A0A087WS46_MOUSE Loading...

Eukaryotic translation elongation factor 1 beta 2

AlphaFold DB , UniProt , Accession A0A087WS46, Species MOUSE (Mus musculus, Mouse), Gene Eef1b2, Length 184 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
1M51.9Low74.1Confident237 Ų23794.6 Ų94.6100%1.16756%0.563SS**  0105.90-141.6148.4-174.100106
2G62.2Low74.7Confident73 Ų7393.4 Ų93.475%0.75355%0.551SS**  trans-85.4139.1-179.500000109.8G4G2-G4 PolarHBondContact O-N 2.8Å
3F69.4Low75.1Confident73 Ų7396.6 Ų96.632%0.3256%0.557SS.*  trans-63.7129.8164.4-53.2-73.9000107.1L6 V14 L15 Y18F3-L6 HydrophobicContact CB-CD2 3.8Å; F3-V14 HydrophobicContact CD1-CG1 4.17Å; F3-L15 HydrophobicContact CD1-CB 3.96Å; F3-L15 HydrophobicContact CD1-CD1 3.8Å; F3-L15 HydrophobicContact CD2-CD1 3.96Å; F3-L15 HydrophobicContact CE1-CB 4.4Å; F3-L15 HydrophobicContact CE1-CD1 3.78Å; F3-L15 HydrophobicContact CE2-CD1 3.92Å; F3-L15 HydrophobicContact CG-CB 4.47Å; F3-L15 HydrophobicContact CG-CD1 3.92Å; F3-L15 HydrophobicContact CZ-CD1 3.86Å; F3-Y18 VanDerWaalsContact CE1-CB 3.45Å; F3-Y18 AromaticContact CE1-CD1 3.95Å; F3-Y18 HydrophobicContact CE1-CD1 3.95Å; F3-Y18 HydrophobicContact CE1-CD2 4.18Å; F3-Y18 AromaticContact CE1-CG 3.61Å; F3-Y18 HydrophobicContact CE1-CG 3.61Å; F3-Y18 HydrophobicContact CE2-CD1 4.36Å; F3-Y18 HydrophobicContact CE2-CE1 4.47Å; F3-Y18 AromaticContact CZ-CD1 3.33Å; F3-Y18 HydrophobicContact CZ-CD1 3.33Å; F3-Y18 AromaticContact CZ-CD2 3.93Å; F3-Y18 HydrophobicContact CZ-CD2 3.93Å; F3-Y18 AromaticContact CZ-CE1 3.74Å; F3-Y18 HydrophobicContact CZ-CE1 3.74Å; F3-Y18 HydrophobicContact CZ-CE2 4.31Å; F3-Y18 AromaticContact CZ-CG 3.4Å; F3-Y18 HydrophobicContact CZ-CG 3.4Å; F3-Y18 VanDerWaalsContact CZ-CG 3.4Å
4G74.4Confident75.5Confident54 Ų5495.6 Ų95.656%0.55755%0.553SS**  trans-66.6-151.6176.700000112G2 L6G2-G4 PolarHBondContact O-N 2.8Å; G4-L6 PolarHBondContact O-N 3.11Å
5D75Confident75.8Confident100 Ų10092.2 Ų92.254%0.53553%0.532SS..  trans-64.7108.1178.8-172.3-3.2000112.1K7 T8D5-K7 PolarHBondContact O-N 2.76Å; D5-K7 WeakPolarHBondContact OD1-CB 3.44Å; D5-K7 PolarHBondContact OD1-N 3.15Å; D5-T8 HydrophobicContact CB-CG2 4.09Å; D5-T8 PolarHBondContact O-N 3.37Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 PolarHBondContact O-OG1 3.47Å
6L77.6Confident76.2Confident86 Ų8692.6 Ų92.645%0.4553%0.532SS..THydrogen-bonded Turntrans-71.8-5.9-178.2-64.4176.3000113.9F3 G4 T8 L12 L15F3-L6 HydrophobicContact CB-CD2 3.8Å; G4-L6 PolarHBondContact O-N 3.11Å; L6-T8 VanDerWaalsContact C-N 3.34Å; L6-L12 WeakPolarHBondContact O-CD2 3.38Å; L6-L12 WeakPolarHBondContact O-CG 3Å; L6-L15 HydrophobicContact CD2-CB 4.21Å; L6-L15 HydrophobicContact CD2-CD2 3.98Å
7K80.2Confident76.5Confident192 Ų19293.8 Ų93.884%0.83554%0.536SS*.THydrogen-bonded Turntrans-85.3-11.5170.9-66.1-177.4179.5178.90112.6D5D5-K7 PolarHBondContact O-N 2.76Å; D5-K7 WeakPolarHBondContact OD1-CB 3.44Å; D5-K7 PolarHBondContact OD1-N 3.15Å
8T81.2Confident76.8Confident53 Ų5394.4 Ų94.433%0.32553%0.529SS..SBendtrans-92145.8176.969.20000110.9D5 L6 A10 G11 L12D5-T8 HydrophobicContact CB-CG2 4.09Å; D5-T8 PolarHBondContact O-N 3.37Å; D5-T8 VanDerWaalsContact O-N 3.13Å; D5-T8 PolarHBondContact O-OG1 3.47Å; L6-T8 VanDerWaalsContact C-N 3.34Å; T8-A10 PolarHBondContact O-N 3.05Å; T8-G11 PolarHBondContact O-N 3.11Å; T8-G11 VanDerWaalsContact O-N 3.12Å; T8-G11 PolarHBondContact OG1-N 2.73Å; T8-L12 PolarHBondContact O-N 3.3Å; T8-L12 VanDerWaalsContact O-N 3.13Å
9P79.3Confident76.9Confident106 Ų10694.4 Ų94.469%0.68853%0.527SS*.Hα-helixtrans-60.4-29.9177.723.6-33.1000112.3Q13P9-Q13 PolarHBondContact O-N 2.82Å; P9-Q13 VanDerWaalsContact O-N 3.08Å
10A81.1Confident76.7Confident61 Ų6193 Ų9350%0.50453%0.528SS..Hα-helixtrans-68-42.6175.400000112.3T8 L12 Q13 V14T8-A10 PolarHBondContact O-N 3.05Å; A10-L12 VanDerWaalsContact C-N 3.33Å; A10-L12 PolarHBondContact O-N 2.98Å; A10-Q13 PolarHBondContact O-N 3.08Å; A10-V14 WeakPolarHBondContact O-CG2 3.16Å; A10-V14 PolarHBondContact O-N 3.26Å; A10-V14 VanDerWaalsContact O-N 3.17Å
11G82.4Confident76.6Confident6 Ų695.5 Ų95.56%0.06254%0.54CS..Hα-helixtrans-64.7-37.8176.100000112.7T8 V14 L15T8-G11 PolarHBondContact O-N 3.11Å; T8-G11 VanDerWaalsContact O-N 3.12Å; T8-G11 PolarHBondContact OG1-N 2.73Å; G11-V14 PolarHBondContact O-N 2.63Å; G11-L15 PolarHBondContact O-N 2.61Å; G11-L15 VanDerWaalsContact O-N 3.09Å
12L81.8Confident77.6Confident80 Ų8090.1 Ų90.142%0.41951%0.51SS..Hα-helixtrans-66-36.5174.5-69.9170.1000112.4L6 T8 A10 N16L6-L12 WeakPolarHBondContact O-CD2 3.38Å; L6-L12 WeakPolarHBondContact O-CG 3Å; T8-L12 PolarHBondContact O-N 3.3Å; T8-L12 VanDerWaalsContact O-N 3.13Å; A10-L12 VanDerWaalsContact C-N 3.33Å; A10-L12 PolarHBondContact O-N 2.98Å; L12-N16 WeakPolarHBondContact O-CB 3.37Å; L12-N16 PolarHBondContact O-N 3.26Å; L12-N16 PolarHBondContact O-ND2 2.99Å
13Q79.6Confident77.8Confident135 Ų13589.7 Ų89.763%0.63150%0.495SS*.Hα-helixtrans-63.3-49174.3-83.2-171.8-26.200111.7P9 A10 L15 N16 D17P9-Q13 PolarHBondContact O-N 2.82Å; P9-Q13 VanDerWaalsContact O-N 3.08Å; A10-Q13 PolarHBondContact O-N 3.08Å; Q13-L15 VanDerWaalsContact C-N 3.27Å; Q13-L15 PolarHBondContact O-N 3.06Å; Q13-N16 PolarHBondContact O-N 3.17Å; Q13-D17 PolarHBondContact O-N 3.1Å
14V81.4Confident77.3Confident83 Ų8397.7 Ų97.750%0.50353%0.525SS..Hα-helixtrans-60.6-37.4179.5177.80000112F3 A10 G11 Y18F3-V14 HydrophobicContact CD1-CG1 4.17Å; A10-V14 WeakPolarHBondContact O-CG2 3.16Å; A10-V14 PolarHBondContact O-N 3.26Å; A10-V14 VanDerWaalsContact O-N 3.17Å; G11-V14 PolarHBondContact O-N 2.63Å; V14-Y18 WeakPolarHBondContact O-CB 3.38Å; V14-Y18 PolarHBondContact O-N 3.44Å; V14-Y18 VanDerWaalsContact O-N 3.07Å
15L80.3Confident76.7Confident44 Ų44100.4 Ų100.423%0.2353%0.525CS..Hα-helixtrans-67-43.5174.5-179.464.8000112F3 L6 G11 Q13 Y18 L19F3-L15 HydrophobicContact CD1-CB 3.96Å; F3-L15 HydrophobicContact CD1-CD1 3.8Å; F3-L15 HydrophobicContact CD2-CD1 3.96Å; F3-L15 HydrophobicContact CE1-CB 4.4Å; F3-L15 HydrophobicContact CE1-CD1 3.78Å; F3-L15 HydrophobicContact CE2-CD1 3.92Å; F3-L15 HydrophobicContact CG-CB 4.47Å; F3-L15 HydrophobicContact CG-CD1 3.92Å; F3-L15 HydrophobicContact CZ-CD1 3.86Å; L6-L15 HydrophobicContact CD2-CB 4.21Å; L6-L15 HydrophobicContact CD2-CD2 3.98Å; G11-L15 PolarHBondContact O-N 2.61Å; G11-L15 VanDerWaalsContact O-N 3.09Å; Q13-L15 VanDerWaalsContact C-N 3.27Å; Q13-L15 PolarHBondContact O-N 3.06Å; L15-Y18 PolarHBondContact O-N 2.98Å; L15-L19 HydrophobicContact CD1-CD1 4.12Å; L15-L19 HydrophobicContact CD1-CG 4.22Å; L15-L19 HydrophobicContact CG-CD1 3.93Å; L15-L19 HydrophobicContact CG-CG 4.43Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.03Å; L15-L19 PolarHBondContact O-N 3.2Å
16N81.3Confident75.8Confident99 Ų99105.4 Ų105.453%0.52955%0.546SS..Hα-helixtrans-62.7-42.4177.4-78.9-54.1000111.7L12 Q13 L19 A20L12-N16 WeakPolarHBondContact O-CB 3.37Å; L12-N16 PolarHBondContact O-N 3.26Å; L12-N16 PolarHBondContact O-ND2 2.99Å; Q13-N16 PolarHBondContact O-N 3.17Å; N16-L19 PolarHBondContact O-N 2.87Å; N16-A20 WeakPolarHBondContact O-CB 3.32Å; N16-A20 PolarHBondContact O-N 3.03Å
17D81.6Confident75Confident112 Ų112103.9 Ų103.960%0.59955%0.551SS**Hα-helixtrans-64.8-43178.2-69-33.6000111.5Q13 A20 D21Q13-D17 PolarHBondContact O-N 3.1Å; D17-A20 PolarHBondContact O-N 3.5Å; D17-D21 PolarHBondContact O-N 3.44Å
18Y81.3Confident73.9Confident106 Ų106101.8 Ų101.842%0.41655%0.548SS..Hα-helixtrans-64.8-40.6175.7-179.3-88.6000112.7F3 V14 L15 A20 D21 K22F3-Y18 VanDerWaalsContact CE1-CB 3.45Å; F3-Y18 AromaticContact CE1-CD1 3.95Å; F3-Y18 HydrophobicContact CE1-CD1 3.95Å; F3-Y18 HydrophobicContact CE1-CD2 4.18Å; F3-Y18 AromaticContact CE1-CG 3.61Å; F3-Y18 HydrophobicContact CE1-CG 3.61Å; F3-Y18 HydrophobicContact CE2-CD1 4.36Å; F3-Y18 HydrophobicContact CE2-CE1 4.47Å; F3-Y18 AromaticContact CZ-CD1 3.33Å; F3-Y18 HydrophobicContact CZ-CD1 3.33Å; F3-Y18 AromaticContact CZ-CD2 3.93Å; F3-Y18 HydrophobicContact CZ-CD2 3.93Å; F3-Y18 AromaticContact CZ-CE1 3.74Å; F3-Y18 HydrophobicContact CZ-CE1 3.74Å; F3-Y18 HydrophobicContact CZ-CE2 4.31Å; F3-Y18 AromaticContact CZ-CG 3.4Å; F3-Y18 HydrophobicContact CZ-CG 3.4Å; F3-Y18 VanDerWaalsContact CZ-CG 3.4Å; V14-Y18 WeakPolarHBondContact O-CB 3.38Å; V14-Y18 PolarHBondContact O-N 3.44Å; V14-Y18 VanDerWaalsContact O-N 3.07Å; L15-Y18 PolarHBondContact O-N 2.98Å; Y18-A20 VanDerWaalsContact C-N 3.33Å; Y18-D21 PolarHBondContact O-N 2.9Å; Y18-K22 HydrophobicContact CD1-CG 4.06Å; Y18-K22 HydrophobicContact CD2-CG 4.5Å; Y18-K22 HydrophobicContact CE1-CB 4.47Å; Y18-K22 HydrophobicContact CE1-CD 4.42Å; Y18-K22 HydrophobicContact CE1-CG 3.77Å; Y18-K22 HydrophobicContact CE2-CG 4.2Å; Y18-K22 HydrophobicContact CG-CG 4.44Å; Y18-K22 VanDerWaalsContact O-CB 3.28Å; Y18-K22 WeakPolarHBondContact O-CB 3.05Å; Y18-K22 VanDerWaalsContact O-CG 3.24Å; Y18-K22 WeakPolarHBondContact O-CG 3.36Å; Y18-K22 PolarHBondContact O-N 3.03Å; Y18-K22 WeakPolarHBondContact OH-CE 3.42Å
19L79.3Confident72.6Confident94 Ų94106.2 Ų106.249%0.49258%0.577SS.*Hα-helixtrans-66.9-36.2176.5-74.1171.9000111.5L15 N16 K22 S23L15-L19 HydrophobicContact CD1-CD1 4.12Å; L15-L19 HydrophobicContact CD1-CG 4.22Å; L15-L19 HydrophobicContact CG-CD1 3.93Å; L15-L19 HydrophobicContact CG-CG 4.43Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.03Å; L15-L19 PolarHBondContact O-N 3.2Å; N16-L19 PolarHBondContact O-N 2.87Å; L19-K22 PolarHBondContact O-N 3.44Å; L19-S23 WeakPolarHBondContact O-CB 3.44Å; L19-S23 PolarHBondContact O-N 2.88Å; L19-S23 PolarHBondContact O-OG 2.9Å
