A0A087WVV1_HUMAN Loading...

Proteasome 20S subunit beta 2

AlphaFold DB , UniProt , Accession A0A087WVV1, Species HUMAN (Homo sapiens, Human), Gene PSMB2, Length 84 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
1M86.8Confident93.6Very high151 Ų151118.4 Ų118.474%0.74465%0.654SS**  0128.50-170174.5-116.800106.6A5 A6 L7M1-A5 HydrophobicContact CE-CB 4.08Å; M1-A6 CarbonylContact C-O 3.53Å; M1-A6 WeakPolarHBondContact CA-O 3.29Å; M1-L7 HydrophobicContact CB-CD1 4.23Å
2D91.9Very high93.8Very high81 Ų81112.7 Ų112.743%0.43362%0.618SS.*  trans-90-177.4174.770.616.9000111.7L4 A5 A6D2-L4 PolarHBondContact O-N 3.19Å; D2-L4 WeakPolarHBondContact OD1-CA 3.32Å; D2-L4 PolarHBondContact OD1-N 3.39Å; D2-A5 PolarHBondContact O-N 3.48Å; D2-A5 VanDerWaalsContact O-N 3.17Å; D2-A5 PolarHBondContact OD1-N 3.32Å; D2-A6 PolarHBondContact N-O 3.06Å; D2-A6 WeakPolarHBondContact OD1-CB 3.4Å; D2-A6 PolarHBondContact OD1-N 3.34Å; D2-A6 VanDerWaalsContact OD2-CB 3.23Å; D2-A6 WeakPolarHBondContact OD2-CB 3.47Å
3Y91.6Very high94Very high226 Ų226109.2 Ų109.289%0.88661%0.614SS**THydrogen-bonded Turntrans-59.8-26.6-178.9178.8-103.1000113.6
4L95.2Very high94.2Very high142 Ų142103.5 Ų103.574%0.74359%0.587SS**THydrogen-bonded Turntrans-99.920-178.6-60.3-179.2000112.5D2 A6D2-L4 PolarHBondContact O-N 3.19Å; D2-L4 WeakPolarHBondContact OD1-CA 3.32Å; D2-L4 PolarHBondContact OD1-N 3.39Å; L4-A6 PolarHBondContact O-N 2.8Å
5A95.3Very high94.1Very high63 Ų63106.1 Ų106.152%0.52159%0.592SS.*  trans64.516.4-178.200000115M1 D2M1-A5 HydrophobicContact CE-CB 4.08Å; D2-A5 PolarHBondContact O-N 3.48Å; D2-A5 VanDerWaalsContact O-N 3.17Å; D2-A5 PolarHBondContact OD1-N 3.32Å
6A93.3Very high94.1Very high52 Ų52103.2 Ų103.243%0.4359%0.593SS.*  trans-69.9137.1171.900000110M1 D2 L4M1-A6 CarbonylContact C-O 3.53Å; M1-A6 WeakPolarHBondContact CA-O 3.29Å; D2-A6 PolarHBondContact N-O 3.06Å; D2-A6 WeakPolarHBondContact OD1-CB 3.4Å; D2-A6 PolarHBondContact OD1-N 3.34Å; D2-A6 VanDerWaalsContact OD2-CB 3.23Å; D2-A6 WeakPolarHBondContact OD2-CB 3.47Å; L4-A6 PolarHBondContact O-N 2.8Å
7L94.3Very high94.1Very high135 Ų135107.8 Ų107.871%0.70760%0.6SS**  trans-136.3122.5-178-176.166.9000110M1M1-L7 HydrophobicContact CB-CD1 4.23Å
8A94.3Very high94.1Very high89 Ų89102.6 Ų102.674%0.73658%0.575SS**  trans-129.4140.9172.900000109.4
9K95.8Very high94.2Very high218 Ų21897.7 Ų97.795%0.94855%0.55SS*.  trans-79.3121.6169.5-173.2178-178-179.90108.1
10A95Very high94.3Very high61 Ų61101.2 Ų101.250%0.50456%0.558SS.*  trans-136.5148.5178.900000110.4F12A10-F12 WeakPolarHBondContact CB-O 3.26Å; A10-F12 PolarHBondContact O-N 2.88Å
11P95.8Very high94.3Very high84 Ų8498.4 Ų98.455%0.54554%0.543SS..SBendtrans-69.7-22.217725.8-32.1000113.5Y30P11-Y30 HydrophobicContact CB-CD1 4.18Å; P11-Y30 HydrophobicContact CB-CE1 3.43Å; P11-Y30 VanDerWaalsContact CB-CE1 3.43Å; P11-Y30 HydrophobicContact CB-CE2 4.27Å; P11-Y30 VanDerWaalsContact CB-CZ 3.47Å; P11-Y30 WeakPolarHBondContact CB-OH 3.43Å; P11-Y30 HydrophobicContact CG-CE1 4.1Å
12F96.9Very high94.9Very high50 Ų5091.6 Ų91.622%0.21951%0.51CS..  trans-152.1159.217651.9-100.4000109.3A10 L23 L26 D27 Y30A10-F12 WeakPolarHBondContact CB-O 3.26Å; A10-F12 PolarHBondContact O-N 2.88Å; F12-L23 HydrophobicContact CD2-CD2 4.37Å; F12-L23 HydrophobicContact CE2-CD2 4.43Å; F12-L26 HydrophobicContact CB-CB 4.42Å; F12-L26 HydrophobicContact CB-CD1 4.36Å; F12-L26 HydrophobicContact CD1-CB 4.39Å; F12-L26 HydrophobicContact CD2-CB 3.57Å; F12-L26 HydrophobicContact CD2-CD1 4.04Å; F12-L26 HydrophobicContact CD2-CG 4.4Å; F12-L26 HydrophobicContact CE2-CB 3.86Å; F12-L26 HydrophobicContact CG-CB 3.87Å; F12-L26 HydrophobicContact CG-CD1 4.47Å; F12-L26 HydrophobicContact CZ-CB 4.4Å; F12-D27 HydrophobicContact CE2-CB 4.47Å; F12-D27 HydrophobicContact CZ-CB 3.97Å; F12-Y30 AromaticContact CD1-CD1 3.8Å; F12-Y30 HydrophobicContact CD1-CD1 3.8Å; F12-Y30 HydrophobicContact CD1-CD2 4.11Å; F12-Y30 HydrophobicContact CD1-CE1 4.45Å; F12-Y30 AromaticContact CD1-CG 3.61Å; F12-Y30 HydrophobicContact CD1-CG 3.61Å; F12-Y30 AromaticContact CE1-CD1 3.89Å; F12-Y30 HydrophobicContact CE1-CD1 3.89Å; F12-Y30 AromaticContact CE1-CG 4Å; F12-Y30 HydrophobicContact CE1-CG 4Å
13A95.9Very high95.2Very high68 Ų6891 Ų9156%0.56251%0.506SS*.  trans-151.1151.6176.700000110.8
14A96.3Very high95.4Very high29 Ų2984.2 Ų84.224%0.2449%0.492CS..  trans-138.6146.9167.500000108.1A19 L23 L26A14-A19 HydrophobicContact CB-CB 3.83Å; A14-A19 WeakPolarHBondContact O-CB 3.35Å; A14-L23 HydrophobicContact CB-CD2 4.08Å; A14-L23 HydrophobicContact CB-CG 4.23Å; A14-L26 HydrophobicContact CB-CD1 4.43Å
15H93.8Very high95.6Very high142 Ų14278.4 Ų78.466%0.65746%0.461SS*.  trans-122.2157.8-174.6-64.7-81.9000111.8
16G93.3Very high95.7Very high60 Ų6076.6 Ų76.662%0.61944%0.443SS*.SBendtrans65.3-162.1-179.500000113G18 A19G16-G18 PolarHBondContact O-N 3.35Å; G16-A19 VanDerWaalsContact O-CB 3.25Å; G16-A19 WeakPolarHBondContact O-CB 3.37Å; G16-A19 PolarHBondContact O-N 2.85Å; G16-A19 VanDerWaalsContact O-N 3.12Å
