.3176.9-175.10111.8T16 N17 K22 I23 V24T16-K20 WeakPolarHBondContact O-CG 3.42Å; T16-K20 PolarHBondContact O-N 3.15Å; N17-K20 PolarHBondContact O-N 3.23Å; K20-K22 VanDerWaalsContact C-N 3.35Å; K20-K22 PolarHBondContact O-N 3.46Å; K20-I23 PolarHBondContact O-N 3.26Å; K20-I23 VanDerWaalsContact O-N 3.17Å; K20-V24 WeakPolarHBondContact O-CG2 3.23Å; K20-V24 PolarHBondContact O-N 2.91Å
21L77.4Confident81.3Confident126 Ų126100.6 Ų100.666%0.6652%0.522SS*.Hα-helixtrans-60.1-42.4176.7-72.3171.9000112.3N17 L19 I23 V24 S25N17-L21 WeakPolarHBondContact O-CG 3.4Å; N17-L21 PolarHBondContact O-N 2.93Å; L19-L21 PolarHBondContact O-N 3.39Å; L21-I23 VanDerWaalsContact C-N 3.33Å; L21-I23 PolarHBondContact O-N 3.22Å; L21-V24 PolarHBondContact O-N 3.45Å; L21-S25 WeakPolarHBondContact O-CB 3.45Å; L21-S25 PolarHBondContact O-N 3.12Å; L21-S25 PolarHBondContact O-OG 3.06Å
22K79.2Confident80.3Confident117 Ų117101 Ų10151%0.50953%0.527SS..Hα-helixtrans-63.8-35.4175.2-75.8-178.3175.9-166.60113.2K18 L19 K20 S25 K26K18-K22 WeakPolarHBondContact O-CG 3.38Å; K18-K22 PolarHBondContact O-N 3.05Å; K18-K22 VanDerWaalsContact O-N 3.15Å; L19-K22 PolarHBondContact O-N 3.07Å; K20-K22 VanDerWaalsContact C-N 3.35Å; K20-K22 PolarHBondContact O-N 3.46Å; K22-S25 WeakPolarHBondContact CA-OG 3.25Å; K22-S25 PolarHBondContact O-OG 3.11Å; K22-K26 WeakPolarHBondContact O-CB 3.43Å; K22-K26 VanDerWaalsContact O-CG 3.25Å; K22-K26 WeakPolarHBondContact O-CG 3.43Å; K22-K26 PolarHBondContact O-N 2.62Å
23I79Confident79.4Confident92 Ų9296.7 Ų96.747%0.47251%0.509SS..Hα-helixtrans-69.7-50.8177.1-68.4165.4000109.5L19 K20 L21 S25 K26 T27L19-I23 HydrophobicContact CG-CD1 4.11Å; L19-I23 WeakPolarHBondContact O-CG1 3.32Å; L19-I23 PolarHBondContact O-N 3.37Å; K20-I23 PolarHBondContact O-N 3.26Å; K20-I23 VanDerWaalsContact O-N 3.17Å; L21-I23 VanDerWaalsContact C-N 3.33Å; L21-I23 PolarHBondContact O-N 3.22Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 3.17Å; I23-K26 WeakPolarHBondContact O-CB 3.5Å; I23-K26 PolarHBondContact O-N 2.93Å; I23-K26 VanDerWaalsContact O-N 3.12Å; I23-T27 PolarHBondContact O-N 3.21Å; I23-T27 PolarHBondContact O-OG1 3.33Å; I23-T27 VanDerWaalsContact O-OG1 3.14Å
24V70.4Confident78.7Confident87 Ų87101.2 Ų101.253%0.52752%0.519SS..Hα-helixtrans-56.2-47.7177.81740000110.7K20 L21 K26 T27 T28K20-V24 WeakPolarHBondContact O-CG2 3.23Å; K20-V24 PolarHBondContact O-N 2.91Å; L21-V24 PolarHBondContact O-N 3.45Å; V24-K26 VanDerWaalsContact C-N 3.31Å; V24-K26 PolarHBondContact O-N 2.93Å; V24-T27 PolarHBondContact O-N 3.14Å; V24-T28 PolarHBondContact O-N 2.91Å; V24-T28 PolarHBondContact O-OG1 2.95Å; V24-T28 VanDerWaalsContact O-OG1 3.05Å
25S69.6Low78Confident71 Ų71103.1 Ų103.150%0.49753%0.526SS..Hα-helixtrans-60.5-38.7178.666.30000113L21 K22 I23 K29L21-S25 WeakPolarHBondContact O-CB 3.45Å; L21-S25 PolarHBondContact O-N 3.12Å; L21-S25 PolarHBondContact O-OG 3.06Å; K22-S25 WeakPolarHBondContact CA-OG 3.25Å; K22-S25 PolarHBondContact O-OG 3.11Å; I23-S25 VanDerWaalsContact C-N 3.33Å; I23-S25 PolarHBondContact O-N 3.17Å; S25-K29 WeakPolarHBondContact O-CB 3.44Å; S25-K29 PolarHBondContact O-N 3.43Å
26K70.8Confident77.2Confident148 Ų14896 Ų9664%0.64350%0.495SS*.Hα-helixtrans-66.5-46.8175.5-77.5177.7176.9-166.90111.2K22 I23 V24 T28 K29 T30K22-K26 WeakPolarHBondContact O-CB 3.43Å; K22-K26 VanDerWaalsContact O-CG 3.25Å; K22-K26 WeakPolarHBondContact O-CG 3.43Å; K22-K26 PolarHBondContact O-N 2.62Å; I23-K26 WeakPolarHBondContact O-CB 3.5Å; I23-K26 PolarHBondContact O-N 2.93Å; I23-K26 VanDerWaalsContact O-N 3.12Å; V24-K26 VanDerWaalsContact C-N 3.31Å; V24-K26 PolarHBondContact O-N 2.93Å; K26-T28 PolarHBondContact O-N 3.18Å; K26-K29 PolarHBondContact O-N 2.99Å; K26-T30 PolarHBondContact O-N 2.7Å; K26-T30 PolarHBondContact O-OG1 3.02Å; K26-T30 VanDerWaalsContact O-OG1 3.12Å
27T70Confident76.5Confident89 Ų8992.7 Ų92.755%0.54647%0.474SS..Hα-helixtrans-60.8-44.3178.8-57.40000111.7I23 V24 T30 A31I23-T27 PolarHBondContact O-N 3.21Å; I23-T27 PolarHBondContact O-OG1 3.33Å; I23-T27 VanDerWaalsContact O-OG1 3.14Å; V24-T27 PolarHBondContact O-N 3.14Å; T27-T30 PolarHBondContact O-N 2.71Å; T27-A31 WeakPolarHBondContact O-CB 3.49Å; T27-A31 PolarHBondContact O-N 2.9Å
28T66Low75.8Confident71 Ų7191.8 Ų91.844%0.43647%0.47SS..Hα-helixtrans-63.3-43.4176.4-53.70000111.7V24 K26 T30 A31 M32V24-T28 PolarHBondContact O-N 2.91Å; V24-T28 PolarHBondContact O-OG1 2.95Å; V24-T28 VanDerWaalsContact O-OG1 3.05Å; K26-T28 PolarHBondContact O-N 3.18Å; T28-T30 VanDerWaalsContact C-N 3.33Å; T28-T30 PolarHBondContact O-N 3.32Å; T28-A31 PolarHBondContact O-N 3.18Å; T28-M32 HydrophobicContact CG2-CE 4.3Å; T28-M32 WeakPolarHBondContact O-CG 3.5Å; T28-M32 PolarHBondContact O-N 3.47Å
29K71.5Confident75.4Confident106 Ų10690.2 Ų90.246%0.46147%0.466SS..Hα-helixtrans-59.8-43.5175.5-172.7174.8-178.5177.70111.3S25 K26 K33S25-K29 WeakPolarHBondContact O-CB 3.44Å; S25-K29 PolarHBondContact O-N 3.43Å; K26-K29 PolarHBondContact O-N 2.99Å; K29-K33 WeakPolarHBondContact O-CB 3.46Å; K29-K33 WeakPolarHBondContact O-CG 3.37Å; K29-K33 PolarHBondContact O-N 3.39Å
30T74Confident75Confident94 Ų9485.4 Ų85.458%0.57744%0.441SS*.Hα-helixtrans-64.5-43.2176.8-59.30000112.4K26 T27 T28 K33 K34K26-T30 PolarHBondContact O-N 2.7Å; K26-T30 PolarHBondContact O-OG1 3.02Å; K26-T30 VanDerWaalsContact O-OG1 3.12Å; T27-T30 PolarHBondContact O-N 2.71Å; T28-T30 VanDerWaalsContact C-N 3.33Å; T28-T30 PolarHBondContact O-N 3.32Å; T30-K33 PolarHBondContact O-N 3.44Å; T30-K34 PolarHBondContact O-N 3.36Å
31A74.4Confident74.6Confident47 Ų4781 Ų8139%0.38842%0.424SS..Hα-helixtrans-63.4-45.8177.700000111.8T27 T28 K33 K34 I35T27-A31 WeakPolarHBondContact O-CB 3.49Å; T27-A31 PolarHBondContact O-N 2.9Å; T28-A31 PolarHBondContact O-N 3.18Å; A31-K33 PolarHBondContact O-N 3.16Å; A31-K34 PolarHBondContact O-N 2.94Å; A31-K34 VanDerWaalsContact O-N 3.17Å; A31-I35 WeakPolarHBondContact O-CG1 3.35Å; A31-I35 PolarHBondContact O-N 2.91Å
32M73.1Confident74.2Confident122 Ų12280.3 Ų80.360%0.60142%0.416SS*.Hα-helixtrans-62.9-41.4175.9-71.9-156-7000112T28 K34 I35 F36T28-M32 HydrophobicContact CG2-CE 4.3Å; T28-M32 WeakPolarHBondContact O-CG 3.5Å; T28-M32 PolarHBondContact O-N 3.47Å; M32-K34 VanDerWaalsContact C-N 3.31Å; M32-K34 PolarHBondContact O-N 2.94Å; M32-I35 PolarHBondContact O-N 3.43Å; M32-F36 VanDerWaalsContact O-CB 3.29Å; M32-F36 WeakPolarHBondContact O-CB 3.48Å; M32-F36 PolarHBondContact O-N 3.47Å
33K75.4Confident73.5Confident45 Ų4578.7 Ų78.720%0.19641%0.407CS..Hα-helixtrans-55.9-44.6171.9-80.3-176.7176.5-161.20111.8K29 T30 A31 F37 L96 H113K29-K33 WeakPolarHBondContact O-CB 3.46Å; K29-K33 WeakPolarHBondContact O-CG 3.37Å; K29-K33 PolarHBondContact O-N 3.39Å; T30-K33 PolarHBondContact O-N 3.44Å; A31-K33 PolarHBondContact O-N 3.16Å; K33-F37 WeakPolarHBondContact O-CB 3.23Å; K33-F37 PolarHBondContact O-N 3.12Å; K33-L96 HydrophobicContact CG-CD1 4.13Å; K33-H113 WeakPolarHBondContact CE-NE2 3.41Å; K33-H113 PolarHBondContact NZ-CD2 3.43Å; K33-H113 PolarHBondContact NZ-NE2 2.83Å; K33-H113 PolarHBondContact NZ-O 2.97Å
34K76Confident72.6Confident143 Ų14381 Ų8162%0.62242%0.42SS*.Hα-helixtrans-66.9-42.5179.5-170.9176.5-179.11800112.4T30 A31 M32 F37 N38T30-K34 PolarHBondContact O-N 3.36Å; A31-K34 PolarHBondContact O-N 2.94Å; A31-K34 VanDerWaalsContact O-N 3.17Å; M32-K34 VanDerWaalsContact C-N 3.31Å; M32-K34 PolarHBondContact O-N 2.94Å; K34-F37 PolarHBondContact O-N 3.38Å; K34-N38 PolarHBondContact O-N 2.93Å; K34-N38 PolarHBondContact O-OD1 3.3Å
35I76.9Confident71.9Confident107 Ų10784.6 Ų84.655%0.54944%0.436SS..Hα-helixtrans-62.1-51176-68.2166.4000109.9A31 M32 F37 N38 M39A31-I35 WeakPolarHBondContact O-CG1 3.35Å; A31-I35 PolarHBondContact O-N 2.91Å; M32-I35 PolarHBondContact O-N 3.43Å; I35-F37 VanDerWaalsContact C-N 3.33Å; I35-F37 PolarHBondContact O-N 3.31Å; I35-N38 PolarHBondContact O-N 2.96Å; I35-M39 HydrophobicContact CG2-SD 4.2Å; I35-M39 WeakPolarHBondContact O-CG 3.48Å; I35-M39 PolarHBondContact O-N 3.28Å
