A0A093HQC5_STRCA Loading...

Elongation factor 1-beta

AlphaFold DB , UniProt , Accession A0A093HQC5, Species STRCA (Struthio camelus australis), Gene n/a, Length 186 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
1E53.7Low77.8Confident209 Ų20993.4 Ų93.498%0.97759%0.586SS**  0129.20-126.8172.4135.900107
2A63.5Low78.6Confident94 Ų9498.3 Ų98.378%0.77759%0.592SS**  trans-73.9-32.1-169.500000113
3I69.8Low79.5Confident84 Ų84103.5 Ų103.543%0.43161%0.606SS.*  trans-150.8129.5175.7-53.5-176.5000108.3A5 W17 Y18I3-A5 WeakPolarHBondContact CG2-O 3.17Å; I3-W17 HydrophobicContact CD1-CZ3 3.85Å; I3-Y18 HydrophobicContact CB-CD2 4.49Å; I3-Y18 HydrophobicContact CB-CE2 4.43Å; I3-Y18 HydrophobicContact CG2-CE2 4.42Å
4A71.1Confident79.9Confident92 Ų9298.8 Ų98.876%0.7659%0.585SS**SBendtrans-90.8-16.9-175.600000114.7
5A81.3Confident80.4Confident59 Ų5995.7 Ų95.749%0.48856%0.564SS.*SBendtrans-132149.7-176.700000111.5I3I3-A5 WeakPolarHBondContact CG2-O 3.17Å
6P84.1Confident81Confident89 Ų89101.9 Ų101.958%0.57858%0.575SS**PPolyproline II helixtrans-64.2135.8177.426.6-33.1000110.8Y18P6-Y18 HydrophobicContact CB-CD1 4.07Å; P6-Y18 HydrophobicContact CB-CE1 3.72Å
7P86.8Confident81.5Confident24 Ų24103.4 Ų103.416%0.15657%0.57CS.*PPolyproline II helixtrans-67.2155.6173.928.2-33.4000111.1A14 L15P7-A14 HydrophobicContact CB-CB 4.15Å; P7-A14 HydrophobicContact CG-CB 3.98Å; P7-L15 HydrophobicContact CG-CB 4.21Å
8P85.5Confident81.8Confident82 Ų8299.5 Ų99.553%0.53255%0.545SS..PPolyproline II helixtrans-60.2150.8179.923.7-32.9000112.2D10 L11P8-D10 PolarHBondContact O-N 3.36Å; P8-D10 VanDerWaalsContact O-N 3.15Å; P8-L11 HydrophobicContact CG-CD1 4Å; P8-L11 HydrophobicContact CG-CG 4.35Å; P8-L11 PolarHBondContact O-N 3.4Å
9A83.6Confident82.1Confident62 Ų6298.7 Ų98.751%0.51254%0.54SS..THydrogen-bonded Turntrans-61.5-25.2-173.900000114L11 F12 L15A9-L11 PolarHBondContact O-N 3.08Å; A9-F12 WeakPolarHBondContact O-CD1 3.4Å; A9-F12 VanDerWaalsContact O-CE1 3.25Å; A9-F12 WeakPolarHBondContact O-CE1 3.39Å; A9-L15 HydrophobicContact CB-CD1 4.3Å
10D89.8Confident82.4Confident135 Ų13598.8 Ų98.872%0.72254%0.536SS*.THydrogen-bonded Turntrans-64.3-23.6176.8-58.4-23.2000112.4P8 F12P8-D10 PolarHBondContact O-N 3.36Å; P8-D10 VanDerWaalsContact O-N 3.15Å; D10-F12 VanDerWaalsContact C-N 3.35Å; D10-F12 WeakPolarHBondContact O-CD2 3.2Å; D10-F12 WeakPolarHBondContact O-CE2 3.44Å; D10-F12 PolarHBondContact O-N 2.91Å
11L86.4Confident82.5Confident97 Ų9797 Ų9751%0.50853%0.526SS..  trans-94.166.4174.9-61.9174.3000109.9P8 A9 H13 A14 L15P8-L11 HydrophobicContact CG-CD1 4Å; P8-L11 HydrophobicContact CG-CG 4.35Å; P8-L11 PolarHBondContact O-N 3.4Å; A9-L11 PolarHBondContact O-N 3.08Å; L11-H13 VanDerWaalsContact C-N 3.25Å; L11-H13 PolarHBondContact O-N 3.1Å; L11-H13 VanDerWaalsContact O-N 3.13Å; L11-A14 HydrophobicContact CB-CB 3.86Å; L11-A14 PolarHBondContact O-N 3.17Å; L11-L15 PolarHBondContact O-N 2.84Å
12F87.8Confident84Confident152 Ų15292.5 Ų92.567%0.66750%0.503SS*.Hα-helixtrans-51-41.4-174.3-55.9-76.1000113.6A9 D10 R16A9-F12 WeakPolarHBondContact O-CD1 3.4Å; A9-F12 VanDerWaalsContact O-CE1 3.25Å; A9-F12 WeakPolarHBondContact O-CE1 3.39Å; D10-F12 VanDerWaalsContact C-N 3.35Å; D10-F12 WeakPolarHBondContact O-CD2 3.2Å; D10-F12 WeakPolarHBondContact O-CE2 3.44Å; D10-F12 PolarHBondContact O-N 2.91Å; F12-R16 WeakPolarHBondContact O-CB 3.3Å; F12-R16 PolarHBondContact O-N 2.76Å
13H89.9Confident85.1Confident166 Ų16691.5 Ų91.577%0.76949%0.49SS*.Hα-helixtrans-69.6-40.9178.4-62.2-62.5000112.5L11 W17L11-H13 VanDerWaalsContact C-N 3.25Å; L11-H13 PolarHBondContact O-N 3.1Å; L11-H13 VanDerWaalsContact O-N 3.13Å; H13-W17 WeakPolarHBondContact O-CB 3.5Å; H13-W17 PolarHBondContact O-N 3.2Å
14A85.9Confident85.6Confident38 Ų3892.3 Ų92.331%0.31449%0.489SS..Hα-helixtrans-68.4-39.6177.700000111.3P7 L11 W17 Y18P7-A14 HydrophobicContact CB-CB 4.15Å; P7-A14 HydrophobicContact CG-CB 3.98Å; L11-A14 HydrophobicContact CB-CB 3.86Å; L11-A14 PolarHBondContact O-N 3.17Å; A14-W17 PolarHBondContact O-N 3.03Å; A14-Y18 VanDerWaalsContact O-CB 3.3Å; A14-Y18 WeakPolarHBondContact O-CB 3.33Å; A14-Y18 PolarHBondContact O-N 3.38Å
15L87Confident86Confident52 Ų5292.9 Ų92.927%0.27248%0.476SS..Hα-helixtrans-66.9-43.7177-169.5153.1000111.6P7 A9 L11 Y18 N19P7-L15 HydrophobicContact CG-CB 4.21Å; A9-L15 HydrophobicContact CB-CD1 4.3Å; L11-L15 PolarHBondContact O-N 2.84Å; L15-Y18 PolarHBondContact O-N 3.03Å; L15-N19 VanDerWaalsContact CD2-ND2 3.26Å; L15-N19 WeakPolarHBondContact CD2-ND2 3.33Å; L15-N19 WeakPolarHBondContact O-CB 3.34Å; L15-N19 PolarHBondContact O-N 3.13Å; L15-N19 PolarHBondContact O-ND2 2.9Å
16R89.4Confident85.8Confident196 Ų19699.4 Ų99.474%0.7449%0.493SS*.Hα-helixtrans-60.4-46.3174-178.8-179.1169.4-176.2-3.4111.3F12 N19 H20F12-R16 WeakPolarHBondContact O-CB 3.3Å; F12-R16 PolarHBondContact O-N 2.76Å; R16-N19 PolarHBondContact O-N 3.28Å; R16-H20 WeakPolarHBondContact O-CB 3.37Å; R16-H20 PolarHBondContact O-N 3.26Å
17W89.4Confident85.4Confident127 Ų127100.8 Ų100.848%0.48149%0.492SS..Hα-helixtrans-61.8-45.7176.8176.488.7000111.6I3 H13 A14 N19 H20 I21I3-W17 HydrophobicContact CD1-CZ3 3.85Å; H13-W17 WeakPolarHBondContact O-CB 3.5Å; H13-W17 PolarHBondContact O-N 3.2Å; A14-W17 PolarHBondContact O-N 3.03Å; W17-N19 PolarHBondContact O-N 3.15Å; W17-H20 WeakPolarHBondContact O-CB 3.36Å; W17-H20 PolarHBondContact O-N 3.26Å; W17-I21 HydrophobicContact CD2-CG1 3.95Å; W17-I21 HydrophobicContact CE3-CG1 4.47Å; W17-I21 HydrophobicContact CG-CG1 4.39Å; W17-I21 HydrophobicContact CH2-CG1 4.32Å; W17-I21 HydrophobicContact CZ2-CD1 4.41Å; W17-I21 HydrophobicContact CZ2-CG1 3.78Å; W17-I21 WeakPolarHBondContact O-CG1 3.22Å; W17-I21 PolarHBondContact O-N 3.36Å
18Y88.1Confident84.7Confident33 Ų33105.8 Ų105.813%0.12951%0.511CS..Hα-helixtrans-58.3-47.5177.8179.1-95.6000111.7I3 P6 A14 L15 H20 I21 K22I3-Y18 HydrophobicContact CB-CD2 4.49Å; I3-Y18 HydrophobicContact CB-CE2 4.43Å; I3-Y18 HydrophobicContact CG2-CE2 4.42Å; P6-Y18 HydrophobicContact CB-CD1 4.07Å; P6-Y18 HydrophobicContact CB-CE1 3.72Å; A14-Y18 VanDerWaalsContact O-CB 3.3Å; A14-Y18 WeakPolarHBondContact O-CB 3.33Å; A14-Y18 PolarHBondContact O-N 3.38Å; L15-Y18 PolarHBondContact O-N 3.03Å; Y18-H20 VanDerWaalsContact C-N 3.34Å; Y18-H20 PolarHBondContact O-N 2.96Å; Y18-I21 PolarHBondContact O-N 2.87Å; Y18-K22 HydrophobicContact CE1-CD 4.27Å; Y18-K22 WeakPolarHBondContact O-CB 3.4Å; Y18-K22 PolarHBondContact O-N 2.98Å
19N87.8Confident84Confident85 Ų85106.6 Ų106.646%0.45553%0.525SS..Hα-helixtrans-63.3-40.1177.1-73.1-19.2000112.3L15 R16 W17 K22 S23L15-N19 VanDerWaalsContact CD2-ND2 3.26Å; L15-N19 WeakPolarHBondContact CD2-ND2 3.33Å; L15-N19 WeakPolarHBondContact O-CB 3.34Å; L15-N19 PolarHBondContact O-N 3.13Å; L15-N19 PolarHBondContact O-ND2 2.9Å; R16-N19 PolarHBondContact O-N 3.28Å; W17-N19 PolarHBondContact O-N 3.15Å; N19-K22 PolarHBondContact O-N 3.45Å; N19-S23 PolarHBondContact O-N 3.42Å; N19-S23 VanDerWaalsContact O-N 3.14Å
20H87.5Confident83.6Confident100 Ų100108.6 Ų108.646%0.46354%0.535SS..Hα-helixtrans-60.5-52.5174.9-178.1-99.2000110.9R16 W17 Y18 K22 S23 Y24R16-H20 WeakPolarHBondContact O-CB 3.37Å; R16-H20 PolarHBondContact O-N 3.26Å; W17-H20 WeakPolarHBondContact O-CB 3.36Å; W17-H20 PolarHBondContact O-N 3.26Å; Y18-H20 VanDerWaalsContact C-N 3.34Å; Y18-H20 PolarHBondContact O-N 2.96Å; H20-K22 VanDerWaalsContact C-N 3.32Å; H20-K22 PolarHBondContact O-N 3.19Å; H20-S23 WeakPolarHBondContact O-CB 3.07Å; H20-S23 PolarHBondContact O-N 3.47Å; H20-S23 VanDerWaalsContact O-N 3.15Å; H20-S23 PolarHBondContact O-OG 2.88Å; H20-Y24 AromaticContact CE1-CE2 3.38Å; H20-Y24 WeakPolarHBondContact CE1-CE2 3.25Å; H20-Y24 AromaticContact CE1-CZ 3.94Å; H20-Y24 AromaticContact ND1-CE2 3.65Å; H20-Y24 AromaticContact NE2-CE2 3.63Å; H20-Y24 AromaticContact NE2-CZ 3.95Å; H20-Y24 PolarHBondContact NE2-OH 3.02Å; H20-Y24 WeakPolarHBondContact O-CD2 3.47Å; H20-Y24 WeakPolarHBondContact O-CE2 3.32Å
21I84.9Confident82.9Confident60 Ų60107.6 Ų107.631%0.30853%0.529SS..Hα-helixtrans-62.9-37.4179.4-62.7-58.6000112.3W17 Y18 S23 Y24W17-I21 HydrophobicContact CD2-CG1 3.95Å; W17-I21 HydrophobicContact CE3-CG1 4.47Å; W17-I21 HydrophobicContact CG-CG1 4.39Å; W17-I21 HydrophobicContact CH2-CG1 4.32Å; W17-I21 HydrophobicContact CZ2-CD1 4.41Å; W17-I21 HydrophobicContact CZ2-CG1 3.78Å; W17-I21 WeakPolarHBondContact O-CG1 3.22Å; W17-I21 PolarHBondContact O-N 3.36Å; Y18-I21 PolarHBondContact O-N 2.87Å; I21-S23 VanDerWaalsContact C-N 3.29Å; I21-S23 PolarHBondContact O-N 2.91Å; I21-Y24 PolarHBondContact O-N 2.97Å
22K84.7Confident82Confident115 Ų115109.5 Ų109.550%0.555%0.547SS..Hα-helixtrans-62.8-33.8176.4-170.6173.4-177.9176.50112.5Y18 N19 H20 Y24 E25Y18-K22 HydrophobicContact CE1-CD 4.27Å; Y18-K22 WeakPolarHBondContact O-CB 3.4Å; Y18-K22 PolarHBondContact O-N 2.98Å; N19-K22 PolarHBondContact O-N 3.45Å; H20-K22 VanDerWaalsContact C-N 3.32Å; H20-K22 PolarHBondContact O-N 3.19Å; K22-Y24 PolarHBondContact O-N 3.36Å; K22-E25 WeakPolarHBondContact O-CB 3.46Å; K22-E25 PolarHBondContact O-N 2.95Å; K22-E25 VanDerWaalsContact O-N 3.07Å
23S86.1Confident81Confident73 Ų73105.1 Ų105.151%0.5155%0.545SS..Hα-helixtrans-61-28.8177.177.30000113.3N19 H20 I21N19-S23 PolarHBondContact O-N 3.42Å; N19-S23 VanDerWaalsContact O-N 3.14Å; H20-S23 WeakPolarHBondContact O-CB 3.07Å; H20-S23 PolarHBondContact O-N 3.47Å; H20-S23 VanDerWaalsContact O-N 3.15Å; H20-S23 PolarHBondContact O-OG 2.88Å; I21-S23 VanDerWaalsContact C-N 3.29Å; I21-S23 PolarHBondContact O-N 2.91Å