17Y93.9Very high96Very high181 Ų18179.8 Ų79.871%0.7145%0.453SS*.THydrogen-bonded Turntrans-64.5-26.9-175.5-67.4-72.5000114.1A19 F20Y17-A19 PolarHBondContact O-N 2.89Å; Y17-F20 HydrophobicContact CD1-CD2 4.34Å; Y17-F20 HydrophobicContact CD1-CE2 4.09Å; Y17-F20 WeakPolarHBondContact O-CD2 3.45Å; Y17-F20 PolarHBondContact O-N 3.45Å
18G93.8Very high96.1Very high15 Ų1582.4 Ų82.416%0.15545%0.453CS..THydrogen-bonded Turntrans-63.4-22.9176.300000113.3G16 F20 L21 T22G16-G18 PolarHBondContact O-N 3.35Å; G18-F20 VanDerWaalsContact C-N 3.32Å; G18-F20 PolarHBondContact O-N 2.93Å; G18-L21 PolarHBondContact O-N 2.88Å; G18-T22 WeakPolarHBondContact O-CG2 3.44Å; G18-T22 PolarHBondContact O-N 2.83Å; G18-T22 PolarHBondContact O-OG1 3.13Å
19A96.1Very high96.3Very high10 Ų1083.9 Ų83.98%0.08344%0.44CS..Hα-helixtrans-61.9-38.4178.300000112.4A14 G16 Y17 L21 T22 L23A14-A19 HydrophobicContact CB-CB 3.83Å; A14-A19 WeakPolarHBondContact O-CB 3.35Å; G16-A19 VanDerWaalsContact O-CB 3.25Å; G16-A19 WeakPolarHBondContact O-CB 3.37Å; G16-A19 PolarHBondContact O-N 2.85Å; G16-A19 VanDerWaalsContact O-N 3.12Å; Y17-A19 PolarHBondContact O-N 2.89Å; A19-L21 PolarHBondContact O-N 2.77Å; A19-L21 VanDerWaalsContact O-N 3.16Å; A19-T22 PolarHBondContact O-N 3.23Å; A19-L23 HydrophobicContact CB-CD1 3.91Å; A19-L23 HydrophobicContact CB-CG 4.18Å; A19-L23 WeakPolarHBondContact O-CB 3.31Å; A19-L23 VanDerWaalsContact O-CG 3.31Å; A19-L23 WeakPolarHBondContact O-CG 3.09Å; A19-L23 PolarHBondContact O-N 3.43Å
20F95.9Very high96.4Very high166 Ų16676.9 Ų76.973%0.72841%0.408SS*.Hα-helixtrans-62-24.6179.2-62.6-67.6000113.5Y17 G18Y17-F20 HydrophobicContact CD1-CD2 4.34Å; Y17-F20 HydrophobicContact CD1-CE2 4.09Å; Y17-F20 WeakPolarHBondContact O-CD2 3.45Å; Y17-F20 PolarHBondContact O-N 3.45Å; G18-F20 VanDerWaalsContact C-N 3.32Å; G18-F20 PolarHBondContact O-N 2.93Å
21L96Very high96.6Very high44 Ų4477 Ų7723%0.2340%0.403CS..Hα-helixtrans-97-18.8-178.4-60.9176000112.9G18 A19 L50 R53 F54G18-L21 PolarHBondContact O-N 2.88Å; A19-L21 PolarHBondContact O-N 2.77Å; A19-L21 VanDerWaalsContact O-N 3.16Å; L21-L50 HydrophobicContact CB-CD2 4.05Å; L21-L50 HydrophobicContact CD1-CD2 3.88Å; L21-R53 HydrophobicContact CD1-CB 3.87Å; L21-R53 HydrophobicContact CD2-CB 4Å; L21-F54 HydrophobicContact CD1-CB 3.96Å; L21-F54 HydrophobicContact CD1-CD2 4.31Å
22T97.8Very high96.6Very high8 Ų878.5 Ų78.55%0.04941%0.413CS..Hα-helixtrans-117.9-27.4-166.555.50000113.9G18 A19 S24 I25 L26 C46 L50G18-T22 WeakPolarHBondContact O-CG2 3.44Å; G18-T22 PolarHBondContact O-N 2.83Å; G18-T22 PolarHBondContact O-OG1 3.13Å; A19-T22 PolarHBondContact O-N 3.23Å; T22-S24 VanDerWaalsContact C-N 3.32Å; T22-S24 PolarHBondContact O-N 2.82Å; T22-I25 WeakPolarHBondContact O-CB 3.43Å; T22-I25 PolarHBondContact O-N 2.76Å; T22-L26 PolarHBondContact O-N 2.72Å; T22-C46 HydrophobicContact CG2-CB 3.63Å; T22-L50 HydrophobicContact CG2-CD1 4.17Å; T22-L50 HydrophobicContact CG2-CD2 3.92Å; T22-L50 HydrophobicContact CG2-CG 3.82Å
23L98.1Very high96.6Very high69 Ų6982.3 Ų82.336%0.36144%0.44SS..Hα-helixtrans-60-38.3-176.8-78.9172.8000113.1F12 A14 A19 I25 L26 D27F12-L23 HydrophobicContact CD2-CD2 4.37Å; F12-L23 HydrophobicContact CE2-CD2 4.43Å; A14-L23 HydrophobicContact CB-CD2 4.08Å; A14-L23 HydrophobicContact CB-CG 4.23Å; A19-L23 HydrophobicContact CB-CD1 3.91Å; A19-L23 HydrophobicContact CB-CG 4.18Å; A19-L23 WeakPolarHBondContact O-CB 3.31Å; A19-L23 VanDerWaalsContact O-CG 3.31Å; A19-L23 WeakPolarHBondContact O-CG 3.09Å; A19-L23 PolarHBondContact O-N 3.43Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 3.45Å; L23-L26 HydrophobicContact CD2-CD1 4.38Å; L23-L26 PolarHBondContact O-N 3.26Å; L23-D27 WeakPolarHBondContact O-CB 3.47Å; L23-D27 PolarHBondContact O-N 3.37Å
24S97.8Very high96.6Very high83 Ų8381.4 Ų81.458%0.5843%0.426SS*.Hα-helixtrans-67.4-29.6177.4580000113.1T22 R28T22-S24 VanDerWaalsContact C-N 3.32Å; T22-S24 PolarHBondContact O-N 2.82Å; S24-R28 VanDerWaalsContact O-CB 3.28Å; S24-R28 WeakPolarHBondContact O-CB 3.38Å; S24-R28 PolarHBondContact O-N 3.13Å; S24-R28 VanDerWaalsContact O-N 3.1Å
25I98.4Very high96.7Very high20 Ų2082.4 Ų82.410%0.10343%0.431CS..Hα-helixtrans-70.9-46174.5-53.7169.3000109T22 L23 R28 Y29 L42 K45 E49T22-I25 WeakPolarHBondContact O-CB 3.43Å; T22-I25 PolarHBondContact O-N 2.76Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 PolarHBondContact O-N 3.45Å; I25-R28 PolarHBondContact O-N 3.34Å; I25-Y29 HydrophobicContact CG2-CD2 3.8Å; I25-Y29 HydrophobicContact CG2-CE2 4.19Å; I25-Y29 VanDerWaalsContact O-CD2 3.25Å; I25-Y29 WeakPolarHBondContact O-CD2 3.5Å; I25-Y29 PolarHBondContact O-N 3.41Å; I25-Y29 VanDerWaalsContact O-N 3.09Å; I25-L42 HydrophobicContact CG2-CD1 3.78Å; I25-K45 HydrophobicContact CG2-CB 4.06Å; I25-E49 HydrophobicContact CD1-CB 3.79Å; I25-E49 HydrophobicContact CD1-CG 3.47Å; I25-E49 VanDerWaalsContact CD1-CG 3.47Å