36F76.3Confident71.2Confident18 Ų1889.1 Ų89.18%0.07945%0.449CS..Hα-helixtrans-58.7-45.5178.6177.8-107000111.9M32 N38 M39 V40 F56 L89 N92 W93 L96M32-F36 VanDerWaalsContact O-CB 3.29Å; M32-F36 WeakPolarHBondContact O-CB 3.48Å; M32-F36 PolarHBondContact O-N 3.47Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 2.92Å; F36-M39 WeakPolarHBondContact O-CB 3.3Å; F36-M39 PolarHBondContact O-N 2.83Å; F36-M39 VanDerWaalsContact O-N 3.07Å; F36-V40 HydrophobicContact CD1-CG2 4.16Å; F36-V40 HydrophobicContact CD2-CG2 4.18Å; F36-V40 HydrophobicContact CE1-CG2 3.68Å; F36-V40 HydrophobicContact CE2-CG2 3.65Å; F36-V40 HydrophobicContact CG-CG2 4.41Å; F36-V40 HydrophobicContact CZ-CG2 3.41Å; F36-V40 VanDerWaalsContact CZ-CG2 3.41Å; F36-V40 WeakPolarHBondContact O-CG2 3.43Å; F36-V40 PolarHBondContact O-N 3.08Å; F36-F56 HydrophobicContact CD1-CE1 4.23Å; F36-F56 HydrophobicContact CD1-CZ 4.15Å; F36-F56 HydrophobicContact CE1-CE1 4.09Å; F36-F56 HydrophobicContact CE1-CZ 4.4Å; F36-L89 HydrophobicContact CD2-CD2 4.33Å; F36-L89 HydrophobicContact CE2-CD2 3.98Å; F36-N92 HydrophobicContact CD2-CB 3.86Å; F36-N92 HydrophobicContact CE2-CB 3.37Å; F36-N92 HydrophobicContact CZ-CB 4.17Å; F36-W93 HydrophobicContact CE1-CD2 4.38Å; F36-W93 AromaticContact CE1-CE3 3.6Å; F36-W93 HydrophobicContact CE1-CE3 3.6Å; F36-W93 HydrophobicContact CE1-CZ3 4.23Å; F36-W93 HydrophobicContact CZ-CB 3.87Å; F36-W93 HydrophobicContact CZ-CD2 4.33Å; F36-W93 AromaticContact CZ-CE3 3.66Å; F36-W93 HydrophobicContact CZ-CE3 3.66Å; F36-W93 HydrophobicContact CZ-CG 4.48Å; F36-L96 HydrophobicContact CD1-CD2 3.64Å; F36-L96 HydrophobicContact CE1-CD2 3.77Å
37F75.9Confident70.4Confident1 Ų190.3 Ų90.30%0.00446%0.457CS..Hα-helixtrans-54.5-49.3175.5-178.3-83.8000112K33 K34 I35 M39 V40 V41 R43 T52 T55 F56K33-F37 WeakPolarHBondContact O-CB 3.23Å; K33-F37 PolarHBondContact O-N 3.12Å; K34-F37 PolarHBondContact O-N 3.38Å; I35-F37 VanDerWaalsContact C-N 3.33Å; I35-F37 PolarHBondContact O-N 3.31Å; F37-M39 PolarHBondContact O-N 3.47Å; F37-V40 PolarHBondContact O-N 3.18Å; F37-V41 HydrophobicContact CD1-CB 4.41Å; F37-V41 HydrophobicContact CD1-CG2 4.2Å; F37-V41 HydrophobicContact CD2-CG2 4.08Å; F37-V41 HydrophobicContact CE1-CB 3.86Å; F37-V41 HydrophobicContact CE1-CG1 4.12Å; F37-V41 HydrophobicContact CE1-CG2 3.7Å; F37-V41 HydrophobicContact CE2-CG2 3.71Å; F37-V41 HydrophobicContact CG-CG2 4.35Å; F37-V41 HydrophobicContact CZ-CB 4.1Å; F37-V41 HydrophobicContact CZ-CG1 4.2Å; F37-V41 HydrophobicContact CZ-CG2 3.52Å; F37-V41 WeakPolarHBondContact O-CB 3.43Å; F37-V41 WeakPolarHBondContact O-CG2 3.23Å; F37-V41 PolarHBondContact O-N 2.92Å; F37-R43 HydrophobicContact CE1-CG 4.31Å; F37-R43 VanDerWaalsContact CE1-NE 3.34Å; F37-R43 VanDerWaalsContact CZ-CZ 3.5Å; F37-R43 VanDerWaalsContact CZ-NH2 3.27Å; F37-T52 HydrophobicContact CB-CG2 4.22Å; F37-T52 HydrophobicContact CD2-CG2 3.28Å; F37-T52 HydrophobicContact CE2-CG2 3.75Å; F37-T52 WeakPolarHBondContact CE2-O 3.32Å; F37-T52 HydrophobicContact CG-CG2 3.85Å; F37-T55 HydrophobicContact CE2-CG2 3.8Å; F37-T55 HydrophobicContact CZ-CG2 3.71Å; F37-F56 HydrophobicContact CB-CZ 4.25Å; F37-F56 HydrophobicContact CD2-CD1 4.47Å; F37-F56 HydrophobicContact CD2-CD2 4.48Å; F37-F56 HydrophobicContact CD2-CE1 4.01Å; F37-F56 HydrophobicContact CD2-CE2 4.01Å; F37-F56 AromaticContact CD2-CZ 3.77Å; F37-F56 HydrophobicContact CD2-CZ 3.77Å
38N76.9Confident70.1Confident74 Ų7488.4 Ų88.440%0.39645%0.448SS..Hα-helixtrans-60.4-37.4178.3-75.34.2000111.6K34 I35 F36 K42K34-N38 PolarHBondContact O-N 2.93Å; K34-N38 PolarHBondContact O-OD1 3.3Å; I35-N38 PolarHBondContact O-N 2.96Å; F36-N38 VanDerWaalsContact C-N 3.33Å; F36-N38 PolarHBondContact O-N 2.92Å; N38-K42 PolarHBondContact O-N 3.17Å; N38-K42 VanDerWaalsContact O-N 3.13Å
39M79.1Confident70.5Confident103 Ų10391.4 Ų91.451%0.50747%0.466SS..Hα-helixtrans-66.1-43.6176.7-65.2172.576.100112.8I35 F36 F37 L89I35-M39 HydrophobicContact CG2-SD 4.2Å; I35-M39 WeakPolarHBondContact O-CG 3.48Å; I35-M39 PolarHBondContact O-N 3.28Å; F36-M39 WeakPolarHBondContact O-CB 3.3Å; F36-M39 PolarHBondContact O-N 2.83Å; F36-M39 VanDerWaalsContact O-N 3.07Å; F37-M39 PolarHBondContact O-N 3.47Å; M39-L89 HydrophobicContact CB-CD2 3.94Å; M39-L89 HydrophobicContact CE-CD2 3.89Å; M39-L89 HydrophobicContact SD-CD2 4.49Å
40V78.3Confident70.9Confident5 Ų590.6 Ų90.63%0.0346%0.462CS..Hα-helixtrans-71.4-48-178.3173.20000110.8F36 F37 K42 I59 F80 R85 L89 W93F36-V40 HydrophobicContact CD1-CG2 4.16Å; F36-V40 HydrophobicContact CD2-CG2 4.18Å; F36-V40 HydrophobicContact CE1-CG2 3.68Å; F36-V40 HydrophobicContact CE2-CG2 3.65Å; F36-V40 HydrophobicContact CG-CG2 4.41Å; F36-V40 HydrophobicContact CZ-CG2 3.41Å; F36-V40 VanDerWaalsContact CZ-CG2 3.41Å; F36-V40 WeakPolarHBondContact O-CG2 3.43Å; F36-V40 PolarHBondContact O-N 3.08Å; F37-V40 PolarHBondContact O-N 3.18Å; V40-K42 PolarHBondContact O-N 2.97Å; V40-I59 HydrophobicContact CG1-CD1 3.62Å; V40-F80 HydrophobicContact CG1-CE1 4.42Å; V40-F80 HydrophobicContact CG1-CZ 4.21Å; V40-R85 PolarHBondContact O-NE 3.13Å; V40-R85 PolarHBondContact O-NH2 3.45Å; V40-L89 HydrophobicContact CG2-CD1 4.44Å; V40-L89 HydrophobicContact CG2-CD2 4.36Å; V40-W93 HydrophobicContact CB-CZ3 4.35Å; V40-W93 HydrophobicContact CG1-CE3 4.13Å; V40-W93 HydrophobicContact CG1-CZ3 3.57Å; V40-W93 HydrophobicContact CG2-CE3 4.06Å; V40-W93 HydrophobicContact CG2-CZ3 4.18Å
41V75.9Confident71.5Confident34 Ų3488.6 Ų88.621%0.20645%0.453CS..Hα-helixtrans-81-19-169.6-179.10000112.2F37 R43 T55 I59F37-V41 HydrophobicContact CD1-CB 4.41Å; F37-V41 HydrophobicContact CD1-CG2 4.2Å; F37-V41 HydrophobicContact CD2-CG2 4.08Å; F37-V41 HydrophobicContact CE1-CB 3.86Å; F37-V41 HydrophobicContact CE1-CG1 4.12Å; F37-V41 HydrophobicContact CE1-CG2 3.7Å; F37-V41 HydrophobicContact CE2-CG2 3.71Å; F37-V41 HydrophobicContact CG-CG2 4.35Å; F37-V41 HydrophobicContact CZ-CB 4.1Å; F37-V41 HydrophobicContact CZ-CG1 4.2Å; F37-V41 HydrophobicContact CZ-CG2 3.52Å; F37-V41 WeakPolarHBondContact O-CB 3.43Å; F37-V41 WeakPolarHBondContact O-CG2 3.23Å; F37-V41 PolarHBondContact O-N 2.92Å; V41-R43 VanDerWaalsContact C-N 3.31Å; V41-R43 HydrophobicContact CB-CG 4.44Å; V41-R43 HydrophobicContact CG1-CG 3.88Å; V41-R43 PolarHBondContact O-N 3.16Å; V41-T55 HydrophobicContact CB-CG2 4.37Å; V41-T55 HydrophobicContact CG1-CG2 3.97Å; V41-T55 HydrophobicContact CG2-CG2 3.41Å; V41-T55 VanDerWaalsContact CG2-CG2 3.41Å; V41-I59 HydrophobicContact CG2-CD1 4.32Å
42K70.1Confident71.9Confident112 Ų11289.1 Ų89.149%0.48745%0.451SS..THydrogen-bonded Turntrans46.856.3-171.4-66.9-172.4-177.1171.20110.4N38 V40 D44 H84N38-K42 PolarHBondContact O-N 3.17Å; N38-K42 VanDerWaalsContact O-N 3.13Å; V40-K42 PolarHBondContact O-N 2.97Å; K42-D44 VanDerWaalsContact C-N 3.31Å; K42-D44 PolarHBondContact O-N 2.93Å; K42-H84 PolarHBondContact NZ-O 2.95Å
43R63.9Low72.6Confident83 Ų8384.8 Ų84.831%0.31343%0.432SS..  trans-65.697.9170.3-76.8-172.1174.3148.40.2107.7F37 V41 S48 K50F37-R43 HydrophobicContact CE1-CG 4.31Å; F37-R43 VanDerWaalsContact CE1-NE 3.34Å; F37-R43 VanDerWaalsContact CZ-CZ 3.5Å; F37-R43 VanDerWaalsContact CZ-NH2 3.27Å; V41-R43 VanDerWaalsContact C-N 3.31Å; V41-R43 HydrophobicContact CB-CG 4.44Å; V41-R43 HydrophobicContact CG1-CG 3.88Å; V41-R43 PolarHBondContact O-N 3.16Å; R43-S48 PolarHBondContact NE-OG 3.05Å; R43-S48 PolarHBondContact NH2-OG 2.83Å; R43-K50 PolarHBondContact NH2-O 3.34Å
44D59.4Low73.3Confident141 Ų14187.3 Ų87.375%0.75445%0.445SS*.  trans-60.8143.2150.8-63.8-35.9000106.2K42 Q46K42-D44 VanDerWaalsContact C-N 3.31Å; K42-D44 PolarHBondContact O-N 2.93Å; D44-Q46 PolarHBondContact O-N 3.25Å
45D57Low73.9Confident162 Ų16281 Ų8187%0.86642%0.419SS*.SBendtrans-63.726.5-167-71-45.3000115.9
46Q53.5Low74.5Confident166 Ų16676 Ų7678%0.77639%0.393SS*.SBendtrans-114.494.1176-60.8-64.2-71.600110.6D44D44-Q46 PolarHBondContact O-N 3.25Å
47E54.6Low75.3Confident173 Ų17376 Ų7681%0.80839%0.394SS*.  trans5565.2141.5-155.1167.5-155.400118.5
48S63.4Low76.1Confident50 Ų5080.2 Ų80.235%0.3541%0.413SS..  trans-94.9109.1150.786.20000109R43 K50R43-S48 PolarHBondContact NE-OG 3.05Å; R43-S48 PolarHBondContact NH2-OG 2.83Å; S48-K50 PolarHBondContact O-N 2.77Å
49T75.1Confident76.9Confident133 Ų13377.3 Ų77.382%0.81640%0.398SS*.  trans-67.8-12.2172.4520000113
50K80.7Confident77.6Confident89 Ų8972.4 Ų72.439%0.38737%0.374SS..SBendtrans-66.8136.3-178.8-57.5-172.7-167.8-178.40111.9R43 S48 E54 E58R43-K50 PolarHBondContact NH2-O 3.34Å; S48-K50 PolarHBondContact O-N 2.77Å; K50-E54 WeakPolarHBondContact CA-OE2 3.17Å; K50-E54 HydrophobicContact CB-CB 4.37Å; K50-E58 WeakPolarHBondContact CD-OE1 3.37Å; K50-E58 WeakPolarHBondContact CE-OE1 3.15Å; K50-E58 IonicContact NZ-OE1 2.6Å; K50-E58 PolarHBondContact NZ-OE1 3.49Å; K50-E58 IonicContact NZ-OE2 2.81Å; K50-E58 PolarHBondContact NZ-OE2 3.17Å