24Y81.4Confident79.8Confident102 Ų102102.2 Ų102.240%0.454%0.539SS..THydrogen-bonded Turntrans-83.4-7177.8-63.3-80.2000113.8H20 I21 K22 K26 Q27 K28H20-Y24 AromaticContact CE1-CE2 3.38Å; H20-Y24 WeakPolarHBondContact CE1-CE2 3.25Å; H20-Y24 AromaticContact CE1-CZ 3.94Å; H20-Y24 AromaticContact ND1-CE2 3.65Å; H20-Y24 AromaticContact NE2-CE2 3.63Å; H20-Y24 AromaticContact NE2-CZ 3.95Å; H20-Y24 PolarHBondContact NE2-OH 3.02Å; H20-Y24 WeakPolarHBondContact O-CD2 3.47Å; H20-Y24 WeakPolarHBondContact O-CE2 3.32Å; I21-Y24 PolarHBondContact O-N 2.97Å; K22-Y24 PolarHBondContact O-N 3.36Å; Y24-K26 VanDerWaalsContact C-N 3.26Å; Y24-K26 PolarHBondContact O-N 2.83Å; Y24-Q27 WeakPolarHBondContact O-CA 3.41Å; Y24-Q27 WeakPolarHBondContact O-CB 3.48Å; Y24-Q27 PolarHBondContact O-N 3.43Å; Y24-K28 PolarHBondContact O-N 3.29Å
25E78.5Confident78.8Confident104 Ų104110.4 Ų110.449%0.48657%0.567SS.*Hα-helixtrans-58.1-38.4-177.2-169.9179.6-17400112.5K22 Q27 K28K22-E25 WeakPolarHBondContact O-CB 3.46Å; K22-E25 PolarHBondContact O-N 2.95Å; K22-E25 VanDerWaalsContact O-N 3.07Å; E25-Q27 VanDerWaalsContact C-N 3.27Å; E25-Q27 PolarHBondContact O-N 2.97Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.48Å
26K77.4Confident77.8Confident196 Ų196114 Ų11485%0.85258%0.58SS**Hα-helixtrans-65.7-30.6175.2-65.3-178.7-179.6179.30112.8Y24Y24-K26 VanDerWaalsContact C-N 3.26Å; Y24-K26 PolarHBondContact O-N 2.83Å
27Q76.5Confident76.7Confident118 Ų118108.1 Ų108.155%0.55157%0.573SS**Hα-helixtrans-81-26.8178.8-64.9179.1-5.500111.4Y24 E25 A29 S30 L31Y24-Q27 WeakPolarHBondContact O-CA 3.41Å; Y24-Q27 WeakPolarHBondContact O-CB 3.48Å; Y24-Q27 PolarHBondContact O-N 3.43Å; E25-Q27 VanDerWaalsContact C-N 3.27Å; E25-Q27 PolarHBondContact O-N 2.97Å; Q27-A29 PolarHBondContact O-N 2.87Å; Q27-A29 VanDerWaalsContact O-N 3.12Å; Q27-S30 WeakPolarHBondContact O-CB 3.35Å; Q27-S30 PolarHBondContact O-N 3.12Å; Q27-L31 VanDerWaalsContact C-CD1 3.46Å; Q27-L31 WeakPolarHBondContact O-CD1 3.06Å; Q27-L31 PolarHBondContact O-N 2.99Å
28K71.9Confident75.3Confident128 Ų128109.3 Ų109.356%0.55759%0.589SS**Hα-helixtrans-51.3-34.3179.2-76.4-176.4-177176.50114.6Y24 E25 S30 L31Y24-K28 PolarHBondContact O-N 3.29Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.48Å; K28-S30 VanDerWaalsContact C-N 3.35Å; K28-L31 HydrophobicContact CB-CD1 4.49Å
29A70.3Confident74.1Confident100 Ų100110.8 Ų110.883%0.82661%0.613SS**THydrogen-bonded Turntrans-75.8-22178.100000113.8Q27Q27-A29 PolarHBondContact O-N 2.87Å; Q27-A29 VanDerWaalsContact O-N 3.12Å
30S74.4Confident72.8Confident104 Ų104114.3 Ų114.373%0.72763%0.625SS**THydrogen-bonded Turntrans-95.2-11.5-177.7-1650000112.9Q27 K28Q27-S30 WeakPolarHBondContact O-CB 3.35Å; Q27-S30 PolarHBondContact O-N 3.12Å; K28-S30 VanDerWaalsContact C-N 3.35Å
31L75.1Confident71.5Confident114 Ų114116.3 Ų116.360%0.59763%0.629SS**SBendtrans-70.9130.1178.4-68.9108.9000110.3Q27 K28 G33Q27-L31 VanDerWaalsContact C-CD1 3.46Å; Q27-L31 WeakPolarHBondContact O-CD1 3.06Å; Q27-L31 PolarHBondContact O-N 2.99Å; K28-L31 HydrophobicContact CB-CD1 4.49Å; L31-G33 PolarHBondContact O-N 2.94Å
32P67.5Low70.4Confident137 Ų137116.1 Ų116.189%0.8964%0.642SS**  trans-69.2102.7172.527.7-31.9000109.2
33G66.9Low69.2Low59 Ų59115.4 Ų115.461%0.60865%0.649SS**  trans-164127.6178.400000112.7L31L31-G33 PolarHBondContact O-N 2.94Å
34V64.8Low67.8Low106 Ų106116.8 Ų116.864%0.64267%0.665SS**  trans-82.5118.4174.9-178.20000108.3K36 Y41V34-K36 HydrophobicContact CG1-CG 4.32Å; V34-K36 PolarHBondContact O-N 3.07Å; V34-Y41 PolarHBondContact O-OH 3.25Å
35K65.8Low66.5Low209 Ų209119.4 Ų119.491%0.90969%0.686SS**  trans-59.1102.3175.1-66.9-179.6-176.6175.60109.9
36K65.6Low65.2Low128 Ų128119.3 Ų119.356%0.55769%0.692SS**  trans-105.3157.7171.3-61.5179.1-176.6175.70110.2V34 K40 Y41V34-K36 HydrophobicContact CG1-CG 4.32Å; V34-K36 PolarHBondContact O-N 3.07Å; K36-K40 HydrophobicContact CB-CB 3.96Å; K36-K40 HydrophobicContact CD-CB 4.34Å; K36-Y41 HydrophobicContact CB-CD2 4.06Å; K36-Y41 HydrophobicContact CB-CE2 3.62Å; K36-Y41 HydrophobicContact CG-CE2 4.49Å
37A65.6Low63.7Low72 Ų72118.8 Ų118.860%0.59569%0.693SS**  trans-59.2150.917200000110.5G39 K40A37-G39 VanDerWaalsContact C-N 3.28Å; A37-G39 PolarHBondContact O-N 3.21Å; A37-K40 WeakPolarHBondContact O-CB 3.26Å; A37-K40 PolarHBondContact O-N 3.4Å
38L60.2Low62Low153 Ų153118.7 Ų118.780%0.80170%0.696SS**G310 helixtrans-53.5-43.2-172.2-135.185.8000112.3K40 Y41L38-K40 PolarHBondContact O-N 3.15Å; L38-K40 VanDerWaalsContact O-N 3.1Å; L38-Y41 PolarHBondContact O-N 3.23Å; L38-Y41 VanDerWaalsContact O-N 3.17Å
39G62.2Low60.9Low63 Ų63118.8 Ų118.865%0.64971%0.708SS**G310 helixtrans-72.66.3177.400000116.2A37A37-G39 VanDerWaalsContact C-N 3.28Å; A37-G39 PolarHBondContact O-N 3.21Å
40K61.9Low59.5Low160 Ų160119.9 Ų119.970%0.69670%0.704SS**G310 helixtrans-107.7-0.9172.2-70.3-74.9-176.9-172.20112.4K36 A37 L38K36-K40 HydrophobicContact CB-CB 3.96Å; K36-K40 HydrophobicContact CD-CB 4.34Å; A37-K40 WeakPolarHBondContact O-CB 3.26Å; A37-K40 PolarHBondContact O-N 3.4Å; L38-K40 PolarHBondContact O-N 3.15Å; L38-K40 VanDerWaalsContact O-N 3.1Å
41Y59.6Low57.4Low141 Ų141117.7 Ų117.755%0.55370%0.699SS**SBendtrans-101.5113.4170-79.4-84.2000108.5V34 K36 L38V34-Y41 PolarHBondContact O-OH 3.25Å; K36-Y41 HydrophobicContact CB-CD2 4.06Å; K36-Y41 HydrophobicContact CB-CE2 3.62Å; K36-Y41 HydrophobicContact CG-CE2 4.49Å; L38-Y41 PolarHBondContact O-N 3.23Å; L38-Y41 VanDerWaalsContact O-N 3.17Å
42G62.5Low55.4Low56 Ų56117.2 Ų117.258%0.57771%0.711SS**SBendtrans135.8168.6-172.400000110.9
43P58.8Low53.8Low100 Ų100114.8 Ų114.865%0.64970%0.703SS**  trans-58.1144.917319-22.9000110.4D45 V46P43-D45 PolarHBondContact O-N 3.14Å; P43-V46 HydrophobicContact CG-CG2 3.84Å; P43-V46 WeakPolarHBondContact O-CG2 3.38Å
44A56.1Low52.2Low102 Ų102118.4 Ų118.484%0.84371%0.713SS**THydrogen-bonded Turntrans-66.7-9-168.900000114.9
45D54.5Low50.7Low157 Ų157121 Ų12184%0.8472%0.723SS**THydrogen-bonded Turntrans-113.315.3-170.4-66.5-65.4000114.2P43P43-D45 PolarHBondContact O-N 3.14Å
46V50.9Low49.4Very low102 Ų102115.1 Ų115.162%0.61871%0.709SS**  trans-111.4114.7173.8-71.30000111.1P43P43-V46 HydrophobicContact CG-CG2 3.84Å; P43-V46 WeakPolarHBondContact O-CG2 3.38Å
47E45.6Very low48.1Very low185 Ų185118.2 Ų118.286%0.86472%0.722SS**  trans-64.9149.3166.8-85.4-175.1142.600111.1T49E47-T49 PolarHBondContact O-N 3.36Å; E47-T49 VanDerWaalsContact O-N 3.08Å
48D42.5Very low46.9Very low116 Ų116122.6 Ų122.662%0.6274%0.735SS**  trans-59.6102.2-173.2-169.5-6.4000112.4T50D48-T50 PolarHBondContact OD1-N 3.46Å; D48-T50 PolarHBondContact OD1-OG1 2.62Å
49T47.5Very low45.9Very low130 Ų130120.7 Ų120.780%0.79873%0.726SS**  trans-102.167.117153.50000110.7E47 G51E47-T49 PolarHBondContact O-N 3.36Å; E47-T49 VanDerWaalsContact O-N 3.08Å; T49-G51 PolarHBondContact O-N 3.33Å
50T40.5Very low45.3Very low123 Ų123124.6 Ų124.676%0.75573%0.732SS**  trans-7077.9160.135.80000109.9D48D48-T50 PolarHBondContact OD1-N 3.46Å; D48-T50 PolarHBondContact OD1-OG1 2.62Å
51G31.8Very low44.8Very low59 Ų59124.3 Ų124.361%0.60874%0.738SS**  trans-166.794177.900000112.3T49T49-G51 PolarHBondContact O-N 3.33Å
52A32.6Very low44Very low104 Ų104123 Ų12386%0.8674%0.739SS**  trans39.4123.5151.600000121.7
53A34.1Very low43.8Very low86 Ų86126 Ų12671%0.71174%0.742SS**  trans84.4117.2133.800000120.9
54T33.3Very low43.8Very low134 Ų134128.6 Ų128.682%0.82275%0.75SS**  trans74.3117.7133.951.30000121.6
55D32.9Very low43.6Very low160 Ų160132.8 Ų132.886%0.85675%0.749SS**  trans100.7141.6131.9-117.5-41.3000120.4
56S38.9Very low43.3Very low87 Ų87128.1 Ų128.161%0.60874%0.738SS**  trans-97.4146-166.6161.90000109.5
57K37.8Very low42.9Very low193 Ų193128.1 Ų128.184%0.83974%0.743SS**SBendtrans87.6115.1165.2-72.3171.8179179.50116.8
58D40.8Very low42.7Very low163 Ų163126.8 Ų126.887%0.87274%0.742SS**  trans7472.1140.7-134.226.8000115.3
59D39.4Very low42.6Very low113 Ų113127.9 Ų127.960%0.60475%0.748SS**  trans-128.346.3176.5-159.510.8000110.9I62D59-I62 VanDerWaalsContact OD1-CB 3.31Å; D59-I62 WeakPolarHBondContact OD1-CB 3.23Å; D59-I62 VanDerWaalsContact OD1-CD1 3.23Å; D59-I62 WeakPolarHBondContact OD1-CD1 3.5Å; D59-I62 WeakPolarHBondContact OD1-CG1 3.31Å
60D48.8Very low42.5Very low145 Ų145131 Ų13178%0.77575%0.753SS**SBendtrans-100.916.4175.1-99.60.6000111.9
61D51.2Low42.7Very low154 Ų154133.3 Ų133.382%0.82476%0.755SS**  trans-142.723.6175-155.526.5000114.9D63D61-D63 PolarHBondContact O-N 3.06Å
62I42.8Very low43.3Very low113 Ų113135.7 Ų135.758%0.57975%0.751SS**  trans-91.591.9163.2-65.6-173.6000108.5D59 L64D59-I62 VanDerWaalsContact OD1-CB 3.31Å; D59-I62 WeakPolarHBondContact OD1-CB 3.23Å; D59-I62 VanDerWaalsContact OD1-CD1 3.23Å; D59-I62 WeakPolarHBondContact OD1-CD1 3.5Å; D59-I62 WeakPolarHBondContact OD1-CG1 3.31Å; I62-L64 HydrophobicContact CG2-CB 4.06Å; I62-L64 HydrophobicContact CG2-CD1 3.55Å; I62-L64 HydrophobicContact CG2-CG 4.39Å; I62-L64 PolarHBondContact O-N 2.95Å
63D60.1Low44.3Very low120 Ų120133.8 Ų133.864%0.64273%0.731SS**  trans-70.583.1161-175.49.7000109.8D61 F65 G66D61-D63 PolarHBondContact O-N 3.06Å; D63-F65 PolarHBondContact O-N 3.32Å; D63-F65 PolarHBondContact OD1-N 3.24Å; D63-F65 VanDerWaalsContact OD1-N 3.13Å; D63-G66 PolarHBondContact O-N 3.13Å; D63-G66 PolarHBondContact OD1-N 3.24Å
64L57.6Low45.3Very low154 Ų154136.8 Ų136.881%0.80673%0.73SS**THydrogen-bonded Turntrans-74.62.7176.5-146.174000113.2I62I62-L64 HydrophobicContact CG2-CB 4.06Å; I62-L64 HydrophobicContact CG2-CD1 3.55Å; I62-L64 HydrophobicContact CG2-CG 4.39Å; I62-L64 PolarHBondContact O-N 2.95Å
65F51.5Low46.1Very low190 Ų190137.8 Ų137.883%0.83373%0.726SS**THydrogen-bonded Turntrans-109.212.4170.7-95.1-84.9000112.6D63 S67D63-F65 PolarHBondContact O-N 3.32Å; D63-F65 PolarHBondContact OD1-N 3.24Å; D63-F65 VanDerWaalsContact OD1-N 3.13Å; F65-S67 PolarHBondContact O-N 2.94Å