20A73.6Confident71.7Confident65 Ų65103.6 Ų103.654%0.53757%0.57SS.*Hα-helixtrans-64.7-41.9175.200000111.9N16 D17 Y18 K22 S23N16-A20 WeakPolarHBondContact O-CB 3.32Å; N16-A20 PolarHBondContact O-N 3.03Å; D17-A20 PolarHBondContact O-N 3.5Å; Y18-A20 VanDerWaalsContact C-N 3.33Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 3.32Å; A20-S23 PolarHBondContact O-OG 2.83Å
21D73.2Confident70.9Confident146 Ų146106 Ų10678%0.78158%0.578SS**Hα-helixtrans-71.2-29.5179.1-156.4-101.4000112.4D17 Y18D17-D21 PolarHBondContact O-N 3.44Å; Y18-D21 PolarHBondContact O-N 2.9Å
22K73.8Confident69.8Low125 Ų125115.6 Ų115.654%0.54362%0.618SS.*Hα-helixtrans-97.5-5.2-178.9-66.1-89.2-178.4-177.80114Y18 L19 A20 Y24Y18-K22 HydrophobicContact CD1-CG 4.06Å; Y18-K22 HydrophobicContact CD2-CG 4.5Å; Y18-K22 HydrophobicContact CE1-CB 4.47Å; Y18-K22 HydrophobicContact CE1-CD 4.42Å; Y18-K22 HydrophobicContact CE1-CG 3.77Å; Y18-K22 HydrophobicContact CE2-CG 4.2Å; Y18-K22 HydrophobicContact CG-CG 4.44Å; Y18-K22 VanDerWaalsContact O-CB 3.28Å; Y18-K22 WeakPolarHBondContact O-CB 3.05Å; Y18-K22 VanDerWaalsContact O-CG 3.24Å; Y18-K22 WeakPolarHBondContact O-CG 3.36Å; Y18-K22 PolarHBondContact O-N 3.03Å; Y18-K22 WeakPolarHBondContact OH-CE 3.42Å; L19-K22 PolarHBondContact O-N 3.44Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 3.32Å; K22-Y24 PolarHBondContact O-N 3.29Å
23S66.2Low68.9Low63 Ų63117.8 Ų117.844%0.44162%0.624SS.*  trans-80.411517857.60000110.7L19 A20 I25L19-S23 WeakPolarHBondContact O-CB 3.44Å; L19-S23 PolarHBondContact O-N 2.88Å; L19-S23 PolarHBondContact O-OG 2.9Å; A20-S23 PolarHBondContact O-OG 2.83Å; S23-I25 PolarHBondContact O-N 3.32Å; S23-I25 VanDerWaalsContact O-N 3.08Å
24Y58.9Low67.8Low241 Ų241116 Ų11695%0.94563%0.627SS**SBendtrans-72.111.6172.2-89.6-95000114K22K22-Y24 PolarHBondContact O-N 3.29Å
25I62.1Low66.6Low111 Ų111119.5 Ų119.557%0.56964%0.642SS**SBendtrans-127.4108.3-178.6-57.7171.2000105.6S23 G27S23-I25 PolarHBondContact O-N 3.32Å; S23-I25 VanDerWaalsContact O-N 3.08Å; I25-G27 PolarHBondContact O-N 2.7Å
26E57Low65.8Low206 Ų206120.4 Ų120.496%0.96366%0.662SS**SBendtrans-68.278.9174.6-71.2-167.6137.500110.3
27G59.2Low64.9Low54 Ų54122.9 Ų122.956%0.55767%0.668SS**  trans72130177.700000113.9I25I25-G27 PolarHBondContact O-N 2.7Å
28L57.5Low63.8Low148 Ų148125.3 Ų125.378%0.77567%0.67SS**  trans-71.9133.3161.4-72.6101.9000108G30L28-G30 PolarHBondContact O-N 2.96Å
29P54.1Low63Low145 Ų145121.9 Ų121.994%0.94267%0.667SS**SBendtrans-70.731177.729.8-35.6000113.6
30G60.4Low62Low52 Ų52122.2 Ų122.254%0.53668%0.675SS.*  trans-108114.7-175.700000112.2L28 K32L28-G30 PolarHBondContact O-N 2.96Å; G30-K32 PolarHBondContact O-N 3.37Å
31V63.7Low61.2Low111 Ų111125.3 Ų125.367%0.67369%0.692SS**  trans-63.9124.7165.9-1790000108.6K33V31-K33 PolarHBondContact O-N 2.98Å; V31-K33 VanDerWaalsContact O-N 3.11Å
32K60Low60.3Low207 Ų207123.6 Ų123.690%0.969%0.692SS**  trans-58.2114.9174.5-64.5-178.5-176177.80109.1G30G30-K32 PolarHBondContact O-N 3.37Å
33K62.9Low59.3Low126 Ų126123.2 Ų123.255%0.54870%0.699SS.*  trans-117.1153175.9-72.6173.2-174.3161.10109.5V31 K37 Y38V31-K33 PolarHBondContact O-N 2.98Å; V31-K33 VanDerWaalsContact O-N 3.11Å; K33-K37 HydrophobicContact CB-CB 4.31Å; K33-K37 HydrophobicContact CD-CG 4.23Å; K33-Y38 HydrophobicContact CB-CE2 3.98Å
34S57.1Low58.3Low98 Ų98128.9 Ų128.969%0.68572%0.719SS**  trans-59.1150.6178.950.10000112G36 K37S34-G36 PolarHBondContact O-N 3.42Å; S34-G36 VanDerWaalsContact O-N 3.11Å; S34-K37 WeakPolarHBondContact O-CB 3.24Å; S34-K37 PolarHBondContact O-N 3.29Å
35L56.4Low57.6Low156 Ų156123.6 Ų123.682%0.81771%0.707SS**G310 helixtrans-56.1-32-171.4-16167.5000113K37 Y38L35-K37 PolarHBondContact O-N 2.91Å; L35-Y38 PolarHBondContact O-N 2.88Å; L35-Y38 VanDerWaalsContact O-N 3.15Å
36G62.5Low56.9Low63 Ų63124.9 Ų124.965%0.64972%0.72SS**G310 helixtrans-65.3-5176.200000115.9S34S34-G36 PolarHBondContact O-N 3.42Å; S34-G36 VanDerWaalsContact O-N 3.11Å
37K61.4Low56.2Low152 Ų152121.2 Ų121.266%0.66171%0.712SS**G310 helixtrans-90.7-17.3174.5-15873.8-176.9178.20113.3K33 S34 L35K33-K37 HydrophobicContact CB-CB 4.31Å; K33-K37 HydrophobicContact CD-CG 4.23Å; S34-K37 WeakPolarHBondContact O-CB 3.24Å; S34-K37 PolarHBondContact O-N 3.29Å; L35-K37 PolarHBondContact O-N 2.91Å
38Y59.9Low54.9Low163 Ų163121.9 Ų121.964%0.63972%0.719SS**SBendtrans-105.510.4-173.9-67.1-78.4000113.7K33 L35K33-Y38 HydrophobicContact CB-CE2 3.98Å; L35-Y38 PolarHBondContact O-N 2.88Å; L35-Y38 VanDerWaalsContact O-N 3.15Å
39G64Low53.7Low34 Ų34121.1 Ų121.135%0.35173%0.726SS.*SBendtrans-137.2168.3173.700000111.8S41G39-S41 PolarHBondContact O-N 2.82Å
40P58.8Low52.6Low101 Ų101117.7 Ų117.766%0.65672%0.717SS**  trans-57.5138.2176.525.7-33.1000109.6S42P40-S42 PolarHBondContact O-N 3.41Å
41S56.1Low51.4Low130 Ų130120.2 Ų120.291%0.90973%0.733SS**THydrogen-bonded Turntrans-65.318.3-170.1-59.80000116.1G39G39-S41 PolarHBondContact O-N 2.82Å
42S55.1Low49.9Very low110 Ų110119.6 Ų119.677%0.76974%0.739SS**THydrogen-bonded Turntrans-122.813.9-172.6-165.10000114.4P40P40-S42 PolarHBondContact O-N 3.41Å
43V51.4Low48.6Very low116 Ų116117.6 Ų117.670%0.70374%0.738SS**  trans-106.9108.5173.4-63.30000110.3
44E46Very low47.9Very low182 Ų182115.5 Ų115.585%0.8575%0.745SS**  trans-75.1148.6170.1-69.6-17496.200110.8T46E44-T46 PolarHBondContact O-N 2.91Å
45D43.3Very low47Very low131 Ų131120.4 Ų120.470%0.70175%0.754SS**  trans-67.7108.8-178.9-167.5-67.1000110.6T47D45-T47 PolarHBondContact OD1-N 3.42Å; D45-T47 PolarHBondContact OD1-OG1 3.07Å
46T49.1Very low46.2Very low137 Ų137119.8 Ų119.884%0.8475%0.751SS**  trans-104.354.2177.154.70000111.5E44 G48E44-T46 PolarHBondContact O-N 2.91Å; T46-G48 PolarHBondContact O-N 3.35Å
47T40.4Very low45.1Very low129 Ų129123.1 Ų123.179%0.79175%0.754SS**  trans-88.879.1163.654.30000110.8D45D45-T47 PolarHBondContact OD1-N 3.42Å; D45-T47 PolarHBondContact OD1-OG1 3.07Å
48G33.2Very low44.6Very low68 Ų68122.2 Ų122.270%0.70176%0.756SS**  trans-175.794.6175.300000117.1T46T46-G48 PolarHBondContact O-N 3.35Å
49S32Very low44.1Very low133 Ų133120.7 Ų120.793%0.9376%0.76SS**  trans81122.8147.3-160.80000120.4
50G31.3Very low43.3Very low73 Ų73124.4 Ų124.475%0.75377%0.77SS**  119.8108.9129.500000118
51A35.5Very low43.4Very low105 Ų105125 Ų12587%0.86877%0.767SS**  trans-48.3147.8174.700000118
52A31.3Very low43.5Very low97 Ų97126 Ų12680%0.80276%0.762SS**  -178.6131.2122.100000112.9
53D32.5Very low43.3Very low165 Ų165129.9 Ų129.988%0.88277%0.766SS**  trans53.7133.5145.7-124.9-117.1000123.6
54A48Very low43.3Very low82 Ų82127 Ų12768%0.67876%0.759SS**  trans-69.3135.8175.600000112.4
55K37.8Very low43Very low202 Ų202123.7 Ų123.788%0.87876%0.756SS**  172.1131.2122-93.2179.8-173.7-168.70109.3
56D39.6Very low42.9Very low142 Ų142124.7 Ų124.776%0.75976%0.761SS**  trans66.683.3154.5-134.447.2000117.1
57D41.1Very low42.5Very low134 Ų134125.3 Ų125.372%0.71776%0.76SS**  trans-113.327.4168.5-164.231.4000111.1
58D49.7Very low42.6Very low132 Ų132128.4 Ų128.471%0.70677%0.765SS**SBendtrans-10314.5171-100.6-67.3000111.4K89D58-K89 IonicContact OD1-NZ 3.13Å; D58-K89 PolarHBondContact OD1-NZ 2.7Å
59D50.3Low43.4Very low132 Ų132134.1 Ų134.171%0.70677%0.773SS**  trans-137.637.3174.7-160.330.1000113.5
60I46.3Very low44Very low112 Ų112132 Ų13257%0.57475%0.749SS**  trans-96.589.2155.4-61.6-168.3000107.6L62I60-L62 HydrophobicContact CB-CD1 4.44Å; I60-L62 HydrophobicContact CG2-CB 4.38Å; I60-L62 HydrophobicContact CG2-CD1 3.44Å; I60-L62 VanDerWaalsContact CG2-CD1 3.44Å; I60-L62 HydrophobicContact CG2-CG 3.56Å; I60-L62 PolarHBondContact O-N 3.07Å
61D62.1Low45.1Very low112 Ų112132.7 Ų132.760%0.59974%0.742SS**  trans-71.879.3164.6-173.111.5000110.3F63 G64D61-F63 PolarHBondContact O-N 3Å; D61-F63 VanDerWaalsContact O-N 3.1Å; D61-F63 WeakPolarHBondContact OD1-CA 3.28Å; D61-F63 PolarHBondContact OD1-N 3.28Å; D61-G64 PolarHBondContact O-N 3.09Å; D61-G64 VanDerWaalsContact O-N 3.17Å; D61-G64 PolarHBondContact OD1-N 3.17Å
62L57.8Low45.8Very low153 Ų153135.3 Ų135.380%0.80174%0.736SS**THydrogen-bonded Turntrans-64.80.4170.1-93.2141.5000113.4I60I60-L62 HydrophobicContact CB-CD1 4.44Å; I60-L62 HydrophobicContact CG2-CB 4.38Å; I60-L62 HydrophobicContact CG2-CD1 3.44Å; I60-L62 VanDerWaalsContact CG2-CD1 3.44Å; I60-L62 HydrophobicContact CG2-CG 3.56Å; I60-L62 PolarHBondContact O-N 3.07Å
63F51.7Low46.7Very low191 Ų191138.3 Ų138.384%0.83873%0.734SS**THydrogen-bonded Turntrans-113.111.9174-92.5-87.1000113.3D61 S65D61-F63 PolarHBondContact O-N 3Å; D61-F63 VanDerWaalsContact O-N 3.1Å; D61-F63 WeakPolarHBondContact OD1-CA 3.28Å; D61-F63 PolarHBondContact OD1-N 3.28Å; F63-S65 PolarHBondContact O-N 3.45Å
64G49.5Very low47.8Very low54 Ų54131.5 Ų131.556%0.55770%0.701SS**  trans-71.44217400000114.6D61D61-G64 PolarHBondContact O-N 3.09Å; D61-G64 VanDerWaalsContact O-N 3.17Å; D61-G64 PolarHBondContact OD1-N 3.17Å
65S41.1Very low48.3Very low114 Ų114134.1 Ų134.180%0.79770%0.697SS**  trans-131.142177-67.30000112.7F63F63-S65 PolarHBondContact O-N 3.45Å
66D39.8Very low49.3Very low152 Ų152131.9 Ų131.981%0.81369%0.687SS**SBendtrans-148.598.7156-15259.6000111.9
67D41.8Very low50.1Low150 Ų150130.3 Ų130.380%0.80268%0.678SS**  trans74.3126.3140.1-138.5-122000121.7E69D67-E69 PolarHBondContact O-N 3.27Å
68E43.3Very low51.1Low194 Ų194130.3 Ų130.391%0.90767%0.668SS**SBendtrans-97.758.9-155.9-162-176.613100111.3