51S85.3Confident78.5Confident53 Ų5375.9 Ų75.937%0.37139%0.388SS..  trans-62.2156.9170.270.90000111S53 E54 T55S51-S53 PolarHBondContact O-N 2.84Å; S51-E54 WeakPolarHBondContact CB-OE2 3.47Å; S51-E54 PolarHBondContact N-OE2 3.13Å; S51-E54 PolarHBondContact O-N 2.83Å; S51-E54 VanDerWaalsContact OG-CD 3.3Å; S51-E54 VanDerWaalsContact OG-CG 3.26Å; S51-E54 WeakPolarHBondContact OG-CG 2.96Å; S51-E54 PolarHBondContact OG-N 3.03Å; S51-E54 PolarHBondContact OG-OE2 2.81Å; S51-T55 PolarHBondContact O-N 2.87Å; S51-T55 PolarHBondContact O-OG1 3.41Å
52T83.1Confident79.4Confident58 Ų5875.7 Ų75.736%0.35639%0.39SS..Hα-helixtrans-54.1-38.8174.2-53.10000111.6F37 F56F37-T52 HydrophobicContact CB-CG2 4.22Å; F37-T52 HydrophobicContact CD2-CG2 3.28Å; F37-T52 HydrophobicContact CE2-CG2 3.75Å; F37-T52 WeakPolarHBondContact CE2-O 3.32Å; F37-T52 HydrophobicContact CG-CG2 3.85Å; T52-F56 HydrophobicContact CG2-CD2 3.89Å; T52-F56 HydrophobicContact CG2-CE2 3.42Å; T52-F56 VanDerWaalsContact CG2-CE2 3.42Å; T52-F56 HydrophobicContact CG2-CZ 4.2Å; T52-F56 WeakPolarHBondContact O-CD2 2.9Å; T52-F56 WeakPolarHBondContact O-CG 3.48Å; T52-F56 PolarHBondContact O-N 2.94Å
53S88.4Confident80.6Confident30 Ų3070.8 Ų70.821%0.2137%0.369CS..Hα-helixtrans-68.1-47.4-178.4-58.80000112.4S51 T55 F56 L57S51-S53 PolarHBondContact O-N 2.84Å; S53-T55 VanDerWaalsContact C-N 3.3Å; S53-T55 PolarHBondContact O-N 3.05Å; S53-F56 PolarHBondContact O-N 3.33Å; S53-F56 VanDerWaalsContact O-N 3.15Å; S53-L57 WeakPolarHBondContact O-CG 3.3Å; S53-L57 PolarHBondContact O-N 3.04Å
54E89.7Confident82.2Confident98 Ų9866.9 Ų66.946%0.45836%0.355SS..Hα-helixtrans-57.7-44177.5-73.6162.115000111.3K50 S51 F56 L57 E58K50-E54 WeakPolarHBondContact CA-OE2 3.17Å; K50-E54 HydrophobicContact CB-CB 4.37Å; S51-E54 WeakPolarHBondContact CB-OE2 3.47Å; S51-E54 PolarHBondContact N-OE2 3.13Å; S51-E54 PolarHBondContact O-N 2.83Å; S51-E54 VanDerWaalsContact OG-CD 3.3Å; S51-E54 VanDerWaalsContact OG-CG 3.26Å; S51-E54 WeakPolarHBondContact OG-CG 2.96Å; S51-E54 PolarHBondContact OG-N 3.03Å; S51-E54 PolarHBondContact OG-OE2 2.81Å; E54-F56 VanDerWaalsContact C-N 3.34Å; E54-F56 PolarHBondContact O-N 3.47Å; E54-L57 PolarHBondContact O-N 3.37Å; E54-E58 WeakPolarHBondContact O-CG 3.4Å; E54-E58 PolarHBondContact O-N 3.31Å
55T88.4Confident83.9Confident12 Ų1267.2 Ų67.27%0.07435%0.35CS..Hα-helixtrans-67.5-33.8179.1-55.30000112.8F37 V41 S51 S53 E58 I59F37-T55 HydrophobicContact CE2-CG2 3.8Å; F37-T55 HydrophobicContact CZ-CG2 3.71Å; V41-T55 HydrophobicContact CB-CG2 4.37Å; V41-T55 HydrophobicContact CG1-CG2 3.97Å; V41-T55 HydrophobicContact CG2-CG2 3.41Å; V41-T55 VanDerWaalsContact CG2-CG2 3.41Å; S51-T55 PolarHBondContact O-N 2.87Å; S51-T55 PolarHBondContact O-OG1 3.41Å; S53-T55 VanDerWaalsContact C-N 3.3Å; S53-T55 PolarHBondContact O-N 3.05Å; T55-E58 PolarHBondContact O-N 3.19Å; T55-I59 HydrophobicContact CG2-CD1 4.35Å; T55-I59 WeakPolarHBondContact O-CG1 3.39Å; T55-I59 PolarHBondContact O-N 3.49Å; T55-I59 VanDerWaalsContact O-N 3.12Å
56F90Very high85.8Confident2 Ų264.2 Ų64.21%0.00933%0.334CS..Hα-helixtrans-66.4-40.7173.7-75-46.8000112.1F36 F37 T52 S53 E54 I59 F60 W93 L96 F97 L114F36-F56 HydrophobicContact CD1-CE1 4.23Å; F36-F56 HydrophobicContact CD1-CZ 4.15Å; F36-F56 HydrophobicContact CE1-CE1 4.09Å; F36-F56 HydrophobicContact CE1-CZ 4.4Å; F37-F56 HydrophobicContact CB-CZ 4.25Å; F37-F56 HydrophobicContact CD2-CD1 4.47Å; F37-F56 HydrophobicContact CD2-CD2 4.48Å; F37-F56 HydrophobicContact CD2-CE1 4.01Å; F37-F56 HydrophobicContact CD2-CE2 4.01Å; F37-F56 AromaticContact CD2-CZ 3.77Å; F37-F56 HydrophobicContact CD2-CZ 3.77Å; T52-F56 HydrophobicContact CG2-CD2 3.89Å; T52-F56 HydrophobicContact CG2-CE2 3.42Å; T52-F56 VanDerWaalsContact CG2-CE2 3.42Å; T52-F56 HydrophobicContact CG2-CZ 4.2Å; T52-F56 WeakPolarHBondContact O-CD2 2.9Å; T52-F56 WeakPolarHBondContact O-CG 3.48Å; T52-F56 PolarHBondContact O-N 2.94Å; S53-F56 PolarHBondContact O-N 3.33Å; S53-F56 VanDerWaalsContact O-N 3.15Å; E54-F56 VanDerWaalsContact C-N 3.34Å; E54-F56 PolarHBondContact O-N 3.47Å; F56-I59 PolarHBondContact O-N 2.85Å; F56-F60 PolarHBondContact O-N 3.39Å; F56-W93 HydrophobicContact CB-CH2 4.44Å; F56-W93 HydrophobicContact CD1-CE3 4.47Å; F56-W93 AromaticContact CD1-CH2 3.33Å; F56-W93 HydrophobicContact CD1-CH2 3.33Å; F56-W93 HydrophobicContact CD1-CZ2 4.16Å; F56-W93 AromaticContact CD1-CZ3 3.48Å; F56-W93 HydrophobicContact CD1-CZ3 3.48Å; F56-W93 VanDerWaalsContact CD1-CZ3 3.48Å; F56-W93 HydrophobicContact CE1-CE3 4.31Å; F56-W93 AromaticContact CE1-CH2 3.95Å; F56-W93 HydrophobicContact CE1-CH2 3.95Å; F56-W93 AromaticContact CE1-CZ3 3.58Å; F56-W93 HydrophobicContact CE1-CZ3 3.58Å; F56-W93 HydrophobicContact CG-CH2 4.31Å; F56-L96 HydrophobicContact CZ-CD2 4.22Å; F56-F97 HydrophobicContact CB-CZ 4.16Å; F56-F97 HydrophobicContact CD1-CE2 4.08Å; F56-F97 AromaticContact CD1-CZ 3.79Å; F56-F97 HydrophobicContact CD1-CZ 3.79Å; F56-F97 HydrophobicContact CD2-CE1 4.39Å; F56-F97 AromaticContact CD2-CZ 3.7Å; F56-F97 HydrophobicContact CD2-CZ 3.7Å; F56-F97 HydrophobicContact CE1-CE2 4.14Å; F56-F97 AromaticContact CE1-CZ 3.95Å; F56-F97 HydrophobicContact CE1-CZ 3.95Å; F56-F97 AromaticContact CE2-CZ 3.86Å; F56-F97 HydrophobicContact CE2-CZ 3.86Å; F56-F97 HydrophobicContact CG-CE2 4.36Å; F56-F97 AromaticContact CG-CZ 3.64Å; F56-F97 HydrophobicContact CG-CZ 3.64Å; F56-F97 HydrophobicContact CZ-CE2 4.48Å; F56-F97 AromaticContact CZ-CZ 3.98Å; F56-F97 HydrophobicContact CZ-CZ 3.98Å; F56-L114 HydrophobicContact CB-CD1 4.18Å; F56-L114 HydrophobicContact CD2-CD1 4.49Å; F56-L114 HydrophobicContact CD2-CD2 3.95Å; F56-L114 HydrophobicContact CE2-CD2 4.46Å
57L93.1Very high87.8Confident18 Ų1863.3 Ų63.39%0.09433%0.329CS..Hα-helixtrans-64.7-41.5174.8-70.6171.1000112S53 E54 I59 F60 F61 L107 I110 L116 V121S53-L57 WeakPolarHBondContact O-CG 3.3Å; S53-L57 PolarHBondContact O-N 3.04Å; E54-L57 PolarHBondContact O-N 3.37Å; L57-I59 VanDerWaalsContact C-N 3.31Å; L57-I59 PolarHBondContact O-N 2.87Å; L57-F60 WeakPolarHBondContact O-CB 3.38Å; L57-F60 PolarHBondContact O-N 2.99Å; L57-F60 VanDerWaalsContact O-N 3.13Å; L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CB-CE2 4.17Å; L57-F61 WeakPolarHBondContact O-CD2 3.39Å; L57-F61 WeakPolarHBondContact O-CG 3.36Å; L57-F61 PolarHBondContact O-N 3.44Å; L57-L107 HydrophobicContact CD2-CD1 3.8Å; L57-I110 HydrophobicContact CD2-CG2 4.03Å; L57-L116 HydrophobicContact CD1-CD1 3.68Å; L57-L116 HydrophobicContact CG-CD1 4.39Å; L57-V121 HydrophobicContact CD1-CG1 3.79Å; L57-V121 HydrophobicContact CD1-CG2 3.92Å; L57-V121 HydrophobicContact CD2-CG1 3.85Å; L57-V121 HydrophobicContact CG-CG1 4.38Å
58E92.8Very high89.8Confident89 Ų8958.8 Ų58.842%0.41631%0.31SS..Hα-helixtrans-60.1-40.9175.3-76.5178.4172.300112.4K50 E54 T55 A62K50-E58 WeakPolarHBondContact CD-OE1 3.37Å; K50-E58 WeakPolarHBondContact CE-OE1 3.15Å; K50-E58 IonicContact NZ-OE1 2.6Å; K50-E58 PolarHBondContact NZ-OE1 3.49Å; K50-E58 IonicContact NZ-OE2 2.81Å; K50-E58 PolarHBondContact NZ-OE2 3.17Å; E54-E58 WeakPolarHBondContact O-CG 3.4Å; E54-E58 PolarHBondContact O-N 3.31Å; T55-E58 PolarHBondContact O-N 3.19Å; E58-A62 WeakPolarHBondContact O-CB 3.06Å; E58-A62 PolarHBondContact O-N 2.93Å
59I92.4Very high91.4Very high13 Ų1361.3 Ų61.37%0.06732%0.317CS..Hα-helixtrans-64.6-44.4174.7-70166.7000110.2V40 V41 T55 F56 L57 A62 I63 Y79 W93V40-I59 HydrophobicContact CG1-CD1 3.62Å; V41-I59 HydrophobicContact CG2-CD1 4.32Å; T55-I59 HydrophobicContact CG2-CD1 4.35Å; T55-I59 WeakPolarHBondContact O-CG1 3.39Å; T55-I59 PolarHBondContact O-N 3.49Å; T55-I59 VanDerWaalsContact O-N 3.12Å; F56-I59 PolarHBondContact O-N 2.85Å; L57-I59 VanDerWaalsContact C-N 3.31Å; L57-I59 PolarHBondContact O-N 2.87Å; I59-A62 WeakPolarHBondContact O-CB 3.4Å; I59-A62 PolarHBondContact O-N 3.44Å; I59-I63 HydrophobicContact CG2-CD1 3.76Å; I59-I63 WeakPolarHBondContact O-CD1 3.29Å; I59-I63 WeakPolarHBondContact O-CG1 3.46Å; I59-I63 PolarHBondContact O-N 3.42Å; I59-Y79 HydrophobicContact CG2-CD1 4.26Å; I59-Y79 HydrophobicContact CG2-CE1 3.71Å; I59-W93 HydrophobicContact CB-CH2 3.77Å; I59-W93 HydrophobicContact CB-CZ2 4.28Å; I59-W93 HydrophobicContact CD1-CH2 3.77Å; I59-W93 HydrophobicContact CD1-CZ3 4Å; I59-W93 HydrophobicContact CG1-CH2 4.38Å; I59-W93 HydrophobicContact CG2-CH2 3.49Å; I59-W93 VanDerWaalsContact CG2-CH2 3.49Å; I59-W93 HydrophobicContact CG2-CZ2 3.81Å; I59-W93 HydrophobicContact CG2-CZ3 4.25Å