66G49.7Very low47.2Very low59 Ų59131.9 Ų131.961%0.60870%0.699SS**  trans-74.836.917400000114.7D63D63-G66 PolarHBondContact O-N 3.13Å; D63-G66 PolarHBondContact OD1-N 3.24Å
67S41.9Very low48.2Very low102 Ų102132.3 Ų132.371%0.71369%0.69SS**  trans-95.9101.6166.868.10000110F65F65-S67 PolarHBondContact O-N 2.94Å
68D41.8Very low49.3Very low157 Ų157129.3 Ų129.384%0.8468%0.677SS**SBendtrans74.798.6149.3-148.138000117.5
69D40.4Very low50.2Low140 Ų140126.9 Ų126.975%0.74966%0.663SS**  -171.2108.1122.8-159.651.5000110.5E71D69-E71 VanDerWaalsContact C-N 3.25Å; D69-E71 PolarHBondContact O-N 3.43Å
70E44.3Very low51.2Low196 Ų196128.2 Ų128.292%0.91666%0.66SS**  trans-81.652.1-174.7-158.3179.1-157.700111.7
71E45.8Very low51.8Low171 Ų171127.6 Ų127.680%0.79965%0.653SS**  trans-135.374171.1-94.8-169.2169.300111.4D69 S73D69-E71 VanDerWaalsContact C-N 3.25Å; D69-E71 PolarHBondContact O-N 3.43Å; E71-S73 PolarHBondContact O-N 3.46Å
72E44.7Very low52.2Low108 Ų108125.9 Ų125.951%0.50564%0.64SS.*  trans-81.792.8-178.3-130.8-179170.100111.3K77 R80E72-K77 HydrophobicContact CG-CG 4.38Å; E72-K77 WeakPolarHBondContact OE1-CE 3.31Å; E72-K77 IonicContact OE1-NZ 4Å; E72-K77 WeakPolarHBondContact OE2-CE 3.39Å; E72-K77 IonicContact OE2-NZ 2.82Å; E72-K77 PolarHBondContact OE2-NZ 3.49Å; E72-R80 IonicContact OE1-NH1 2.95Å; E72-R80 PolarHBondContact OE1-NH1 3.42Å
73S53.3Low52.9Low64 Ų64126.5 Ų126.545%0.44864%0.635SS.*  trans-65.6138.8167101.80000109.9E71 E75 A76E71-S73 PolarHBondContact O-N 3.46Å; S73-E75 PolarHBondContact O-N 2.92Å; S73-E75 PolarHBondContact OG-N 3.18Å; S73-A76 PolarHBondContact O-N 2.95Å
74E54.5Low52.9Low150 Ų150125.8 Ų125.870%0.70163%0.63SS**Hα-helixtrans-54.6-17.9179.2-64-170.6155.500113.5K78E74-K78 WeakPolarHBondContact O-CG 3.37Å; E74-K78 PolarHBondContact O-N 3.45Å
75E50.6Low53.1Low154 Ų154121 Ų12172%0.7261%0.613SS**Hα-helixtrans-76.5-32.9177.7-56.6-169.8142.500112.3S73 K78 L79S73-E75 PolarHBondContact O-N 2.92Å; S73-E75 PolarHBondContact OG-N 3.18Å; E75-K78 PolarHBondContact O-N 3Å; E75-L79 WeakPolarHBondContact O-CB 3.41Å; E75-L79 PolarHBondContact O-N 2.95Å
76A56Low53.4Low37 Ų37115.8 Ų115.831%0.30659%0.591SS.*Hα-helixtrans-71.3-33.1176.100000112S73 L79 R80S73-A76 PolarHBondContact O-N 2.95Å; A76-L79 PolarHBondContact O-N 3.01Å; A76-R80 WeakPolarHBondContact O-CB 3.5Å; A76-R80 WeakPolarHBondContact O-CG 3.05Å; A76-R80 PolarHBondContact O-N 3.47Å
77K59.6Low53.4Low95 Ų95119.6 Ų119.641%0.41359%0.588SS.*Hα-helixtrans-64.4-46.1172.2-69.1-174.4179.1-178.20111.6E72 L79 R80 E81E72-K77 HydrophobicContact CG-CG 4.38Å; E72-K77 WeakPolarHBondContact OE1-CE 3.31Å; E72-K77 IonicContact OE1-NZ 4Å; E72-K77 WeakPolarHBondContact OE2-CE 3.39Å; E72-K77 IonicContact OE2-NZ 2.82Å; E72-K77 PolarHBondContact OE2-NZ 3.49Å; K77-L79 PolarHBondContact O-N 2.76Å; K77-R80 PolarHBondContact O-N 3.21Å; K77-E81 PolarHBondContact O-N 3.25Å
78K61Low54.2Low131 Ų131121.2 Ų121.257%0.5758%0.584SS**Hα-helixtrans-62.6-41.6176.3-70.9175.4-174.8174.30112E74 E75 R80 E81 E82E74-K78 WeakPolarHBondContact O-CG 3.37Å; E74-K78 PolarHBondContact O-N 3.45Å; E75-K78 PolarHBondContact O-N 3Å; K78-R80 PolarHBondContact O-N 3.25Å; K78-E81 PolarHBondContact O-N 2.97Å; K78-E82 VanDerWaalsContact O-CB 3.25Å; K78-E82 WeakPolarHBondContact O-CB 3.49Å; K78-E82 PolarHBondContact O-N 3.49Å
79L59Low55Low111 Ų111116.5 Ų116.558%0.58156%0.564SS**Hα-helixtrans-66.5-36.8177.2-161.382.5000112.1E75 A76 K77 R83E75-L79 WeakPolarHBondContact O-CB 3.41Å; E75-L79 PolarHBondContact O-N 2.95Å; A76-L79 PolarHBondContact O-N 3.01Å; K77-L79 PolarHBondContact O-N 2.76Å; L79-R83 VanDerWaalsContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CB 3.18Å; L79-R83 WeakPolarHBondContact O-CG 3.42Å; L79-R83 PolarHBondContact O-N 3.47Å
80R61.1Low55.8Low142 Ų142115.3 Ų115.354%0.53655%0.552SS.*Hα-helixtrans-67-46.4173.5-77.6-174.2-165.7126.6-1.6111.5E72 A76 K77 K78 E82 R83 L84E72-R80 IonicContact OE1-NH1 2.95Å; E72-R80 PolarHBondContact OE1-NH1 3.42Å; A76-R80 WeakPolarHBondContact O-CB 3.5Å; A76-R80 WeakPolarHBondContact O-CG 3.05Å; A76-R80 PolarHBondContact O-N 3.47Å; K77-R80 PolarHBondContact O-N 3.21Å; K78-R80 PolarHBondContact O-N 3.25Å; R80-E82 VanDerWaalsContact C-N 3.35Å; R80-E82 PolarHBondContact O-N 3.49Å; R80-R83 CarbonylContact O-C 3.56Å; R80-R83 PolarHBondContact O-N 3.17Å; R80-L84 WeakPolarHBondContact O-CB 3.49Å; R80-L84 WeakPolarHBondContact O-CD1 3.1Å; R80-L84 PolarHBondContact O-N 2.79Å
81E61.3Low56.3Low132 Ų132112.5 Ų112.562%0.61754%0.537SS*.Hα-helixtrans-61.3-42.5176.7-77.5179.6168.800111.9K77 K78 R83 L84 A85K77-E81 PolarHBondContact O-N 3.25Å; K78-E81 PolarHBondContact O-N 2.97Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 3.11Å; E81-L84 PolarHBondContact O-N 3.16Å; E81-A85 WeakPolarHBondContact O-CB 3.32Å; E81-A85 PolarHBondContact O-N 3.23Å
82E58.6Low56.6Low118 Ų118108.7 Ų108.755%0.55153%0.529SS*.Hα-helixtrans-66.7-34.3177.9-155.1174-158.200111.3K78 R80 Q86K78-E82 VanDerWaalsContact O-CB 3.25Å; K78-E82 WeakPolarHBondContact O-CB 3.49Å; K78-E82 PolarHBondContact O-N 3.49Å; R80-E82 VanDerWaalsContact C-N 3.35Å; R80-E82 PolarHBondContact O-N 3.49Å; E82-Q86 WeakPolarHBondContact O-CB 3.13Å; E82-Q86 WeakPolarHBondContact O-CG 3.43Å; E82-Q86 PolarHBondContact O-N 3.05Å
83R59.3Low57Low126 Ų126111.3 Ų111.348%0.47554%0.539SS..Hα-helixtrans-71.6-42.2172.3-70.5-78.7-76.1-168.6-4.8111.5L79 R80 E81 Q86 Y87L79-R83 VanDerWaalsContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CB 3.18Å; L79-R83 WeakPolarHBondContact O-CG 3.42Å; L79-R83 PolarHBondContact O-N 3.47Å; R80-R83 CarbonylContact O-C 3.56Å; R80-R83 PolarHBondContact O-N 3.17Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 3.11Å; R83-Q86 CarbonylContact O-C 3.48Å; R83-Q86 WeakPolarHBondContact O-CA 3.25Å; R83-Q86 WeakPolarHBondContact O-CB 3.48Å; R83-Q86 PolarHBondContact O-N 3.32Å; R83-Y87 WeakPolarHBondContact O-CB 3.11Å; R83-Y87 WeakPolarHBondContact O-CD2 3.39Å; R83-Y87 PolarHBondContact O-N 2.73Å
84L59Low56.9Low105 Ų105115.6 Ų115.655%0.5555%0.549SS..Hα-helixtrans-60.8-43.8175.4-91.7139.8000111.2R80 E81 Q86 Y87 E88R80-L84 WeakPolarHBondContact O-CB 3.49Å; R80-L84 WeakPolarHBondContact O-CD1 3.1Å; R80-L84 PolarHBondContact O-N 2.79Å; E81-L84 PolarHBondContact O-N 3.16Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 3.2Å; L84-Y87 CarbonylContact O-C 3.6Å; L84-Y87 WeakPolarHBondContact O-CA 2.77Å; L84-Y87 PolarHBondContact O-N 3.34Å; L84-E88 WeakPolarHBondContact O-CG 3.25Å; L84-E88 PolarHBondContact O-N 2.84Å
85A61.3Low56.6Low54 Ų54114.5 Ų114.545%0.44656%0.555SS.*Hα-helixtrans-64.5-37.2173.300000112.4E81 Y87 S89E81-A85 WeakPolarHBondContact O-CB 3.32Å; E81-A85 PolarHBondContact O-N 3.23Å; A85-Y87 VanDerWaalsContact C-N 3.3Å; A85-Y87 PolarHBondContact O-N 2.87Å; A85-S89 VanDerWaalsContact O-CB 3.32Å; A85-S89 WeakPolarHBondContact O-CB 3.42Å; A85-S89 PolarHBondContact O-N 3.04Å; A85-S89 PolarHBondContact O-OG 2.78Å
86Q58.3Low56.8Low80 Ų80110.3 Ų110.337%0.37455%0.547SS..Hα-helixtrans-68-28.8171.4-74.9175.824.100112.8E82 R83 L84 S89 K90E82-Q86 WeakPolarHBondContact O-CB 3.13Å; E82-Q86 WeakPolarHBondContact O-CG 3.43Å; E82-Q86 PolarHBondContact O-N 3.05Å; R83-Q86 CarbonylContact O-C 3.48Å; R83-Q86 WeakPolarHBondContact O-CA 3.25Å; R83-Q86 WeakPolarHBondContact O-CB 3.48Å; R83-Q86 PolarHBondContact O-N 3.32Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 3.2Å; Q86-S89 WeakPolarHBondContact CA-OG 3.35Å; Q86-S89 PolarHBondContact O-OG 3.3Å; Q86-S89 VanDerWaalsContact O-OG 3.11Å; Q86-K90 WeakPolarHBondContact O-CB 3.42Å; Q86-K90 VanDerWaalsContact O-CD 3.25Å; Q86-K90 WeakPolarHBondContact O-CD 3.32Å; Q86-K90 WeakPolarHBondContact O-CG 3.36Å; Q86-K90 PolarHBondContact O-N 2.82Å
87Y49.2Very low56.7Low138 Ų138115.5 Ų115.554%0.54158%0.575SS.*Hα-helixtrans-81.2-37.2175.7-86.3-74.4000111.8R83 L84 A85 K90 K91R83-Y87 WeakPolarHBondContact O-CB 3.11Å; R83-Y87 WeakPolarHBondContact O-CD2 3.39Å; R83-Y87 PolarHBondContact O-N 2.73Å; L84-Y87 CarbonylContact O-C 3.6Å; L84-Y87 WeakPolarHBondContact O-CA 2.77Å; L84-Y87 PolarHBondContact O-N 3.34Å; A85-Y87 VanDerWaalsContact C-N 3.3Å; A85-Y87 PolarHBondContact O-N 2.87Å; Y87-K90 CarbonylContact O-C 3.49Å; Y87-K90 PolarHBondContact O-N 3.4Å; Y87-K90 VanDerWaalsContact O-N 3.16Å; Y87-K91 WeakPolarHBondContact O-CB 3.11Å; Y87-K91 PolarHBondContact O-N 2.89Å
88E59Low56.8Low136 Ų136113.3 Ų113.364%0.63657%0.569SS**Hα-helixtrans-64.9-43.8172.9-76.5-178.5162.800111.7L84 K90 K91 S92L84-E88 WeakPolarHBondContact O-CG 3.25Å; L84-E88 PolarHBondContact O-N 2.84Å; E88-K90 PolarHBondContact O-N 2.98Å; E88-K91 PolarHBondContact O-N 2.77Å; E88-S92 WeakPolarHBondContact O-CB 3.48Å; E88-S92 PolarHBondContact O-N 3.15Å; E88-S92 PolarHBondContact O-OG 3.3Å
89S58.1Low57.5Low59 Ų59108.4 Ų108.441%0.41355%0.553SS.*Hα-helixtrans-67.8-14.917359.60000114.1A85 Q86 S92A85-S89 VanDerWaalsContact O-CB 3.32Å; A85-S89 WeakPolarHBondContact O-CB 3.42Å; A85-S89 PolarHBondContact O-N 3.04Å; A85-S89 PolarHBondContact O-OG 2.78Å; Q86-S89 WeakPolarHBondContact CA-OG 3.35Å; Q86-S89 PolarHBondContact O-OG 3.3Å; Q86-S89 VanDerWaalsContact O-OG 3.11Å; S89-S92 PolarHBondContact O-OG 2.92Å
90K57.4Low58.7Low115 Ų115107.1 Ų107.150%0.554%0.543SS..Hα-helixtrans-95.5-29.5170.5-74171.8-172.4172.90112.5Q86 Y87 E88 K93Q86-K90 WeakPolarHBondContact O-CB 3.42Å; Q86-K90 VanDerWaalsContact O-CD 3.25Å; Q86-K90 WeakPolarHBondContact O-CD 3.32Å; Q86-K90 WeakPolarHBondContact O-CG 3.36Å; Q86-K90 PolarHBondContact O-N 2.82Å; Y87-K90 CarbonylContact O-C 3.49Å; Y87-K90 PolarHBondContact O-N 3.4Å; Y87-K90 VanDerWaalsContact O-N 3.16Å; E88-K90 PolarHBondContact O-N 2.98Å; K90-K93 WeakPolarHBondContact O-CB 3.41Å; K90-K93 PolarHBondContact O-N 3.45Å