26L98.4Very high96.7Very high25 Ų2580.3 Ų80.313%0.13142%0.417CS..Hα-helixtrans-59.3-50176.3-66.8169.4000110.7F12 A14 T22 L23 R28 Y29 Y30 L42F12-L26 HydrophobicContact CB-CB 4.42Å; F12-L26 HydrophobicContact CB-CD1 4.36Å; F12-L26 HydrophobicContact CD1-CB 4.39Å; F12-L26 HydrophobicContact CD2-CB 3.57Å; F12-L26 HydrophobicContact CD2-CD1 4.04Å; F12-L26 HydrophobicContact CD2-CG 4.4Å; F12-L26 HydrophobicContact CE2-CB 3.86Å; F12-L26 HydrophobicContact CG-CB 3.87Å; F12-L26 HydrophobicContact CG-CD1 4.47Å; F12-L26 HydrophobicContact CZ-CB 4.4Å; A14-L26 HydrophobicContact CB-CD1 4.43Å; T22-L26 PolarHBondContact O-N 2.72Å; L23-L26 HydrophobicContact CD2-CD1 4.38Å; L23-L26 PolarHBondContact O-N 3.26Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.71Å; L26-Y29 PolarHBondContact O-N 2.97Å; L26-Y30 WeakPolarHBondContact O-CB 3.41Å; L26-Y30 PolarHBondContact O-N 3.21Å; L26-L42 HydrophobicContact CD2-CD2 4.07Å; L26-L42 HydrophobicContact CD2-CG 4.06Å
27D97.9Very high96.8Very high119 Ų11983.2 Ų83.264%0.63641%0.414SS*.Hα-helixtrans-57.2-41.2178.8-171.970.5000112.8F12 L23F12-D27 HydrophobicContact CE2-CB 4.47Å; F12-D27 HydrophobicContact CZ-CB 3.97Å; L23-D27 WeakPolarHBondContact O-CB 3.47Å; L23-D27 PolarHBondContact O-N 3.37Å
28R98.1Very high97Very high189 Ų18981.9 Ų81.971%0.71341%0.408SS*.Hα-helixtrans-72.6-38.3-178.4-177.7174.3179.8101.41.4114.3S24 I25 L26S24-R28 VanDerWaalsContact O-CB 3.28Å; S24-R28 WeakPolarHBondContact O-CB 3.38Å; S24-R28 PolarHBondContact O-N 3.13Å; S24-R28 VanDerWaalsContact O-N 3.1Å; I25-R28 PolarHBondContact O-N 3.34Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.71Å
29Y98.1Very high97.2Very high120 Ų12083.1 Ų83.147%0.47142%0.417SS..Hα-helixtrans-111.6-14.4-166.9-66.8-72.4000114.1I25 L26 L42I25-Y29 HydrophobicContact CG2-CD2 3.8Å; I25-Y29 HydrophobicContact CG2-CE2 4.19Å; I25-Y29 VanDerWaalsContact O-CD2 3.25Å; I25-Y29 WeakPolarHBondContact O-CD2 3.5Å; I25-Y29 PolarHBondContact O-N 3.41Å; I25-Y29 VanDerWaalsContact O-N 3.09Å; L26-Y29 PolarHBondContact O-N 2.97Å; Y29-L42 HydrophobicContact CD2-CD1 4.3Å; Y29-L42 HydrophobicContact CG-CD1 4.34Å
30Y98.1Very high97.2Very high71 Ų7184.6 Ų84.628%0.27843%0.425SS..  trans-65.5139.7174.1171.4-95.6000110.9P11 F12 L26 P32 I34P11-Y30 HydrophobicContact CB-CD1 4.18Å; P11-Y30 HydrophobicContact CB-CE1 3.43Å; P11-Y30 VanDerWaalsContact CB-CE1 3.43Å; P11-Y30 HydrophobicContact CB-CE2 4.27Å; P11-Y30 VanDerWaalsContact CB-CZ 3.47Å; P11-Y30 WeakPolarHBondContact CB-OH 3.43Å; P11-Y30 HydrophobicContact CG-CE1 4.1Å; F12-Y30 AromaticContact CD1-CD1 3.8Å; F12-Y30 HydrophobicContact CD1-CD1 3.8Å; F12-Y30 HydrophobicContact CD1-CD2 4.11Å; F12-Y30 HydrophobicContact CD1-CE1 4.45Å; F12-Y30 AromaticContact CD1-CG 3.61Å; F12-Y30 HydrophobicContact CD1-CG 3.61Å; F12-Y30 AromaticContact CE1-CD1 3.89Å; F12-Y30 HydrophobicContact CE1-CD1 3.89Å; F12-Y30 AromaticContact CE1-CG 4Å; F12-Y30 HydrophobicContact CE1-CG 4Å; L26-Y30 WeakPolarHBondContact O-CB 3.41Å; L26-Y30 PolarHBondContact O-N 3.21Å; Y30-P32 HydrophobicContact CE1-CG 4.46Å; Y30-I34 HydrophobicContact CD2-CG2 4.48Å; Y30-I34 HydrophobicContact CE2-CG2 4.34Å
31T97.4Very high97.2Very high64 Ų6481 Ų8139%0.39341%0.41SS..  trans-134.4150.9166.462.30000109.7T33 I34T31-T33 PolarHBondContact O-N 2.9Å; T31-T33 VanDerWaalsContact O-N 3.09Å; T31-I34 WeakPolarHBondContact O-CB 3.34Å; T31-I34 WeakPolarHBondContact O-CG2 3.43Å; T31-I34 PolarHBondContact O-N 3.3Å; T31-I34 VanDerWaalsContact O-N 3.15Å; T31-I34 PolarHBondContact OG1-N 3.42Å
32P96.9Very high97.4Very high115 Ų11579.4 Ų79.475%0.74740%0.402SS*.THydrogen-bonded Turntrans-59.6-22.4179.8-26.135.4000114.6Y30Y30-P32 HydrophobicContact CE1-CG 4.46Å
33T96.9Very high97.3Very high131 Ų13182.1 Ų82.180%0.80442%0.416SS*.THydrogen-bonded Turntrans-109.321.5-177.853.60000112.7T31 S35T31-T33 PolarHBondContact O-N 2.9Å; T31-T33 VanDerWaalsContact O-N 3.09Å; T33-S35 PolarHBondContact O-N 2.9Å
34I96.9Very high97.3Very high49 Ų4984.7 Ų84.725%0.25142%0.421SS..  trans-57.7134.7180-165.1168.9000111.4Y30 T31 R38 A39 L42Y30-I34 HydrophobicContact CD2-CG2 4.48Å; Y30-I34 HydrophobicContact CE2-CG2 4.34Å; T31-I34 WeakPolarHBondContact O-CB 3.34Å; T31-I34 WeakPolarHBondContact O-CG2 3.43Å; T31-I34 PolarHBondContact O-N 3.3Å; T31-I34 VanDerWaalsContact O-N 3.15Å; T31-I34 PolarHBondContact OG1-N 3.42Å; I34-R38 HydrophobicContact CD1-CB 4.14Å; I34-R38 HydrophobicContact CG1-CB 3.6Å; I34-A39 HydrophobicContact CD1-CB 4.25Å; I34-A39 HydrophobicContact CG1-CB 4.42Å; I34-L42 HydrophobicContact CD1-CD2 4.06Å
35S97.1Very high97.3Very high50 Ų5085.2 Ų85.235%0.3541%0.413SS..  trans-75.8163.3175.188.70000111.3T33 E37 R38 A39T33-S35 PolarHBondContact O-N 2.9Å; S35-E37 VanDerWaalsContact C-N 3.29Å; S35-E37 WeakPolarHBondContact CB-OE2 3.42Å; S35-E37 PolarHBondContact O-N 3.14Å; S35-E37 PolarHBondContact OG-N 3.48Å; S35-E37 PolarHBondContact OG-OE2 3.38Å; S35-R38 PolarHBondContact O-N 2.8Å; S35-R38 PolarHBondContact OG-N 3.27Å; S35-A39 WeakPolarHBondContact O-CB 3.36Å; S35-A39 PolarHBondContact O-N 2.91Å