69E49.1Very low51.6Low187 Ų187130.8 Ų130.887%0.87467%0.666SS**  trans-155.478171.5-135.3-178103.900112.6D67D67-E69 PolarHBondContact O-N 3.27Å
70E44.9Very low51.9Low88 Ų88130 Ų13041%0.41166%0.658SS.*  trans-113.7102.3177.5-110.5-163.435.300113.5A74 R78E70-A74 HydrophobicContact CB-CB 4.19Å; E70-A74 HydrophobicContact CG-CB 3.38Å; E70-A74 WeakPolarHBondContact OE1-CB 3.42Å; E70-R78 IonicContact OE1-CZ 2.74Å; E70-R78 IonicContact OE1-NE 2.76Å; E70-R78 IonicContact OE1-NH1 3.96Å; E70-R78 PolarHBondContact OE1-NH1 3.08Å; E70-R78 IonicContact OE1-NH2 3.96Å; E70-R78 PolarHBondContact OE1-NH2 3.48Å; E70-R78 IonicContact OE2-CZ 2.61Å; E70-R78 IonicContact OE2-NE 3.25Å; E70-R78 IonicContact OE2-NH1 3.06Å; E70-R78 IonicContact OE2-NH2 3.61Å; E70-R78 PolarHBondContact OE2-NH2 3.13Å
71S53.6Low52.5Low89 Ų89130 Ų13062%0.62265%0.651SS**  trans-55.4154.6169.3-167.50000112.5E73 A74S71-E73 PolarHBondContact O-N 3.21Å; S71-A74 PolarHBondContact O-N 2.93Å
72E51.4Low52.3Low159 Ų159130 Ų13074%0.74365%0.65SS**Hα-helixtrans-50.6-22.8-175.4-67.6-175.391.200114.9K76E72-K76 PolarHBondContact O-N 2.84Å
73E49.1Very low52.6Low160 Ų160124.9 Ų124.975%0.74863%0.63SS**Hα-helixtrans-68.5-32.9176.1-63.3-156.3101.300113.4S71 K76 L77S71-E73 PolarHBondContact O-N 3.21Å; E73-K76 PolarHBondContact O-N 3.43Å; E73-L77 PolarHBondContact O-N 3.21Å
74A55.3Low52.8Low23 Ų23119.1 Ų119.119%0.1961%0.606CS.*Hα-helixtrans-82.2-25.2-179.300000112.2E70 S71 L77 R78E70-A74 HydrophobicContact CB-CB 4.19Å; E70-A74 HydrophobicContact CG-CB 3.38Å; E70-A74 WeakPolarHBondContact OE1-CB 3.42Å; S71-A74 PolarHBondContact O-N 2.93Å; A74-L77 PolarHBondContact O-N 3.12Å; A74-R78 WeakPolarHBondContact O-CB 3.47Å; A74-R78 WeakPolarHBondContact O-CG 3.48Å; A74-R78 PolarHBondContact O-N 3.06Å
75K59Low52.7Low136 Ų136122.7 Ų122.759%0.59160%0.604SS**Hα-helixtrans-63.6-42.4165.2-65.4-174.6-178.4-176.60111.7R78 E79K75-R78 PolarHBondContact O-N 2.8Å; K75-E79 VanDerWaalsContact O-CB 3.31Å; K75-E79 WeakPolarHBondContact O-CB 3.42Å; K75-E79 PolarHBondContact O-N 3.45Å
76K59.7Low53.6Low155 Ų155124 Ų12467%0.67460%0.597SS**Hα-helixtrans-65.7-39.4173.3-71.9-179.3179.4-177.80112.4E72 E73 E79 E80E72-K76 PolarHBondContact O-N 2.84Å; E73-K76 PolarHBondContact O-N 3.43Å; K76-E79 PolarHBondContact O-N 3.15Å; K76-E80 VanDerWaalsContact O-CB 3.27Å; K76-E80 WeakPolarHBondContact O-CB 3.39Å; K76-E80 PolarHBondContact O-N 3.3Å
77L56.6Low54.5Low109 Ų109120.3 Ų120.357%0.57158%0.583SS**Hα-helixtrans-67.3-39.2176.2-162.182000111.6E73 A74 R81E73-L77 PolarHBondContact O-N 3.21Å; A74-L77 PolarHBondContact O-N 3.12Å; L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 WeakPolarHBondContact O-CG 3.46Å; L77-R81 PolarHBondContact O-N 2.72Å
78R60.3Low55.2Low134 Ų134118.7 Ų118.751%0.50657%0.569SS.*Hα-helixtrans-66.3-43.4173.6-75.1-159.6-162.4113.8-6.4111.7E70 A74 K75 R81 L82E70-R78 IonicContact OE1-CZ 2.74Å; E70-R78 IonicContact OE1-NE 2.76Å; E70-R78 IonicContact OE1-NH1 3.96Å; E70-R78 PolarHBondContact OE1-NH1 3.08Å; E70-R78 IonicContact OE1-NH2 3.96Å; E70-R78 PolarHBondContact OE1-NH2 3.48Å; E70-R78 IonicContact OE2-CZ 2.61Å; E70-R78 IonicContact OE2-NE 3.25Å; E70-R78 IonicContact OE2-NH1 3.06Å; E70-R78 IonicContact OE2-NH2 3.61Å; E70-R78 PolarHBondContact OE2-NH2 3.13Å; A74-R78 WeakPolarHBondContact O-CB 3.47Å; A74-R78 WeakPolarHBondContact O-CG 3.48Å; A74-R78 PolarHBondContact O-N 3.06Å; K75-R78 PolarHBondContact O-N 2.8Å; R78-R81 CarbonylContact O-C 3.59Å; R78-R81 PolarHBondContact O-N 3.28Å; R78-L82 WeakPolarHBondContact O-CB 3.35Å; R78-L82 WeakPolarHBondContact O-CD1 3.23Å; R78-L82 WeakPolarHBondContact O-CG 3.49Å; R78-L82 PolarHBondContact O-N 3.41Å
79E60.6Low55.8Low143 Ų143115.5 Ų115.567%0.66855%0.552SS**Hα-helixtrans-64.8-41.5177.6-165.717591.800111.6K75 K76 R81 L82 A83K75-E79 VanDerWaalsContact O-CB 3.31Å; K75-E79 WeakPolarHBondContact O-CB 3.42Å; K75-E79 PolarHBondContact O-N 3.45Å; K76-E79 PolarHBondContact O-N 3.15Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.74Å; E79-L82 PolarHBondContact O-N 3.19Å; E79-A83 WeakPolarHBondContact O-CB 3.27Å; E79-A83 PolarHBondContact O-N 2.88Å
80E57.5Low56Low114 Ų114109.8 Ų109.853%0.53354%0.537SS..Hα-helixtrans-63.1-37.7173-172.3178.787.900111.4K76 Q84K76-E80 VanDerWaalsContact O-CB 3.27Å; K76-E80 WeakPolarHBondContact O-CB 3.39Å; K76-E80 PolarHBondContact O-N 3.3Å; E80-Q84 WeakPolarHBondContact O-CB 3.47Å; E80-Q84 VanDerWaalsContact O-CG 3.23Å; E80-Q84 WeakPolarHBondContact O-CG 3.38Å; E80-Q84 PolarHBondContact O-N 2.82Å
81R58.1Low56.3Low114 Ų114113.4 Ų113.443%0.4355%0.552SS.*Hα-helixtrans-72.2-37.8176.1-68-73.9-80.3-176.6-9.8111.8L77 R78 E79 Q84 Y85L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 WeakPolarHBondContact O-CG 3.46Å; L77-R81 PolarHBondContact O-N 2.72Å; R78-R81 CarbonylContact O-C 3.59Å; R78-R81 PolarHBondContact O-N 3.28Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.74Å; R81-Q84 CarbonylContact O-C 3.51Å; R81-Q84 WeakPolarHBondContact O-CB 3.35Å; R81-Q84 PolarHBondContact O-N 2.69Å; R81-Y85 WeakPolarHBondContact O-CB 3.14Å; R81-Y85 WeakPolarHBondContact O-CD2 3.35Å; R81-Y85 PolarHBondContact O-N 3.25Å
82L58.8Low56.1Low110 Ų110116.7 Ų116.758%0.57656%0.555SS**Hα-helixtrans-63.8-43.7173.2-81.9150.4000110.7R78 E79 Q84 Y85 E86R78-L82 WeakPolarHBondContact O-CB 3.35Å; R78-L82 WeakPolarHBondContact O-CD1 3.23Å; R78-L82 WeakPolarHBondContact O-CG 3.49Å; R78-L82 PolarHBondContact O-N 3.41Å; E79-L82 PolarHBondContact O-N 3.19Å; L82-Q84 VanDerWaalsContact C-N 3.35Å; L82-Q84 PolarHBondContact O-N 3.22Å; L82-Y85 CarbonylContact O-C 3.5Å; L82-Y85 WeakPolarHBondContact O-CA 3.39Å; L82-Y85 PolarHBondContact O-N 3.17Å; L82-E86 PolarHBondContact O-N 3.12Å
83A62.4Low55.9Low47 Ų47115.3 Ų115.339%0.38856%0.559SS.*Hα-helixtrans-63.9-38.4173.200000112.1E79 Y85 S87E79-A83 WeakPolarHBondContact O-CB 3.27Å; E79-A83 PolarHBondContact O-N 2.88Å; A83-Y85 VanDerWaalsContact C-N 3.31Å; A83-S87 WeakPolarHBondContact O-CB 3.36Å; A83-S87 PolarHBondContact O-N 3.13Å; A83-S87 PolarHBondContact O-OG 3.24Å
84Q56.7Low56Low70 Ų70111 Ų11133%0.32755%0.552SS.*Hα-helixtrans-67-31.8171.6-74.9176.220.900112.4E80 R81 L82 K88E80-Q84 WeakPolarHBondContact O-CB 3.47Å; E80-Q84 VanDerWaalsContact O-CG 3.23Å; E80-Q84 WeakPolarHBondContact O-CG 3.38Å; E80-Q84 PolarHBondContact O-N 2.82Å; R81-Q84 CarbonylContact O-C 3.51Å; R81-Q84 WeakPolarHBondContact O-CB 3.35Å; R81-Q84 PolarHBondContact O-N 2.69Å; L82-Q84 VanDerWaalsContact C-N 3.35Å; L82-Q84 PolarHBondContact O-N 3.22Å; Q84-K88 WeakPolarHBondContact O-CB 3.49Å; Q84-K88 WeakPolarHBondContact O-CD 3.45Å; Q84-K88 WeakPolarHBondContact O-CG 3.46Å; Q84-K88 PolarHBondContact O-N 3.04Å; Q84-K88 VanDerWaalsContact O-N 3.12Å
85Y47.2Very low56Low129 Ų129117 Ų11751%0.50659%0.585SS.*Hα-helixtrans-80.1-34.2176.9-85.7-66000112.4R81 L82 A83 K88 K89R81-Y85 WeakPolarHBondContact O-CB 3.14Å; R81-Y85 WeakPolarHBondContact O-CD2 3.35Å; R81-Y85 PolarHBondContact O-N 3.25Å; L82-Y85 CarbonylContact O-C 3.5Å; L82-Y85 WeakPolarHBondContact O-CA 3.39Å; L82-Y85 PolarHBondContact O-N 3.17Å; A83-Y85 VanDerWaalsContact C-N 3.31Å; Y85-K88 CarbonylContact O-C 3.48Å; Y85-K88 PolarHBondContact O-N 2.72Å; Y85-K89 WeakPolarHBondContact O-CB 3.31Å; Y85-K89 PolarHBondContact O-N 3.23Å
86E60.5Low56Low141 Ų141113.2 Ų113.266%0.65957%0.573SS**Hα-helixtrans-64.6-45.4168.5-80.1-175.3147.600110.2L82 K88 K89 A90L82-E86 PolarHBondContact O-N 3.12Å; E86-K88 PolarHBondContact O-N 2.9Å; E86-K88 VanDerWaalsContact O-N 3.15Å; E86-K89 PolarHBondContact O-N 3.01Å; E86-A90 WeakPolarHBondContact O-CB 3.37Å; E86-A90 PolarHBondContact O-N 2.75Å
87S58Low56.7Low75 Ų75108.4 Ų108.452%0.52456%0.562SS.*Hα-helixtrans-61.6-23173.3-600000113.1A83 K91A83-S87 WeakPolarHBondContact O-CB 3.36Å; A83-S87 PolarHBondContact O-N 3.13Å; A83-S87 PolarHBondContact O-OG 3.24Å; S87-K91 WeakPolarHBondContact O-CG 3.21Å
88K56.7Low57.8Low115 Ų115107.1 Ų107.150%0.555%0.552SS.*Hα-helixtrans-95.2-31.3175.9-74.7171.8-176176.50112.9Q84 Y85 E86 A90 K91Q84-K88 WeakPolarHBondContact O-CB 3.49Å; Q84-K88 WeakPolarHBondContact O-CD 3.45Å; Q84-K88 WeakPolarHBondContact O-CG 3.46Å; Q84-K88 PolarHBondContact O-N 3.04Å; Q84-K88 VanDerWaalsContact O-N 3.12Å; Y85-K88 CarbonylContact O-C 3.48Å; Y85-K88 PolarHBondContact O-N 2.72Å; E86-K88 PolarHBondContact O-N 2.9Å; E86-K88 VanDerWaalsContact O-N 3.15Å; K88-A90 VanDerWaalsContact C-N 3.33Å; K88-K91 WeakPolarHBondContact O-CB 3.22Å; K88-K91 PolarHBondContact O-N 2.82Å
89K56.1Low59Low127 Ų127100.8 Ų100.855%0.55253%0.528SS*.Hα-helixtrans-69.4-33.7171-84.4-170.3174.2-178.20110.1D58 Y85 E86 K91 K92D58-K89 IonicContact OD1-NZ 3.13Å; D58-K89 PolarHBondContact OD1-NZ 2.7Å; Y85-K89 WeakPolarHBondContact O-CB 3.31Å; Y85-K89 PolarHBondContact O-N 3.23Å; E86-K89 PolarHBondContact O-N 3.01Å; K89-K91 PolarHBondContact O-N 3.21Å; K89-K92 PolarHBondContact O-N 3.29Å
90A54.3Low60.3Low68 Ų6894.3 Ų94.356%0.56250%0.499SS*.THydrogen-bonded Turntrans-69.8-8.817100000114.2E86 K88 K92E86-A90 WeakPolarHBondContact O-CB 3.37Å; E86-A90 PolarHBondContact O-N 2.75Å; K88-A90 VanDerWaalsContact C-N 3.33Å; A90-K92 VanDerWaalsContact C-N 3.31Å
91K50.4Low61.8Low164 Ų16489 Ų8971%0.71347%0.474SS*.THydrogen-bonded Turntrans-887.3170.7-73.2176.1-176.7-177.60113.5S87 K88 K89S87-K91 WeakPolarHBondContact O-CG 3.21Å; K88-K91 WeakPolarHBondContact O-CB 3.22Å; K88-K91 PolarHBondContact O-N 2.82Å; K89-K91 PolarHBondContact O-N 3.21Å