91K54.7Low60Low137 Ų137100.4 Ų100.460%0.59652%0.517SS*.Hα-helixtrans-72.5-32175-149.3176-173176.80110.5Y87 E88 K93 K94Y87-K91 WeakPolarHBondContact O-CB 3.11Å; Y87-K91 PolarHBondContact O-N 2.89Å; E88-K91 PolarHBondContact O-N 2.77Å; K91-K93 PolarHBondContact O-N 3.24Å; K91-K94 PolarHBondContact O-N 3.3Å
92S52.9Low61.3Low91 Ų9194.6 Ų94.664%0.63649%0.491SS*.THydrogen-bonded Turntrans-69.2-10.617068.60000114.4E88 S89E88-S92 WeakPolarHBondContact O-CB 3.48Å; E88-S92 PolarHBondContact O-N 3.15Å; E88-S92 PolarHBondContact O-OG 3.3Å; S89-S92 PolarHBondContact O-OG 2.92Å
93K52.4Low62.8Low163 Ų16389 Ų8971%0.70947%0.465SS*.THydrogen-bonded Turntrans-87.92173.6-70.4176.2-179.2177.70113.9K90 K91 P95K90-K93 WeakPolarHBondContact O-CB 3.41Å; K90-K93 PolarHBondContact O-N 3.45Å; K91-K93 PolarHBondContact O-N 3.24Å; K93-P95 WeakPolarHBondContact O-CD 3.47Å
94K50.9Low64.4Low154 Ų15485 Ų8567%0.6745%0.453SS*.SBendtrans-68.1119.5160.5-68.4-173.5-177.7-177.30106.1K91 A96K91-K94 PolarHBondContact O-N 3.3Å; K94-A96 PolarHBondContact O-N 2.74Å
95P48.3Very low66Low126 Ų12680 Ų8082%0.81843%0.427SS*.  trans-68.391.1179.428.5-31.8000107.3K93K93-P95 WeakPolarHBondContact O-CD 3.47Å
96A54.9Low67.4Low67 Ų6778.1 Ų78.155%0.55441%0.409SS*.  trans-53.1146153.700000106.4K94 V98K94-A96 PolarHBondContact O-N 2.74Å; A96-V98 VanDerWaalsContact O-CG2 3.32Å; A96-V98 WeakPolarHBondContact O-CG2 3.32Å; A96-V98 PolarHBondContact O-N 2.69Å
97V55.3Low68.9Low146 Ų14674.3 Ų74.389%0.88539%0.391SS*.  trans-66.185.5175.61790000106.6A99V97-A99 PolarHBondContact O-N 3.06Å
98V60.3Low70.8Confident48 Ų4870.7 Ų70.729%0.29138%0.379SS..  trans-70.8106.6-178.6-172.80000106A96 K100 E155A96-V98 VanDerWaalsContact O-CG2 3.32Å; A96-V98 WeakPolarHBondContact O-CG2 3.32Å; A96-V98 PolarHBondContact O-N 2.69Å; V98-K100 HydrophobicContact CG1-CG 4.44Å; V98-K100 PolarHBondContact O-N 2.79Å; V98-E155 HydrophobicContact CG1-CB 3.55Å; V98-E155 HydrophobicContact CG1-CG 3.54Å
99A76.4Confident72.3Confident28 Ų2864.4 Ų64.423%0.23135%0.349CS..  trans-62.6124.417000000107.4V97 D156V97-A99 PolarHBondContact O-N 3.06Å; A99-D156 HydrophobicContact CB-CB 4.32Å; A99-D156 WeakPolarHBondContact CB-OD2 3.39Å; A99-D156 PolarHBondContact O-N 3.29Å
100K84.1Confident73.6Confident85 Ų8568.5 Ų68.537%0.3736%0.356SS..EExtended strand (participates in β ladder)trans-109.7144.7178.8-71.7176.9-170.8-177.10108V98 V153 V154 E155 I186V98-K100 HydrophobicContact CG1-CG 4.44Å; V98-K100 PolarHBondContact O-N 2.79Å; K100-V153 HydrophobicContact CB-CG1 4.29Å; K100-V153 HydrophobicContact CD-CG1 4.44Å; K100-V154 CarbonylContact C-O 3.58Å; K100-V154 VanDerWaalsContact CA-O 3.26Å; K100-V154 WeakPolarHBondContact CA-O 3.43Å; K100-E155 HydrophobicContact CG-CG 4.26Å; K100-I186 HydrophobicContact CB-CD1 3.78Å; K100-I186 HydrophobicContact CB-CG1 3.55Å; K100-I186 PolarHBondContact N-O 3.3Å; K100-I186 WeakPolarHBondContact O-CG1 3.45Å; K100-I186 PolarHBondContact O-N 3.15Å
101S87.6Confident74.9Confident0 Ų066.7 Ų66.70%035%0.352CS..EExtended strand (participates in β ladder)trans-123.5129.3173.4-64.60000109V153 V154 D156 F183 N184S101-V153 WeakPolarHBondContact O-CA 3.47Å; S101-V154 PolarHBondContact N-O 2.82Å; S101-V154 WeakPolarHBondContact O-CG2 3.49Å; S101-V154 PolarHBondContact O-N 2.83Å; S101-D156 WeakPolarHBondContact CB-OD1 3.18Å; S101-D156 VanDerWaalsContact OG-CG 3.28Å; S101-D156 PolarHBondContact OG-OD1 3.14Å; S101-D156 PolarHBondContact OG-OD2 3.26Å; S101-F183 VanDerWaalsContact CB-CZ 3.49Å; S101-F183 WeakPolarHBondContact OG-CZ 3.1Å; S101-N184 CarbonylContact C-O 3.54Å; S101-N184 WeakPolarHBondContact CA-O 3.4Å
102S90Very high76Confident10 Ų1064.5 Ų64.57%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-91.8114.4168.8-178.40000108.8Q151 C152 N184S102-Q151 PolarHBondContact OG-NE2 3.42Å; S102-C152 CarbonylContact C-O 3.56Å; S102-C152 WeakPolarHBondContact CA-O 3.34Å; S102-N184 PolarHBondContact N-O 2.99Å; S102-N184 PolarHBondContact O-N 2.57Å
103I90.3Very high77.2Confident1 Ų168.5 Ų68.51%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-109.4139.5-178.2-47.3177.8000108.4L105 Q151 C152 V154 T161 V180 F183I103-L105 HydrophobicContact CG2-CD2 3.6Å; I103-L105 HydrophobicContact CG2-CG 4.12Å; I103-Q151 WeakPolarHBondContact O-CA 3.33Å; I103-C152 PolarHBondContact N-O 3.37Å; I103-C152 PolarHBondContact O-N 3.35Å; I103-V154 HydrophobicContact CD1-CG1 4.39Å; I103-V154 HydrophobicContact CD1-CG2 3.63Å; I103-V154 HydrophobicContact CG1-CG2 4.17Å; I103-T161 HydrophobicContact CD1-CG2 3.36Å; I103-V180 HydrophobicContact CG2-CG1 4.01Å; I103-F183 HydrophobicContact CD1-CD2 4.06Å; I103-F183 HydrophobicContact CD1-CE2 3.94Å; I103-F183 HydrophobicContact CG1-CD2 3.72Å; I103-F183 HydrophobicContact CG1-CE2 3.89Å
104L92.4Very high78.4Confident41 Ų4161.9 Ų61.922%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-111.4112.6177.4-139.1179.6000107.8Q149 A181 A182L104-Q149 HydrophobicContact CD2-CB 4.5Å; L104-Q149 HydrophobicContact CD2-CG 3.13Å; L104-A181 HydrophobicContact CB-CB 4.39Å; L104-A181 HydrophobicContact CD2-CB 4.4Å; L104-A181 WeakPolarHBondContact O-CB 3.42Å; L104-A181 PolarHBondContact O-N 3.28Å; L104-A182 HydrophobicContact CB-CB 3.86Å; L104-A182 HydrophobicContact CD1-CB 4.37Å; L104-A182 PolarHBondContact N-O 3.07Å; L104-A182 PolarHBondContact O-N 3.28Å
105L91.3Very high80Confident2 Ų258 Ų581%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-106.6128.5-173.2-60.8178.9000110.1I103 W133 Q149 I150 I168 M178 V180I103-L105 HydrophobicContact CG2-CD2 3.6Å; I103-L105 HydrophobicContact CG2-CG 4.12Å; L105-W133 HydrophobicContact CD1-CH2 4.45Å; L105-W133 HydrophobicContact CD1-CZ3 4.3Å; L105-Q149 CarbonylContact O-C 3.58Å; L105-Q149 WeakPolarHBondContact O-CA 3.46Å; L105-I150 HydrophobicContact CB-CG2 3.97Å; L105-I150 PolarHBondContact N-O 3.17Å; L105-I150 PolarHBondContact O-N 2.98Å; L105-I168 HydrophobicContact CD1-CD1 3.84Å; L105-M178 HydrophobicContact CD1-CE 4.16Å; L105-M178 HydrophobicContact CD2-CE 3.28Å; L105-M178 HydrophobicContact CG-CE 4.27Å; L105-V180 HydrophobicContact CD2-CG2 4.17Å
106D91.7Very high81.5Confident13 Ų1353.5 Ų53.57%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-101.9115171.7-82.42.8000108.3K147 L148 Q149 M178 D179 A181D106-K147 HydrophobicContact CB-CD 4.36Å; D106-K147 WeakPolarHBondContact OD2-CE 3.39Å; D106-K147 IonicContact OD2-NZ 3.93Å; D106-K147 PolarHBondContact OD2-NZ 3.02Å; D106-L148 CarbonylContact C-O 3.56Å; D106-L148 WeakPolarHBondContact CA-O 3.35Å; D106-Q149 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q149 WeakPolarHBondContact OD1-CG 3.08Å; D106-M178 WeakPolarHBondContact O-CA 3.34Å; D106-D179 HydrophobicContact CB-CB 4.3Å; D106-D179 PolarHBondContact N-O 2.84Å; D106-D179 PolarHBondContact O-N 2.99Å; D106-A181 HydrophobicContact CB-CB 4.4Å
107V89.6Confident83Confident0 Ų053.5 Ų53.50%028%0.283CS..EExtended strand (participates in β ladder)trans-105.3120176.6-170.80000108.7L119 L148 I168 V175V107-L119 HydrophobicContact CB-CD2 4.27Å; V107-L119 HydrophobicContact CG1-CD1 4.43Å; V107-L119 HydrophobicContact CG1-CD2 3.88Å; V107-L148 HydrophobicContact CB-CB 4.38Å; V107-L148 PolarHBondContact N-O 3.4Å; V107-L148 PolarHBondContact O-N 3.13Å; V107-I168 HydrophobicContact CG1-CG2 4.26Å; V107-I168 HydrophobicContact CG2-CG2 4.08Å; V107-V175 HydrophobicContact CG1-CB 4.14Å; V107-V175 HydrophobicContact CG1-CG1 3.57Å; V107-V175 HydrophobicContact CG1-CG2 3.54Å
108K89.7Confident84.4Confident63 Ų6351.3 Ų51.327%0.27426%0.262SS..EExtended strand (participates in β ladder)trans-97.3122.7179.5-64.5-166.2-176.7900109.8K147 Q176 S177 D179K108-K147 HydrophobicContact CG-CB 4.42Å; K108-Q176 WeakPolarHBondContact O-CB 3.35Å; K108-Q176 PolarHBondContact O-N 3.48Å; K108-S177 PolarHBondContact N-O 2.98Å; K108-S177 PolarHBondContact O-N 2.92Å; K108-D179 IonicContact NZ-OD1 2.57Å; K108-D179 IonicContact NZ-OD2 2.72Å; K108-D179 PolarHBondContact NZ-OD2 3.19Å
109P90.1Very high85.7Confident3 Ų349.1 Ų49.12%0.01925%0.248CC..EExtended strand (participates in β ladder)trans-76167.9171.333.8-35.5000111.3T114 M116 L119 I145 K146 Y174P109-T114 HydrophobicContact CB-CG2 4.1Å; P109-M116 HydrophobicContact CB-SD 4.32Å; P109-M116 HydrophobicContact CG-CE 4.28Å; P109-M116 HydrophobicContact CG-SD 3.94Å; P109-L119 HydrophobicContact CB-CD1 4.11Å; P109-I145 HydrophobicContact CG-CG2 4.33Å; P109-K146 WeakPolarHBondContact CD-O 3.44Å; P109-K146 WeakPolarHBondContact CG-O 3.26Å; P109-Y174 WeakPolarHBondContact CA-O 3.31Å
110W85.4Confident86.2Confident145 Ų14550.1 Ų50.155%0.54925%0.248SC..SBendtrans-67.5-41.8175.3-76.2102.5000113.3E172 V175 Q176W110-E172 PolarHBondContact NE1-O 3.32Å; W110-V175 PolarHBondContact NE1-O 3.12Å; W110-Q176 HydrophobicContact CD2-CB 3.95Å; W110-Q176 HydrophobicContact CD2-CG 4.22Å; W110-Q176 HydrophobicContact CE3-CB 4.25Å; W110-Q176 HydrophobicContact CE3-CG 4.02Å; W110-Q176 HydrophobicContact CG-CB 4.24Å; W110-Q176 HydrophobicContact CH2-CG 4.31Å; W110-Q176 HydrophobicContact CZ2-CG 4.49Å; W110-Q176 HydrophobicContact CZ3-CG 4.08Å
111D83.8Confident86.4Confident77 Ų7752.6 Ų52.641%0.41226%0.261SS..SBendtrans-155.7169.4-177.5-155.44.9000113E113 T114D111-E113 PolarHBondContact O-N 3.29Å; D111-T114 PolarHBondContact N-OG1 2.79Å; D111-T114 VanDerWaalsContact O-CB 3.31Å; D111-T114 WeakPolarHBondContact O-CB 3.48Å; D111-T114 PolarHBondContact O-N 2.74Å; D111-T114 VanDerWaalsContact O-N 3.12Å; D111-T114 PolarHBondContact O-OG1 2.89Å
112D79.3Confident86.4Confident91 Ų9154 Ų5449%0.48727%0.271SS..THydrogen-bonded Turntrans-67.5-15.7179.574.4-14.8000114.7T114 I145D112-T114 VanDerWaalsContact C-N 3.3Å; D112-I145 HydrophobicContact CB-CG1 4.37Å