60F94.5Very high92.4Very high0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-58.1-52.9177.7177.9-93.9000111.7F56 L57 A62 I63 D64 I71 L107 I110F56-F60 PolarHBondContact O-N 3.39Å; L57-F60 WeakPolarHBondContact O-CB 3.38Å; L57-F60 PolarHBondContact O-N 2.99Å; L57-F60 VanDerWaalsContact O-N 3.13Å; F60-A62 PolarHBondContact O-N 3.01Å; F60-I63 WeakPolarHBondContact O-CA 3.26Å; F60-I63 WeakPolarHBondContact O-CB 3.32Å; F60-I63 PolarHBondContact O-N 3.03Å; F60-D64 HydrophobicContact CE1-CB 4.16Å; F60-D64 HydrophobicContact CZ-CB 4.42Å; F60-D64 PolarHBondContact O-N 3.12Å; F60-I71 HydrophobicContact CD2-CD1 3.81Å; F60-I71 HydrophobicContact CD2-CG1 4.02Å; F60-I71 HydrophobicContact CD2-CG2 3.99Å; F60-I71 HydrophobicContact CE2-CB 4.31Å; F60-I71 HydrophobicContact CE2-CD1 4.2Å; F60-I71 HydrophobicContact CE2-CG1 3.87Å; F60-I71 HydrophobicContact CE2-CG2 3.73Å; F60-I71 HydrophobicContact CZ-CG2 4.22Å; F60-L107 HydrophobicContact CD1-CD1 4.08Å; F60-L107 HydrophobicContact CE1-CB 3.85Å; F60-L107 HydrophobicContact CE1-CD1 4.01Å; F60-L107 HydrophobicContact CE1-CG 4.43Å; F60-L107 HydrophobicContact CZ-CB 3.92Å; F60-I110 HydrophobicContact CB-CD1 3.84Å; F60-I110 HydrophobicContact CD2-CD1 3.11Å; F60-I110 HydrophobicContact CE2-CD1 3.73Å; F60-I110 HydrophobicContact CG-CD1 3.59Å
61F96.5Very high93Very high77 Ų7754 Ų5434%0.33827%0.274SS..Hα-helixtrans-67.7-23.3178.1-62.8-45.6000113.4L57 I63 L107 V121L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CB-CE2 4.17Å; L57-F61 WeakPolarHBondContact O-CD2 3.39Å; L57-F61 WeakPolarHBondContact O-CG 3.36Å; L57-F61 PolarHBondContact O-N 3.44Å; F61-I63 PolarHBondContact O-N 3.18Å; F61-L107 HydrophobicContact CE1-CD1 4.14Å; F61-L107 HydrophobicContact CE1-CD2 4.19Å; F61-L107 HydrophobicContact CZ-CD1 3.98Å; F61-L107 HydrophobicContact CZ-CD2 4.24Å; F61-V121 HydrophobicContact CE2-CG1 3.91Å; F61-V121 HydrophobicContact CZ-CG1 3.7Å
62A95.8Very high93.4Very high30 Ų3052.9 Ų52.925%0.24827%0.266CS..Hα-helixtrans-70.2-23.6170.100000112.5E58 I59 F60 K65 Y79E58-A62 WeakPolarHBondContact O-CB 3.06Å; E58-A62 PolarHBondContact O-N 2.93Å; I59-A62 WeakPolarHBondContact O-CB 3.4Å; I59-A62 PolarHBondContact O-N 3.44Å; F60-A62 PolarHBondContact O-N 3.01Å; A62-K65 WeakPolarHBondContact O-CE 3.3Å; A62-K65 PolarHBondContact O-NZ 3.25Å; A62-Y79 HydrophobicContact CB-CD2 4.47Å; A62-Y79 HydrophobicContact CB-CE2 3.73Å
63I95.8Very high93.8Very high9 Ų953.1 Ų53.15%0.04626%0.262CS..Hα-helixtrans-93.3-45180-62.1162.6000111.4I59 F60 F61 K65 I71 Q75 L76 Y79I59-I63 HydrophobicContact CG2-CD1 3.76Å; I59-I63 WeakPolarHBondContact O-CD1 3.29Å; I59-I63 WeakPolarHBondContact O-CG1 3.46Å; I59-I63 PolarHBondContact O-N 3.42Å; F60-I63 WeakPolarHBondContact O-CA 3.26Å; F60-I63 WeakPolarHBondContact O-CB 3.32Å; F60-I63 PolarHBondContact O-N 3.03Å; F61-I63 PolarHBondContact O-N 3.18Å; I63-K65 PolarHBondContact O-N 3.05Å; I63-I71 HydrophobicContact CB-CD1 4.38Å; I63-I71 HydrophobicContact CB-CG2 3.94Å; I63-I71 HydrophobicContact CD1-CD1 3.93Å; I63-I71 HydrophobicContact CG2-CB 3.83Å; I63-I71 HydrophobicContact CG2-CD1 4.1Å; I63-I71 HydrophobicContact CG2-CG2 3.58Å; I63-Q75 HydrophobicContact CG2-CB 3.57Å; I63-L76 HydrophobicContact CD1-CD1 3.59Å; I63-Y79 HydrophobicContact CD1-CD1 3.81Å; I63-Y79 HydrophobicContact CD1-CE1 4.48Å; I63-Y79 HydrophobicContact CD1-CG 3.99Å; I63-Y79 HydrophobicContact CG1-CD1 3.8Å; I63-Y79 HydrophobicContact CG1-CD2 3.82Å; I63-Y79 HydrophobicContact CG1-CE2 4.47Å; I63-Y79 HydrophobicContact CG1-CG 3.46Å; I63-Y79 VanDerWaalsContact CG1-CG 3.46Å
64D96.8Very high94.1Very high2 Ų257.1 Ų57.11%0.01128%0.281CS..  trans-71.887.2176.3178.114.2000110.2F60 H67 D68 E69 I71F60-D64 HydrophobicContact CE1-CB 4.16Å; F60-D64 HydrophobicContact CZ-CB 4.42Å; F60-D64 PolarHBondContact O-N 3.12Å; D64-H67 VanDerWaalsContact OD1-CA 3.24Å; D64-H67 WeakPolarHBondContact OD1-CA 3.17Å; D64-H67 PolarHBondContact OD1-N 2.88Å; D64-H67 WeakPolarHBondContact OD2-CA 3.31Å; D64-D68 PolarHBondContact OD1-N 2.73Å; D64-D68 VanDerWaalsContact OD1-N 3.16Å; D64-E69 WeakPolarHBondContact OD2-CA 3.35Å; D64-E69 PolarHBondContact OD2-N 3.2Å; D64-I71 HydrophobicContact CB-CG2 3.77Å
65K95.8Very high94.3Very high148 Ų14854.9 Ų54.964%0.64327%0.27SS*.SBendtrans-87.8-22.4-176.1-67-50-166.3-163.20113.4A62 I63A62-K65 WeakPolarHBondContact O-CE 3.3Å; A62-K65 PolarHBondContact O-NZ 3.25Å; I63-K65 PolarHBondContact O-N 3.05Å
66D96.5Very high94.5Very high99 Ų9954.3 Ų54.353%0.52927%0.267SS..SBendtrans-88.7-9.6176.938.8-14.9000112.8D68D66-D68 PolarHBondContact O-N 3.47Å
67H95.8Very high94.7Very high147 Ų14757.9 Ų57.968%0.68128%0.282SS*.  trans59.335.8179.3-57.7-70.8000111.7D64 E69D64-H67 VanDerWaalsContact OD1-CA 3.24Å; D64-H67 WeakPolarHBondContact OD1-CA 3.17Å; D64-H67 PolarHBondContact OD1-N 2.88Å; D64-H67 WeakPolarHBondContact OD2-CA 3.31Å; H67-E69 VanDerWaalsContact C-N 3.26Å
68D96.8Very high94.8Very high78 Ų7865.4 Ų65.442%0.41731%0.309SS..SBendtrans-88.51.9176.279.1-11.6000112.4D64 D66 E70D64-D68 PolarHBondContact OD1-N 2.73Å; D64-D68 VanDerWaalsContact OD1-N 3.16Å; D66-D68 PolarHBondContact O-N 3.47Å; D68-E70 PolarHBondContact O-N 3.36Å; D68-E70 WeakPolarHBondContact OD1-CA 3.36Å; D68-E70 PolarHBondContact OD1-N 2.89Å
69E96.1Very high94.8Very high103 Ų10363.9 Ų63.948%0.48130%0.3SS..SBendtrans6222.1-178.2-57179.6179.500113.4D64 H67 S106 L107D64-E69 WeakPolarHBondContact OD2-CA 3.35Å; D64-E69 PolarHBondContact OD2-N 3.2Å; H67-E69 VanDerWaalsContact C-N 3.26Å; E69-S106 CarbonylContact O-C 3.52Å; E69-S106 VanDerWaalsContact O-CA 3.27Å; E69-S106 WeakPolarHBondContact O-CA 3.45Å; E69-L107 HydrophobicContact CB-CB 3.96Å; E69-L107 HydrophobicContact CG-CD2 4.16Å; E69-L107 PolarHBondContact O-N 3.27Å
70E95.1Very high94.8Very high67 Ų6763.3 Ų63.331%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-130.8141.7172.2-64.6-164.1155.900112.3D68 R104D68-E70 PolarHBondContact O-N 3.36Å; D68-E70 WeakPolarHBondContact OD1-CA 3.36Å; D68-E70 PolarHBondContact OD1-N 2.89Å; E70-R104 VanDerWaalsContact OE2-CD 3.3Å; E70-R104 WeakPolarHBondContact OE2-CD 2.96Å; E70-R104 IonicContact OE2-CZ 3.62Å; E70-R104 IonicContact OE2-NE 3.79Å; E70-R104 IonicContact OE2-NH1 2.82Å; E70-R104 PolarHBondContact OE2-NH1 3.39Å
71I94.9Very high94.7Very high0 Ų067.7 Ų67.70%032%0.318CS..EExtended strand (participates in β ladder)trans-121.6134.7167.368.1173.5000110.6F60 I63 D64 R104 L105F60-I71 HydrophobicContact CD2-CD1 3.81Å; F60-I71 HydrophobicContact CD2-CG1 4.02Å; F60-I71 HydrophobicContact CD2-CG2 3.99Å; F60-I71 HydrophobicContact CE2-CB 4.31Å; F60-I71 HydrophobicContact CE2-CD1 4.2Å; F60-I71 HydrophobicContact CE2-CG1 3.87Å; F60-I71 HydrophobicContact CE2-CG2 3.73Å; F60-I71 HydrophobicContact CZ-CG2 4.22Å; I63-I71 HydrophobicContact CB-CD1 4.38Å; I63-I71 HydrophobicContact CB-CG2 3.94Å; I63-I71 HydrophobicContact CD1-CD1 3.93Å; I63-I71 HydrophobicContact CG2-CB 3.83Å; I63-I71 HydrophobicContact CG2-CD1 4.1Å; I63-I71 HydrophobicContact CG2-CG2 3.58Å; D64-I71 HydrophobicContact CB-CG2 3.77Å; I71-R104 CarbonylContact O-C 3.55Å; I71-R104 WeakPolarHBondContact O-CA 3.44Å; I71-L105 HydrophobicContact CD1-CD2 4.3Å; I71-L105 HydrophobicContact CG1-CB 4.01Å; I71-L105 HydrophobicContact CG1-CD2 4.45Å; I71-L105 PolarHBondContact N-O 3.12Å; I71-L105 PolarHBondContact O-N 3.38Å
72T93.7Very high94.5Very high31 Ų3169.1 Ų69.119%0.1933%0.333CS..EExtended strand (participates in β ladder)trans-82.2156.517164.70000111N74 Q75 L76 N103 R104T72-N74 PolarHBondContact O-N 2.84Å; T72-N74 VanDerWaalsContact O-N 3.12Å; T72-Q75 PolarHBondContact O-N 3.11Å; T72-Q75 PolarHBondContact OG1-N 3.48Å; T72-Q75 PolarHBondContact OG1-OE1 3.46Å; T72-L76 PolarHBondContact O-N 3.28Å; T72-N103 WeakPolarHBondContact CA-O 3.26Å; T72-R104 HydrophobicContact CG2-CG 4.36Å
73K91.7Very high94.2Very high62 Ų6270.4 Ų70.427%0.2734%0.336SS..Hα-helixtrans-52.9-33.2170.6-172.7170.4-178.6166.40112.8K77 I90 E91 M94 N103K73-K77 VanDerWaalsContact O-CB 3.31Å; K73-K77 WeakPolarHBondContact O-CB 3.27Å; K73-K77 PolarHBondContact O-N 3.29Å; K73-I90 HydrophobicContact CG-CG2 4.11Å; K73-E91 VanDerWaalsContact CE-OE1 3.32Å; K73-E91 WeakPolarHBondContact CE-OE1 3.47Å; K73-E91 IonicContact NZ-OE1 2.62Å; K73-E91 PolarHBondContact NZ-OE1 3.29Å; K73-E91 IonicContact NZ-OE2 3.11Å; K73-E91 PolarHBondContact NZ-OE2 2.86Å; K73-E91 VanDerWaalsContact NZ-OE2 3.11Å; K73-M94 HydrophobicContact CB-CE 4.44Å; K73-N103 PolarHBondContact N-O 2.97Å