36R94.7Very high97.2Very high97 Ų9784.6 Ų84.637%0.36641%0.41SS..Hα-helixtrans-56.1-45.5176.9-174.8-179.9169152-6111.6A39 V40 I65 D67R36-A39 PolarHBondContact O-N 3.07Å; R36-V40 WeakPolarHBondContact O-CG2 3.31Å; R36-V40 PolarHBondContact O-N 3.38Å; R36-V40 VanDerWaalsContact O-N 3.13Å; R36-I65 HydrophobicContact CG-CD1 3.65Å; R36-I65 VanDerWaalsContact NE-CD1 3.3Å; R36-D67 IonicContact NH1-OD2 3.63Å
37E95.6Very high97.1Very high121 Ų12184 Ų8457%0.56541%0.407SS*.Hα-helixtrans-64.5-46.4-178.5-55.968-142.200110.1S35 A39 V40 E41S35-E37 VanDerWaalsContact C-N 3.29Å; S35-E37 WeakPolarHBondContact CB-OE2 3.42Å; S35-E37 PolarHBondContact O-N 3.14Å; S35-E37 PolarHBondContact OG-N 3.48Å; S35-E37 PolarHBondContact OG-OE2 3.38Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 3.12Å; E37-V40 PolarHBondContact O-N 3.35Å; E37-E41 WeakPolarHBondContact O-CG 3.38Å; E37-E41 PolarHBondContact O-N 2.92Å
38R97.4Very high97Very high153 Ų15381.6 Ų81.658%0.57739%0.392SS*.Hα-helixtrans-65.4-34.7177.7-72-58.2-133.8178.82.2112.9I34 S35 E41 L42I34-R38 HydrophobicContact CD1-CB 4.14Å; I34-R38 HydrophobicContact CG1-CB 3.6Å; S35-R38 PolarHBondContact O-N 2.8Å; S35-R38 PolarHBondContact OG-N 3.27Å; R38-E41 WeakPolarHBondContact CD-OE2 3.32Å; R38-E41 IonicContact CZ-OE2 3.38Å; R38-E41 IonicContact NE-OE2 2.91Å; R38-E41 IonicContact NH1-OE2 3.54Å; R38-E41 PolarHBondContact NH1-OE2 3.14Å; R38-E41 PolarHBondContact O-N 2.96Å; R38-L42 WeakPolarHBondContact O-CB 3.35Å; R38-L42 PolarHBondContact O-N 3.38Å
39A97Very high96.9Very high41 Ų4174.5 Ų74.534%0.33937%0.367SS..Hα-helixtrans-64.9-40.1174.800000111.6I34 S35 R36 E37 L42 L43I34-A39 HydrophobicContact CD1-CB 4.25Å; I34-A39 HydrophobicContact CG1-CB 4.42Å; S35-A39 WeakPolarHBondContact O-CB 3.36Å; S35-A39 PolarHBondContact O-N 2.91Å; R36-A39 PolarHBondContact O-N 3.07Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 3.12Å; A39-L42 PolarHBondContact O-N 3.49Å; A39-L43 PolarHBondContact O-N 2.93Å
40V96.6Very high96.7Very high42 Ų4269.9 Ų69.926%0.25535%0.35SS..Hα-helixtrans-67.2-41.21751760000111.2R36 E37 L42 L43 R44 I65 L74R36-V40 WeakPolarHBondContact O-CG2 3.31Å; R36-V40 PolarHBondContact O-N 3.38Å; R36-V40 VanDerWaalsContact O-N 3.13Å; E37-V40 PolarHBondContact O-N 3.35Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.43Å; V40-L43 PolarHBondContact O-N 2.88Å; V40-R44 PolarHBondContact O-N 3.22Å; V40-I65 HydrophobicContact CG2-CD1 3.84Å; V40-L74 HydrophobicContact CG2-CD1 3.87Å
41E97.3Very high96.4Very high89 Ų8968 Ų6842%0.41634%0.344SS..Hα-helixtrans-60.8-42.1173.3-71.8177176.700112.3E37 R38 R44 K45E37-E41 WeakPolarHBondContact O-CG 3.38Å; E37-E41 PolarHBondContact O-N 2.92Å; R38-E41 WeakPolarHBondContact CD-OE2 3.32Å; R38-E41 IonicContact CZ-OE2 3.38Å; R38-E41 IonicContact NE-OE2 2.91Å; R38-E41 IonicContact NH1-OE2 3.54Å; R38-E41 PolarHBondContact NH1-OE2 3.14Å; R38-E41 PolarHBondContact O-N 2.96Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 3.1Å; E41-K45 WeakPolarHBondContact O-CG 3.04Å; E41-K45 PolarHBondContact O-N 3.34Å
42L98.2Very high96.1Very high12 Ų1271.9 Ų71.96%0.06336%0.356CS..Hα-helixtrans-62.5-46.5175.7176.352.6000111.3I25 L26 Y29 I34 R38 A39 V40 R44 K45 C46I25-L42 HydrophobicContact CG2-CD1 3.78Å; L26-L42 HydrophobicContact CD2-CD2 4.07Å; L26-L42 HydrophobicContact CD2-CG 4.06Å; Y29-L42 HydrophobicContact CD2-CD1 4.3Å; Y29-L42 HydrophobicContact CG-CD1 4.34Å; I34-L42 HydrophobicContact CD1-CD2 4.06Å; R38-L42 WeakPolarHBondContact O-CB 3.35Å; R38-L42 PolarHBondContact O-N 3.38Å; A39-L42 PolarHBondContact O-N 3.49Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.43Å; L42-R44 VanDerWaalsContact C-N 3.27Å; L42-R44 PolarHBondContact O-N 3.04Å; L42-K45 WeakPolarHBondContact O-CB 3.37Å; L42-K45 PolarHBondContact O-N 3.45Å; L42-K45 VanDerWaalsContact O-N 3.14Å; L42-C46 PolarHBondContact O-N 2.88Å; L42-C46 VanDerWaalsContact O-N 3.14Å
43L97.6Very high95.9Very high65 Ų6574.6 Ų74.634%0.3435%0.351SS..Hα-helixtrans-56.4-43.7173.9176.563.4000111.1A39 V40 K45 C46 L47 V63A39-L43 PolarHBondContact O-N 2.93Å; V40-L43 PolarHBondContact O-N 2.88Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.11Å; L43-C46 WeakPolarHBondContact O-CB 3.44Å; L43-C46 PolarHBondContact O-N 3.18Å; L43-C46 VanDerWaalsContact O-N 3.1Å; L43-L47 HydrophobicContact CD1-CG 4.44Å; L43-L47 HydrophobicContact CG-CD1 4.41Å; L43-L47 HydrophobicContact CG-CG 4.49Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.47Å; L43-V63 HydrophobicContact CD2-CB 4.38Å; L43-V63 HydrophobicContact CD2-CG1 3.6Å; L43-V63 HydrophobicContact CD2-CG2 3.84Å