113E76.9Confident86.3Confident175 Ų17553.6 Ų53.682%0.81827%0.268SS*.THydrogen-bonded Turntrans-76.9-12.2170.9-64.2-166.715900113.6D111 D115D111-E113 PolarHBondContact O-N 3.29Å; E113-D115 PolarHBondContact O-N 2.86Å
114T79.2Confident86.2Confident25 Ų2557.6 Ų57.615%0.15328%0.283CS..SBendtrans-68.8129.7-178.5-450000110.8P109 D111 D112 M116 Y174P109-T114 HydrophobicContact CB-CG2 4.1Å; D111-T114 PolarHBondContact N-OG1 2.79Å; D111-T114 VanDerWaalsContact O-CB 3.31Å; D111-T114 WeakPolarHBondContact O-CB 3.48Å; D111-T114 PolarHBondContact O-N 2.74Å; D111-T114 VanDerWaalsContact O-N 3.12Å; D111-T114 PolarHBondContact O-OG1 2.89Å; D112-T114 VanDerWaalsContact C-N 3.3Å; T114-M116 PolarHBondContact O-N 3.39Å; T114-Y174 HydrophobicContact CG2-CD1 3.9Å
115D83.4Confident86Confident71 Ų7159 Ų5938%0.3830%0.296SS..  trans-70.1100.4179.2-170.8-12.4000111.2E113 A117 K118 L119E113-D115 PolarHBondContact O-N 2.86Å; D115-A117 PolarHBondContact O-N 3.16Å; D115-A117 WeakPolarHBondContact OD1-CB 3.17Å; D115-A117 PolarHBondContact OD1-N 2.63Å; D115-K118 HydrophobicContact CB-CB 4.19Å; D115-K118 HydrophobicContact CB-CD 3.99Å; D115-K118 HydrophobicContact CB-CG 4.17Å; D115-K118 PolarHBondContact O-N 2.74Å; D115-K118 WeakPolarHBondContact OD2-CD 3.35Å; D115-K118 WeakPolarHBondContact OD2-CE 3.43Å; D115-K118 WeakPolarHBondContact OD2-CG 3.48Å; D115-K118 IonicContact OD2-NZ 3.69Å; D115-L119 PolarHBondContact O-N 2.61Å
116M80.9Confident85.8Confident33 Ų3359.6 Ų59.616%0.16330%0.299CS..Hα-helixtrans-62-27.2-178.8-59.2-55.3-7000113P109 T114 E120 L138 K146 L148P109-M116 HydrophobicContact CB-SD 4.32Å; P109-M116 HydrophobicContact CG-CE 4.28Å; P109-M116 HydrophobicContact CG-SD 3.94Å; T114-M116 PolarHBondContact O-N 3.39Å; M116-E120 PolarHBondContact O-N 2.82Å; M116-E120 VanDerWaalsContact O-N 3.07Å; M116-L138 HydrophobicContact CB-CD1 4.41Å; M116-L138 HydrophobicContact CB-CD2 4.14Å; M116-L138 HydrophobicContact CE-CD2 3.51Å; M116-L138 HydrophobicContact CG-CD2 4.35Å; M116-K146 VanDerWaalsContact CE-O 3.28Å; M116-K146 WeakPolarHBondContact CE-O 3.17Å; M116-L148 HydrophobicContact CE-CB 4.01Å
117A85.2Confident85.3Confident66 Ų6667.4 Ų67.455%0.54534%0.335SS..Hα-helixtrans-72-41.2178.600000110.9D115 E120 E121D115-A117 PolarHBondContact O-N 3.16Å; D115-A117 WeakPolarHBondContact OD1-CB 3.17Å; D115-A117 PolarHBondContact OD1-N 2.63Å; A117-E120 PolarHBondContact O-N 2.86Å; A117-E121 WeakPolarHBondContact O-CB 3.49Å; A117-E121 PolarHBondContact O-N 3.32Å
118K85.8Confident84.9Confident101 Ų10169.3 Ų69.344%0.43935%0.347SS..Hα-helixtrans-66.2-39.5173.9-70.6178.4-171.1164.60112D115 E120 E121 C122D115-K118 HydrophobicContact CB-CB 4.19Å; D115-K118 HydrophobicContact CB-CD 3.99Å; D115-K118 HydrophobicContact CB-CG 4.17Å; D115-K118 PolarHBondContact O-N 2.74Å; D115-K118 WeakPolarHBondContact OD2-CD 3.35Å; D115-K118 WeakPolarHBondContact OD2-CE 3.43Å; D115-K118 WeakPolarHBondContact OD2-CG 3.48Å; D115-K118 IonicContact OD2-NZ 3.69Å; K118-E120 VanDerWaalsContact C-N 3.33Å; K118-E120 PolarHBondContact O-N 2.81Å; K118-E121 PolarHBondContact O-N 2.99Å; K118-C122 WeakPolarHBondContact O-CB 3.31Å; K118-C122 PolarHBondContact O-N 3.29Å; K118-C122 PolarHBondContact O-SG 3.33Å
119L85.8Confident84.4Confident1 Ų171.8 Ų71.81%0.00536%0.363CS..Hα-helixtrans-59.8-46.4175.8-166.3161.6000110.4V107 P109 D115 E121 C122 V123 L148 Y174 V175V107-L119 HydrophobicContact CB-CD2 4.27Å; V107-L119 HydrophobicContact CG1-CD1 4.43Å; V107-L119 HydrophobicContact CG1-CD2 3.88Å; P109-L119 HydrophobicContact CB-CD1 4.11Å; D115-L119 PolarHBondContact O-N 2.61Å; L119-E121 VanDerWaalsContact C-N 3.34Å; L119-E121 PolarHBondContact O-N 2.97Å; L119-C122 PolarHBondContact O-N 2.87Å; L119-V123 HydrophobicContact CD2-CG2 4Å; L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 3Å; L119-L148 HydrophobicContact CD2-CB 4.2Å; L119-L148 HydrophobicContact CD2-CD2 3.41Å; L119-L148 VanDerWaalsContact CD2-CD2 3.41Å; L119-L148 HydrophobicContact CD2-CG 4.43Å; L119-Y174 WeakPolarHBondContact CD1-O 3.37Å; L119-V175 HydrophobicContact CD1-CG2 4.35Å; L119-V175 HydrophobicContact CG-CG2 4.37Å
120E87.3Confident84Confident49 Ų4972.2 Ų72.223%0.22937%0.368CS..Hα-helixtrans-61.6-41.9175.2-176.4176162.800112.2M116 A117 K118 V123 R124 S136 L148M116-E120 PolarHBondContact O-N 2.82Å; M116-E120 VanDerWaalsContact O-N 3.07Å; A117-E120 PolarHBondContact O-N 2.86Å; K118-E120 VanDerWaalsContact C-N 3.33Å; K118-E120 PolarHBondContact O-N 2.81Å; E120-V123 PolarHBondContact O-N 3.21Å; E120-R124 HydrophobicContact CG-CG 4.35Å; E120-R124 WeakPolarHBondContact O-CB 3.38Å; E120-R124 VanDerWaalsContact O-CG 3.31Å; E120-R124 WeakPolarHBondContact O-CG 3.23Å; E120-R124 PolarHBondContact O-N 3.24Å; E120-R124 IonicContact OE1-CZ 3.19Å; E120-R124 IonicContact OE1-NE 2.75Å; E120-R124 PolarHBondContact OE1-NE 2.81Å; E120-R124 IonicContact OE1-NH2 2.78Å; E120-R124 PolarHBondContact OE1-NH2 2.78Å; E120-S136 PolarHBondContact OE1-OG 2.95Å; E120-S136 PolarHBondContact OE2-OG 3.36Å; E120-L148 HydrophobicContact CB-CD2 4.1Å
121E89.1Confident84Confident138 Ų13866.2 Ų66.265%0.64535%0.347SS*.Hα-helixtrans-62.9-43.6176.9-169.6174-169.200111.9A117 K118 L119 R124 S125A117-E121 WeakPolarHBondContact O-CB 3.49Å; A117-E121 PolarHBondContact O-N 3.32Å; K118-E121 PolarHBondContact O-N 2.99Å; L119-E121 VanDerWaalsContact C-N 3.34Å; L119-E121 PolarHBondContact O-N 2.97Å; E121-R124 CarbonylContact O-C 3.5Å; E121-R124 PolarHBondContact O-N 3.37Å; E121-S125 WeakPolarHBondContact O-CB 3.36Å; E121-S125 PolarHBondContact O-N 2.75Å
122C86.8Confident84.2Confident30 Ų3067 Ų6720%0.20335%0.354CS..Hα-helixtrans-59.9-46.9174.3-71.40000111.4K118 L119 R124 S125 F171K118-C122 WeakPolarHBondContact O-CB 3.31Å; K118-C122 PolarHBondContact O-N 3.29Å; K118-C122 PolarHBondContact O-SG 3.33Å; L119-C122 PolarHBondContact O-N 2.87Å; C122-R124 PolarHBondContact O-N 3.37Å; C122-S125 WeakPolarHBondContact O-CB 3.21Å; C122-S125 PolarHBondContact O-N 2.8Å; C122-S125 PolarHBondContact O-OG 2.78Å; C122-F171 HydrophobicContact CB-CD1 4.21Å; C122-F171 HydrophobicContact CB-CE1 4.11Å; C122-F171 HydrophobicContact CB-CE2 4.42Å; C122-F171 HydrophobicContact CB-CG 4.41Å; C122-F171 HydrophobicContact CB-CZ 4.21Å
123V87.6Confident84.8Confident1 Ų164.6 Ų64.61%0.00634%0.338CS..Hα-helixtrans-63.6-43.5177.6174.90000110.8L119 E120 S125 I126 W133 I150L119-V123 HydrophobicContact CD2-CG2 4Å; L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 3Å; E120-V123 PolarHBondContact O-N 3.21Å; V123-S125 VanDerWaalsContact C-N 3.26Å; V123-S125 PolarHBondContact O-N 2.87Å; V123-I126 WeakPolarHBondContact O-CB 3.39Å; V123-I126 PolarHBondContact O-N 2.98Å; V123-W133 HydrophobicContact CG1-CD2 4.5Å; V123-W133 HydrophobicContact CG1-CE3 4.17Å; V123-W133 HydrophobicContact CG1-CH2 3.41Å; V123-W133 VanDerWaalsContact CG1-CH2 3.41Å; V123-W133 HydrophobicContact CG1-CZ2 3.77Å; V123-W133 HydrophobicContact CG1-CZ3 3.63Å; V123-W133 VanDerWaalsContact O-CE2 3.27Å; V123-W133 VanDerWaalsContact O-CZ2 3.23Å; V123-W133 WeakPolarHBondContact O-CZ2 3.19Å; V123-W133 PolarHBondContact O-NE1 2.81Å; V123-I150 HydrophobicContact CG1-CD1 3.96Å; V123-I150 HydrophobicContact CG1-CG2 4.36Å
124R88.2Confident85.4Confident85 Ų8557.5 Ų57.532%0.32131%0.312SS..Hα-helixtrans-68.8-22.8176.9-71.9-177-174.6-73.2-3.3113.7E120 E121 C122 I126 G134 S136E120-R124 HydrophobicContact CG-CG 4.35Å; E120-R124 WeakPolarHBondContact O-CB 3.38Å; E120-R124 VanDerWaalsContact O-CG 3.31Å; E120-R124 WeakPolarHBondContact O-CG 3.23Å; E120-R124 PolarHBondContact O-N 3.24Å; E120-R124 IonicContact OE1-CZ 3.19Å; E120-R124 IonicContact OE1-NE 2.75Å; E120-R124 PolarHBondContact OE1-NE 2.81Å; E120-R124 IonicContact OE1-NH2 2.78Å; E120-R124 PolarHBondContact OE1-NH2 2.78Å; E121-R124 CarbonylContact O-C 3.5Å; E121-R124 PolarHBondContact O-N 3.37Å; C122-R124 PolarHBondContact O-N 3.37Å; R124-I126 PolarHBondContact O-N 2.85Å; R124-G134 PolarHBondContact NH1-O 3.06Å; R124-G134 PolarHBondContact NH2-O 3.2Å; R124-S136 PolarHBondContact NH2-OG 3.47Å
125S89Confident85.9Confident70 Ų7060.2 Ų60.249%0.4933%0.332SS..Hα-helixtrans-68.6-19.7176.880.10000112.9E121 C122 V123 Q127E121-S125 WeakPolarHBondContact O-CB 3.36Å; E121-S125 PolarHBondContact O-N 2.75Å; C122-S125 WeakPolarHBondContact O-CB 3.21Å; C122-S125 PolarHBondContact O-N 2.8Å; C122-S125 PolarHBondContact O-OG 2.78Å; V123-S125 VanDerWaalsContact C-N 3.26Å; V123-S125 PolarHBondContact O-N 2.87Å; S125-Q127 PolarHBondContact O-N 2.86Å
126I86.7Confident86.3Confident15 Ų1558.6 Ų58.68%0.07733%0.326CS..  trans-67103.6173.7-58165.3000108.2V123 R124 V128 L131 W133 R167 I168 F171V123-I126 WeakPolarHBondContact O-CB 3.39Å; V123-I126 PolarHBondContact O-N 2.98Å; R124-I126 PolarHBondContact O-N 2.85Å; I126-V128 HydrophobicContact CG2-CG2 3.92Å; I126-L131 HydrophobicContact CG2-CD2 4.02Å; I126-W133 HydrophobicContact CB-CZ2 4.14Å; I126-W133 HydrophobicContact CD1-CZ2 4.31Å; I126-W133 PolarHBondContact O-NE1 2.81Å; I126-R167 HydrophobicContact CD1-CB 3.87Å; I126-R167 HydrophobicContact CG1-CB 4.33Å; I126-R167 HydrophobicContact CG2-CB 4.29Å; I126-R167 HydrophobicContact CG2-CG 4.47Å; I126-I168 HydrophobicContact CD1-CG1 3.68Å; I126-F171 HydrophobicContact CD1-CE2 4.06Å; I126-F171 HydrophobicContact CG1-CE2 4.12Å
127Q81.5Confident86.8Confident177 Ų17762.2 Ų62.283%0.82734%0.341SS*.  trans-105.2119174.3-68.4-178.44.400109.5S125S125-Q127 PolarHBondContact O-N 2.86Å