92K48.9Very low63.4Low158 Ų15885.5 Ų85.569%0.68746%0.464SS*.SBendtrans-67.9126.2154.3-68.6-178.1-178.4-179.80105.8K89 A90 A94K89-K92 PolarHBondContact O-N 3.29Å; A90-K92 VanDerWaalsContact C-N 3.31Å; K92-A94 PolarHBondContact O-N 3.43Å
93P46.8Very low64.8Low129 Ų12980.5 Ų80.584%0.83844%0.438SS*.  trans-68.484.3177.328.8-32.4000107.8
94A52.8Low66.1Low71 Ų7179 Ų7959%0.58742%0.423SS*.  trans-55.5146.7154.300000106.2K92 V96K92-A94 PolarHBondContact O-N 3.43Å; A94-V96 VanDerWaalsContact O-CG2 3.3Å; A94-V96 WeakPolarHBondContact O-CG2 3.31Å; A94-V96 PolarHBondContact O-N 2.74Å
95V55.1Low67.6Low148 Ų14875.7 Ų75.790%0.89741%0.408SS*.  trans-65.188.7177.4179.60000106.9A97V95-A97 PolarHBondContact O-N 3.19Å
96V58.5Low69.6Low56 Ų5672.5 Ų72.534%0.33940%0.396SS..  trans-73.6100.5-179.6-172.30000106.2A94 K98 E153A94-V96 VanDerWaalsContact O-CG2 3.3Å; A94-V96 WeakPolarHBondContact O-CG2 3.31Å; A94-V96 PolarHBondContact O-N 2.74Å; V96-K98 HydrophobicContact CG1-CG 4.24Å; V96-K98 PolarHBondContact O-N 2.7Å; V96-E153 HydrophobicContact CG1-CB 3.59Å; V96-E153 VanDerWaalsContact CG1-CD 3.48Å; V96-E153 HydrophobicContact CG1-CG 3.47Å; V96-E153 VanDerWaalsContact CG1-CG 3.47Å
97A73.4Confident70.9Confident54 Ų5465.8 Ų65.845%0.44637%0.365SS..  trans-60.3123.5166.500000107.1V95 D154V95-A97 PolarHBondContact O-N 3.19Å; A97-D154 HydrophobicContact CB-CB 4.38Å; A97-D154 PolarHBondContact O-N 2.78Å
98K81.5Confident72.1Confident82 Ų8269 Ų6936%0.35737%0.366SS..EExtended strand (participates in β ladder)trans-110.2140.8176.7-73.4174.6-171.9-179.50107V96 V151 V152 E153 I184V96-K98 HydrophobicContact CG1-CG 4.24Å; V96-K98 PolarHBondContact O-N 2.7Å; K98-V151 HydrophobicContact CB-CG1 4.33Å; K98-V152 CarbonylContact C-O 3.57Å; K98-V152 VanDerWaalsContact CA-O 3.31Å; K98-V152 WeakPolarHBondContact CA-O 3.3Å; K98-E153 WeakPolarHBondContact CE-OE1 3.5Å; K98-E153 HydrophobicContact CG-CG 4.16Å; K98-E153 IonicContact NZ-OE1 2.63Å; K98-I184 HydrophobicContact CB-CD1 3.69Å; K98-I184 HydrophobicContact CB-CG1 3.51Å; K98-I184 PolarHBondContact N-O 3.21Å; K98-I184 WeakPolarHBondContact O-CG1 3.45Å; K98-I184 PolarHBondContact O-N 3.09Å
99S85.5Confident73.2Confident1 Ų167 Ų671%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-122.1129.4174.3-69.30000108.5V151 V152 D154 F181 N182S99-V151 WeakPolarHBondContact O-CA 3.37Å; S99-V152 PolarHBondContact N-O 3.05Å; S99-V152 WeakPolarHBondContact O-CG2 3.21Å; S99-V152 PolarHBondContact O-N 2.9Å; S99-D154 WeakPolarHBondContact CB-OD2 3.45Å; S99-D154 PolarHBondContact N-OD2 3.04Å; S99-D154 VanDerWaalsContact OG-CG 3.25Å; S99-D154 PolarHBondContact OG-OD1 3.27Å; S99-D154 VanDerWaalsContact OG-OD1 3.06Å; S99-D154 PolarHBondContact OG-OD2 3.02Å; S99-F181 WeakPolarHBondContact OG-CZ 3.15Å; S99-N182 CarbonylContact C-O 3.54Å
100S87.8Confident74.2Confident8 Ų865.8 Ų65.86%0.05636%0.36CS..EExtended strand (participates in β ladder)trans-98121.5171.2-167.10000110Q149 C150 N182S100-Q149 WeakPolarHBondContact OG-CG 3.46Å; S100-Q149 PolarHBondContact OG-NE2 3.01Å; S100-C150 CarbonylContact C-O 3.55Å; S100-C150 VanDerWaalsContact CA-O 3.26Å; S100-C150 WeakPolarHBondContact CA-O 3.19Å; S100-C150 PolarHBondContact OG-O 3.1Å; S100-N182 PolarHBondContact N-O 3.03Å; S100-N182 PolarHBondContact O-N 2.76Å
101I88.6Confident75.1Confident2 Ų271.1 Ų71.11%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-118132.7-172-43.6-179000107.8L103 Q149 C150 V152 T159 V178 A180 F181I101-L103 HydrophobicContact CG2-CD2 4.04Å; I101-L103 HydrophobicContact CG2-CG 4.2Å; I101-Q149 CarbonylContact O-C 3.58Å; I101-Q149 WeakPolarHBondContact O-CA 3.49Å; I101-C150 PolarHBondContact N-O 3.02Å; I101-C150 PolarHBondContact O-N 3.42Å; I101-V152 HydrophobicContact CD1-CG2 3.7Å; I101-V152 HydrophobicContact CG1-CG2 4.28Å; I101-T159 HydrophobicContact CD1-CG2 3.25Å; I101-V178 HydrophobicContact CG2-CG1 3.94Å; I101-A180 WeakPolarHBondContact CA-O 3.01Å; I101-F181 HydrophobicContact CD1-CD2 3.85Å; I101-F181 HydrophobicContact CD1-CE2 3.74Å; I101-F181 HydrophobicContact CG1-CD2 3.66Å; I101-F181 HydrophobicContact CG1-CE2 3.85Å; I101-F181 HydrophobicContact CG2-CD2 4.36Å
102L90.9Very high76.3Confident41 Ų4164.4 Ų64.422%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-98.5115.1169.3-84.1162.7000108Q147 Q149 A179 A180L102-Q147 HydrophobicContact CD2-CG 3.87Å; L102-Q149 HydrophobicContact CD2-CB 4Å; L102-A179 HydrophobicContact CB-CB 4.17Å; L102-A179 WeakPolarHBondContact O-CB 3.45Å; L102-A179 PolarHBondContact O-N 2.64Å; L102-A180 HydrophobicContact CB-CB 4.11Å; L102-A180 HydrophobicContact CD1-CB 4.02Å; L102-A180 PolarHBondContact N-O 3.31Å; L102-A180 PolarHBondContact O-N 2.82Å
103L89.3Confident77.7Confident4 Ų460.1 Ų60.12%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-104.1124.2-178.2-60.7158.3000108I101 W131 Q147 I148 C150 I166 M176I101-L103 HydrophobicContact CG2-CD2 4.04Å; I101-L103 HydrophobicContact CG2-CG 4.2Å; L103-W131 HydrophobicContact CD1-CH2 4.19Å; L103-W131 HydrophobicContact CD1-CZ3 3.85Å; L103-Q147 CarbonylContact O-C 3.55Å; L103-Q147 WeakPolarHBondContact O-CA 3.47Å; L103-I148 HydrophobicContact CB-CG2 3.91Å; L103-I148 HydrophobicContact CD1-CG2 4.38Å; L103-I148 PolarHBondContact N-O 2.95Å; L103-I148 PolarHBondContact O-N 3.2Å; L103-C150 HydrophobicContact CD1-CB 4.22Å; L103-C150 WeakPolarHBondContact CD1-SG 3.37Å; L103-I166 HydrophobicContact CD1-CD1 4.3Å; L103-M176 HydrophobicContact CD2-CE 3.15Å
104D90.1Very high79Confident16 Ų1655.9 Ų55.99%0.08630%0.3CS..EExtended strand (participates in β ladder)trans-98113.7171-82.20.5000108.2K145 L146 Q147 D177 A179D104-K145 HydrophobicContact CB-CD 4.3Å; D104-K145 WeakPolarHBondContact OD2-CD 3.49Å; D104-K145 WeakPolarHBondContact OD2-CE 3.28Å; D104-K145 IonicContact OD2-NZ 2.74Å; D104-K145 PolarHBondContact OD2-NZ 3.42Å; D104-L146 WeakPolarHBondContact CA-O 3.26Å; D104-Q147 WeakPolarHBondContact OD1-CB 3.35Å; D104-Q147 WeakPolarHBondContact OD1-CG 3.42Å; D104-Q147 PolarHBondContact OD1-NE2 3.37Å; D104-D177 HydrophobicContact CB-CB 4.23Å; D104-D177 PolarHBondContact N-O 3.08Å; D104-D177 PolarHBondContact O-N 3.35Å; D104-A179 HydrophobicContact CB-CB 4.43Å
105V87.4Confident80.4Confident0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-101.7119.1175.8-170.20000108.6L117 L146 I166 V173V105-L117 HydrophobicContact CB-CD2 4.25Å; V105-L117 HydrophobicContact CG1-CD1 4.27Å; V105-L117 HydrophobicContact CG1-CD2 3.9Å; V105-L146 HydrophobicContact CB-CB 4.41Å; V105-L146 PolarHBondContact N-O 2.75Å; V105-L146 PolarHBondContact O-N 3.15Å; V105-I166 HydrophobicContact CG1-CG2 4.37Å; V105-I166 HydrophobicContact CG2-CG2 4.2Å; V105-V173 HydrophobicContact CG1-CB 4.17Å; V105-V173 HydrophobicContact CG1-CG1 3.61Å; V105-V173 HydrophobicContact CG1-CG2 3.56Å
106K88.3Confident81.7Confident62 Ų6254.2 Ų54.227%0.2728%0.276SS..EExtended strand (participates in β ladder)trans-99.6117.7-179-171.3176171.2660109.3Q174 S175K106-Q174 VanDerWaalsContact CD-OE1 3.31Å; K106-Q174 WeakPolarHBondContact O-CB 3.31Å; K106-Q174 PolarHBondContact O-N 3.4Å; K106-S175 PolarHBondContact N-O 3.3Å; K106-S175 PolarHBondContact O-N 2.89Å
107P87.9Confident82.8Confident1 Ų151.7 Ų51.71%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-74.8166173.732.4-35.2000111.2T112 M114 L117 I143 K144 Y172P107-T112 HydrophobicContact CB-CG2 4.1Å; P107-M114 HydrophobicContact CB-SD 4.49Å; P107-M114 HydrophobicContact CG-CE 4.24Å; P107-M114 HydrophobicContact CG-SD 4.05Å; P107-L117 HydrophobicContact CB-CD1 4.21Å; P107-I143 HydrophobicContact CG-CG2 4.45Å; P107-K144 WeakPolarHBondContact CD-O 3.11Å; P107-K144 WeakPolarHBondContact CG-O 3.33Å; P107-Y172 WeakPolarHBondContact CA-O 3.47Å
108W83.6Confident83.3Confident141 Ų14151.5 Ų51.553%0.53425%0.25SS..SBendtrans-64.9-41.7175.2-76.7102.5000113.1E170 V173 Q174W108-E170 PolarHBondContact NE1-O 2.83Å; W108-V173 PolarHBondContact NE1-O 2.96Å; W108-Q174 HydrophobicContact CD2-CB 3.88Å; W108-Q174 HydrophobicContact CD2-CG 4.33Å; W108-Q174 HydrophobicContact CE3-CB 4.21Å; W108-Q174 HydrophobicContact CE3-CG 4.17Å; W108-Q174 HydrophobicContact CG-CB 4.18Å; W108-Q174 HydrophobicContact CH2-CG 4.36Å; W108-Q174 HydrophobicContact CZ2-CB 4.44Å; W108-Q174 HydrophobicContact CZ3-CG 4.19Å
109D81Confident83.6Confident75 Ų7553.4 Ų53.440%0.40126%0.261SS..  trans-158.5169.4-176.6-155.618.1000113.6E111 T112D109-E111 PolarHBondContact O-N 3.28Å; D109-T112 WeakPolarHBondContact O-CB 3.49Å; D109-T112 PolarHBondContact O-N 3.06Å; D109-T112 VanDerWaalsContact O-N 3.1Å; D109-T112 PolarHBondContact O-OG1 3.46Å; D109-T112 VanDerWaalsContact O-OG1 3.05Å
110D75.8Confident83.5Confident100 Ų10055 Ų5554%0.53527%0.271SS..THydrogen-bonded Turntrans-68.1-15.3-179.977.5-40.1000114.9T112D110-T112 VanDerWaalsContact C-N 3.29Å
111E74.3Confident83.4Confident180 Ų18054.6 Ų54.684%0.84127%0.268SS*.THydrogen-bonded Turntrans-76.2-11.1169.3-83.3-163.4110.900114D109 D113D109-E111 PolarHBondContact O-N 3.28Å; E111-D113 PolarHBondContact O-N 3.45Å
112T74.9Confident83.2Confident24 Ų2458.9 Ų58.915%0.14728%0.284CS..SBendtrans-70.9130.2-177.3-540000110.7P107 D109 D110 M114 Y172P107-T112 HydrophobicContact CB-CG2 4.1Å; D109-T112 WeakPolarHBondContact O-CB 3.49Å; D109-T112 PolarHBondContact O-N 3.06Å; D109-T112 VanDerWaalsContact O-N 3.1Å; D109-T112 PolarHBondContact O-OG1 3.46Å; D109-T112 VanDerWaalsContact O-OG1 3.05Å; D110-T112 VanDerWaalsContact C-N 3.29Å; T112-M114 PolarHBondContact O-N 3.41Å; T112-Y172 HydrophobicContact CG2-CD1 3.86Å