44R96.8Very high95.7Very high122 Ų12270.6 Ų70.646%0.4632%0.322SS..Hα-helixtrans-60-40.3178-168179.6177.7107.60.4112.1V40 E41 L42 C46 L47 E48V40-R44 PolarHBondContact O-N 3.22Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 3.1Å; L42-R44 VanDerWaalsContact C-N 3.27Å; L42-R44 PolarHBondContact O-N 3.04Å; R44-C46 VanDerWaalsContact C-N 3.33Å; R44-C46 PolarHBondContact O-N 3.23Å; R44-L47 PolarHBondContact O-N 3.08Å; R44-E48 IonicContact NE-OE1 3.45Å; R44-E48 PolarHBondContact NE-OE1 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.14Å
45K97.4Very high95.4Very high94 Ų9475.8 Ų75.841%0.40935%0.349SS..Hα-helixtrans-60.3-42173.6-68.7176.5-175.3-61.60112.1I25 E41 L42 L43 E48 E49I25-K45 HydrophobicContact CG2-CB 4.06Å; E41-K45 WeakPolarHBondContact O-CG 3.04Å; E41-K45 PolarHBondContact O-N 3.34Å; L42-K45 WeakPolarHBondContact O-CB 3.37Å; L42-K45 PolarHBondContact O-N 3.45Å; L42-K45 VanDerWaalsContact O-N 3.14Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.11Å; K45-E48 PolarHBondContact O-N 2.78Å; K45-E49 PolarHBondContact O-N 3.4Å; K45-E49 VanDerWaalsContact O-N 3.11Å
46C97.8Very high94.9Very high8 Ų878.9 Ų78.95%0.05436%0.361CS..Hα-helixtrans-61.2-46174.8-65.60000111.4T22 L42 L43 R44 E48 E49 L50T22-C46 HydrophobicContact CG2-CB 3.63Å; L42-C46 PolarHBondContact O-N 2.88Å; L42-C46 VanDerWaalsContact O-N 3.14Å; L43-C46 WeakPolarHBondContact O-CB 3.44Å; L43-C46 PolarHBondContact O-N 3.18Å; L43-C46 VanDerWaalsContact O-N 3.1Å; R44-C46 VanDerWaalsContact C-N 3.33Å; R44-C46 PolarHBondContact O-N 3.23Å; C46-E48 PolarHBondContact O-N 2.88Å; C46-E49 PolarHBondContact O-N 3.21Å; C46-L50 WeakPolarHBondContact O-CG 3.25Å; C46-L50 PolarHBondContact O-N 3.4Å
47L96.1Very high94.3Very high11 Ų1176.9 Ų76.96%0.05836%0.358CS..Hα-helixtrans-64.1-39.5178.5-63.1-178.6000112.2L43 R44 E49 L50 Q51 F61 I77 F79L43-L47 HydrophobicContact CD1-CG 4.44Å; L43-L47 HydrophobicContact CG-CD1 4.41Å; L43-L47 HydrophobicContact CG-CG 4.49Å; L43-L47 WeakPolarHBondContact O-CG 3.39Å; L43-L47 PolarHBondContact O-N 3.47Å; R44-L47 PolarHBondContact O-N 3.08Å; L47-E49 PolarHBondContact O-N 3.31Å; L47-L50 HydrophobicContact CD2-CD1 4.23Å; L47-L50 WeakPolarHBondContact O-CB 3.37Å; L47-L50 PolarHBondContact O-N 3.03Å; L47-Q51 WeakPolarHBondContact O-CG 3.28Å; L47-Q51 PolarHBondContact O-N 3.39Å; L47-F61 HydrophobicContact CD1-CB 4Å; L47-F61 HydrophobicContact CD1-CD2 4.06Å; L47-F61 HydrophobicContact CD1-CG 3.99Å; L47-F61 HydrophobicContact CD2-CB 4.42Å; L47-F61 HydrophobicContact CD2-CD1 3.6Å; L47-F61 HydrophobicContact CD2-CD2 4.04Å; L47-F61 HydrophobicContact CD2-CE1 3.74Å; L47-F61 HydrophobicContact CD2-CE2 4.17Å; L47-F61 HydrophobicContact CD2-CG 3.75Å; L47-F61 HydrophobicContact CD2-CZ 4.01Å; L47-F61 HydrophobicContact CG-CG 4.49Å; L47-I77 HydrophobicContact CD1-CB 4.01Å; L47-I77 HydrophobicContact CD1-CD1 3.74Å; L47-I77 HydrophobicContact CD1-CG1 4.44Å; L47-I77 HydrophobicContact CD1-CG2 3.94Å; L47-F79 HydrophobicContact CB-CE2 3.71Å; L47-F79 HydrophobicContact CB-CZ 3.61Å; L47-F79 HydrophobicContact CD1-CE2 4.24Å
48E94.9Very high94Very high69 Ų6975 Ų7532%0.32235%0.351SS..Hα-helixtrans-61.6-39.7175.1-75169.6-175.600112.5R44 K45 C46 Q51 K52 F79R44-E48 IonicContact NE-OE1 3.45Å; R44-E48 PolarHBondContact NE-OE1 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.14Å; K45-E48 PolarHBondContact O-N 2.78Å; C46-E48 PolarHBondContact O-N 2.88Å; E48-Q51 PolarHBondContact O-N 3.11Å; E48-K52 WeakPolarHBondContact O-CG 3.36Å; E48-K52 PolarHBondContact O-N 3.05Å; E48-F79 HydrophobicContact CG-CE1 3.95Å; E48-F79 HydrophobicContact CG-CZ 4.34Å
49E95.2Very high93.6Very high40 Ų4070 Ų7019%0.18734%0.339CS..Hα-helixtrans-69.5-33.9174.1-73.1-56.2112.800112.4I25 K45 C46 L47 K52 R53I25-E49 HydrophobicContact CD1-CB 3.79Å; I25-E49 HydrophobicContact CD1-CG 3.47Å; I25-E49 VanDerWaalsContact CD1-CG 3.47Å; K45-E49 PolarHBondContact O-N 3.4Å; K45-E49 VanDerWaalsContact O-N 3.11Å; C46-E49 PolarHBondContact O-N 3.21Å; L47-E49 PolarHBondContact O-N 3.31Å; E49-K52 PolarHBondContact O-N 3.3Å; E49-K52 IonicContact OE1-NZ 3.23Å; E49-K52 PolarHBondContact OE1-NZ 3.25Å; E49-R53 PolarHBondContact O-N 2.81Å; E49-R53 VanDerWaalsContact O-N 3.08Å; E49-R53 IonicContact OE2-CZ 3.12Å; E49-R53 IonicContact OE2-NE 4Å; E49-R53 PolarHBondContact OE2-NE 2.98Å; E49-R53 IonicContact OE2-NH2 3.83Å; E49-R53 PolarHBondContact OE2-NH2 2.79Å
50L94.5Very high93.4Very high23 Ų2371.2 Ų71.212%0.1234%0.342CS..Hα-helixtrans-62.9-46.2170.7-66.8177.1000111.3L21 T22 C46 L47 K52 R53 F54L21-L50 HydrophobicContact CB-CD2 4.05Å; L21-L50 HydrophobicContact CD1-CD2 3.88Å; T22-L50 HydrophobicContact CG2-CD1 4.17Å; T22-L50 HydrophobicContact CG2-CD2 3.92Å; T22-L50 HydrophobicContact CG2-CG 3.82Å; C46-L50 WeakPolarHBondContact O-CG 3.25Å; C46-L50 PolarHBondContact O-N 3.4Å; L47-L50 HydrophobicContact CD2-CD1 4.23Å; L47-L50 WeakPolarHBondContact O-CB 3.37Å; L47-L50 PolarHBondContact O-N 3.03Å; L50-K52 PolarHBondContact O-N 3.2Å; L50-R53 PolarHBondContact O-N 2.74Å; L50-F54 HydrophobicContact CB-CB 4.22Å; L50-F54 HydrophobicContact CD2-CB 4.11Å; L50-F54 HydrophobicContact CD2-CG 4.34Å; L50-F54 WeakPolarHBondContact O-CA 3.01Å; L50-F54 WeakPolarHBondContact O-CB 3.43Å; L50-F54 PolarHBondContact O-N 3.16Å