128V81.6Confident87Confident39 Ų3963 Ų6324%0.23634%0.336CS..  trans-135.8141.7176.8-1710000107.9I126 G130 L131 V159 M163I126-V128 HydrophobicContact CG2-CG2 3.92Å; V128-G130 PolarHBondContact O-N 3.27Å; V128-L131 HydrophobicContact CB-CB 3.96Å; V128-L131 HydrophobicContact CB-CD2 4.26Å; V128-L131 HydrophobicContact CG2-CD2 4.16Å; V128-L131 WeakPolarHBondContact O-CB 3.43Å; V128-L131 PolarHBondContact O-N 3.48Å; V128-L131 VanDerWaalsContact O-N 3.07Å; V128-V159 HydrophobicContact CG1-CG2 3.85Å; V128-M163 HydrophobicContact CG1-CE 4.2Å; V128-M163 HydrophobicContact CG2-CE 3.52Å; V128-M163 HydrophobicContact CG2-SD 4.02Å
129D79Confident87.1Confident115 Ų11560 Ų6062%0.61533%0.326SS*.THydrogen-bonded Turntrans-62.4123.8175.4-176.336.7000110K158 V159D129-K158 IonicContact OD1-NZ 3.85Å; D129-K158 IonicContact OD2-NZ 2.79Å; D129-K158 PolarHBondContact OD2-NZ 3.41Å; D129-V159 WeakPolarHBondContact O-CG2 3.41Å
130G81.2Confident87.3Confident13 Ų1364.7 Ų64.713%0.13436%0.357CS..THydrogen-bonded Turntrans87.61.8-174.800000115.6V128 V154 E155V128-G130 PolarHBondContact O-N 3.27Å; G130-V154 CarbonylContact O-C 3.51Å; G130-V154 WeakPolarHBondContact O-CA 3.44Å; G130-E155 PolarHBondContact O-N 2.78Å
131L86.1Confident87.1Confident19 Ų1966.7 Ų66.710%0.09937%0.372CS..EExtended strand (participates in β ladder)trans-100.7124.7172.8178.967.8000111I126 V128 W133 C152 V154 V159 L164I126-L131 HydrophobicContact CG2-CD2 4.02Å; V128-L131 HydrophobicContact CB-CB 3.96Å; V128-L131 HydrophobicContact CB-CD2 4.26Å; V128-L131 HydrophobicContact CG2-CD2 4.16Å; V128-L131 WeakPolarHBondContact O-CB 3.43Å; V128-L131 PolarHBondContact O-N 3.48Å; V128-L131 VanDerWaalsContact O-N 3.07Å; L131-W133 HydrophobicContact CD2-CZ2 3.76Å; L131-W133 HydrophobicContact CG-CZ2 4.49Å; L131-C152 HydrophobicContact CD1-CB 3.98Å; L131-V154 HydrophobicContact CD1-CG1 3.66Å; L131-V159 HydrophobicContact CB-CG2 4.5Å; L131-L164 HydrophobicContact CD1-CD1 4.01Å; L131-L164 HydrophobicContact CD1-CD2 3.73Å; L131-L164 HydrophobicContact CD2-CD2 3.56Å; L131-L164 HydrophobicContact CG-CD2 4.26Å
132V88.4Confident86.8Confident93 Ų9361.6 Ų61.656%0.56436%0.356SS*.EExtended strand (participates in β ladder)trans-124119.3174.3-179.30000109.8C152 V153V132-C152 CarbonylContact O-C 3.54Å; V132-C152 WeakPolarHBondContact O-CA 3.27Å; V132-V153 HydrophobicContact CB-CB 4.35Å; V132-V153 PolarHBondContact N-O 3.36Å; V132-V153 PolarHBondContact O-N 2.79Å
133W91.4Very high86.4Confident40 Ų4071.2 Ų71.215%0.15239%0.39CS..EExtended strand (participates in β ladder)trans-77.3129.9173.8-65.8110.2000111.2L105 V123 I126 L131 I150 C152 I168L105-W133 HydrophobicContact CD1-CH2 4.45Å; L105-W133 HydrophobicContact CD1-CZ3 4.3Å; V123-W133 HydrophobicContact CG1-CD2 4.5Å; V123-W133 HydrophobicContact CG1-CE3 4.17Å; V123-W133 HydrophobicContact CG1-CH2 3.41Å; V123-W133 VanDerWaalsContact CG1-CH2 3.41Å; V123-W133 HydrophobicContact CG1-CZ2 3.77Å; V123-W133 HydrophobicContact CG1-CZ3 3.63Å; V123-W133 VanDerWaalsContact O-CE2 3.27Å; V123-W133 VanDerWaalsContact O-CZ2 3.23Å; V123-W133 WeakPolarHBondContact O-CZ2 3.19Å; V123-W133 PolarHBondContact O-NE1 2.81Å; I126-W133 HydrophobicContact CB-CZ2 4.14Å; I126-W133 HydrophobicContact CD1-CZ2 4.31Å; I126-W133 PolarHBondContact O-NE1 2.81Å; L131-W133 HydrophobicContact CD2-CZ2 3.76Å; L131-W133 HydrophobicContact CG-CZ2 4.49Å; W133-I150 HydrophobicContact CD2-CD1 4.34Å; W133-I150 HydrophobicContact CE3-CD1 3.61Å; W133-I150 HydrophobicContact CE3-CG1 3.97Å; W133-I150 HydrophobicContact CZ3-CD1 4.06Å; W133-I150 HydrophobicContact CZ3-CG1 4.31Å; W133-I150 HydrophobicContact CZ3-CG2 4.08Å; W133-C152 HydrophobicContact CD2-CB 4.46Å; W133-C152 HydrophobicContact CE3-CB 3.66Å; W133-C152 HydrophobicContact CH2-CB 4.47Å; W133-C152 HydrophobicContact CZ3-CB 3.67Å; W133-I168 HydrophobicContact CH2-CD1 4.16Å
134G89.3Confident86Confident27 Ų2773.5 Ų73.528%0.27841%0.414SS..EExtended strand (participates in β ladder)trans-97.9-149.6177.300000113.1R124 Q151R124-G134 PolarHBondContact NH1-O 3.06Å; R124-G134 PolarHBondContact NH2-O 3.2Å; G134-Q151 WeakPolarHBondContact CA-O 3.47Å; G134-Q151 PolarHBondContact N-O 3.03Å
135S90.5Very high85.9Confident82 Ų8272.1 Ų72.157%0.57341%0.412SS*.EExtended strand (participates in β ladder)trans-71.8138.5176.956.20000111.7Q151S135-Q151 PolarHBondContact O-N 3.44Å
136S90.9Very high85.8Confident36 Ų3673.8 Ų73.825%0.25241%0.411SS..EExtended strand (participates in β ladder)trans-102.9150.6167.753.80000110.1E120 R124 Q149E120-S136 PolarHBondContact OE1-OG 2.95Å; E120-S136 PolarHBondContact OE2-OG 3.36Å; R124-S136 PolarHBondContact NH2-OG 3.47Å; S136-Q149 CarbonylContact C-O 3.53Å; S136-Q149 WeakPolarHBondContact CA-O 3.42Å
137K90.8Very high86Confident110 Ų11075.2 Ų75.248%0.47842%0.416SS..EExtended strand (participates in β ladder)trans-142.8145.4169.666-179.4-179169.90109.6V139 Q149K137-V139 HydrophobicContact CD-CG2 4.24Å; K137-V139 HydrophobicContact CG-CG2 4.13Å; K137-Q149 HydrophobicContact CD-CG 4.48Å; K137-Q149 HydrophobicContact CG-CB 3.83Å; K137-Q149 HydrophobicContact CG-CG 4.14Å; K137-Q149 PolarHBondContact N-O 3.06Å; K137-Q149 WeakPolarHBondContact O-CA 3.35Å; K137-Q149 PolarHBondContact O-N 3Å
138L89.4Confident86.4Confident82 Ų8266.8 Ų66.843%0.42938%0.377SS..EExtended strand (participates in β ladder)trans-94.6121.2174.9-63.1172.8000109M116 L148M116-L138 HydrophobicContact CB-CD1 4.41Å; M116-L138 HydrophobicContact CB-CD2 4.14Å; M116-L138 HydrophobicContact CE-CD2 3.51Å; M116-L138 HydrophobicContact CG-CD2 4.35Å; L138-L148 HydrophobicContact CD2-CB 4.29Å; L138-L148 HydrophobicContact CD2-CD1 3.64Å
139V88.8Confident86.9Confident39 Ų3966.1 Ų66.124%0.23637%0.371CS..EExtended strand (participates in β ladder)trans-110.9122.8179.3-178.50000109.2K137 K146 K147 Q149K137-V139 HydrophobicContact CD-CG2 4.24Å; K137-V139 HydrophobicContact CG-CG2 4.13Å; V139-K146 CarbonylContact O-C 3.58Å; V139-K146 WeakPolarHBondContact O-CA 3.14Å; V139-K147 HydrophobicContact CB-CG 3.97Å; V139-K147 PolarHBondContact N-O 3.28Å; V139-K147 WeakPolarHBondContact O-CG 3.35Å; V139-K147 PolarHBondContact O-N 3.07Å; V139-Q149 HydrophobicContact CG2-CB 4.15Å
140P89.8Confident87.5Confident99 Ų9960.6 Ų60.664%0.64334%0.342SS*.EExtended strand (participates in β ladder)trans-69.5132.817627.9-32.1000110.5K146P140-K146 HydrophobicContact CB-CG 4.48Å
141V83.1Confident88.1Confident90 Ų9063.3 Ų63.355%0.54535%0.351SS..EExtended strand (participates in β ladder)trans-103.2-30.2178.3-170.30000110.8I145 K147V141-I145 PolarHBondContact N-O 2.97Å; V141-K147 HydrophobicContact CG2-CB 3.82Å; V141-K147 HydrophobicContact CG2-CD 3.61Å; V141-K147 HydrophobicContact CG2-CG 3.51Å
142G82.7Confident88.3Confident31 Ų3162.4 Ų62.432%0.3235%0.346SS..EExtended strand (participates in β ladder)trans142.8164.1178.200000111.2G144 I145G142-G144 VanDerWaalsContact C-N 3.26Å; G142-G144 PolarHBondContact O-N 3.47Å; G142-G144 VanDerWaalsContact O-N 3.15Å; G142-I145 PolarHBondContact O-N 3.21Å
143Y79.1Confident88.3Confident232 Ų23259.6 Ų59.691%0.9133%0.329SS*.THydrogen-bonded Turntrans54.134.4174-58.7-86.7000115.2I145Y143-I145 PolarHBondContact O-N 3.39Å
144G79.4Confident88.2Confident50 Ų5057.8 Ų57.852%0.51532%0.322SS..THydrogen-bonded Turntrans85-20.8-177.700000114.3G142G142-G144 VanDerWaalsContact C-N 3.26Å; G142-G144 PolarHBondContact O-N 3.47Å; G142-G144 VanDerWaalsContact O-N 3.15Å
145I85.5Confident88Confident55 Ų5558.4 Ų58.428%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-76.8128.8-177-52.8173000110.8P109 D112 V141 G142 Y143P109-I145 HydrophobicContact CG-CG2 4.33Å; D112-I145 HydrophobicContact CB-CG1 4.37Å; V141-I145 PolarHBondContact N-O 2.97Å; G142-I145 PolarHBondContact O-N 3.21Å; Y143-I145 PolarHBondContact O-N 3.39Å
146K86.4Confident87.5Confident105 Ų10557.3 Ų57.346%0.45731%0.306SS..EExtended strand (participates in β ladder)trans-115.7133.6174.6-61.1175.4-170.9167.10108.9P109 M116 V139 P140P109-K146 WeakPolarHBondContact CD-O 3.44Å; P109-K146 WeakPolarHBondContact CG-O 3.26Å; M116-K146 VanDerWaalsContact CE-O 3.28Å; M116-K146 WeakPolarHBondContact CE-O 3.17Å; V139-K146 CarbonylContact O-C 3.58Å; V139-K146 WeakPolarHBondContact O-CA 3.14Å; P140-K146 HydrophobicContact CB-CG 4.48Å
147K90.4Very high86.9Confident46 Ų4661.4 Ų61.420%0.233%0.325CS..EExtended strand (participates in β ladder)trans-88.7143.1169.661.6-178.8173.91680110.2D106 K108 V139 V141D106-K147 HydrophobicContact CB-CD 4.36Å; D106-K147 WeakPolarHBondContact OD2-CE 3.39Å; D106-K147 IonicContact OD2-NZ 3.93Å; D106-K147 PolarHBondContact OD2-NZ 3.02Å; K108-K147 HydrophobicContact CG-CB 4.42Å; V139-K147 HydrophobicContact CB-CG 3.97Å; V139-K147 PolarHBondContact N-O 3.28Å; V139-K147 WeakPolarHBondContact O-CG 3.35Å; V139-K147 PolarHBondContact O-N 3.07Å; V141-K147 HydrophobicContact CG2-CB 3.82Å; V141-K147 HydrophobicContact CG2-CD 3.61Å; V141-K147 HydrophobicContact CG2-CG 3.51Å
148L90.7Very high86.1Confident0 Ų062 Ų620%033%0.327CS..EExtended strand (participates in β ladder)trans-84.7119170.4-179.470.4000108.2D106 V107 M116 L119 E120 L138D106-L148 CarbonylContact C-O 3.56Å; D106-L148 WeakPolarHBondContact CA-O 3.35Å; V107-L148 HydrophobicContact CB-CB 4.38Å; V107-L148 PolarHBondContact N-O 3.4Å; V107-L148 PolarHBondContact O-N 3.13Å; M116-L148 HydrophobicContact CE-CB 4.01Å; L119-L148 HydrophobicContact CD2-CB 4.2Å; L119-L148 HydrophobicContact CD2-CD2 3.41Å; L119-L148 VanDerWaalsContact CD2-CD2 3.41Å; L119-L148 HydrophobicContact CD2-CG 4.43Å; E120-L148 HydrophobicContact CB-CD2 4.1Å; L138-L148 HydrophobicContact CD2-CB 4.29Å; L138-L148 HydrophobicContact CD2-CD1 3.64Å