74N93.4Very high93.9Very high115 Ų11577.6 Ų77.662%0.61537%0.369SS*.Hα-helixtrans-71.3-40.2177.6-73.8-12000112.7T72 K77 R78T72-N74 PolarHBondContact O-N 2.84Å; T72-N74 VanDerWaalsContact O-N 3.12Å; N74-K77 PolarHBondContact O-N 3.42Å; N74-R78 WeakPolarHBondContact O-CG 3.37Å; N74-R78 PolarHBondContact O-N 2.87Å
75Q94.9Very high93.4Very high51 Ų5180.4 Ų80.424%0.23838%0.379CS..Hα-helixtrans-64.3-45.3174.5-75.9157.6-65.300110.7I63 T72 K77 R78 Y79I63-Q75 HydrophobicContact CG2-CB 3.57Å; T72-Q75 PolarHBondContact O-N 3.11Å; T72-Q75 PolarHBondContact OG1-N 3.48Å; T72-Q75 PolarHBondContact OG1-OE1 3.46Å; Q75-K77 VanDerWaalsContact C-N 3.34Å; Q75-K77 PolarHBondContact O-N 3.29Å; Q75-R78 PolarHBondContact O-N 3.36Å; Q75-Y79 PolarHBondContact O-N 3.22Å
76L92.9Very high93Very high0 Ų078 Ų780%037%0.373CS..Hα-helixtrans-58.4-45.5174.817862.2000111.8I63 T72 Y79 F80 I90 W93 M94I63-L76 HydrophobicContact CD1-CD1 3.59Å; T72-L76 PolarHBondContact O-N 3.28Å; L76-Y79 PolarHBondContact O-N 3.07Å; L76-F80 HydrophobicContact CD1-CD1 4.29Å; L76-F80 HydrophobicContact CD1-CE1 3.82Å; L76-F80 HydrophobicContact CD1-CE2 4.22Å; L76-F80 HydrophobicContact CD1-CZ 3.78Å; L76-F80 PolarHBondContact O-N 3.43Å; L76-I90 HydrophobicContact CD2-CG2 3.87Å; L76-I90 HydrophobicContact CG-CG2 4.21Å; L76-W93 HydrophobicContact CD1-CG 4.29Å; L76-W93 HydrophobicContact CD2-CB 4.01Å; L76-W93 HydrophobicContact CD2-CG 3.96Å; L76-M94 HydrophobicContact CD2-CG 4.1Å; L76-M94 HydrophobicContact CD2-SD 3.71Å
77K93.1Very high92.4Very high76 Ų7676.9 Ų76.933%0.3337%0.367SS..Hα-helixtrans-57.2-52176-178.4168.6-174.5-173.40111.9K73 N74 Q75 Y79 F80 E81 D87 I90K73-K77 VanDerWaalsContact O-CB 3.31Å; K73-K77 WeakPolarHBondContact O-CB 3.27Å; K73-K77 PolarHBondContact O-N 3.29Å; N74-K77 PolarHBondContact O-N 3.42Å; Q75-K77 VanDerWaalsContact C-N 3.34Å; Q75-K77 PolarHBondContact O-N 3.29Å; K77-Y79 VanDerWaalsContact C-N 3.26Å; K77-Y79 PolarHBondContact O-N 2.88Å; K77-F80 PolarHBondContact O-N 2.94Å; K77-F80 VanDerWaalsContact O-N 3.11Å; K77-E81 WeakPolarHBondContact CE-OE1 3.46Å; K77-E81 HydrophobicContact CG-CG 4.26Å; K77-E81 IonicContact NZ-OE1 3.75Å; K77-E81 WeakPolarHBondContact O-CG 3.5Å; K77-E81 PolarHBondContact O-N 3.09Å; K77-D87 IonicContact NZ-OD2 3.83Å; K77-I90 HydrophobicContact CB-CD1 3.73Å; K77-I90 HydrophobicContact CD-CD1 4.27Å; K77-I90 HydrophobicContact CG-CD1 3.65Å
78R94.8Very high91.9Very high176 Ų17676.6 Ų76.666%0.66437%0.366SS*.Hα-helixtrans-57.9-40.1178.9-73.7178.8-173.7-158.22.8112.1N74 Q75 T82N74-R78 WeakPolarHBondContact O-CG 3.37Å; N74-R78 PolarHBondContact O-N 2.87Å; Q75-R78 PolarHBondContact O-N 3.36Å; R78-T82 VanDerWaalsContact O-CB 3.29Å; R78-T82 WeakPolarHBondContact O-CB 3.39Å; R78-T82 PolarHBondContact O-N 2.87Å; R78-T82 PolarHBondContact O-OG1 2.85Å
79Y93.9Very high91.3Very high58 Ų5873.3 Ų73.323%0.22735%0.348CS..Hα-helixtrans-64-44.6176.4178.1-97.4000111.6I59 A62 I63 Q75 L76 K77 T82 N83I59-Y79 HydrophobicContact CG2-CD1 4.26Å; I59-Y79 HydrophobicContact CG2-CE1 3.71Å; A62-Y79 HydrophobicContact CB-CD2 4.47Å; A62-Y79 HydrophobicContact CB-CE2 3.73Å; I63-Y79 HydrophobicContact CD1-CD1 3.81Å; I63-Y79 HydrophobicContact CD1-CE1 4.48Å; I63-Y79 HydrophobicContact CD1-CG 3.99Å; I63-Y79 HydrophobicContact CG1-CD1 3.8Å; I63-Y79 HydrophobicContact CG1-CD2 3.82Å; I63-Y79 HydrophobicContact CG1-CE2 4.47Å; I63-Y79 HydrophobicContact CG1-CG 3.46Å; I63-Y79 VanDerWaalsContact CG1-CG 3.46Å; Q75-Y79 PolarHBondContact O-N 3.22Å; L76-Y79 PolarHBondContact O-N 3.07Å; K77-Y79 VanDerWaalsContact C-N 3.26Å; K77-Y79 PolarHBondContact O-N 2.88Å; Y79-T82 PolarHBondContact O-N 3.31Å; Y79-N83 WeakPolarHBondContact CD2-ND2 3.42Å; Y79-N83 VanDerWaalsContact CE2-ND2 3.35Å; Y79-N83 WeakPolarHBondContact CE2-ND2 3.49Å; Y79-N83 WeakPolarHBondContact O-CB 3.41Å; Y79-N83 PolarHBondContact O-N 3.47Å; Y79-N83 PolarHBondContact O-ND2 2.87Å
80F91.7Very high91Very high1 Ų168.7 Ų68.70%0.00433%0.327CS..Hα-helixtrans-67.9-40.3177.5-8010.8000113V40 L76 K77 N83 H84 R85 L89 I90 W93V40-F80 HydrophobicContact CG1-CE1 4.42Å; V40-F80 HydrophobicContact CG1-CZ 4.21Å; L76-F80 HydrophobicContact CD1-CD1 4.29Å; L76-F80 HydrophobicContact CD1-CE1 3.82Å; L76-F80 HydrophobicContact CD1-CE2 4.22Å; L76-F80 HydrophobicContact CD1-CZ 3.78Å; L76-F80 PolarHBondContact O-N 3.43Å; K77-F80 PolarHBondContact O-N 2.94Å; K77-F80 VanDerWaalsContact O-N 3.11Å; F80-N83 CarbonylContact O-C 3.43Å; F80-N83 PolarHBondContact O-N 2.82Å; F80-H84 PolarHBondContact O-N 3.18Å; F80-H84 VanDerWaalsContact O-N 3.1Å; F80-R85 HydrophobicContact CB-CB 3.79Å; F80-R85 HydrophobicContact CD1-CB 4.38Å; F80-R85 HydrophobicContact CD1-CG 4.42Å; F80-R85 HydrophobicContact CD2-CB 4.31Å; F80-R85 HydrophobicContact CG-CB 3.91Å; F80-R85 HydrophobicContact CG-CG 4.45Å; F80-R85 WeakPolarHBondContact O-CB 3.43Å; F80-R85 PolarHBondContact O-N 3.32Å; F80-L89 HydrophobicContact CD2-CB 3.83Å; F80-L89 HydrophobicContact CE2-CB 3.52Å; F80-I90 HydrophobicContact CB-CG1 4.41Å; F80-I90 HydrophobicContact CD2-CG1 3.64Å; F80-I90 HydrophobicContact CE2-CG1 4.31Å; F80-I90 HydrophobicContact CG-CG1 4.39Å; F80-W93 HydrophobicContact CZ-CD2 4.33Å; F80-W93 AromaticContact CZ-CE3 3.95Å; F80-W93 HydrophobicContact CZ-CE3 3.95Å; F80-W93 HydrophobicContact CZ-CZ3 4.48Å
81E92.2Very high90.5Very high92 Ų9269.7 Ų69.743%0.4333%0.332SS..Hα-helixtrans-58.6-49172.9-72.8175.4154.300111.3K77 N83 H84K77-E81 WeakPolarHBondContact CE-OE1 3.46Å; K77-E81 HydrophobicContact CG-CG 4.26Å; K77-E81 IonicContact NZ-OE1 3.75Å; K77-E81 WeakPolarHBondContact O-CG 3.5Å; K77-E81 PolarHBondContact O-N 3.09Å; E81-N83 PolarHBondContact O-N 3.1Å; E81-H84 PolarHBondContact O-N 3.25Å; E81-H84 VanDerWaalsContact O-N 3.09Å
82T92.9Very high90Very high106 Ų10673.4 Ų73.465%0.6535%0.351SS*.Hα-helixtrans-61.8-33.7179.1-57.70000111.9R78 Y79 H84R78-T82 VanDerWaalsContact O-CB 3.29Å; R78-T82 WeakPolarHBondContact O-CB 3.39Å; R78-T82 PolarHBondContact O-N 2.87Å; R78-T82 PolarHBondContact O-OG1 2.85Å; Y79-T82 PolarHBondContact O-N 3.31Å; T82-H84 VanDerWaalsContact C-N 3.35Å
83N90.1Very high89.7Confident58 Ų5871.9 Ų71.931%0.3134%0.342SS..THydrogen-bonded Turntrans-93.514.2179.3-71.5-82.7000113Y79 F80 E81 R85Y79-N83 WeakPolarHBondContact CD2-ND2 3.42Å; Y79-N83 VanDerWaalsContact CE2-ND2 3.35Å; Y79-N83 WeakPolarHBondContact CE2-ND2 3.49Å; Y79-N83 WeakPolarHBondContact O-CB 3.41Å; Y79-N83 PolarHBondContact O-N 3.47Å; Y79-N83 PolarHBondContact O-ND2 2.87Å; F80-N83 CarbonylContact O-C 3.43Å; F80-N83 PolarHBondContact O-N 2.82Å; E81-N83 PolarHBondContact O-N 3.1Å; N83-R85 VanDerWaalsContact C-N 3.32Å; N83-R85 HydrophobicContact CB-CG 4.17Å; N83-R85 PolarHBondContact O-N 3.07Å; N83-R85 PolarHBondContact O-NH1 3.39Å
84H88.9Confident89.4Confident159 Ų15969.1 Ų69.174%0.73633%0.33SS*.THydrogen-bonded Turntrans49.451.5-179.5-53.3-59.4000112.7K42 F80 E81 T82K42-H84 PolarHBondContact NZ-O 2.95Å; F80-H84 PolarHBondContact O-N 3.18Å; F80-H84 VanDerWaalsContact O-N 3.1Å; E81-H84 PolarHBondContact O-N 3.25Å; E81-H84 VanDerWaalsContact O-N 3.09Å; T82-H84 VanDerWaalsContact C-N 3.35Å
85R86.3Confident89Confident61 Ų6169.7 Ų69.723%0.2333%0.333CS..  trans-107.6153.6175.3-62.6-54-167.1-91.52.7109.8V40 F80 N83 L89V40-R85 PolarHBondContact O-NE 3.13Å; V40-R85 PolarHBondContact O-NH2 3.45Å; F80-R85 HydrophobicContact CB-CB 3.79Å; F80-R85 HydrophobicContact CD1-CB 4.38Å; F80-R85 HydrophobicContact CD1-CG 4.42Å; F80-R85 HydrophobicContact CD2-CB 4.31Å; F80-R85 HydrophobicContact CG-CB 3.91Å; F80-R85 HydrophobicContact CG-CG 4.45Å; F80-R85 WeakPolarHBondContact O-CB 3.43Å; F80-R85 PolarHBondContact O-N 3.32Å; N83-R85 VanDerWaalsContact C-N 3.32Å; N83-R85 HydrophobicContact CB-CG 4.17Å; N83-R85 PolarHBondContact O-N 3.07Å; N83-R85 PolarHBondContact O-NH1 3.39Å; R85-L89 HydrophobicContact CB-CD1 4.17Å
86D86.6Confident88.4Confident97 Ų9768.8 Ų68.852%0.51933%0.33SS..  trans-74135.7-179-168-36.7000110.9H88 L89D86-H88 PolarHBondContact O-N 3.3Å; D86-H88 WeakPolarHBondContact OD1-CB 3.21Å; D86-H88 IonicContact OD1-CD2 3.32Å; D86-H88 PolarHBondContact OD1-CD2 3.02Å; D86-H88 IonicContact OD1-CG 3.75Å; D86-H88 PolarHBondContact OD1-N 2.87Å; D86-L89 HydrophobicContact CB-CG 4.43Å; D86-L89 VanDerWaalsContact O-CB 3.26Å; D86-L89 WeakPolarHBondContact O-CB 3.14Å; D86-L89 PolarHBondContact O-N 2.77Å