51Q92.4Very high93.3Very high32 Ų3271.1 Ų71.115%0.1534%0.338CS..Hα-helixtrans-58-35.2178.2-68.8-61.3-7300113L47 E48 N57 L58 F79L47-Q51 WeakPolarHBondContact O-CG 3.28Å; L47-Q51 PolarHBondContact O-N 3.39Å; E48-Q51 PolarHBondContact O-N 3.11Å; Q51-N57 PolarHBondContact O-OD1 3.45Å; Q51-N57 PolarHBondContact OE1-OD1 3.22Å; Q51-L58 PolarHBondContact NE2-O 3.32Å; Q51-F79 VanDerWaalsContact CD-CG 3.48Å; Q51-F79 HydrophobicContact CG-CB 4.01Å; Q51-F79 HydrophobicContact CG-CD1 3.57Å; Q51-F79 HydrophobicContact CG-CD2 3.65Å; Q51-F79 HydrophobicContact CG-CE1 3.85Å; Q51-F79 HydrophobicContact CG-CE2 3.94Å; Q51-F79 HydrophobicContact CG-CG 3.45Å; Q51-F79 VanDerWaalsContact CG-CG 3.45Å; Q51-F79 HydrophobicContact CG-CZ 4.03Å
52K91.7Very high93.3Very high146 Ų14671.8 Ų71.864%0.63535%0.352SS*.Hα-helixtrans-77.8-38.1-179-68.3172.2-162.4164.10113.3E48 E49 L50E48-K52 WeakPolarHBondContact O-CG 3.36Å; E48-K52 PolarHBondContact O-N 3.05Å; E49-K52 PolarHBondContact O-N 3.3Å; E49-K52 IonicContact OE1-NZ 3.23Å; E49-K52 PolarHBondContact OE1-NZ 3.25Å; L50-K52 PolarHBondContact O-N 3.2Å
53R91.8Very high93.2Very high171 Ų17171.8 Ų71.865%0.64535%0.353SS*.Hα-helixtrans-120.3-13.6-163.8-58.7177.7-169.5-122.51.7114.1L21 E49 L50L21-R53 HydrophobicContact CD1-CB 3.87Å; L21-R53 HydrophobicContact CD2-CB 4Å; E49-R53 PolarHBondContact O-N 2.81Å; E49-R53 VanDerWaalsContact O-N 3.08Å; E49-R53 IonicContact OE2-CZ 3.12Å; E49-R53 IonicContact OE2-NE 4Å; E49-R53 PolarHBondContact OE2-NE 2.98Å; E49-R53 IonicContact OE2-NH2 3.83Å; E49-R53 PolarHBondContact OE2-NH2 2.79Å; L50-R53 PolarHBondContact O-N 2.74Å
54F92.9Very high93.2Very high47 Ų4775.4 Ų75.421%0.20636%0.362CS..  trans-95.8123.3-177.3-166.8-123.3000111.3L21 L50 L56 N57L21-F54 HydrophobicContact CD1-CB 3.96Å; L21-F54 HydrophobicContact CD1-CD2 4.31Å; L50-F54 HydrophobicContact CB-CB 4.22Å; L50-F54 HydrophobicContact CD2-CB 4.11Å; L50-F54 HydrophobicContact CD2-CG 4.34Å; L50-F54 WeakPolarHBondContact O-CA 3.01Å; L50-F54 WeakPolarHBondContact O-CB 3.43Å; L50-F54 PolarHBondContact O-N 3.16Å; F54-L56 VanDerWaalsContact C-N 3.27Å; F54-L56 HydrophobicContact CD1-CB 3.98Å; F54-L56 HydrophobicContact CD1-CG 4.5Å; F54-L56 HydrophobicContact CE1-CB 3.64Å; F54-L56 HydrophobicContact CE1-CD1 3.72Å; F54-L56 HydrophobicContact CE1-CG 3.8Å; F54-L56 HydrophobicContact CZ-CB 4.38Å; F54-L56 HydrophobicContact CZ-CD1 3.85Å; F54-L56 HydrophobicContact CZ-CG 4.04Å; F54-L56 PolarHBondContact O-N 3.12Å; F54-L56 VanDerWaalsContact O-N 3.16Å; F54-N57 PolarHBondContact O-N 3.22Å; F54-N57 VanDerWaalsContact O-N 3.11Å
55I89.8Confident93.2Very high158 Ų15871.1 Ų71.181%0.8135%0.348SS*.THydrogen-bonded Turntrans-59.1-31.8-171.5-167.3168000114.5N57I55-N57 VanDerWaalsContact C-N 3.29Å; I55-N57 PolarHBondContact O-N 3.41Å
56L87.3Confident93.2Very high116 Ų11672.8 Ų72.861%0.60736%0.36SS*.THydrogen-bonded Turntrans-75.1-18.7-177.6-61.9-177.8000113.4F54 L58F54-L56 VanDerWaalsContact C-N 3.27Å; F54-L56 HydrophobicContact CD1-CB 3.98Å; F54-L56 HydrophobicContact CD1-CG 4.5Å; F54-L56 HydrophobicContact CE1-CB 3.64Å; F54-L56 HydrophobicContact CE1-CD1 3.72Å; F54-L56 HydrophobicContact CE1-CG 3.8Å; F54-L56 HydrophobicContact CZ-CB 4.38Å; F54-L56 HydrophobicContact CZ-CD1 3.85Å; F54-L56 HydrophobicContact CZ-CG 4.04Å; F54-L56 PolarHBondContact O-N 3.12Å; F54-L56 VanDerWaalsContact O-N 3.16Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L56-L58 HydrophobicContact CB-CG 4.5Å; L56-L58 PolarHBondContact O-N 3.16Å; L56-L58 VanDerWaalsContact O-N 3.13Å
57N82.8Confident93Very high54 Ų5475.1 Ų75.129%0.28937%0.372SS..  trans36.557.7176.2-162.325.9000114.6Q51 F54 I55Q51-N57 PolarHBondContact O-OD1 3.45Å; Q51-N57 PolarHBondContact OE1-OD1 3.22Å; F54-N57 PolarHBondContact O-N 3.22Å; F54-N57 VanDerWaalsContact O-N 3.11Å; I55-N57 VanDerWaalsContact C-N 3.29Å; I55-N57 PolarHBondContact O-N 3.41Å
58L88.3Confident93.1Very high83 Ų8384 Ų8444%0.43541%0.41SS..  trans-62.4133.9-174.1-65.4171.1000110.9Q51 L56 F61Q51-L58 PolarHBondContact NE2-O 3.32Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L56-L58 HydrophobicContact CB-CG 4.5Å; L56-L58 PolarHBondContact O-N 3.16Å; L56-L58 VanDerWaalsContact O-N 3.13Å; L58-F61 HydrophobicContact CB-CE1 4.2Å; L58-F61 HydrophobicContact CB-CE2 4.26Å; L58-F61 HydrophobicContact CB-CZ 3.74Å; L58-F61 HydrophobicContact CD1-CE1 4.13Å; L58-F61 HydrophobicContact CD1-CZ 4.42Å; L58-F61 VanDerWaalsContact O-CE2 3.31Å; L58-F61 WeakPolarHBondContact O-CE2 3.37Å
59P88.6Confident93.2Very high48 Ų4886.4 Ų86.431%0.31243%0.425SS..SBendtrans-79.2-24.2-170.630.4-36.1000113.9S78 F79 K81P59-S78 CarbonylContact O-C 3.58Å; P59-S78 VanDerWaalsContact O-CA 3.32Å; P59-S78 WeakPolarHBondContact O-CA 3.48Å; P59-F79 PolarHBondContact O-N 3.26Å; P59-K81 HydrophobicContact CB-CG 4.25Å