113D78.4Confident83.1Confident68 Ų6860.6 Ų60.636%0.36430%0.3SS..  trans-70.397.9-177.3-162.4-25.5000111.1E111 T115 K116 L117E111-D113 PolarHBondContact O-N 3.45Å; D113-T115 PolarHBondContact O-N 3.19Å; D113-T115 PolarHBondContact OD1-N 3.36Å; D113-K116 HydrophobicContact CB-CB 4.25Å; D113-K116 HydrophobicContact CB-CD 4.32Å; D113-K116 HydrophobicContact CB-CG 4.08Å; D113-K116 PolarHBondContact O-N 3.34Å; D113-K116 VanDerWaalsContact O-N 3.15Å; D113-K116 IonicContact OD2-NZ 2.85Å; D113-K116 PolarHBondContact OD2-NZ 2.87Å; D113-L117 PolarHBondContact O-N 3.29Å; D113-L117 VanDerWaalsContact O-N 3.11Å
114M74.4Confident82.9Confident39 Ų3960.6 Ų60.619%0.19230%0.3CS..Hα-helixtrans-61.1-27.6-175.1-56.6-59.2-78.700112.8P107 T112 E118 L136 K144 L146P107-M114 HydrophobicContact CB-SD 4.49Å; P107-M114 HydrophobicContact CG-CE 4.24Å; P107-M114 HydrophobicContact CG-SD 4.05Å; T112-M114 PolarHBondContact O-N 3.41Å; M114-E118 PolarHBondContact O-N 2.9Å; M114-E118 VanDerWaalsContact O-N 3.11Å; M114-L136 HydrophobicContact CB-CD2 4.48Å; M114-L136 HydrophobicContact CE-CD2 3.52Å; M114-K144 HydrophobicContact CE-CB 4.25Å; M114-K144 VanDerWaalsContact CE-O 3.23Å; M114-K144 WeakPolarHBondContact CE-O 3.47Å; M114-L146 HydrophobicContact CE-CB 4.49Å
115T81.3Confident82.4Confident92 Ų9268.2 Ų68.256%0.56434%0.335SS*.Hα-helixtrans-71.4-44177.8-56.80000110.6D113 L117 E118 E119D113-T115 PolarHBondContact O-N 3.19Å; D113-T115 PolarHBondContact OD1-N 3.36Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 2.72Å; T115-E118 PolarHBondContact O-N 2.78Å; T115-E119 WeakPolarHBondContact O-CG 3.35Å; T115-E119 PolarHBondContact O-N 2.83Å
116K82.4Confident82Confident93 Ų9369.3 Ų69.340%0.40434%0.344SS..Hα-helixtrans-63.9-39.9175.7-65.5-164.9-175.5880112D113 E118 E119 C120D113-K116 HydrophobicContact CB-CB 4.25Å; D113-K116 HydrophobicContact CB-CD 4.32Å; D113-K116 HydrophobicContact CB-CG 4.08Å; D113-K116 PolarHBondContact O-N 3.34Å; D113-K116 VanDerWaalsContact O-N 3.15Å; D113-K116 IonicContact OD2-NZ 2.85Å; D113-K116 PolarHBondContact OD2-NZ 2.87Å; K116-E118 VanDerWaalsContact C-N 3.32Å; K116-E118 PolarHBondContact O-N 2.8Å; K116-E119 PolarHBondContact O-N 3.47Å; K116-C120 WeakPolarHBondContact O-CB 3.4Å; K116-C120 PolarHBondContact O-N 2.9Å; K116-C120 PolarHBondContact O-SG 3.46Å
117L82.2Confident81.5Confident2 Ų272 Ų721%0.0136%0.361CS..Hα-helixtrans-60.4-45.4176.1-169.8159.2000110.5V105 P107 D113 T115 C120 V121 L146 V173V105-L117 HydrophobicContact CB-CD2 4.25Å; V105-L117 HydrophobicContact CG1-CD1 4.27Å; V105-L117 HydrophobicContact CG1-CD2 3.9Å; P107-L117 HydrophobicContact CB-CD1 4.21Å; D113-L117 PolarHBondContact O-N 3.29Å; D113-L117 VanDerWaalsContact O-N 3.11Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 2.72Å; L117-C120 PolarHBondContact O-N 3.25Å; L117-V121 HydrophobicContact CD2-CG2 4.08Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.11Å; L117-L146 HydrophobicContact CD2-CB 4.27Å; L117-L146 HydrophobicContact CD2-CD2 3.38Å; L117-L146 HydrophobicContact CD2-CG 4.45Å; L117-V173 HydrophobicContact CD1-CG2 4.26Å; L117-V173 HydrophobicContact CG-CG2 4.41Å
118E84.1Confident81Confident50 Ų5072.8 Ų72.823%0.23437%0.37CS..Hα-helixtrans-63.5-41175.5-173.6174.2154.700112.1M114 T115 K116 V121 R122 S134 L146M114-E118 PolarHBondContact O-N 2.9Å; M114-E118 VanDerWaalsContact O-N 3.11Å; T115-E118 PolarHBondContact O-N 2.78Å; K116-E118 VanDerWaalsContact C-N 3.32Å; K116-E118 PolarHBondContact O-N 2.8Å; E118-V121 PolarHBondContact O-N 3.05Å; E118-R122 HydrophobicContact CG-CG 4.32Å; E118-R122 WeakPolarHBondContact O-CB 3.22Å; E118-R122 VanDerWaalsContact O-CG 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.3Å; E118-R122 PolarHBondContact O-N 2.92Å; E118-R122 IonicContact OE1-CZ 3.19Å; E118-R122 IonicContact OE1-NE 3.66Å; E118-R122 PolarHBondContact OE1-NE 2.93Å; E118-R122 IonicContact OE1-NH2 2.77Å; E118-R122 PolarHBondContact OE1-NH2 3.06Å; E118-S134 PolarHBondContact OE1-OG 2.89Å; E118-S134 PolarHBondContact OE2-OG 2.87Å; E118-L146 HydrophobicContact CB-CD2 4.12Å; E118-L146 HydrophobicContact CG-CD2 4.49Å
119E86.6Confident81.1Confident123 Ų12367 Ų6758%0.57535%0.349SS*.Hα-helixtrans-62.9-43175.6-72.6177.8121.900112.1T115 K116 R122 S123T115-E119 WeakPolarHBondContact O-CG 3.35Å; T115-E119 PolarHBondContact O-N 2.83Å; K116-E119 PolarHBondContact O-N 3.47Å; E119-R122 PolarHBondContact O-N 2.71Å; E119-S123 VanDerWaalsContact O-CB 3.31Å; E119-S123 WeakPolarHBondContact O-CB 3.31Å; E119-S123 PolarHBondContact O-N 3.15Å
120C84.1Confident81.3Confident33 Ų3367.7 Ų67.722%0.22336%0.356CS..Hα-helixtrans-60.4-48.6174.9-72.50000111.1K116 L117 R122 S123 F169K116-C120 WeakPolarHBondContact O-CB 3.4Å; K116-C120 PolarHBondContact O-N 2.9Å; K116-C120 PolarHBondContact O-SG 3.46Å; L117-C120 PolarHBondContact O-N 3.25Å; C120-R122 VanDerWaalsContact C-N 3.35Å; C120-R122 PolarHBondContact O-N 2.86Å; C120-S123 WeakPolarHBondContact O-CB 3.45Å; C120-S123 PolarHBondContact O-N 3.34Å; C120-S123 PolarHBondContact O-OG 3.23Å; C120-F169 HydrophobicContact CB-CD1 4.35Å; C120-F169 HydrophobicContact CB-CE1 4.19Å; C120-F169 HydrophobicContact CB-CE2 4.42Å; C120-F169 HydrophobicContact CB-CZ 4.23Å
121V85.3Confident82Confident1 Ų164.8 Ų64.81%0.00634%0.338CS..Hα-helixtrans-62.9-42.2177.7176.30000111L117 E118 S123 I124 W131 I148L117-V121 HydrophobicContact CD2-CG2 4.08Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 3.11Å; E118-V121 PolarHBondContact O-N 3.05Å; V121-S123 VanDerWaalsContact C-N 3.29Å; V121-S123 PolarHBondContact O-N 2.77Å; V121-I124 WeakPolarHBondContact O-CB 3.27Å; V121-I124 PolarHBondContact O-N 2.86Å; V121-W131 HydrophobicContact CG1-CD2 4.48Å; V121-W131 HydrophobicContact CG1-CE3 4.15Å; V121-W131 HydrophobicContact CG1-CH2 3.43Å; V121-W131 VanDerWaalsContact CG1-CH2 3.43Å; V121-W131 HydrophobicContact CG1-CZ2 3.79Å; V121-W131 HydrophobicContact CG1-CZ3 3.61Å; V121-W131 VanDerWaalsContact O-CE2 3.22Å; V121-W131 VanDerWaalsContact O-CZ2 3.22Å; V121-W131 WeakPolarHBondContact O-CZ2 3.15Å; V121-W131 PolarHBondContact O-NE1 2.85Å; V121-I148 HydrophobicContact CG1-CD1 3.9Å; V121-I148 HydrophobicContact CG1-CG2 4.34Å
122R86.1Confident82.7Confident91 Ų9157.5 Ų57.534%0.34331%0.31SS..Hα-helixtrans-70.5-22.6177.2-72.8-177.2-175.1-70.2-3.6113.8E118 E119 C120 I124 G132 S134E118-R122 HydrophobicContact CG-CG 4.32Å; E118-R122 WeakPolarHBondContact O-CB 3.22Å; E118-R122 VanDerWaalsContact O-CG 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.3Å; E118-R122 PolarHBondContact O-N 2.92Å; E118-R122 IonicContact OE1-CZ 3.19Å; E118-R122 IonicContact OE1-NE 3.66Å; E118-R122 PolarHBondContact OE1-NE 2.93Å; E118-R122 IonicContact OE1-NH2 2.77Å; E118-R122 PolarHBondContact OE1-NH2 3.06Å; E119-R122 PolarHBondContact O-N 2.71Å; C120-R122 VanDerWaalsContact C-N 3.35Å; C120-R122 PolarHBondContact O-N 2.86Å; R122-I124 PolarHBondContact O-N 3.41Å; R122-G132 PolarHBondContact NH1-O 3.49Å; R122-G132 PolarHBondContact NH2-O 3.21Å; R122-S134 PolarHBondContact NH2-OG 3.15Å
123S87.8Confident83.4Confident77 Ų7760.2 Ų60.254%0.53833%0.33SS..Hα-helixtrans-71.2-20.6177.177.10000113E119 C120 V121 Q125E119-S123 VanDerWaalsContact O-CB 3.31Å; E119-S123 WeakPolarHBondContact O-CB 3.31Å; E119-S123 PolarHBondContact O-N 3.15Å; C120-S123 WeakPolarHBondContact O-CB 3.45Å; C120-S123 PolarHBondContact O-N 3.34Å; C120-S123 PolarHBondContact O-OG 3.23Å; V121-S123 VanDerWaalsContact C-N 3.29Å; V121-S123 PolarHBondContact O-N 2.77Å; S123-Q125 PolarHBondContact O-N 3.11Å
124I85.2Confident83.9Confident5 Ų558.6 Ų58.63%0.02633%0.325CS..  trans-63.9110172.6-60.8166.1000108.4V121 R122 L129 W131 L162 Q165 I166 F169V121-I124 WeakPolarHBondContact O-CB 3.27Å; V121-I124 PolarHBondContact O-N 2.86Å; R122-I124 PolarHBondContact O-N 3.41Å; I124-L129 HydrophobicContact CG2-CD2 3.87Å; I124-W131 HydrophobicContact CB-CZ2 4.11Å; I124-W131 HydrophobicContact CD1-CZ2 4.36Å; I124-W131 HydrophobicContact CG2-CZ2 4.4Å; I124-W131 PolarHBondContact O-NE1 2.95Å; I124-L162 HydrophobicContact CG2-CD2 4.39Å; I124-Q165 HydrophobicContact CD1-CB 3.86Å; I124-Q165 HydrophobicContact CG1-CB 4.26Å; I124-I166 HydrophobicContact CD1-CG1 3.78Å; I124-F169 HydrophobicContact CD1-CE2 4.21Å; I124-F169 HydrophobicContact CG1-CE2 4.37Å
125Q80.6Confident84.5Confident176 Ų17662.1 Ų62.182%0.82234%0.339SS*.  trans-109.8126.4173.6-74-1771.200109.6S123S123-Q125 PolarHBondContact O-N 3.11Å
126A79.1Confident84.8Confident23 Ų2362 Ų6219%0.1933%0.334CS..  trans-139.3149.2171.300000109.5G128 L129 V157 M161A126-G128 PolarHBondContact O-N 3.47Å; A126-L129 HydrophobicContact CB-CB 3.92Å; A126-L129 HydrophobicContact CB-CD2 4.25Å; A126-L129 WeakPolarHBondContact O-CB 3.32Å; A126-L129 PolarHBondContact O-N 2.98Å; A126-L129 VanDerWaalsContact O-N 3.09Å; A126-V157 HydrophobicContact CB-CG2 4.19Å; A126-M161 HydrophobicContact CB-CE 3.83Å; A126-M161 HydrophobicContact CB-SD 4.38Å
127D76.3Confident85Confident117 Ų11759.5 Ų59.563%0.62633%0.326SS*.THydrogen-bonded Turntrans-67.3113.5178-171.4-112.3000109.8K156 V157D127-K156 VanDerWaalsContact OD1-CD 3.31Å; D127-K156 WeakPolarHBondContact OD1-CD 3.32Å; D127-K156 IonicContact OD1-NZ 2.71Å; D127-K156 PolarHBondContact OD1-NZ 3.27Å; D127-V157 WeakPolarHBondContact O-CG2 3.43Å