87D84.6Confident87.9Confident76 Ų7668.8 Ų68.841%0.40633%0.33SS..THydrogen-bonded Turntrans-55.4-30.5176-81.79.2000112.4K77 L89 I90K77-D87 IonicContact NZ-OD2 3.83Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.16Å; D87-I90 HydrophobicContact CB-CD1 4.24Å; D87-I90 VanDerWaalsContact O-CB 3.23Å; D87-I90 WeakPolarHBondContact O-CB 3.42Å; D87-I90 WeakPolarHBondContact O-CG1 3.37Å; D87-I90 PolarHBondContact O-N 2.96Å
88H85.3Confident86.9Confident141 Ų14166.6 Ų66.665%0.65332%0.321SS*.Hα-helixtrans-61-23.3175-77.3-74.4000113.4D86 I90 N92D86-H88 PolarHBondContact O-N 3.3Å; D86-H88 WeakPolarHBondContact OD1-CB 3.21Å; D86-H88 IonicContact OD1-CD2 3.32Å; D86-H88 PolarHBondContact OD1-CD2 3.02Å; D86-H88 IonicContact OD1-CG 3.75Å; D86-H88 PolarHBondContact OD1-N 2.87Å; H88-I90 VanDerWaalsContact C-N 3.26Å; H88-I90 PolarHBondContact O-N 3.25Å; H88-N92 PolarHBondContact O-N 3.11Å; H88-N92 PolarHBondContact O-ND2 3.01Å
89L85Confident85.5Confident9 Ų962.6 Ų62.65%0.04731%0.312CS..Hα-helixtrans-70-25.6174.6-63.8176.1000112.2F36 M39 V40 F80 R85 D86 D87 N92 W93F36-L89 HydrophobicContact CD2-CD2 4.33Å; F36-L89 HydrophobicContact CE2-CD2 3.98Å; M39-L89 HydrophobicContact CB-CD2 3.94Å; M39-L89 HydrophobicContact CE-CD2 3.89Å; M39-L89 HydrophobicContact SD-CD2 4.49Å; V40-L89 HydrophobicContact CG2-CD1 4.44Å; V40-L89 HydrophobicContact CG2-CD2 4.36Å; F80-L89 HydrophobicContact CD2-CB 3.83Å; F80-L89 HydrophobicContact CE2-CB 3.52Å; R85-L89 HydrophobicContact CB-CD1 4.17Å; D86-L89 HydrophobicContact CB-CG 4.43Å; D86-L89 VanDerWaalsContact O-CB 3.26Å; D86-L89 WeakPolarHBondContact O-CB 3.14Å; D86-L89 PolarHBondContact O-N 2.77Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.16Å; L89-N92 PolarHBondContact O-N 3.31Å; L89-W93 VanDerWaalsContact O-CB 3.32Å; L89-W93 WeakPolarHBondContact O-CB 3.47Å; L89-W93 PolarHBondContact O-N 2.92Å
90I88.2Confident84.2Confident7 Ų765.9 Ų65.94%0.03633%0.328CS..Hα-helixtrans-63.8-52.4179.5-56.7167.4000109.2K73 L76 K77 F80 D87 H88 N92 W93 M94K73-I90 HydrophobicContact CG-CG2 4.11Å; L76-I90 HydrophobicContact CD2-CG2 3.87Å; L76-I90 HydrophobicContact CG-CG2 4.21Å; K77-I90 HydrophobicContact CB-CD1 3.73Å; K77-I90 HydrophobicContact CD-CD1 4.27Å; K77-I90 HydrophobicContact CG-CD1 3.65Å; F80-I90 HydrophobicContact CB-CG1 4.41Å; F80-I90 HydrophobicContact CD2-CG1 3.64Å; F80-I90 HydrophobicContact CE2-CG1 4.31Å; F80-I90 HydrophobicContact CG-CG1 4.39Å; D87-I90 HydrophobicContact CB-CD1 4.24Å; D87-I90 VanDerWaalsContact O-CB 3.23Å; D87-I90 WeakPolarHBondContact O-CB 3.42Å; D87-I90 WeakPolarHBondContact O-CG1 3.37Å; D87-I90 PolarHBondContact O-N 2.96Å; H88-I90 VanDerWaalsContact C-N 3.26Å; H88-I90 PolarHBondContact O-N 3.25Å; I90-N92 VanDerWaalsContact C-N 3.29Å; I90-N92 PolarHBondContact O-N 3.43Å; I90-W93 WeakPolarHBondContact O-CB 3.43Å; I90-W93 PolarHBondContact O-N 3.29Å; I90-W93 VanDerWaalsContact O-N 3.17Å; I90-M94 HydrophobicContact CG2-CG 4.47Å; I90-M94 VanDerWaalsContact O-CG 3.3Å; I90-M94 WeakPolarHBondContact O-CG 3.43Å; I90-M94 PolarHBondContact O-N 3.02Å
91E84.8Confident83.5Confident88 Ų8873.8 Ų73.841%0.41137%0.37SS..Hα-helixtrans-61.9-39.6179.2-60.8-59.416500111.5K73 M94 N95K73-E91 VanDerWaalsContact CE-OE1 3.32Å; K73-E91 WeakPolarHBondContact CE-OE1 3.47Å; K73-E91 IonicContact NZ-OE1 2.62Å; K73-E91 PolarHBondContact NZ-OE1 3.29Å; K73-E91 IonicContact NZ-OE2 3.11Å; K73-E91 PolarHBondContact NZ-OE2 2.86Å; K73-E91 VanDerWaalsContact NZ-OE2 3.11Å; E91-M94 PolarHBondContact O-N 3.01Å; E91-N95 VanDerWaalsContact O-CB 3.23Å; E91-N95 WeakPolarHBondContact O-CB 3.29Å; E91-N95 PolarHBondContact O-N 2.9Å; E91-N95 PolarHBondContact O-ND2 3.29Å
92N85.4Confident83Confident77 Ų7772.3 Ų72.341%0.41237%0.368SS..Hα-helixtrans-65.5-38.7176.7-73.3-23.3000112.3F36 H88 L89 I90 L96F36-N92 HydrophobicContact CD2-CB 3.86Å; F36-N92 HydrophobicContact CE2-CB 3.37Å; F36-N92 HydrophobicContact CZ-CB 4.17Å; H88-N92 PolarHBondContact O-N 3.11Å; H88-N92 PolarHBondContact O-ND2 3.01Å; L89-N92 PolarHBondContact O-N 3.31Å; I90-N92 VanDerWaalsContact C-N 3.29Å; I90-N92 PolarHBondContact O-N 3.43Å; N92-L96 VanDerWaalsContact O-CB 3.23Å; N92-L96 WeakPolarHBondContact O-CB 3.46Å; N92-L96 PolarHBondContact O-N 3.15Å
93W86.9Confident82.7Confident0 Ų073 Ų730%037%0.367CS..Hα-helixtrans-64.8-48.6175.8-169.9-80000111.4F36 V40 F56 I59 L76 F80 L89 I90 L96 F97F36-W93 HydrophobicContact CE1-CD2 4.38Å; F36-W93 AromaticContact CE1-CE3 3.6Å; F36-W93 HydrophobicContact CE1-CE3 3.6Å; F36-W93 HydrophobicContact CE1-CZ3 4.23Å; F36-W93 HydrophobicContact CZ-CB 3.87Å; F36-W93 HydrophobicContact CZ-CD2 4.33Å; F36-W93 AromaticContact CZ-CE3 3.66Å; F36-W93 HydrophobicContact CZ-CE3 3.66Å; F36-W93 HydrophobicContact CZ-CG 4.48Å; V40-W93 HydrophobicContact CB-CZ3 4.35Å; V40-W93 HydrophobicContact CG1-CE3 4.13Å; V40-W93 HydrophobicContact CG1-CZ3 3.57Å; V40-W93 HydrophobicContact CG2-CE3 4.06Å; V40-W93 HydrophobicContact CG2-CZ3 4.18Å; F56-W93 HydrophobicContact CB-CH2 4.44Å; F56-W93 HydrophobicContact CD1-CE3 4.47Å; F56-W93 AromaticContact CD1-CH2 3.33Å; F56-W93 HydrophobicContact CD1-CH2 3.33Å; F56-W93 HydrophobicContact CD1-CZ2 4.16Å; F56-W93 AromaticContact CD1-CZ3 3.48Å; F56-W93 HydrophobicContact CD1-CZ3 3.48Å; F56-W93 VanDerWaalsContact CD1-CZ3 3.48Å; F56-W93 HydrophobicContact CE1-CE3 4.31Å; F56-W93 AromaticContact CE1-CH2 3.95Å; F56-W93 HydrophobicContact CE1-CH2 3.95Å; F56-W93 AromaticContact CE1-CZ3 3.58Å; F56-W93 HydrophobicContact CE1-CZ3 3.58Å; F56-W93 HydrophobicContact CG-CH2 4.31Å; I59-W93 HydrophobicContact CB-CH2 3.77Å; I59-W93 HydrophobicContact CB-CZ2 4.28Å; I59-W93 HydrophobicContact CD1-CH2 3.77Å; I59-W93 HydrophobicContact CD1-CZ3 4Å; I59-W93 HydrophobicContact CG1-CH2 4.38Å; I59-W93 HydrophobicContact CG2-CH2 3.49Å; I59-W93 VanDerWaalsContact CG2-CH2 3.49Å; I59-W93 HydrophobicContact CG2-CZ2 3.81Å; I59-W93 HydrophobicContact CG2-CZ3 4.25Å; L76-W93 HydrophobicContact CD1-CG 4.29Å; L76-W93 HydrophobicContact CD2-CB 4.01Å; L76-W93 HydrophobicContact CD2-CG 3.96Å; F80-W93 HydrophobicContact CZ-CD2 4.33Å; F80-W93 AromaticContact CZ-CE3 3.95Å; F80-W93 HydrophobicContact CZ-CE3 3.95Å; F80-W93 HydrophobicContact CZ-CZ3 4.48Å; L89-W93 VanDerWaalsContact O-CB 3.32Å; L89-W93 WeakPolarHBondContact O-CB 3.47Å; L89-W93 PolarHBondContact O-N 2.92Å; I90-W93 WeakPolarHBondContact O-CB 3.43Å; I90-W93 PolarHBondContact O-N 3.29Å; I90-W93 VanDerWaalsContact O-N 3.17Å; W93-L96 PolarHBondContact O-N 3.18Å; W93-F97 AromaticContact CD1-CD2 3.81Å; W93-F97 HydrophobicContact CD2-CD2 4.03Å; W93-F97 AromaticContact CD2-CE2 3.84Å; W93-F97 HydrophobicContact CD2-CE2 3.84Å; W93-F97 AromaticContact CE2-CD2 3.73Å; W93-F97 AromaticContact CE2-CE2 3.61Å; W93-F97 HydrophobicContact CE3-CE2 4.22Å; W93-F97 HydrophobicContact CG-CD2 4.1Å; W93-F97 HydrophobicContact CG-CE2 4.35Å; W93-F97 HydrophobicContact CH2-CE2 4.29Å; W93-F97 HydrophobicContact CZ2-CD2 4.33Å; W93-F97 AromaticContact CZ2-CE2 3.86Å; W93-F97 HydrophobicContact CZ2-CE2 3.86Å; W93-F97 HydrophobicContact CZ3-CE2 4.42Å; W93-F97 AromaticContact NE1-CD2 3.56Å; W93-F97 AromaticContact NE1-CE2 3.95Å; W93-F97 WeakPolarHBondContact O-CD2 3.45Å; W93-F97 PolarHBondContact O-N 3.24Å; W93-F97 VanDerWaalsContact O-N 3.08Å
94M86.2Confident82.7Confident4 Ų475.7 Ų75.72%0.0237%0.373CS..Hα-helixtrans-59.5-50.8176.2-61.6-62-65.700109.8K73 L76 I90 E91 L96 F97 Q98K73-M94 HydrophobicContact CB-CE 4.44Å; L76-M94 HydrophobicContact CD2-CG 4.1Å; L76-M94 HydrophobicContact CD2-SD 3.71Å; I90-M94 HydrophobicContact CG2-CG 4.47Å; I90-M94 VanDerWaalsContact O-CG 3.3Å; I90-M94 WeakPolarHBondContact O-CG 3.43Å; I90-M94 PolarHBondContact O-N 3.02Å; E91-M94 PolarHBondContact O-N 3.01Å; M94-L96 PolarHBondContact O-N 3.4Å; M94-L96 VanDerWaalsContact O-N 3.16Å; M94-F97 PolarHBondContact O-N 3.13Å; M94-Q98 HydrophobicContact CE-CG 4.18Å; M94-Q98 WeakPolarHBondContact O-CA 3.47Å; M94-Q98 WeakPolarHBondContact O-CB 3.49Å; M94-Q98 PolarHBondContact O-N 2.89Å
95N83.5Confident82.9Confident126 Ų12668.1 Ų68.167%0.67434%0.338SS*.Hα-helixtrans-60.6-29177.6-72.4-33.4000113.8E91E91-N95 VanDerWaalsContact O-CB 3.23Å; E91-N95 WeakPolarHBondContact O-CB 3.29Å; E91-N95 PolarHBondContact O-N 2.9Å; E91-N95 PolarHBondContact O-ND2 3.29Å