60T93.7Very high93.3Very high66 Ų6686 Ų8641%0.40543%0.432SS..EExtended strand (participates in β ladder)trans-146.4137.9-169.4-53.70000110.4N76 I77T60-N76 HydrophobicContact CG2-CB 3.52Å; T60-I77 CarbonylContact C-O 3.54Å; T60-I77 WeakPolarHBondContact CA-O 3.36Å
61F95.2Very high93.4Very high39 Ų3989.9 Ų89.917%0.17145%0.451CS..EExtended strand (participates in β ladder)trans-127.3129.6179.6-62.1-93.9000110.3L47 L58 N76 I77 F79L47-F61 HydrophobicContact CD1-CB 4Å; L47-F61 HydrophobicContact CD1-CD2 4.06Å; L47-F61 HydrophobicContact CD1-CG 3.99Å; L47-F61 HydrophobicContact CD2-CB 4.42Å; L47-F61 HydrophobicContact CD2-CD1 3.6Å; L47-F61 HydrophobicContact CD2-CD2 4.04Å; L47-F61 HydrophobicContact CD2-CE1 3.74Å; L47-F61 HydrophobicContact CD2-CE2 4.17Å; L47-F61 HydrophobicContact CD2-CG 3.75Å; L47-F61 HydrophobicContact CD2-CZ 4.01Å; L47-F61 HydrophobicContact CG-CG 4.49Å; L58-F61 HydrophobicContact CB-CE1 4.2Å; L58-F61 HydrophobicContact CB-CE2 4.26Å; L58-F61 HydrophobicContact CB-CZ 3.74Å; L58-F61 HydrophobicContact CD1-CE1 4.13Å; L58-F61 HydrophobicContact CD1-CZ 4.42Å; L58-F61 VanDerWaalsContact O-CE2 3.31Å; L58-F61 WeakPolarHBondContact O-CE2 3.37Å; F61-N76 CarbonylContact O-C 3.5Å; F61-N76 VanDerWaalsContact O-CA 3.29Å; F61-N76 WeakPolarHBondContact O-CA 3.12Å; F61-I77 PolarHBondContact N-O 2.86Å; F61-I77 PolarHBondContact O-N 2.97Å; F61-F79 HydrophobicContact CD2-CD2 4.06Å; F61-F79 AromaticContact CD2-CE2 3.89Å; F61-F79 HydrophobicContact CD2-CE2 3.89Å; F61-F79 AromaticContact CE2-CD2 3.89Å; F61-F79 HydrophobicContact CE2-CD2 3.89Å; F61-F79 AromaticContact CE2-CE2 3.88Å; F61-F79 HydrophobicContact CE2-CE2 3.88Å
62S96.4Very high93.6Very high103 Ų10390.8 Ų90.872%0.7246%0.455SS*.EExtended strand (participates in β ladder)trans-83.6135.9171.6-60.90000110.5N76S62-N76 VanDerWaalsContact CA-OD1 3.26Å; S62-N76 WeakPolarHBondContact CA-OD1 3.23Å; S62-N76 WeakPolarHBondContact CB-OD1 3.39Å; S62-N76 PolarHBondContact OG-OD1 2.97Å
63V96.8Very high93.9Very high13 Ų1389 Ų898%0.07945%0.453CS..EExtended strand (participates in β ladder)trans-126134.5-175.1-176.70000109.6L43 L74 I77L43-V63 HydrophobicContact CD2-CB 4.38Å; L43-V63 HydrophobicContact CD2-CG1 3.6Å; L43-V63 HydrophobicContact CD2-CG2 3.84Å; V63-L74 HydrophobicContact CB-CB 4.27Å; V63-L74 HydrophobicContact CG1-CB 4.48Å; V63-L74 HydrophobicContact CG1-CD1 3.96Å; V63-L74 HydrophobicContact CG1-CG 4.49Å; V63-L74 PolarHBondContact O-N 3.06Å; V63-I77 HydrophobicContact CG2-CD1 3.75Å; V63-I77 HydrophobicContact CG2-CG1 3.92Å
64R97.2Very high94Very high141 Ų14183.5 Ų83.553%0.53244%0.436SS..EExtended strand (participates in β ladder)trans-135.6138.2-178.9178176-74.3-177.3-0.5110.2I66 I71 H72 D73R64-I66 HydrophobicContact CG-CG1 4.29Å; R64-I71 HydrophobicContact CG-CG2 3.57Å; R64-H72 WeakPolarHBondContact CA-O 3.25Å; R64-D73 IonicContact CZ-OD1 3.79Å; R64-D73 IonicContact NE-OD1 2.8Å; R64-D73 PolarHBondContact NE-OD1 3.36Å; R64-D73 IonicContact NH2-OD1 2.71Å; R64-D73 PolarHBondContact NH2-OD1 3.1Å; R64-D73 IonicContact NH2-OD2 3.64Å; R64-D73 PolarHBondContact NH2-OD2 3.42Å
65I96.4Very high94.1Very high31 Ų3188.6 Ų88.616%0.15947%0.465CS..EExtended strand (participates in β ladder)trans-113.1137.8174-64.6174.4000108.3R36 V40 H72 L74R36-I65 HydrophobicContact CG-CD1 3.65Å; R36-I65 VanDerWaalsContact NE-CD1 3.3Å; V40-I65 HydrophobicContact CG2-CD1 3.84Å; I65-H72 HydrophobicContact CB-CB 4.35Å; I65-H72 PolarHBondContact N-O 2.86Å; I65-H72 PolarHBondContact O-N 3.09Å; I65-L74 HydrophobicContact CD1-CD1 3.69Å; I65-L74 HydrophobicContact CD1-CD2 4.43Å; I65-L74 HydrophobicContact CD1-CG 4.23Å; I65-L74 HydrophobicContact CG1-CD1 4.25Å
66I96.6Very high94.3Very high129 Ų12985.1 Ų85.166%0.66245%0.449SS*.EExtended strand (participates in β ladder)trans-122.7122.3179.3-54.1174.4000107.2R64 I71R64-I66 HydrophobicContact CG-CG1 4.29Å; I66-I71 HydrophobicContact CG1-CG1 4.45Å
67D95.3Very high94.7Very high58 Ų5880.5 Ų80.531%0.3142%0.424SS..EExtended strand (participates in β ladder)trans-139.7-174.4177.56927.5000111.4R36 N69 G70 H72R36-D67 IonicContact NH1-OD2 3.63Å; D67-N69 PolarHBondContact O-N 3.45Å; D67-N69 VanDerWaalsContact O-N 3.14Å; D67-N69 WeakPolarHBondContact OD1-CA 3.31Å; D67-N69 VanDerWaalsContact OD1-CB 3.31Å; D67-N69 WeakPolarHBondContact OD1-CB 3.4Å; D67-N69 PolarHBondContact OD1-N 3.15Å; D67-G70 PolarHBondContact N-O 3.37Å; D67-G70 PolarHBondContact O-N 3.09Å; D67-G70 PolarHBondContact OD1-N 2.88Å; D67-H72 IonicContact OD1-CD2 2.72Å; D67-H72 IonicContact OD1-CE1 3.2Å; D67-H72 IonicContact OD1-NE2 2.82Å; D67-H72 PolarHBondContact OD1-NE2 3.32Å; D67-H72 IonicContact OD2-CD2 3.73Å; D67-H72 IonicContact OD2-CE1 3.91Å; D67-H72 IonicContact OD2-NE2 2.88Å; D67-H72 PolarHBondContact OD2-NE2 3.25Å; D67-H72 VanDerWaalsContact OD2-NE2 3.12Å