128G78.7Confident85.3Confident18 Ų1864 Ų6419%0.18636%0.356CS..THydrogen-bonded Turntrans95.62.8-174.700000115A126 V152 E153A126-G128 PolarHBondContact O-N 3.47Å; G128-V152 WeakPolarHBondContact O-CA 3.34Å; G128-E153 PolarHBondContact O-N 3.38Å
129L84.1Confident85.2Confident21 Ų2165 Ų6511%0.1137%0.365CS..EExtended strand (participates in β ladder)trans-96124.2172.5-179.670.1000111I124 A126 W131 C150 V152 V157 L162I124-L129 HydrophobicContact CG2-CD2 3.87Å; A126-L129 HydrophobicContact CB-CB 3.92Å; A126-L129 HydrophobicContact CB-CD2 4.25Å; A126-L129 WeakPolarHBondContact O-CB 3.32Å; A126-L129 PolarHBondContact O-N 2.98Å; A126-L129 VanDerWaalsContact O-N 3.09Å; L129-W131 HydrophobicContact CD1-CZ2 4.48Å; L129-W131 HydrophobicContact CD2-CZ2 3.79Å; L129-W131 HydrophobicContact CG-CZ2 4.48Å; L129-C150 HydrophobicContact CD1-CB 4.21Å; L129-V152 HydrophobicContact CD1-CG1 3.63Å; L129-V157 HydrophobicContact CB-CG2 4.49Å; L129-L162 HydrophobicContact CD1-CD1 3.86Å; L129-L162 HydrophobicContact CD1-CD2 3.62Å; L129-L162 HydrophobicContact CD1-CG 4.33Å; L129-L162 HydrophobicContact CD2-CD2 3.65Å; L129-L162 HydrophobicContact CG-CD2 4.27Å
130V87.1Confident84.9Confident89 Ų8960.8 Ų60.854%0.53936%0.355SS..EExtended strand (participates in β ladder)trans-124.1119.2173.8-179.10000109.7C150 V151V130-C150 CarbonylContact O-C 3.47Å; V130-C150 WeakPolarHBondContact O-CA 3.18Å; V130-V151 HydrophobicContact CB-CB 4.29Å; V130-V151 PolarHBondContact N-O 2.81Å; V130-V151 PolarHBondContact O-N 3Å
131W90.4Very high84.6Confident39 Ų3970.5 Ų70.515%0.14839%0.388CS..EExtended strand (participates in β ladder)trans-78.7128.8172.8-65.8111.2000111L103 V121 I124 L129 I148 C150 L162 I166L103-W131 HydrophobicContact CD1-CH2 4.19Å; L103-W131 HydrophobicContact CD1-CZ3 3.85Å; V121-W131 HydrophobicContact CG1-CD2 4.48Å; V121-W131 HydrophobicContact CG1-CE3 4.15Å; V121-W131 HydrophobicContact CG1-CH2 3.43Å; V121-W131 VanDerWaalsContact CG1-CH2 3.43Å; V121-W131 HydrophobicContact CG1-CZ2 3.79Å; V121-W131 HydrophobicContact CG1-CZ3 3.61Å; V121-W131 VanDerWaalsContact O-CE2 3.22Å; V121-W131 VanDerWaalsContact O-CZ2 3.22Å; V121-W131 WeakPolarHBondContact O-CZ2 3.15Å; V121-W131 PolarHBondContact O-NE1 2.85Å; I124-W131 HydrophobicContact CB-CZ2 4.11Å; I124-W131 HydrophobicContact CD1-CZ2 4.36Å; I124-W131 HydrophobicContact CG2-CZ2 4.4Å; I124-W131 PolarHBondContact O-NE1 2.95Å; L129-W131 HydrophobicContact CD1-CZ2 4.48Å; L129-W131 HydrophobicContact CD2-CZ2 3.79Å; L129-W131 HydrophobicContact CG-CZ2 4.48Å; W131-I148 HydrophobicContact CD2-CD1 4.34Å; W131-I148 HydrophobicContact CE3-CD1 3.62Å; W131-I148 HydrophobicContact CE3-CG1 3.97Å; W131-I148 HydrophobicContact CZ3-CD1 4.06Å; W131-I148 HydrophobicContact CZ3-CG1 4.31Å; W131-I148 HydrophobicContact CZ3-CG2 4.11Å; W131-C150 HydrophobicContact CE3-CB 3.69Å; W131-C150 HydrophobicContact CH2-CB 4.49Å; W131-C150 HydrophobicContact CZ3-CB 3.69Å; W131-L162 HydrophobicContact CH2-CD2 4.34Å; W131-L162 HydrophobicContact CZ2-CD2 4.26Å; W131-I166 HydrophobicContact CH2-CD1 4.23Å
132G88.5Confident84.1Confident26 Ų2673 Ų7327%0.26841%0.414SS..EExtended strand (participates in β ladder)trans-96.7-151.617700000113.1R122 Q149R122-G132 PolarHBondContact NH1-O 3.49Å; R122-G132 PolarHBondContact NH2-O 3.21Å; G132-Q149 VanDerWaalsContact CA-O 3.3Å; G132-Q149 WeakPolarHBondContact CA-O 3.05Å; G132-Q149 PolarHBondContact N-O 3.39Å
133S88.6Confident84Confident81 Ų8170.2 Ų70.257%0.56641%0.406SS*.EExtended strand (participates in β ladder)trans-71.9137.9176.753.30000111.6Q149S133-Q149 PolarHBondContact O-N 3.46Å
134S88.7Confident83.8Confident35 Ų3571.7 Ų71.725%0.24540%0.402CS..EExtended strand (participates in β ladder)trans-100.3150.4166.455.90000110.1E118 R122 Q147E118-S134 PolarHBondContact OE1-OG 2.89Å; E118-S134 PolarHBondContact OE2-OG 2.87Å; R122-S134 PolarHBondContact NH2-OG 3.15Å; S134-Q147 CarbonylContact C-O 3.53Å; S134-Q147 WeakPolarHBondContact CA-O 3.25Å
135K88.5Confident83.9Confident113 Ų11374 Ų7449%0.49141%0.412SS..EExtended strand (participates in β ladder)trans-142.1146.1170.266.3-179.9-178.9171.70109.7V137 Q147K135-V137 HydrophobicContact CD-CG2 4.3Å; K135-V137 HydrophobicContact CG-CG2 4.17Å; K135-Q147 HydrophobicContact CG-CB 3.83Å; K135-Q147 HydrophobicContact CG-CG 4.29Å; K135-Q147 PolarHBondContact N-O 2.66Å; K135-Q147 PolarHBondContact O-N 3.06Å
136L87Confident84.3Confident90 Ų9065.7 Ų65.747%0.47137%0.373SS..EExtended strand (participates in β ladder)trans-94.2118.6176.6-64.1170.4000109.1M114 K144 L146M114-L136 HydrophobicContact CB-CD2 4.48Å; M114-L136 HydrophobicContact CE-CD2 3.52Å; L136-K144 HydrophobicContact CB-CD 4.49Å; L136-L146 HydrophobicContact CD2-CB 4.37Å; L136-L146 HydrophobicContact CD2-CD1 3.64Å; L136-L146 HydrophobicContact CG-CD1 4.46Å
137V87.3Confident84.9Confident39 Ų3965.6 Ų65.624%0.23637%0.369CS..EExtended strand (participates in β ladder)trans-107.5121.2178.5-176.70000108.8K135 V139 K144 K145 Q147K135-V137 HydrophobicContact CD-CG2 4.3Å; K135-V137 HydrophobicContact CG-CG2 4.17Å; V137-V139 PolarHBondContact O-N 2.84Å; V137-K144 CarbonylContact O-C 3.6Å; V137-K144 WeakPolarHBondContact O-CA 3.47Å; V137-K145 HydrophobicContact CB-CG 3.92Å; V137-K145 PolarHBondContact N-O 3.3Å; V137-K145 VanDerWaalsContact O-CG 3.32Å; V137-K145 WeakPolarHBondContact O-CG 3.46Å; V137-K145 PolarHBondContact O-N 3.35Å; V137-Q147 HydrophobicContact CG2-CB 4.14Å
138P88.3Confident85.5Confident98 Ų9860 Ų6064%0.63634%0.339SS*.EExtended strand (participates in β ladder)trans-70.2129.617627.6-31.7000110.5K144P138-K144 HydrophobicContact CB-CG 4.46Å
139V81.4Confident86.1Confident70 Ų7062.3 Ų62.342%0.42435%0.345SS..EExtended strand (participates in β ladder)trans-102.2-14.3176.6-82.90000113V137 I143 K145V137-V139 PolarHBondContact O-N 2.84Å; V139-I143 HydrophobicContact CG2-CB 4.09Å; V139-I143 HydrophobicContact CG2-CG2 3.9Å; V139-I143 WeakPolarHBondContact CG2-O 3.41Å; V139-I143 PolarHBondContact N-O 3.38Å; V139-K145 HydrophobicContact CG1-CB 4.4Å; V139-K145 HydrophobicContact CG1-CD 3.57Å; V139-K145 HydrophobicContact CG1-CG 3.81Å
140G80.1Confident86.4Confident34 Ų3461.3 Ų61.335%0.35134%0.34SS..EExtended strand (participates in β ladder)trans122.7163.8178.600000111.9G142 I143G140-G142 PolarHBondContact O-N 2.98Å; G140-I143 PolarHBondContact O-N 2.98Å; G140-I143 VanDerWaalsContact O-N 3.08Å
141Y77.1Confident86.4Confident238 Ų23858.7 Ų58.793%0.93332%0.324SS*.THydrogen-bonded Turntrans55.432.7178.5-62.8-88.6000114.9I143Y141-I143 PolarHBondContact O-N 3.3Å
142G76.3Confident86.2Confident52 Ų5256.9 Ų56.954%0.53632%0.317SS..THydrogen-bonded Turntrans83.1-20-17800000114.4G140G140-G142 PolarHBondContact O-N 2.98Å
143I82.6Confident86Confident34 Ų3457.6 Ų57.617%0.17431%0.313CS..EExtended strand (participates in β ladder)trans-75129.7-178.6-53.8170.8000110.2P107 V139 G140 Y141P107-I143 HydrophobicContact CG-CG2 4.45Å; V139-I143 HydrophobicContact CG2-CB 4.09Å; V139-I143 HydrophobicContact CG2-CG2 3.9Å; V139-I143 WeakPolarHBondContact CG2-O 3.41Å; V139-I143 PolarHBondContact N-O 3.38Å; G140-I143 PolarHBondContact O-N 2.98Å; G140-I143 VanDerWaalsContact O-N 3.08Å; Y141-I143 PolarHBondContact O-N 3.3Å
144K83.7Confident85.5Confident107 Ų10757 Ų5747%0.46530%0.304SS..EExtended strand (participates in β ladder)trans-114.2135.6173.3-63.9172.8-172.6167.20108.3P107 M114 L136 V137 P138P107-K144 WeakPolarHBondContact CD-O 3.11Å; P107-K144 WeakPolarHBondContact CG-O 3.33Å; M114-K144 HydrophobicContact CE-CB 4.25Å; M114-K144 VanDerWaalsContact CE-O 3.23Å; M114-K144 WeakPolarHBondContact CE-O 3.47Å; L136-K144 HydrophobicContact CB-CD 4.49Å; V137-K144 CarbonylContact O-C 3.6Å; V137-K144 WeakPolarHBondContact O-CA 3.47Å; P138-K144 HydrophobicContact CB-CG 4.46Å
145K88.4Confident84.9Confident54 Ų5462.3 Ų62.324%0.23533%0.329CS..EExtended strand (participates in β ladder)trans-91.1143.9168.559.8178.8171169.50109.9D104 V137 V139D104-K145 HydrophobicContact CB-CD 4.3Å; D104-K145 WeakPolarHBondContact OD2-CD 3.49Å; D104-K145 WeakPolarHBondContact OD2-CE 3.28Å; D104-K145 IonicContact OD2-NZ 2.74Å; D104-K145 PolarHBondContact OD2-NZ 3.42Å; V137-K145 HydrophobicContact CB-CG 3.92Å; V137-K145 PolarHBondContact N-O 3.3Å; V137-K145 VanDerWaalsContact O-CG 3.32Å; V137-K145 WeakPolarHBondContact O-CG 3.46Å; V137-K145 PolarHBondContact O-N 3.35Å; V139-K145 HydrophobicContact CG1-CB 4.4Å; V139-K145 HydrophobicContact CG1-CD 3.57Å; V139-K145 HydrophobicContact CG1-CG 3.81Å
146L89.1Confident84.1Confident1 Ų161.9 Ų61.91%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-87.4114.9172.2-177.771.2000108D104 V105 M114 L117 E118 L136D104-L146 WeakPolarHBondContact CA-O 3.26Å; V105-L146 HydrophobicContact CB-CB 4.41Å; V105-L146 PolarHBondContact N-O 2.75Å; V105-L146 PolarHBondContact O-N 3.15Å; M114-L146 HydrophobicContact CE-CB 4.49Å; L117-L146 HydrophobicContact CD2-CB 4.27Å; L117-L146 HydrophobicContact CD2-CD2 3.38Å; L117-L146 HydrophobicContact CD2-CG 4.45Å; E118-L146 HydrophobicContact CB-CD2 4.12Å; E118-L146 HydrophobicContact CG-CD2 4.49Å; L136-L146 HydrophobicContact CD2-CB 4.37Å; L136-L146 HydrophobicContact CD2-CD1 3.64Å; L136-L146 HydrophobicContact CG-CD1 4.46Å