96L83.5Confident83.2Confident33 Ų3366.1 Ų66.117%0.17333%0.333CS..Hα-helixtrans-72.9-51.3179.5-175.862.6000110.9K33 F36 F56 N92 W93 M94 H113K33-L96 HydrophobicContact CG-CD1 4.13Å; F36-L96 HydrophobicContact CD1-CD2 3.64Å; F36-L96 HydrophobicContact CE1-CD2 3.77Å; F56-L96 HydrophobicContact CZ-CD2 4.22Å; N92-L96 VanDerWaalsContact O-CB 3.23Å; N92-L96 WeakPolarHBondContact O-CB 3.46Å; N92-L96 PolarHBondContact O-N 3.15Å; W93-L96 PolarHBondContact O-N 3.18Å; M94-L96 PolarHBondContact O-N 3.4Å; M94-L96 VanDerWaalsContact O-N 3.16Å; L96-H113 WeakPolarHBondContact CD1-NE2 3.35Å; L96-H113 PolarHBondContact O-CE1 2.95Å; L96-H113 PolarHBondContact O-ND1 3.18Å
97F82.5Confident83.6Confident0 Ų061.7 Ų61.70%031%0.31CS..Hα-helixtrans-100-27.5-169.9-63.9-70.4000114F56 W93 M94 L99 L105 I110 H113 L114F56-F97 HydrophobicContact CB-CZ 4.16Å; F56-F97 HydrophobicContact CD1-CE2 4.08Å; F56-F97 AromaticContact CD1-CZ 3.79Å; F56-F97 HydrophobicContact CD1-CZ 3.79Å; F56-F97 HydrophobicContact CD2-CE1 4.39Å; F56-F97 AromaticContact CD2-CZ 3.7Å; F56-F97 HydrophobicContact CD2-CZ 3.7Å; F56-F97 HydrophobicContact CE1-CE2 4.14Å; F56-F97 AromaticContact CE1-CZ 3.95Å; F56-F97 HydrophobicContact CE1-CZ 3.95Å; F56-F97 AromaticContact CE2-CZ 3.86Å; F56-F97 HydrophobicContact CE2-CZ 3.86Å; F56-F97 HydrophobicContact CG-CE2 4.36Å; F56-F97 AromaticContact CG-CZ 3.64Å; F56-F97 HydrophobicContact CG-CZ 3.64Å; F56-F97 HydrophobicContact CZ-CE2 4.48Å; F56-F97 AromaticContact CZ-CZ 3.98Å; F56-F97 HydrophobicContact CZ-CZ 3.98Å; W93-F97 AromaticContact CD1-CD2 3.81Å; W93-F97 HydrophobicContact CD2-CD2 4.03Å; W93-F97 AromaticContact CD2-CE2 3.84Å; W93-F97 HydrophobicContact CD2-CE2 3.84Å; W93-F97 AromaticContact CE2-CD2 3.73Å; W93-F97 AromaticContact CE2-CE2 3.61Å; W93-F97 HydrophobicContact CE3-CE2 4.22Å; W93-F97 HydrophobicContact CG-CD2 4.1Å; W93-F97 HydrophobicContact CG-CE2 4.35Å; W93-F97 HydrophobicContact CH2-CE2 4.29Å; W93-F97 HydrophobicContact CZ2-CD2 4.33Å; W93-F97 AromaticContact CZ2-CE2 3.86Å; W93-F97 HydrophobicContact CZ2-CE2 3.86Å; W93-F97 HydrophobicContact CZ3-CE2 4.42Å; W93-F97 AromaticContact NE1-CD2 3.56Å; W93-F97 AromaticContact NE1-CE2 3.95Å; W93-F97 WeakPolarHBondContact O-CD2 3.45Å; W93-F97 PolarHBondContact O-N 3.24Å; W93-F97 VanDerWaalsContact O-N 3.08Å; M94-F97 PolarHBondContact O-N 3.13Å; F97-L99 PolarHBondContact O-N 3.22Å; F97-L99 VanDerWaalsContact O-N 3.13Å; F97-L105 HydrophobicContact CB-CD1 3.5Å; F97-L105 VanDerWaalsContact CB-CD1 3.5Å; F97-L105 HydrophobicContact CB-CD2 3.73Å; F97-L105 HydrophobicContact CB-CG 4.25Å; F97-L105 HydrophobicContact CD2-CD2 4.46Å; F97-L105 HydrophobicContact CG-CD2 4.41Å; F97-I110 HydrophobicContact CB-CG1 4.06Å; F97-I110 HydrophobicContact CD1-CB 4.4Å; F97-I110 HydrophobicContact CD1-CG1 4.04Å; F97-I110 HydrophobicContact CD1-CG2 4.37Å; F97-I110 HydrophobicContact CE1-CG2 4.39Å; F97-I110 HydrophobicContact CG-CG1 4.05Å; F97-H113 HydrophobicContact CD1-CB 3.93Å; F97-H113 AromaticContact CD1-CD2 3.97Å; F97-H113 AromaticContact CD1-CG 3.97Å; F97-H113 AromaticContact CE1-CD2 3.97Å; F97-L114 HydrophobicContact CE1-CD1 4.43Å; F97-L114 HydrophobicContact CE1-CD2 3.93Å; F97-L114 HydrophobicContact CE1-CG 4.04Å
98Q72.6Confident84Confident30 Ų3063.7 Ų63.714%0.1432%0.317CS..  trans-82.199.7-171-152.3-164.56.800110.8M94 K100 T102 R104 L105M94-Q98 HydrophobicContact CE-CG 4.18Å; M94-Q98 WeakPolarHBondContact O-CA 3.47Å; M94-Q98 WeakPolarHBondContact O-CB 3.49Å; M94-Q98 PolarHBondContact O-N 2.89Å; Q98-K100 VanDerWaalsContact C-N 3.3Å; Q98-K100 WeakPolarHBondContact CG-O 3.2Å; Q98-K100 PolarHBondContact NE2-O 2.68Å; Q98-T102 VanDerWaalsContact NE2-N 3.19Å; Q98-T102 PolarHBondContact NE2-O 2.72Å; Q98-T102 PolarHBondContact NE2-OG1 3.23Å; Q98-R104 WeakPolarHBondContact CG-O 3.36Å; Q98-R104 PolarHBondContact NE2-O 3.49Å; Q98-L105 HydrophobicContact CB-CD1 4.13Å; Q98-L105 HydrophobicContact CG-CD1 4.33Å
99L63.8Low84.3Confident91 Ų9157.4 Ų57.448%0.47629%0.288SS..SBendtrans-73.7-26.2-179.2-61.9176.2000112.3F97 E112F97-L99 PolarHBondContact O-N 3.22Å; F97-L99 VanDerWaalsContact O-N 3.13Å; L99-E112 HydrophobicContact CD1-CB 4.19Å; L99-E112 HydrophobicContact CD1-CG 3.95Å; L99-E112 WeakPolarHBondContact CD1-OE2 3.36Å
100K68Low84.6Confident127 Ų12757 Ų5755%0.55229%0.286SS*.SBendtrans-110.5127.3179.5-61166.9-173156.40107.9Q98 T102Q98-K100 VanDerWaalsContact C-N 3.3Å; Q98-K100 WeakPolarHBondContact CG-O 3.2Å; Q98-K100 PolarHBondContact NE2-O 2.68Å; K100-T102 HydrophobicContact CB-CG2 3.76Å; K100-T102 PolarHBondContact O-N 3.47Å
101N75.5Confident84.8Confident168 Ų16856.9 Ų56.990%0.89829%0.285SS*.SBendtrans-70.372.4178-170.826.5000111.2
102T83.7Confident85.1Confident61 Ų6158.7 Ų58.737%0.37429%0.294SS..SBendtrans-112-170.2178.677.90000109.4Q98 K100 R104Q98-T102 VanDerWaalsContact NE2-N 3.19Å; Q98-T102 PolarHBondContact NE2-O 2.72Å; Q98-T102 PolarHBondContact NE2-OG1 3.23Å; K100-T102 HydrophobicContact CB-CG2 3.76Å; K100-T102 PolarHBondContact O-N 3.47Å; T102-R104 PolarHBondContact OG1-N 3.01Å; T102-R104 PolarHBondContact OG1-O 2.78Å
103N85.9Confident85.2Confident121 Ų12156.1 Ų56.165%0.64728%0.279SS*.SBendtrans-101.112.4167.9-79.8-34.7000112.8T72 K73T72-N103 WeakPolarHBondContact CA-O 3.26Å; K73-N103 PolarHBondContact N-O 2.97Å
104R90.8Very high85.3Confident114 Ų11457.2 Ų57.243%0.4329%0.285SS..EExtended strand (participates in β ladder)trans-129.6145.4-172.2-63.8174.2171.3-82.3-6.1110.5E70 I71 T72 Q98 T102E70-R104 VanDerWaalsContact OE2-CD 3.3Å; E70-R104 WeakPolarHBondContact OE2-CD 2.96Å; E70-R104 IonicContact OE2-CZ 3.62Å; E70-R104 IonicContact OE2-NE 3.79Å; E70-R104 IonicContact OE2-NH1 2.82Å; E70-R104 PolarHBondContact OE2-NH1 3.39Å; I71-R104 CarbonylContact O-C 3.55Å; I71-R104 WeakPolarHBondContact O-CA 3.44Å; T72-R104 HydrophobicContact CG2-CG 4.36Å; Q98-R104 WeakPolarHBondContact CG-O 3.36Å; Q98-R104 PolarHBondContact NE2-O 3.49Å; T102-R104 PolarHBondContact OG1-N 3.01Å; T102-R104 PolarHBondContact OG1-O 2.78Å
105L91.5Very high85.4Confident0 Ų065.6 Ų65.60%032%0.324CS..EExtended strand (participates in β ladder)trans-125.8120.2172.7175.767.4000107.7I71 F97 Q98 D109 I110I71-L105 HydrophobicContact CD1-CD2 4.3Å; I71-L105 HydrophobicContact CG1-CB 4.01Å; I71-L105 HydrophobicContact CG1-CD2 4.45Å; I71-L105 PolarHBondContact N-O 3.12Å; I71-L105 PolarHBondContact O-N 3.38Å; F97-L105 HydrophobicContact CB-CD1 3.5Å; F97-L105 VanDerWaalsContact CB-CD1 3.5Å; F97-L105 HydrophobicContact CB-CD2 3.73Å; F97-L105 HydrophobicContact CB-CG 4.25Å; F97-L105 HydrophobicContact CD2-CD2 4.46Å; F97-L105 HydrophobicContact CG-CD2 4.41Å; Q98-L105 HydrophobicContact CB-CD1 4.13Å; Q98-L105 HydrophobicContact CG-CD1 4.33Å; L105-D109 HydrophobicContact CD1-CB 3.58Å; L105-I110 HydrophobicContact CD1-CG1 4.23Å; L105-I110 HydrophobicContact CD2-CD1 3.87Å; L105-I110 HydrophobicContact CD2-CG1 3.95Å; L105-I110 HydrophobicContact CG-CD1 4.18Å; L105-I110 HydrophobicContact CG-CG1 4.09Å
106S93.7Very high85.9Confident18 Ų1862.5 Ų62.513%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-91.1163.7179.267.30000112.4E69 E108 D109 I110E69-S106 CarbonylContact O-C 3.52Å; E69-S106 VanDerWaalsContact O-CA 3.27Å; E69-S106 WeakPolarHBondContact O-CA 3.45Å; S106-E108 PolarHBondContact O-N 3.35Å; S106-E108 PolarHBondContact OG-N 3.24Å; S106-D109 PolarHBondContact N-OD2 2.73Å; S106-D109 PolarHBondContact O-N 3.5Å; S106-D109 PolarHBondContact OG-N 2.88Å; S106-D109 VanDerWaalsContact OG-N 3.11Å; S106-D109 PolarHBondContact OG-OD2 3.02Å; S106-I110 PolarHBondContact O-N 3.37Å
107L95Very high86.3Confident5 Ų566.6 Ų66.63%0.02633%0.325CS..Hα-helixtrans-57.9-39.1168.1-178.659000111.2L57 F60 F61 E69 D109 I110 C111 I118 V121L57-L107 HydrophobicContact CD2-CD1 3.8Å; F60-L107 HydrophobicContact CD1-CD1 4.08Å; F60-L107 HydrophobicContact CE1-CB 3.85Å; F60-L107 HydrophobicContact CE1-CD1 4.01Å; F60-L107 HydrophobicContact CE1-CG 4.43Å; F60-L107 HydrophobicContact CZ-CB 3.92Å; F61-L107 HydrophobicContact CE1-CD1 4.14Å; F61-L107 HydrophobicContact CE1-CD2 4.19Å; F61-L107 HydrophobicContact CZ-CD1 3.98Å; F61-L107 HydrophobicContact CZ-CD2 4.24Å; E69-L107 HydrophobicContact CB-CB 3.96Å; E69-L107 HydrophobicContact CG-CD2 4.16Å; E69-L107 PolarHBondContact O-N 3.27Å; L107-D109 PolarHBondContact O-N 3.34Å; L107-I110 PolarHBondContact O-N 2.89Å; L107-C111 WeakPolarHBondContact O-CB 3.21Å; L107-C111 PolarHBondContact O-N 3.3Å; L107-C111 PolarHBondContact O-SG 2.88Å; L107-C111 VanDerWaalsContact O-SG 3.4Å; L107-I118 HydrophobicContact CD2-CD1 4.46Å; L107-I118 HydrophobicContact CD2-CG1 4.39Å; L107-I118 HydrophobicContact CG-CD1 4.46Å; L107-V121 HydrophobicContact CD1-CG1 4.28Å