149Q91.7Very high85.5Confident24 Ų2458.3 Ų58.311%0.11231%0.308CS..EExtended strand (participates in β ladder)trans-108.1108.1176.5179162.419.300108.4L104 L105 D106 S136 K137 V139L104-Q149 HydrophobicContact CD2-CB 4.5Å; L104-Q149 HydrophobicContact CD2-CG 3.13Å; L105-Q149 CarbonylContact O-C 3.58Å; L105-Q149 WeakPolarHBondContact O-CA 3.46Å; D106-Q149 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q149 WeakPolarHBondContact OD1-CG 3.08Å; S136-Q149 CarbonylContact C-O 3.53Å; S136-Q149 WeakPolarHBondContact CA-O 3.42Å; K137-Q149 HydrophobicContact CD-CG 4.48Å; K137-Q149 HydrophobicContact CG-CB 3.83Å; K137-Q149 HydrophobicContact CG-CG 4.14Å; K137-Q149 PolarHBondContact N-O 3.06Å; K137-Q149 WeakPolarHBondContact O-CA 3.35Å; K137-Q149 PolarHBondContact O-N 3Å; V139-Q149 HydrophobicContact CG2-CB 4.15Å
150I92.5Very high85Confident0 Ų058.2 Ų58.20%032%0.315CS..EExtended strand (participates in β ladder)trans-119.2134.6-173.6-168.5166.8000111.4L105 V123 W133L105-I150 HydrophobicContact CB-CG2 3.97Å; L105-I150 PolarHBondContact N-O 3.17Å; L105-I150 PolarHBondContact O-N 2.98Å; V123-I150 HydrophobicContact CG1-CD1 3.96Å; V123-I150 HydrophobicContact CG1-CG2 4.36Å; W133-I150 HydrophobicContact CD2-CD1 4.34Å; W133-I150 HydrophobicContact CE3-CD1 3.61Å; W133-I150 HydrophobicContact CE3-CG1 3.97Å; W133-I150 HydrophobicContact CZ3-CD1 4.06Å; W133-I150 HydrophobicContact CZ3-CG1 4.31Å; W133-I150 HydrophobicContact CZ3-CG2 4.08Å
151Q92.3Very high84.5Confident69 Ų6956.1 Ų56.132%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-88137.3172.2-173.9177.4-8.500109.7S102 I103 G134 S135S102-Q151 PolarHBondContact OG-NE2 3.42Å; I103-Q151 WeakPolarHBondContact O-CA 3.33Å; G134-Q151 WeakPolarHBondContact CA-O 3.47Å; G134-Q151 PolarHBondContact N-O 3.03Å; S135-Q151 PolarHBondContact O-N 3.44Å
152C90.9Very high84.6Confident0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-129.8150.1165.961.50000110.4S102 I103 L131 V132 W133S102-C152 CarbonylContact C-O 3.56Å; S102-C152 WeakPolarHBondContact CA-O 3.34Å; I103-C152 PolarHBondContact N-O 3.37Å; I103-C152 PolarHBondContact O-N 3.35Å; L131-C152 HydrophobicContact CD1-CB 3.98Å; V132-C152 CarbonylContact O-C 3.54Å; V132-C152 WeakPolarHBondContact O-CA 3.27Å; W133-C152 HydrophobicContact CD2-CB 4.46Å; W133-C152 HydrophobicContact CE3-CB 3.66Å; W133-C152 HydrophobicContact CH2-CB 4.47Å; W133-C152 HydrophobicContact CZ3-CB 3.67Å
153V88.8Confident84.7Confident34 Ų3458.1 Ų58.121%0.20630%0.3CS..EExtended strand (participates in β ladder)trans-112.6121.4171.9178.80000107K100 S101 V132 I186K100-V153 HydrophobicContact CB-CG1 4.29Å; K100-V153 HydrophobicContact CD-CG1 4.44Å; S101-V153 WeakPolarHBondContact O-CA 3.47Å; V132-V153 HydrophobicContact CB-CB 4.35Å; V132-V153 PolarHBondContact N-O 3.36Å; V132-V153 PolarHBondContact O-N 2.79Å; V153-I186 HydrophobicContact CG1-CD1 3.76Å; V153-I186 HydrophobicContact CG2-CD1 4.46Å
154V88.9Confident84.9Confident2 Ų247.1 Ų47.11%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-113.1145.5179.3-64.30000110.6K100 S101 I103 G130 L131 V159 L164K100-V154 CarbonylContact C-O 3.58Å; K100-V154 VanDerWaalsContact CA-O 3.26Å; K100-V154 WeakPolarHBondContact CA-O 3.43Å; S101-V154 PolarHBondContact N-O 2.82Å; S101-V154 WeakPolarHBondContact O-CG2 3.49Å; S101-V154 PolarHBondContact O-N 2.83Å; I103-V154 HydrophobicContact CD1-CG1 4.39Å; I103-V154 HydrophobicContact CD1-CG2 3.63Å; I103-V154 HydrophobicContact CG1-CG2 4.17Å; G130-V154 CarbonylContact O-C 3.51Å; G130-V154 WeakPolarHBondContact O-CA 3.44Å; L131-V154 HydrophobicContact CD1-CG1 3.66Å; V154-V159 HydrophobicContact CB-CB 4.18Å; V154-V159 HydrophobicContact CB-CG1 4.33Å; V154-V159 HydrophobicContact CG1-CB 4.29Å; V154-V159 HydrophobicContact CG1-CG1 3.9Å; V154-L164 HydrophobicContact CG1-CD1 3.6Å
155E85.2Confident85.2Confident40 Ų4049.1 Ų49.119%0.18725%0.253CS..EExtended strand (participates in β ladder)trans-85.1112.7164.3-66.2-171.2166.100108.8V98 K100 G130 D157 K158 V159V98-E155 HydrophobicContact CG1-CB 3.55Å; V98-E155 HydrophobicContact CG1-CG 3.54Å; K100-E155 HydrophobicContact CG-CG 4.26Å; G130-E155 PolarHBondContact O-N 2.78Å; E155-D157 PolarHBondContact O-N 3.05Å; E155-D157 VanDerWaalsContact O-N 3.13Å; E155-K158 PolarHBondContact O-N 3.45Å; E155-K158 IonicContact OE2-NZ 3.56Å; E155-V159 PolarHBondContact O-N 3.41Å
156D80.2Confident85.2Confident60 Ų6053 Ų5332%0.32127%0.27SS..THydrogen-bonded Turntrans-58.1-31.4-171.3-67.6-16.7000112.5A99 S101 K158A99-D156 HydrophobicContact CB-CB 4.32Å; A99-D156 WeakPolarHBondContact CB-OD2 3.39Å; A99-D156 PolarHBondContact O-N 3.29Å; S101-D156 WeakPolarHBondContact CB-OD1 3.18Å; S101-D156 VanDerWaalsContact OG-CG 3.28Å; S101-D156 PolarHBondContact OG-OD1 3.14Å; S101-D156 PolarHBondContact OG-OD2 3.26Å; D156-K158 VanDerWaalsContact C-N 3.28Å; D156-K158 PolarHBondContact O-N 2.98Å
157D77.5Confident85.3Confident122 Ų12254.8 Ų54.865%0.65227%0.274SS*.THydrogen-bonded Turntrans-74.3-16-178.4-69.9-25.2000113.5E155E155-D157 PolarHBondContact O-N 3.05Å; E155-D157 VanDerWaalsContact O-N 3.13Å
158K74.7Confident85.1Confident121 Ų12152.6 Ų52.653%0.52626%0.264SS..THydrogen-bonded Turntrans-123.5-35.7-172.4-66.4-176.1-177.9175.70114D129 E155 D156D129-K158 IonicContact OD1-NZ 3.85Å; D129-K158 IonicContact OD2-NZ 2.79Å; D129-K158 PolarHBondContact OD2-NZ 3.41Å; E155-K158 PolarHBondContact O-N 3.45Å; E155-K158 IonicContact OE2-NZ 3.56Å; D156-K158 VanDerWaalsContact C-N 3.28Å; D156-K158 PolarHBondContact O-N 2.98Å
159V76.8Confident84.7Confident5 Ų555.1 Ų55.13%0.0328%0.28CS..  trans-120.9103.3-172.9-174.90000109.1V128 D129 L131 V154 E155 L164V128-V159 HydrophobicContact CG1-CG2 3.85Å; D129-V159 WeakPolarHBondContact O-CG2 3.41Å; L131-V159 HydrophobicContact CB-CG2 4.5Å; V154-V159 HydrophobicContact CB-CB 4.18Å; V154-V159 HydrophobicContact CB-CG1 4.33Å; V154-V159 HydrophobicContact CG1-CB 4.29Å; V154-V159 HydrophobicContact CG1-CG1 3.9Å; E155-V159 PolarHBondContact O-N 3.41Å; V159-L164 HydrophobicContact CG1-CD1 4.24Å; V159-L164 HydrophobicContact CG1-CD2 4.32Å; V159-L164 HydrophobicContact CG1-CG 4.1Å
160G78.8Confident84.5Confident37 Ų3757.4 Ų57.438%0.38130%0.303SS..  trans-75149.1170.400000111.7D162 M163G160-D162 PolarHBondContact O-N 3.41Å; G160-M163 PolarHBondContact O-N 3.29Å
161T79.3Confident84.1Confident55 Ų5560.2 Ų60.234%0.33732%0.315SS..Hα-helixtrans-62.7-32.4175.750.50000112.7I103 M163 L164 E165I103-T161 HydrophobicContact CD1-CG2 3.36Å; T161-M163 VanDerWaalsContact C-N 3.31Å; T161-M163 PolarHBondContact O-N 3.49Å; T161-L164 WeakPolarHBondContact O-CB 3.23Å; T161-L164 PolarHBondContact O-N 3.45Å; T161-L164 VanDerWaalsContact O-N 3.17Å; T161-E165 PolarHBondContact O-N 3.33Å
162D84Confident83.4Confident110 Ų11063.9 Ų63.959%0.58833%0.332SS*.Hα-helixtrans-63.3-38.9-179.7-48.3-49.2000111.3G160 L164 E165 E166G160-D162 PolarHBondContact O-N 3.41Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 2.68Å; D162-E165 PolarHBondContact O-N 2.95Å; D162-E166 WeakPolarHBondContact O-CG 3.31Å; D162-E166 PolarHBondContact O-N 2.97Å
163M85Confident83Confident53 Ų5370.7 Ų70.726%0.26137%0.369SS..Hα-helixtrans-64.7-38.7176.6-173.4-81.6-170.800111.6V128 G160 T161 R167V128-M163 HydrophobicContact CG1-CE 4.2Å; V128-M163 HydrophobicContact CG2-CE 3.52Å; V128-M163 HydrophobicContact CG2-SD 4.02Å; G160-M163 PolarHBondContact O-N 3.29Å; T161-M163 VanDerWaalsContact C-N 3.31Å; T161-M163 PolarHBondContact O-N 3.49Å; M163-R167 HydrophobicContact CE-CG 3.84Å; M163-R167 VanDerWaalsContact CE-NE 3.33Å; M163-R167 WeakPolarHBondContact O-CB 3.28Å; M163-R167 WeakPolarHBondContact O-CG 3.49Å; M163-R167 PolarHBondContact O-N 3.24Å; M163-R167 HydrophobicContact SD-CG 3.67Å
164L84.1Confident82.6Confident2 Ų272.8 Ų72.81%0.0137%0.374CS..Hα-helixtrans-66.9-41.7176.1-68.8175000111.5L131 V154 V159 T161 D162 R167 I168L131-L164 HydrophobicContact CD1-CD1 4.01Å; L131-L164 HydrophobicContact CD1-CD2 3.73Å; L131-L164 HydrophobicContact CD2-CD2 3.56Å; L131-L164 HydrophobicContact CG-CD2 4.26Å; V154-L164 HydrophobicContact CG1-CD1 3.6Å; V159-L164 HydrophobicContact CG1-CD1 4.24Å; V159-L164 HydrophobicContact CG1-CD2 4.32Å; V159-L164 HydrophobicContact CG1-CG 4.1Å; T161-L164 WeakPolarHBondContact O-CB 3.23Å; T161-L164 PolarHBondContact O-N 3.45Å; T161-L164 VanDerWaalsContact O-N 3.17Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 2.68Å; L164-R167 PolarHBondContact O-N 2.77Å; L164-I168 WeakPolarHBondContact O-CB 3.26Å; L164-I168 WeakPolarHBondContact O-CD1 3.37Å; L164-I168 WeakPolarHBondContact O-CG1 3.41Å; L164-I168 PolarHBondContact O-N 2.85Å
165E85Confident82.5Confident91 Ų9173 Ų7343%0.42538%0.375SS..Hα-helixtrans-59.5-49.4175.3-178.4168.7178.400111.1T161 D162 R167 I168 T169 M178T161-E165 PolarHBondContact O-N 3.33Å; D162-E165 PolarHBondContact O-N 2.95Å; E165-R167 PolarHBondContact O-N 2.85Å; E165-I168 PolarHBondContact O-N 2.9Å; E165-T169 HydrophobicContact CG-CG2 4.2Å; E165-T169 VanDerWaalsContact O-CB 3.31Å; E165-T169 WeakPolarHBondContact O-CB 3.42Å; E165-T169 VanDerWaalsContact O-CG2 3.25Å; E165-T169 WeakPolarHBondContact O-CG2 3.25Å; E165-T169 PolarHBondContact O-N 2.85Å; E165-T169 PolarHBondContact O-OG1 2.72Å; E165-M178 HydrophobicContact CB-CE 4.07Å; E165-M178 HydrophobicContact CB-SD 3.75Å; E165-M178 HydrophobicContact CG-SD 3.65Å
166E86.8Confident82.5Confident136 Ų13675.9 Ų75.964%0.63639%0.388SS*.Hα-helixtrans-58.8-45.1177.1-73.1178.7-17800112.6D162 I168 T169 A170D162-E166 WeakPolarHBondContact O-CG 3.31Å; D162-E166 PolarHBondContact O-N 2.97Å; E166-I168 PolarHBondContact O-N 2.93Å; E166-T169 PolarHBondContact O-OG1 2.94Å; E166-A170 VanDerWaalsContact O-CB 3.26Å; E166-A170 WeakPolarHBondContact O-CB 3.45Å; E166-A170 PolarHBondContact O-N 3.07Å