147Q90.1Very high83.3Confident22 Ų2257.7 Ų57.710%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-99.8109.5172.4-178.3157.334.500108.6L102 L103 D104 S134 K135 V137L102-Q147 HydrophobicContact CD2-CG 3.87Å; L103-Q147 CarbonylContact O-C 3.55Å; L103-Q147 WeakPolarHBondContact O-CA 3.47Å; D104-Q147 WeakPolarHBondContact OD1-CB 3.35Å; D104-Q147 WeakPolarHBondContact OD1-CG 3.42Å; D104-Q147 PolarHBondContact OD1-NE2 3.37Å; S134-Q147 CarbonylContact C-O 3.53Å; S134-Q147 WeakPolarHBondContact CA-O 3.25Å; K135-Q147 HydrophobicContact CG-CB 3.83Å; K135-Q147 HydrophobicContact CG-CG 4.29Å; K135-Q147 PolarHBondContact N-O 2.66Å; K135-Q147 PolarHBondContact O-N 3.06Å; V137-Q147 HydrophobicContact CG2-CB 4.14Å
148I90.9Very high82.7Confident0 Ų057.7 Ų57.70%031%0.313CS..EExtended strand (participates in β ladder)trans-114.8133.2-178.3-169.2166.4000110.7L103 V121 W131L103-I148 HydrophobicContact CB-CG2 3.91Å; L103-I148 HydrophobicContact CD1-CG2 4.38Å; L103-I148 PolarHBondContact N-O 2.95Å; L103-I148 PolarHBondContact O-N 3.2Å; V121-I148 HydrophobicContact CG1-CD1 3.9Å; V121-I148 HydrophobicContact CG1-CG2 4.34Å; W131-I148 HydrophobicContact CD2-CD1 4.34Å; W131-I148 HydrophobicContact CE3-CD1 3.62Å; W131-I148 HydrophobicContact CE3-CG1 3.97Å; W131-I148 HydrophobicContact CZ3-CD1 4.06Å; W131-I148 HydrophobicContact CZ3-CG1 4.31Å; W131-I148 HydrophobicContact CZ3-CG2 4.11Å
149Q91.1Very high82.1Confident66 Ų6655.4 Ų55.431%0.30830%0.298SS..EExtended strand (participates in β ladder)trans-86.2134.8171.5-173.2176.6-9.500109.3S100 I101 L102 G132 S133S100-Q149 WeakPolarHBondContact OG-CG 3.46Å; S100-Q149 PolarHBondContact OG-NE2 3.01Å; I101-Q149 CarbonylContact O-C 3.58Å; I101-Q149 WeakPolarHBondContact O-CA 3.49Å; L102-Q149 HydrophobicContact CD2-CB 4Å; G132-Q149 VanDerWaalsContact CA-O 3.3Å; G132-Q149 WeakPolarHBondContact CA-O 3.05Å; G132-Q149 PolarHBondContact N-O 3.39Å; S133-Q149 PolarHBondContact O-N 3.46Å
150C89.1Confident82.1Confident0 Ų057 Ų570%030%0.304CS..EExtended strand (participates in β ladder)trans-123.7158163.969.40000110.4S100 I101 L103 L129 V130 W131S100-C150 CarbonylContact C-O 3.55Å; S100-C150 VanDerWaalsContact CA-O 3.26Å; S100-C150 WeakPolarHBondContact CA-O 3.19Å; S100-C150 PolarHBondContact OG-O 3.1Å; I101-C150 PolarHBondContact N-O 3.02Å; I101-C150 PolarHBondContact O-N 3.42Å; L103-C150 HydrophobicContact CD1-CB 4.22Å; L103-C150 WeakPolarHBondContact CD1-SG 3.37Å; L129-C150 HydrophobicContact CD1-CB 4.21Å; V130-C150 CarbonylContact O-C 3.47Å; V130-C150 WeakPolarHBondContact O-CA 3.18Å; W131-C150 HydrophobicContact CE3-CB 3.69Å; W131-C150 HydrophobicContact CH2-CB 4.49Å; W131-C150 HydrophobicContact CZ3-CB 3.69Å
151V87.6Confident82.3Confident33 Ų3359.1 Ų59.120%0.231%0.306CS..EExtended strand (participates in β ladder)trans-122.1120.2170.71790000106.4K98 S99 V130 I184K98-V151 HydrophobicContact CB-CG1 4.33Å; S99-V151 WeakPolarHBondContact O-CA 3.37Å; V130-V151 HydrophobicContact CB-CB 4.29Å; V130-V151 PolarHBondContact N-O 2.81Å; V130-V151 PolarHBondContact O-N 3Å; V151-I184 HydrophobicContact CG1-CD1 3.85Å
152V86.9Confident82.5Confident1 Ų147.9 Ų47.91%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-113.2143.9178.9-66.40000110.1K98 S99 I101 G128 L129 V157 L162K98-V152 CarbonylContact C-O 3.57Å; K98-V152 VanDerWaalsContact CA-O 3.31Å; K98-V152 WeakPolarHBondContact CA-O 3.3Å; S99-V152 PolarHBondContact N-O 3.05Å; S99-V152 WeakPolarHBondContact O-CG2 3.21Å; S99-V152 PolarHBondContact O-N 2.9Å; I101-V152 HydrophobicContact CD1-CG2 3.7Å; I101-V152 HydrophobicContact CG1-CG2 4.28Å; G128-V152 WeakPolarHBondContact O-CA 3.34Å; L129-V152 HydrophobicContact CD1-CG1 3.63Å; V152-V157 HydrophobicContact CB-CB 4.24Å; V152-V157 HydrophobicContact CB-CG1 4.42Å; V152-V157 HydrophobicContact CG1-CB 4.31Å; V152-V157 HydrophobicContact CG1-CG1 3.96Å; V152-L162 HydrophobicContact CG1-CD1 3.62Å
153E83.3Confident82.8Confident41 Ų4148.8 Ų48.819%0.19225%0.252CS..EExtended strand (participates in β ladder)trans-83.4110.7163.4-65.5-169.3157.700108.4V96 K98 G128 D155 K156 V157V96-E153 HydrophobicContact CG1-CB 3.59Å; V96-E153 VanDerWaalsContact CG1-CD 3.48Å; V96-E153 HydrophobicContact CG1-CG 3.47Å; V96-E153 VanDerWaalsContact CG1-CG 3.47Å; K98-E153 WeakPolarHBondContact CE-OE1 3.5Å; K98-E153 HydrophobicContact CG-CG 4.16Å; K98-E153 IonicContact NZ-OE1 2.63Å; G128-E153 PolarHBondContact O-N 3.38Å; E153-D155 PolarHBondContact O-N 2.84Å; E153-K156 PolarHBondContact O-N 2.79Å; E153-K156 IonicContact OE2-NZ 3.73Å; E153-V157 PolarHBondContact O-N 2.79Å
154D78.3Confident82.9Confident70 Ų7053.8 Ų53.837%0.37428%0.275SS..THydrogen-bonded Turntrans-58.7-24.8-172.7-71.2-87.1000113.3A97 S99 K156A97-D154 HydrophobicContact CB-CB 4.38Å; A97-D154 PolarHBondContact O-N 2.78Å; S99-D154 WeakPolarHBondContact CB-OD2 3.45Å; S99-D154 PolarHBondContact N-OD2 3.04Å; S99-D154 VanDerWaalsContact OG-CG 3.25Å; S99-D154 PolarHBondContact OG-OD1 3.27Å; S99-D154 VanDerWaalsContact OG-OD1 3.06Å; S99-D154 PolarHBondContact OG-OD2 3.02Å; D154-K156 VanDerWaalsContact C-N 3.33Å
155D76Confident83Confident145 Ų14551.5 Ų51.578%0.77527%0.266SS*.THydrogen-bonded Turntrans-75.9-20.6-178.9-162.2-113.1000113.1E153E153-D155 PolarHBondContact O-N 2.84Å
156K71.8Confident82.8Confident104 Ų10449 Ų4945%0.45226%0.255SS..THydrogen-bonded Turntrans-124.5-36.7-171.5-66.6-178.2176.91780114.2D127 E153 D154D127-K156 VanDerWaalsContact OD1-CD 3.31Å; D127-K156 WeakPolarHBondContact OD1-CD 3.32Å; D127-K156 IonicContact OD1-NZ 2.71Å; D127-K156 PolarHBondContact OD1-NZ 3.27Å; E153-K156 PolarHBondContact O-N 2.79Å; E153-K156 IonicContact OE2-NZ 3.73Å; D154-K156 VanDerWaalsContact C-N 3.33Å
157V71.2Confident82.4Confident3 Ų352 Ų522%0.01827%0.273CS..  trans-117.4100.9-176.2-173.60000108.3A126 D127 L129 V152 E153 L162A126-V157 HydrophobicContact CB-CG2 4.19Å; D127-V157 WeakPolarHBondContact O-CG2 3.43Å; L129-V157 HydrophobicContact CB-CG2 4.49Å; V152-V157 HydrophobicContact CB-CB 4.24Å; V152-V157 HydrophobicContact CB-CG1 4.42Å; V152-V157 HydrophobicContact CG1-CB 4.31Å; V152-V157 HydrophobicContact CG1-CG1 3.96Å; E153-V157 PolarHBondContact O-N 2.79Å; V157-L162 HydrophobicContact CG1-CD1 4.48Å; V157-L162 HydrophobicContact CG1-CG 4.35Å
158G73.4Confident82.2Confident38 Ų3854.4 Ų54.439%0.39230%0.297SS..  trans-70.1148168.800000111D160 M161G158-D160 PolarHBondContact O-N 3.21Å; G158-M161 PolarHBondContact O-N 3.37Å
159T75.7Confident81.6Confident51 Ų5157.5 Ų57.531%0.31331%0.31SS..Hα-helixtrans-60-34.5173.6430000111.9I101 M161 L162 E163I101-T159 HydrophobicContact CD1-CG2 3.25Å; T159-M161 VanDerWaalsContact C-N 3.31Å; T159-M161 PolarHBondContact O-N 2.93Å; T159-L162 WeakPolarHBondContact O-CA 3.06Å; T159-L162 WeakPolarHBondContact O-CB 3.24Å; T159-L162 PolarHBondContact O-N 2.86Å; T159-E163 WeakPolarHBondContact O-CG 3.36Å; T159-E163 PolarHBondContact O-N 2.87Å
160D82Confident80.9Confident104 Ų10461.2 Ų61.256%0.55633%0.328SS*.Hα-helixtrans-56.1-42179.7-55.4-107.5000112.5G158 L162 E163 E164G158-D160 PolarHBondContact O-N 3.21Å; D160-L162 VanDerWaalsContact C-N 3.26Å; D160-L162 PolarHBondContact O-N 2.66Å; D160-E163 WeakPolarHBondContact O-CB 3.5Å; D160-E163 PolarHBondContact O-N 3.28Å; D160-E163 VanDerWaalsContact O-N 3.15Å; D160-E164 WeakPolarHBondContact O-CG 3.32Å; D160-E164 PolarHBondContact O-N 2.91Å
161M83.4Confident80.3Confident78 Ų7868 Ų6838%0.38436%0.364SS..Hα-helixtrans-62.7-34.2176.9177.2-173.1171.900112.1A126 G158 T159 Q165A126-M161 HydrophobicContact CB-CE 3.83Å; A126-M161 HydrophobicContact CB-SD 4.38Å; G158-M161 PolarHBondContact O-N 3.37Å; T159-M161 VanDerWaalsContact C-N 3.31Å; T159-M161 PolarHBondContact O-N 2.93Å; M161-Q165 WeakPolarHBondContact O-CG 3.5Å; M161-Q165 PolarHBondContact O-N 2.82Å; M161-Q165 PolarHBondContact O-NE2 3.44Å
162L81.8Confident79.9Confident2 Ų270.3 Ų70.31%0.0137%0.37CS..Hα-helixtrans-72.8-40.7176.1-65.9173000110.8I124 L129 W131 V152 V157 T159 D160 Q165 I166I124-L162 HydrophobicContact CG2-CD2 4.39Å; L129-L162 HydrophobicContact CD1-CD1 3.86Å; L129-L162 HydrophobicContact CD1-CD2 3.62Å; L129-L162 HydrophobicContact CD1-CG 4.33Å; L129-L162 HydrophobicContact CD2-CD2 3.65Å; L129-L162 HydrophobicContact CG-CD2 4.27Å; W131-L162 HydrophobicContact CH2-CD2 4.34Å; W131-L162 HydrophobicContact CZ2-CD2 4.26Å; V152-L162 HydrophobicContact CG1-CD1 3.62Å; V157-L162 HydrophobicContact CG1-CD1 4.48Å; V157-L162 HydrophobicContact CG1-CG 4.35Å; T159-L162 WeakPolarHBondContact O-CA 3.06Å; T159-L162 WeakPolarHBondContact O-CB 3.24Å; T159-L162 PolarHBondContact O-N 2.86Å; D160-L162 VanDerWaalsContact C-N 3.26Å; D160-L162 PolarHBondContact O-N 2.66Å; L162-Q165 PolarHBondContact O-N 2.81Å; L162-I166 HydrophobicContact CB-CD1 4.39Å; L162-I166 VanDerWaalsContact O-CB 3.28Å; L162-I166 WeakPolarHBondContact O-CB 3.29Å; L162-I166 WeakPolarHBondContact O-CD1 3.44Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.05Å
163E81.9Confident79.7Confident71 Ų7170.6 Ų70.633%0.33237%0.372SS..Hα-helixtrans-59.9-48.9175.7-62.4-168.8152.500110.8T159 D160 Q165 I166 T167 M176T159-E163 WeakPolarHBondContact O-CG 3.36Å; T159-E163 PolarHBondContact O-N 2.87Å; D160-E163 WeakPolarHBondContact O-CB 3.5Å; D160-E163 PolarHBondContact O-N 3.28Å; D160-E163 VanDerWaalsContact O-N 3.15Å; E163-Q165 PolarHBondContact O-N 3.35Å; E163-I166 PolarHBondContact O-N 3.1Å; E163-T167 VanDerWaalsContact O-CB 3.29Å; E163-T167 WeakPolarHBondContact O-CB 3.32Å; E163-T167 VanDerWaalsContact O-CG2 3.24Å; E163-T167 WeakPolarHBondContact O-CG2 3.41Å; E163-T167 PolarHBondContact O-N 2.84Å; E163-T167 PolarHBondContact O-OG1 3.46Å; E163-M176 HydrophobicContact CB-SD 4.33Å; E163-M176 HydrophobicContact CG-CE 3.53Å; E163-M176 HydrophobicContact CG-SD 3.67Å