108E93.3Very high86.7Confident118 Ų11870.3 Ų70.355%0.55134%0.344SS*.Hα-helixtrans-58.1-46.6176.2-172.9-176.9-159.600111.9S106 I110 C111 E112S106-E108 PolarHBondContact O-N 3.35Å; S106-E108 PolarHBondContact OG-N 3.24Å; E108-I110 VanDerWaalsContact C-N 3.29Å; E108-I110 PolarHBondContact O-N 3.48Å; E108-C111 PolarHBondContact O-N 3.23Å; E108-E112 WeakPolarHBondContact O-CB 3.47Å; E108-E112 PolarHBondContact O-N 3.19Å
109D90.8Very high87.6Confident9 Ų971.6 Ų71.65%0.04837%0.366CS..Hα-helixtrans-59.1-41.4177.9-73.5-36.6000111.3L105 S106 L107 H113L105-D109 HydrophobicContact CD1-CB 3.58Å; S106-D109 PolarHBondContact N-OD2 2.73Å; S106-D109 PolarHBondContact O-N 3.5Å; S106-D109 PolarHBondContact OG-N 2.88Å; S106-D109 VanDerWaalsContact OG-N 3.11Å; S106-D109 PolarHBondContact OG-OD2 3.02Å; L107-D109 PolarHBondContact O-N 3.34Å; D109-H113 WeakPolarHBondContact O-CB 3.24Å; D109-H113 PolarHBondContact O-N 2.9Å
110I90.8Very high88.9Confident1 Ų173.8 Ų73.81%0.00538%0.378CS..Hα-helixtrans-67.1-48.8177.8-69.1170.6000110.8L57 F60 F97 L105 S106 L107 E108 E112 H113 L114L57-I110 HydrophobicContact CD2-CG2 4.03Å; F60-I110 HydrophobicContact CB-CD1 3.84Å; F60-I110 HydrophobicContact CD2-CD1 3.11Å; F60-I110 HydrophobicContact CE2-CD1 3.73Å; F60-I110 HydrophobicContact CG-CD1 3.59Å; F97-I110 HydrophobicContact CB-CG1 4.06Å; F97-I110 HydrophobicContact CD1-CB 4.4Å; F97-I110 HydrophobicContact CD1-CG1 4.04Å; F97-I110 HydrophobicContact CD1-CG2 4.37Å; F97-I110 HydrophobicContact CE1-CG2 4.39Å; F97-I110 HydrophobicContact CG-CG1 4.05Å; L105-I110 HydrophobicContact CD1-CG1 4.23Å; L105-I110 HydrophobicContact CD2-CD1 3.87Å; L105-I110 HydrophobicContact CD2-CG1 3.95Å; L105-I110 HydrophobicContact CG-CD1 4.18Å; L105-I110 HydrophobicContact CG-CG1 4.09Å; S106-I110 PolarHBondContact O-N 3.37Å; L107-I110 PolarHBondContact O-N 2.89Å; E108-I110 VanDerWaalsContact C-N 3.29Å; E108-I110 PolarHBondContact O-N 3.48Å; I110-E112 PolarHBondContact O-N 2.92Å; I110-H113 PolarHBondContact O-N 3.17Å; I110-L114 HydrophobicContact CG2-CD1 3.59Å; I110-L114 HydrophobicContact CG2-CG 4.21Å; I110-L114 WeakPolarHBondContact O-CB 3.49Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.48Å; I110-L114 PolarHBondContact O-N 2.79Å
111C92.6Very high89.9Confident3 Ų371.7 Ų71.72%0.0238%0.375CS..Hα-helixtrans-60-44.4179-74.60000111.6L107 E108 H113 L114 Q115 L116L107-C111 WeakPolarHBondContact O-CB 3.21Å; L107-C111 PolarHBondContact O-N 3.3Å; L107-C111 PolarHBondContact O-SG 2.88Å; L107-C111 VanDerWaalsContact O-SG 3.4Å; E108-C111 PolarHBondContact O-N 3.23Å; C111-H113 VanDerWaalsContact C-N 3.34Å; C111-H113 PolarHBondContact O-N 3.02Å; C111-L114 CarbonylContact O-C 3.58Å; C111-L114 PolarHBondContact O-N 3.03Å; C111-Q115 WeakPolarHBondContact O-CA 3.34Å; C111-Q115 PolarHBondContact O-N 3.37Å; C111-L116 HydrophobicContact CB-CB 4.34Å; C111-L116 PolarHBondContact O-N 2.89Å
112E90.7Very high90.6Very high127 Ų12766.9 Ų66.959%0.59335%0.349SS*.Hα-helixtrans-59.3-45.6175.1-174.5178170.400111L99 E108 I110 L114 Q115L99-E112 HydrophobicContact CD1-CB 4.19Å; L99-E112 HydrophobicContact CD1-CG 3.95Å; L99-E112 WeakPolarHBondContact CD1-OE2 3.36Å; E108-E112 WeakPolarHBondContact O-CB 3.47Å; E108-E112 PolarHBondContact O-N 3.19Å; I110-E112 PolarHBondContact O-N 2.92Å; E112-L114 PolarHBondContact O-N 3.16Å; E112-Q115 PolarHBondContact O-N 3.4Å
113H87.7Confident91Very high22 Ų2267.2 Ų67.210%0.10235%0.348CS..Hα-helixtrans-67.5-34.9180-168.994.8000113.6K33 L96 F97 D109 I110 C111K33-H113 WeakPolarHBondContact CE-NE2 3.41Å; K33-H113 PolarHBondContact NZ-CD2 3.43Å; K33-H113 PolarHBondContact NZ-NE2 2.83Å; K33-H113 PolarHBondContact NZ-O 2.97Å; L96-H113 WeakPolarHBondContact CD1-NE2 3.35Å; L96-H113 PolarHBondContact O-CE1 2.95Å; L96-H113 PolarHBondContact O-ND1 3.18Å; F97-H113 HydrophobicContact CD1-CB 3.93Å; F97-H113 AromaticContact CD1-CD2 3.97Å; F97-H113 AromaticContact CD1-CG 3.97Å; F97-H113 AromaticContact CE1-CD2 3.97Å; D109-H113 WeakPolarHBondContact O-CB 3.24Å; D109-H113 PolarHBondContact O-N 2.9Å; I110-H113 PolarHBondContact O-N 3.17Å; C111-H113 VanDerWaalsContact C-N 3.34Å; C111-H113 PolarHBondContact O-N 3.02Å
114L88.9Confident91.2Very high23 Ų2364.2 Ų64.212%0.1233%0.331CS..Hα-helixtrans-86.5-6.6179.8-65.5-179.6000113.4F56 F97 I110 C111 E112 L116F56-L114 HydrophobicContact CB-CD1 4.18Å; F56-L114 HydrophobicContact CD2-CD1 4.49Å; F56-L114 HydrophobicContact CD2-CD2 3.95Å; F56-L114 HydrophobicContact CE2-CD2 4.46Å; F97-L114 HydrophobicContact CE1-CD1 4.43Å; F97-L114 HydrophobicContact CE1-CD2 3.93Å; F97-L114 HydrophobicContact CE1-CG 4.04Å; I110-L114 HydrophobicContact CG2-CD1 3.59Å; I110-L114 HydrophobicContact CG2-CG 4.21Å; I110-L114 WeakPolarHBondContact O-CB 3.49Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.48Å; I110-L114 PolarHBondContact O-N 2.79Å; C111-L114 CarbonylContact O-C 3.58Å; C111-L114 PolarHBondContact O-N 3.03Å; E112-L114 PolarHBondContact O-N 3.16Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 HydrophobicContact CB-CD1 3.97Å; L114-L116 HydrophobicContact CB-CG 3.86Å; L114-L116 HydrophobicContact CD1-CD1 4.09Å
115Q89.8Confident91.3Very high181 Ų18161.2 Ų61.285%0.84633%0.325SS*.THydrogen-bonded Turntrans59.139.7-174.3-55.7179.2-2.200112.5C111 E112C111-Q115 WeakPolarHBondContact O-CA 3.34Å; C111-Q115 PolarHBondContact O-N 3.37Å; E112-Q115 PolarHBondContact O-N 3.4Å
116L92.6Very high91.3Very high60 Ų6065.1 Ų65.131%0.31435%0.346SS..  trans-97.4148.5173-59.7176.5000109.5L57 C111 L114 V121L57-L116 HydrophobicContact CD1-CD1 3.68Å; L57-L116 HydrophobicContact CG-CD1 4.39Å; C111-L116 HydrophobicContact CB-CB 4.34Å; C111-L116 PolarHBondContact O-N 2.89Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 HydrophobicContact CB-CD1 3.97Å; L114-L116 HydrophobicContact CB-CG 3.86Å; L114-L116 HydrophobicContact CD1-CD1 4.09Å; L116-V121 HydrophobicContact CB-CG2 4.25Å; L116-V121 HydrophobicContact CD1-CG2 4.05Å
117H92.2Very high91.1Very high120 Ų12068.2 Ų68.256%0.55636%0.36SS*.  trans-83.5129166.8-175.4-93.1000108.3G119 D120H117-G119 PolarHBondContact ND1-N 3.27Å; H117-G119 VanDerWaalsContact ND1-N 3.18Å; H117-G119 PolarHBondContact O-N 3.29Å; H117-D120 HydrophobicContact CB-CB 4.41Å; H117-D120 WeakPolarHBondContact CB-OD2 3.45Å; H117-D120 IonicContact ND1-OD1 3.86Å; H117-D120 WeakPolarHBondContact O-CB 3.4Å; H117-D120 PolarHBondContact O-N 2.66Å
118I91.9Very high90.8Very high77 Ų7772.7 Ų72.740%0.39538%0.384SS..G310 helixtrans-61.8-30.3-174.5-167.5166.9000112.9L107 D120 V121L107-I118 HydrophobicContact CD2-CD1 4.46Å; L107-I118 HydrophobicContact CD2-CG1 4.39Å; L107-I118 HydrophobicContact CG-CD1 4.46Å; I118-D120 PolarHBondContact O-N 2.81Å; I118-V121 PolarHBondContact O-N 2.6Å
119G90.8Very high90.6Very high58 Ų5869.2 Ų69.260%0.59837%0.371SS*.G310 helixtrans-73.6-6.1175.100000115.1H117H117-G119 PolarHBondContact ND1-N 3.27Å; H117-G119 VanDerWaalsContact ND1-N 3.18Å; H117-G119 PolarHBondContact O-N 3.29Å
120D90.5Very high90.6Very high137 Ų13774.3 Ų74.373%0.73340%0.398SS*.G310 helixtrans-100.91.7177.3-60.7-16.7000112.3H117 I118H117-D120 HydrophobicContact CB-CB 4.41Å; H117-D120 WeakPolarHBondContact CB-OD2 3.45Å; H117-D120 IonicContact ND1-OD1 3.86Å; H117-D120 WeakPolarHBondContact O-CB 3.4Å; H117-D120 PolarHBondContact O-N 2.66Å; I118-D120 PolarHBondContact O-N 2.81Å
121V88.6Confident90.6Very high82 Ų8280.9 Ų80.950%0.49743%0.434SS..  trans-107.30-179.9176.50000109.5L57 F61 L107 L116 I118L57-V121 HydrophobicContact CD1-CG1 3.79Å; L57-V121 HydrophobicContact CD1-CG2 3.92Å; L57-V121 HydrophobicContact CD2-CG1 3.85Å; L57-V121 HydrophobicContact CG-CG1 4.38Å; F61-V121 HydrophobicContact CE2-CG1 3.91Å; F61-V121 HydrophobicContact CZ-CG1 3.7Å; L107-V121 HydrophobicContact CD1-CG1 4.28Å; L116-V121 HydrophobicContact CB-CG2 4.25Å; L116-V121 HydrophobicContact CD1-CG2 4.05Å; I118-V121 PolarHBondContact O-N 2.6Å

Retrieved 121 of 121 residues in 68.2 ms (Link to these results)

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