167R86.8Confident82.9Confident143 Ų14375 Ų7554%0.5439%0.386SS..Hα-helixtrans-67.7-36.7-179.1-69.9-75.9-175156.84.1112.7I126 M163 L164 E165 F171I126-R167 HydrophobicContact CD1-CB 3.87Å; I126-R167 HydrophobicContact CG1-CB 4.33Å; I126-R167 HydrophobicContact CG2-CB 4.29Å; I126-R167 HydrophobicContact CG2-CG 4.47Å; M163-R167 HydrophobicContact CE-CG 3.84Å; M163-R167 VanDerWaalsContact CE-NE 3.33Å; M163-R167 WeakPolarHBondContact O-CB 3.28Å; M163-R167 WeakPolarHBondContact O-CG 3.49Å; M163-R167 PolarHBondContact O-N 3.24Å; M163-R167 HydrophobicContact SD-CG 3.67Å; L164-R167 PolarHBondContact O-N 2.77Å; E165-R167 PolarHBondContact O-N 2.85Å; R167-F171 VanDerWaalsContact O-CD2 3.23Å; R167-F171 WeakPolarHBondContact O-CD2 3.39Å; R167-F171 VanDerWaalsContact O-CE2 3.27Å; R167-F171 WeakPolarHBondContact O-CE2 3.33Å
168I86.6Confident83.4Confident0 Ų070.1 Ų70.10%036%0.36CS..Hα-helixtrans-77.4-42.3-179.3-65.8165.8000110.2L105 V107 I126 W133 L164 E165 E166 A170 F171 V175 M178L105-I168 HydrophobicContact CD1-CD1 3.84Å; V107-I168 HydrophobicContact CG1-CG2 4.26Å; V107-I168 HydrophobicContact CG2-CG2 4.08Å; I126-I168 HydrophobicContact CD1-CG1 3.68Å; W133-I168 HydrophobicContact CH2-CD1 4.16Å; L164-I168 WeakPolarHBondContact O-CB 3.26Å; L164-I168 WeakPolarHBondContact O-CD1 3.37Å; L164-I168 WeakPolarHBondContact O-CG1 3.41Å; L164-I168 PolarHBondContact O-N 2.85Å; E165-I168 PolarHBondContact O-N 2.9Å; E166-I168 PolarHBondContact O-N 2.93Å; I168-A170 VanDerWaalsContact C-N 3.28Å; I168-A170 PolarHBondContact O-N 2.77Å; I168-F171 PolarHBondContact O-N 2.89Å; I168-V175 HydrophobicContact CG2-CG1 4.47Å; I168-V175 HydrophobicContact CG2-CG2 4.48Å; I168-M178 HydrophobicContact CG2-CB 4.24Å; I168-M178 HydrophobicContact CG2-CG 4.35Å
169T83.4Confident84.1Confident53 Ų5367.6 Ų67.633%0.32535%0.352SS..Hα-helixtrans-71.1-23.4178.555.30000112.8E165 E166 F171 E172 M178E165-T169 HydrophobicContact CG-CG2 4.2Å; E165-T169 VanDerWaalsContact O-CB 3.31Å; E165-T169 WeakPolarHBondContact O-CB 3.42Å; E165-T169 VanDerWaalsContact O-CG2 3.25Å; E165-T169 WeakPolarHBondContact O-CG2 3.25Å; E165-T169 PolarHBondContact O-N 2.85Å; E165-T169 PolarHBondContact O-OG1 2.72Å; E166-T169 PolarHBondContact O-OG1 2.94Å; T169-F171 PolarHBondContact O-N 3.01Å; T169-F171 VanDerWaalsContact O-N 3.14Å; T169-E172 WeakPolarHBondContact O-CG 3.49Å; T169-E172 PolarHBondContact O-N 3.36Å; T169-M178 HydrophobicContact CG2-CB 4.3Å
170A87.7Confident84.7Confident72 Ų7271.2 Ų71.260%0.59537%0.374SS*.THydrogen-bonded Turntrans-60.4-19.5171.600000113.8E166 I168 E172E166-A170 VanDerWaalsContact O-CB 3.26Å; E166-A170 WeakPolarHBondContact O-CB 3.45Å; E166-A170 PolarHBondContact O-N 3.07Å; I168-A170 VanDerWaalsContact C-N 3.28Å; I168-A170 PolarHBondContact O-N 2.77Å; A170-E172 PolarHBondContact O-N 3.38Å
171F83.3Confident85.2Confident60 Ų6071.6 Ų71.626%0.26337%0.374SS..  trans-82.454.8171.3-62.4-72.7000111.4C122 I126 R167 I168 T169 D173 Y174 V175C122-F171 HydrophobicContact CB-CD1 4.21Å; C122-F171 HydrophobicContact CB-CE1 4.11Å; C122-F171 HydrophobicContact CB-CE2 4.42Å; C122-F171 HydrophobicContact CB-CG 4.41Å; C122-F171 HydrophobicContact CB-CZ 4.21Å; I126-F171 HydrophobicContact CD1-CE2 4.06Å; I126-F171 HydrophobicContact CG1-CE2 4.12Å; R167-F171 VanDerWaalsContact O-CD2 3.23Å; R167-F171 WeakPolarHBondContact O-CD2 3.39Å; R167-F171 VanDerWaalsContact O-CE2 3.27Å; R167-F171 WeakPolarHBondContact O-CE2 3.33Å; I168-F171 PolarHBondContact O-N 2.89Å; T169-F171 PolarHBondContact O-N 3.01Å; T169-F171 VanDerWaalsContact O-N 3.14Å; F171-D173 PolarHBondContact O-N 3.46Å; F171-D173 VanDerWaalsContact O-N 3.07Å; F171-Y174 PolarHBondContact O-N 3.45Å; F171-V175 HydrophobicContact CB-CG2 4.21Å; F171-V175 WeakPolarHBondContact O-CB 3.5Å; F171-V175 PolarHBondContact O-N 2.82Å
172E78.8Confident85.7Confident145 Ų14570.6 Ų70.668%0.67837%0.371SS*.THydrogen-bonded Turntrans-55.9-26.9-176.4-63.6-176.5170.500113.1W110 T169 A170 Y174W110-E172 PolarHBondContact NE1-O 3.32Å; T169-E172 WeakPolarHBondContact O-CG 3.49Å; T169-E172 PolarHBondContact O-N 3.36Å; A170-E172 PolarHBondContact O-N 3.38Å; E172-Y174 VanDerWaalsContact C-N 3.28Å; E172-Y174 PolarHBondContact O-N 2.79Å
173D81.3Confident85.9Confident144 Ų14470.7 Ų70.777%0.7737%0.367SS*.THydrogen-bonded Turntrans-67.2-26.5178.5-64.6-40.2000113.4F171F171-D173 PolarHBondContact O-N 3.46Å; F171-D173 VanDerWaalsContact O-N 3.07Å
174Y80.8Confident86.2Confident78 Ų7872.5 Ų72.531%0.30638%0.377SS..THydrogen-bonded Turntrans-118.9-27.5-174.4-60.7-81.9000112.9P109 T114 L119 F171 E172P109-Y174 WeakPolarHBondContact CA-O 3.31Å; T114-Y174 HydrophobicContact CG2-CD1 3.9Å; L119-Y174 WeakPolarHBondContact CD1-O 3.37Å; F171-Y174 PolarHBondContact O-N 3.45Å; E172-Y174 VanDerWaalsContact C-N 3.28Å; E172-Y174 PolarHBondContact O-N 2.79Å
175V86Confident86.3Confident7 Ų779.7 Ų79.74%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-110.1121.7-173.7179.80000109.6V107 W110 L119 I168 F171V107-V175 HydrophobicContact CG1-CB 4.14Å; V107-V175 HydrophobicContact CG1-CG1 3.57Å; V107-V175 HydrophobicContact CG1-CG2 3.54Å; W110-V175 PolarHBondContact NE1-O 3.12Å; L119-V175 HydrophobicContact CD1-CG2 4.35Å; L119-V175 HydrophobicContact CG-CG2 4.37Å; I168-V175 HydrophobicContact CG2-CG1 4.47Å; I168-V175 HydrophobicContact CG2-CG2 4.48Å; F171-V175 HydrophobicContact CB-CG2 4.21Å; F171-V175 WeakPolarHBondContact O-CB 3.5Å; F171-V175 PolarHBondContact O-N 2.82Å
176Q86.5Confident85.8Confident100 Ų10081.8 Ų81.847%0.46742%0.422SS..EExtended strand (participates in β ladder)trans-79.5-48170.3179.8-173.351.800110.8K108 W110K108-Q176 WeakPolarHBondContact O-CB 3.35Å; K108-Q176 PolarHBondContact O-N 3.48Å; W110-Q176 HydrophobicContact CD2-CB 3.95Å; W110-Q176 HydrophobicContact CD2-CG 4.22Å; W110-Q176 HydrophobicContact CE3-CB 4.25Å; W110-Q176 HydrophobicContact CE3-CG 4.02Å; W110-Q176 HydrophobicContact CG-CB 4.24Å; W110-Q176 HydrophobicContact CH2-CG 4.31Å; W110-Q176 HydrophobicContact CZ2-CG 4.49Å; W110-Q176 HydrophobicContact CZ3-CG 4.08Å
177S87.1Confident85.8Confident40 Ų4079.1 Ų79.128%0.2841%0.411SS..EExtended strand (participates in β ladder)trans-156.5159.5180760000111.4K108K108-S177 PolarHBondContact N-O 2.98Å; K108-S177 PolarHBondContact O-N 2.92Å
178M88Confident85.7Confident20 Ų2075.7 Ų75.710%0.09940%0.404CS..EExtended strand (participates in β ladder)trans-121138.3172.3168.9-104.9-170.800109.3L105 D106 E165 I168 T169 V180L105-M178 HydrophobicContact CD1-CE 4.16Å; L105-M178 HydrophobicContact CD2-CE 3.28Å; L105-M178 HydrophobicContact CG-CE 4.27Å; D106-M178 WeakPolarHBondContact O-CA 3.34Å; E165-M178 HydrophobicContact CB-CE 4.07Å; E165-M178 HydrophobicContact CB-SD 3.75Å; E165-M178 HydrophobicContact CG-SD 3.65Å; I168-M178 HydrophobicContact CG2-CB 4.24Å; I168-M178 HydrophobicContact CG2-CG 4.35Å; T169-M178 HydrophobicContact CG2-CB 4.3Å; M178-V180 HydrophobicContact CE-CG2 4.38Å
179D90.2Very high85.7Confident68 Ų6879.9 Ų79.936%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-130.3145.7177.5-64.5-96000110.6D106 K108 A181D106-D179 HydrophobicContact CB-CB 4.3Å; D106-D179 PolarHBondContact N-O 2.84Å; D106-D179 PolarHBondContact O-N 2.99Å; K108-D179 IonicContact NZ-OD1 2.57Å; K108-D179 IonicContact NZ-OD2 2.72Å; K108-D179 PolarHBondContact NZ-OD2 3.19Å; D179-A181 PolarHBondContact O-N 2.98Å
180V89.8Confident85.8Confident81 Ų8181.5 Ų81.549%0.49143%0.432SS..EExtended strand (participates in β ladder)trans-85.8107170.2-177.90000108.9I103 L105 M178I103-V180 HydrophobicContact CG2-CG1 4.01Å; L105-V180 HydrophobicContact CD2-CG2 4.17Å; M178-V180 HydrophobicContact CE-CG2 4.38Å
181A88.9Confident85.7Confident46 Ų4682.1 Ų82.138%0.3842%0.422SS..EExtended strand (participates in β ladder)trans-77.4-37.5179.800000112.2L104 D106 D179L104-A181 HydrophobicContact CB-CB 4.39Å; L104-A181 HydrophobicContact CD2-CB 4.4Å; L104-A181 WeakPolarHBondContact O-CB 3.42Å; L104-A181 PolarHBondContact O-N 3.28Å; D106-A181 HydrophobicContact CB-CB 4.4Å; D179-A181 PolarHBondContact O-N 2.98Å
182A89.8Confident85.9Confident34 Ų3483.6 Ų83.628%0.28143%0.433SS..EExtended strand (participates in β ladder)trans-158150.3176.200000111.3L104L104-A182 HydrophobicContact CB-CB 3.86Å; L104-A182 HydrophobicContact CD1-CB 4.37Å; L104-A182 PolarHBondContact N-O 3.07Å; L104-A182 PolarHBondContact O-N 3.28Å
183F89.1Confident86.4Confident111 Ų11179.2 Ų79.249%0.48742%0.415SS..EExtended strand (participates in β ladder)trans-129.1120175.2-177.5-87.2000109S101 I103S101-F183 VanDerWaalsContact CB-CZ 3.49Å; S101-F183 WeakPolarHBondContact OG-CZ 3.1Å; I103-F183 HydrophobicContact CD1-CD2 4.06Å; I103-F183 HydrophobicContact CD1-CE2 3.94Å; I103-F183 HydrophobicContact CG1-CD2 3.72Å; I103-F183 HydrophobicContact CG1-CE2 3.89Å
184N89.3Confident86.8Confident91 Ų9174.2 Ų74.249%0.48739%0.388SS..EExtended strand (participates in β ladder)trans-124.7124.4179.5-63.2-71.2000109.8S101 S102S101-N184 CarbonylContact C-O 3.54Å; S101-N184 WeakPolarHBondContact CA-O 3.4Å; S102-N184 PolarHBondContact N-O 2.99Å; S102-N184 PolarHBondContact O-N 2.57Å
185K86.3Confident87.3Confident153 Ų15373.9 Ų73.967%0.66540%0.395SS*.EExtended strand (participates in β ladder)trans-81134.2173.4-161173-171.2173.50110.1
186I76.3Confident87.4Confident136 Ų13680 Ų8070%0.69743%0.427SS*.  trans-127.80-177.656.9164000112.9K100 V153K100-I186 HydrophobicContact CB-CD1 3.78Å; K100-I186 HydrophobicContact CB-CG1 3.55Å; K100-I186 PolarHBondContact N-O 3.3Å; K100-I186 WeakPolarHBondContact O-CG1 3.45Å; K100-I186 PolarHBondContact O-N 3.15Å; V153-I186 HydrophobicContact CG1-CD1 3.76Å; V153-I186 HydrophobicContact CG2-CD1 4.46Å

Retrieved 186 of 186 residues in 161.8 ms (Link to these results)

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