164E85.2Confident79.7Confident139 Ų13972.6 Ų72.665%0.6538%0.381SS*.Hα-helixtrans-60.1-46.7179.3-72.5-177.397.700112.3D160 T167 A168D160-E164 WeakPolarHBondContact O-CG 3.32Å; D160-E164 PolarHBondContact O-N 2.91Å; E164-T167 PolarHBondContact O-OG1 2.77Å; E164-A168 VanDerWaalsContact O-CB 3.25Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.32Å
165Q85.3Confident80Confident59 Ų5971.1 Ų71.128%0.27638%0.376SS..Hα-helixtrans-70-37.3-179.5-76.8-178.682.900113.1I124 M161 L162 E163 F169I124-Q165 HydrophobicContact CD1-CB 3.86Å; I124-Q165 HydrophobicContact CG1-CB 4.26Å; M161-Q165 WeakPolarHBondContact O-CG 3.5Å; M161-Q165 PolarHBondContact O-N 2.82Å; M161-Q165 PolarHBondContact O-NE2 3.44Å; L162-Q165 PolarHBondContact O-N 2.81Å; E163-Q165 PolarHBondContact O-N 3.35Å; Q165-F169 WeakPolarHBondContact O-CD2 3.35Å; Q165-F169 WeakPolarHBondContact O-CE2 3.49Å
166I84.9Confident80.4Confident0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-72.3-40.8179.4-65.3166.5000110.2L103 V105 I124 W131 L162 E163 A168 F169 V173 M176L103-I166 HydrophobicContact CD1-CD1 4.3Å; V105-I166 HydrophobicContact CG1-CG2 4.37Å; V105-I166 HydrophobicContact CG2-CG2 4.2Å; I124-I166 HydrophobicContact CD1-CG1 3.78Å; W131-I166 HydrophobicContact CH2-CD1 4.23Å; L162-I166 HydrophobicContact CB-CD1 4.39Å; L162-I166 VanDerWaalsContact O-CB 3.28Å; L162-I166 WeakPolarHBondContact O-CB 3.29Å; L162-I166 WeakPolarHBondContact O-CD1 3.44Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.05Å; E163-I166 PolarHBondContact O-N 3.1Å; I166-A168 VanDerWaalsContact C-N 3.33Å; I166-F169 PolarHBondContact O-N 2.88Å; I166-V173 HydrophobicContact CG2-CG1 4.44Å; I166-M176 HydrophobicContact CG2-CB 4.12Å; I166-M176 HydrophobicContact CG2-CG 4.27Å
167T80.4Confident81.2Confident65 Ų6564.8 Ų64.840%0.39935%0.347SS..Hα-helixtrans-74-22.7178.256.90000113E163 E164 F169 E170 M176E163-T167 VanDerWaalsContact O-CB 3.29Å; E163-T167 WeakPolarHBondContact O-CB 3.32Å; E163-T167 VanDerWaalsContact O-CG2 3.24Å; E163-T167 WeakPolarHBondContact O-CG2 3.41Å; E163-T167 PolarHBondContact O-N 2.84Å; E163-T167 PolarHBondContact O-OG1 3.46Å; E164-T167 PolarHBondContact O-OG1 2.77Å; T167-F169 PolarHBondContact O-N 2.95Å; T167-E170 VanDerWaalsContact O-CG 3.32Å; T167-E170 WeakPolarHBondContact O-CG 3.23Å; T167-M176 HydrophobicContact CG2-CB 4.37Å
168A85.8Confident82Confident72 Ų7268.1 Ų68.160%0.59537%0.367SS*.THydrogen-bonded Turntrans-62.1-20.9171.900000113.5E164 I166 E170E164-A168 VanDerWaalsContact O-CB 3.25Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.32Å; I166-A168 VanDerWaalsContact C-N 3.33Å; A168-E170 PolarHBondContact O-N 3.44Å
169F79.5Confident82.7Confident65 Ų6568.5 Ų68.529%0.28537%0.366SS..  trans-8253.9172.4-61.9-72.5000111.7C120 I124 Q165 I166 T167 D171 Y172 V173C120-F169 HydrophobicContact CB-CD1 4.35Å; C120-F169 HydrophobicContact CB-CE1 4.19Å; C120-F169 HydrophobicContact CB-CE2 4.42Å; C120-F169 HydrophobicContact CB-CZ 4.23Å; I124-F169 HydrophobicContact CD1-CE2 4.21Å; I124-F169 HydrophobicContact CG1-CE2 4.37Å; Q165-F169 WeakPolarHBondContact O-CD2 3.35Å; Q165-F169 WeakPolarHBondContact O-CE2 3.49Å; I166-F169 PolarHBondContact O-N 2.88Å; T167-F169 PolarHBondContact O-N 2.95Å; F169-D171 PolarHBondContact O-N 3.29Å; F169-D171 VanDerWaalsContact O-N 3.1Å; F169-Y172 PolarHBondContact O-N 2.74Å; F169-V173 HydrophobicContact CB-CG2 4.23Å; F169-V173 PolarHBondContact O-N 2.97Å
170E75.5Confident83.3Confident145 Ų14567.7 Ų67.768%0.67836%0.364SS*.THydrogen-bonded Turntrans-56.8-26.8-176.2-63.8-173.814900113.3W108 T167 A168 Y172W108-E170 PolarHBondContact NE1-O 2.83Å; T167-E170 VanDerWaalsContact O-CG 3.32Å; T167-E170 WeakPolarHBondContact O-CG 3.23Å; A168-E170 PolarHBondContact O-N 3.44Å; E170-Y172 VanDerWaalsContact C-N 3.3Å; E170-Y172 PolarHBondContact O-N 2.8Å
171D77.3Confident83.5Confident141 Ų14166.9 Ų66.975%0.75436%0.356SS*.THydrogen-bonded Turntrans-67.8-26.9177.4-70.5-79.2000113.6F169F169-D171 PolarHBondContact O-N 3.29Å; F169-D171 VanDerWaalsContact O-N 3.1Å
172Y78Confident83.7Confident83 Ų8367.5 Ų67.533%0.32536%0.361SS..THydrogen-bonded Turntrans-116.2-28.1-174.6-62.4-84.2000112.8P107 T112 F169 E170P107-Y172 WeakPolarHBondContact CA-O 3.47Å; T112-Y172 HydrophobicContact CG2-CD1 3.86Å; F169-Y172 PolarHBondContact O-N 2.74Å; E170-Y172 VanDerWaalsContact C-N 3.3Å; E170-Y172 PolarHBondContact O-N 2.8Å
173V82.8Confident83.8Confident7 Ų775.6 Ų75.64%0.04240%0.396CS..EExtended strand (participates in β ladder)trans-110.3121.4-174.4-179.10000109.3V105 W108 L117 I166 F169 S175V105-V173 HydrophobicContact CG1-CB 4.17Å; V105-V173 HydrophobicContact CG1-CG1 3.61Å; V105-V173 HydrophobicContact CG1-CG2 3.56Å; W108-V173 PolarHBondContact NE1-O 2.96Å; L117-V173 HydrophobicContact CD1-CG2 4.26Å; L117-V173 HydrophobicContact CG-CG2 4.41Å; I166-V173 HydrophobicContact CG2-CG1 4.44Å; F169-V173 HydrophobicContact CB-CG2 4.23Å; F169-V173 PolarHBondContact O-N 2.97Å; V173-S175 WeakPolarHBondContact CG1-O 3.41Å
174Q84.4Confident83.5Confident82 Ų8279 Ų7938%0.38342%0.415SS..EExtended strand (participates in β ladder)trans-79.1-47.3170.5172178.988.400110.8K106 W108K106-Q174 VanDerWaalsContact CD-OE1 3.31Å; K106-Q174 WeakPolarHBondContact O-CB 3.31Å; K106-Q174 PolarHBondContact O-N 3.4Å; W108-Q174 HydrophobicContact CD2-CB 3.88Å; W108-Q174 HydrophobicContact CD2-CG 4.33Å; W108-Q174 HydrophobicContact CE3-CB 4.21Å; W108-Q174 HydrophobicContact CE3-CG 4.17Å; W108-Q174 HydrophobicContact CG-CB 4.18Å; W108-Q174 HydrophobicContact CH2-CG 4.36Å; W108-Q174 HydrophobicContact CZ2-CB 4.44Å; W108-Q174 HydrophobicContact CZ3-CG 4.19Å
175S83.8Confident83.4Confident39 Ų3976 Ų7627%0.27340%0.404SS..EExtended strand (participates in β ladder)trans-155.5158.8179.5680000111K106 V173K106-S175 PolarHBondContact N-O 3.3Å; K106-S175 PolarHBondContact O-N 2.89Å; V173-S175 WeakPolarHBondContact CG1-O 3.41Å
176M84.8Confident83.3Confident26 Ų2676.9 Ų76.913%0.12841%0.41CS..EExtended strand (participates in β ladder)trans-120.3135.8172165.1-88.3177.300108.6L103 E163 I166 T167 V178L103-M176 HydrophobicContact CD2-CE 3.15Å; E163-M176 HydrophobicContact CB-SD 4.33Å; E163-M176 HydrophobicContact CG-CE 3.53Å; E163-M176 HydrophobicContact CG-SD 3.67Å; I166-M176 HydrophobicContact CG2-CB 4.12Å; I166-M176 HydrophobicContact CG2-CG 4.27Å; T167-M176 HydrophobicContact CG2-CB 4.37Å; M176-V178 HydrophobicContact CE-CG2 3.8Å
177D88.5Confident83.2Confident91 Ų9181.2 Ų81.249%0.48743%0.433SS..EExtended strand (participates in β ladder)trans-129.6141.1-178.9-74.4-84.3000110.4D104 A179D104-D177 HydrophobicContact CB-CB 4.23Å; D104-D177 PolarHBondContact N-O 3.08Å; D104-D177 PolarHBondContact O-N 3.35Å; D177-A179 PolarHBondContact O-N 3.23Å
178V87.6Confident83.3Confident72 Ų7282.1 Ų82.144%0.43644%0.435SS..EExtended strand (participates in β ladder)trans-85.7105.9171.2-1790000109.2I101 M176I101-V178 HydrophobicContact CG2-CG1 3.94Å; M176-V178 HydrophobicContact CE-CG2 3.8Å
179A87.5Confident83.2Confident47 Ų4782.8 Ų82.839%0.38843%0.425SS..EExtended strand (participates in β ladder)trans-77.8-37.618000000112.6L102 D104 D177L102-A179 HydrophobicContact CB-CB 4.17Å; L102-A179 WeakPolarHBondContact O-CB 3.45Å; L102-A179 PolarHBondContact O-N 2.64Å; D104-A179 HydrophobicContact CB-CB 4.43Å; D177-A179 PolarHBondContact O-N 3.23Å
180A88.3Confident83.4Confident33 Ų3383.9 Ų83.927%0.27343%0.434SS..EExtended strand (participates in β ladder)trans-157.6150174.400000111.3I101 L102I101-A180 WeakPolarHBondContact CA-O 3.01Å; L102-A180 HydrophobicContact CB-CB 4.11Å; L102-A180 HydrophobicContact CD1-CB 4.02Å; L102-A180 PolarHBondContact N-O 3.31Å; L102-A180 PolarHBondContact O-N 2.82Å
181F86.3Confident84Confident88 Ų8879.6 Ų79.639%0.38642%0.417SS..EExtended strand (participates in β ladder)trans-129.6116.8176-177.1-88.2000108.9S99 I101 K183S99-F181 WeakPolarHBondContact OG-CZ 3.15Å; I101-F181 HydrophobicContact CD1-CD2 3.85Å; I101-F181 HydrophobicContact CD1-CE2 3.74Å; I101-F181 HydrophobicContact CG1-CD2 3.66Å; I101-F181 HydrophobicContact CG1-CE2 3.85Å; I101-F181 HydrophobicContact CG2-CD2 4.36Å; F181-K183 HydrophobicContact CD1-CG 4.38Å; F181-K183 HydrophobicContact CE1-CD 4.34Å; F181-K183 HydrophobicContact CE1-CG 3.64Å; F181-K183 HydrophobicContact CZ-CG 4.44Å
182N87.4Confident84.5Confident90 Ų9074.8 Ų74.848%0.48139%0.391SS..EExtended strand (participates in β ladder)trans-120.8122.8-179.9-63.9-66000109.7S99 S100S99-N182 CarbonylContact C-O 3.54Å; S100-N182 PolarHBondContact N-O 3.03Å; S100-N182 PolarHBondContact O-N 2.76Å
183K84.7Confident85.1Confident172 Ų17274.2 Ų74.275%0.74840%0.397SS*.EExtended strand (participates in β ladder)trans-78.6132.9171.8-61.4-174.7178.1-171.80109.4F181F181-K183 HydrophobicContact CD1-CG 4.38Å; F181-K183 HydrophobicContact CE1-CD 4.34Å; F181-K183 HydrophobicContact CE1-CG 3.64Å; F181-K183 HydrophobicContact CZ-CG 4.44Å
184I75Confident85.3Confident143 Ų14380.3 Ų80.373%0.73343%0.429SS*.  trans-126.30-178.358.4156.7000112.7K98 V151K98-I184 HydrophobicContact CB-CD1 3.69Å; K98-I184 HydrophobicContact CB-CG1 3.51Å; K98-I184 PolarHBondContact N-O 3.21Å; K98-I184 WeakPolarHBondContact O-CG1 3.45Å; K98-I184 PolarHBondContact O-N 3.09Å; V151-I184 HydrophobicContact CG1-CD1 3.85Å

Retrieved 184 of 184 residues in 71.9 ms (Link to these results)

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