68K97.1Very high95.1Very high196 Ų19681.5 Ų81.585%0.85244%0.435SS*.THydrogen-bonded Turntrans-60.1-21.5-179.669177.3-175.6177.60114.2
69N96.9Very high95.2Very high121 Ų12178.9 Ų78.965%0.64742%0.42SS*.THydrogen-bonded Turntrans-93.4-0.6-179.8-51.3-49.9000111.9D67D67-N69 PolarHBondContact O-N 3.45Å; D67-N69 VanDerWaalsContact O-N 3.14Å; D67-N69 WeakPolarHBondContact OD1-CA 3.31Å; D67-N69 VanDerWaalsContact OD1-CB 3.31Å; D67-N69 WeakPolarHBondContact OD1-CB 3.4Å; D67-N69 PolarHBondContact OD1-N 3.15Å
70G96.9Very high94.9Very high31 Ų3182 Ų8232%0.3244%0.441SS..EExtended strand (participates in β ladder)trans118.9-147.6174.800000113.5D67D67-G70 PolarHBondContact N-O 3.37Å; D67-G70 PolarHBondContact O-N 3.09Å; D67-G70 PolarHBondContact OD1-N 2.88Å
71I98Very high93.6Very high104 Ų10486.9 Ų86.953%0.53346%0.457SS..EExtended strand (participates in β ladder)trans-106.1129.9-174.3-60.8175.5000109R64 I66R64-I71 HydrophobicContact CG-CG2 3.57Å; I66-I71 HydrophobicContact CG1-CG1 4.45Å
72H96.5Very high92.1Very high51 Ų5193.4 Ų93.424%0.23649%0.487CS..EExtended strand (participates in β ladder)trans-122.1104.3-179.2-48.9-94.1000109.1R64 I65 D67R64-H72 WeakPolarHBondContact CA-O 3.25Å; I65-H72 HydrophobicContact CB-CB 4.35Å; I65-H72 PolarHBondContact N-O 2.86Å; I65-H72 PolarHBondContact O-N 3.09Å; D67-H72 IonicContact OD1-CD2 2.72Å; D67-H72 IonicContact OD1-CE1 3.2Å; D67-H72 IonicContact OD1-NE2 2.82Å; D67-H72 PolarHBondContact OD1-NE2 3.32Å; D67-H72 IonicContact OD2-CD2 3.73Å; D67-H72 IonicContact OD2-CE1 3.91Å; D67-H72 IonicContact OD2-NE2 2.88Å; D67-H72 PolarHBondContact OD2-NE2 3.25Å; D67-H72 VanDerWaalsContact OD2-NE2 3.12Å
73D97.3Very high90.3Very high109 Ų10991.8 Ų91.858%0.58349%0.487SS*.EExtended strand (participates in β ladder)trans-73.5129.9169-70-48.8000109.1R64R64-D73 IonicContact CZ-OD1 3.79Å; R64-D73 IonicContact NE-OD1 2.8Å; R64-D73 PolarHBondContact NE-OD1 3.36Å; R64-D73 IonicContact NH2-OD1 2.71Å; R64-D73 PolarHBondContact NH2-OD1 3.1Å; R64-D73 IonicContact NH2-OD2 3.64Å; R64-D73 PolarHBondContact NH2-OD2 3.42Å
74L94.8Very high87.8Confident55 Ų55100.5 Ų100.529%0.28855%0.549SS..EExtended strand (participates in β ladder)trans-98.9163.6172.8-61.3-172.6000110V40 V63 I65 N76V40-L74 HydrophobicContact CG2-CD1 3.87Å; V63-L74 HydrophobicContact CB-CB 4.27Å; V63-L74 HydrophobicContact CG1-CB 4.48Å; V63-L74 HydrophobicContact CG1-CD1 3.96Å; V63-L74 HydrophobicContact CG1-CG 4.49Å; V63-L74 PolarHBondContact O-N 3.06Å; I65-L74 HydrophobicContact CD1-CD1 3.69Å; I65-L74 HydrophobicContact CD1-CD2 4.43Å; I65-L74 HydrophobicContact CD1-CG 4.23Å; I65-L74 HydrophobicContact CG1-CD1 4.25Å; L74-N76 PolarHBondContact O-N 3.29Å
75D94.6Very high87.4Confident154 Ų15498.5 Ų98.582%0.82455%0.55SS*.EExtended strand (participates in β ladder)trans-54.7141.2168.3-66.9-35.2000110.8I77D75-I77 PolarHBondContact O-N 3.44Å
76N94.6Very high86.9Confident86 Ų86102.1 Ų102.146%0.4657%0.57SS.*EExtended strand (participates in β ladder)trans-61.9133.6178-69.3-33.2000110.6T60 F61 S62 L74 S78T60-N76 HydrophobicContact CG2-CB 3.52Å; F61-N76 CarbonylContact O-C 3.5Å; F61-N76 VanDerWaalsContact O-CA 3.29Å; F61-N76 WeakPolarHBondContact O-CA 3.12Å; S62-N76 VanDerWaalsContact CA-OD1 3.26Å; S62-N76 WeakPolarHBondContact CA-OD1 3.23Å; S62-N76 WeakPolarHBondContact CB-OD1 3.39Å; S62-N76 PolarHBondContact OG-OD1 2.97Å; L74-N76 PolarHBondContact O-N 3.29Å; N76-S78 PolarHBondContact O-N 3.28Å
77I94.1Very high86.4Confident19 Ų19100.6 Ų100.610%0.09757%0.565CS.*EExtended strand (participates in β ladder)trans-80114.2171.4-59.2178.5000107.5L47 T60 F61 V63 D75 F79L47-I77 HydrophobicContact CD1-CB 4.01Å; L47-I77 HydrophobicContact CD1-CD1 3.74Å; L47-I77 HydrophobicContact CD1-CG1 4.44Å; L47-I77 HydrophobicContact CD1-CG2 3.94Å; T60-I77 CarbonylContact C-O 3.54Å; T60-I77 WeakPolarHBondContact CA-O 3.36Å; F61-I77 PolarHBondContact N-O 2.86Å; F61-I77 PolarHBondContact O-N 2.97Å; V63-I77 HydrophobicContact CG2-CD1 3.75Å; V63-I77 HydrophobicContact CG2-CG1 3.92Å; D75-I77 PolarHBondContact O-N 3.44Å; I77-F79 HydrophobicContact CG2-CD2 4.47Å; I77-F79 HydrophobicContact CG2-CE2 3.7Å; I77-F79 HydrophobicContact CG2-CZ 3.89Å
78S92.7Very high85.8Confident74 Ų74103.1 Ų103.152%0.51758%0.58SS.*EExtended strand (participates in β ladder)trans-109142.9179.5-59.10000111.4P59 N76P59-S78 CarbonylContact O-C 3.58Å; P59-S78 VanDerWaalsContact O-CA 3.32Å; P59-S78 WeakPolarHBondContact O-CA 3.48Å; N76-S78 PolarHBondContact O-N 3.28Å
79F89.5Confident85.1Confident28 Ų2897.3 Ų97.312%0.12356%0.563CS.*  trans-118.1135.5172.3-63.9-85.8000108.7L47 E48 Q51 P59 F61 I77 K81L47-F79 HydrophobicContact CB-CE2 3.71Å; L47-F79 HydrophobicContact CB-CZ 3.61Å; L47-F79 HydrophobicContact CD1-CE2 4.24Å; E48-F79 HydrophobicContact CG-CE1 3.95Å; E48-F79 HydrophobicContact CG-CZ 4.34Å; Q51-F79 VanDerWaalsContact CD-CG 3.48Å; Q51-F79 HydrophobicContact CG-CB 4.01Å; Q51-F79 HydrophobicContact CG-CD1 3.57Å; Q51-F79 HydrophobicContact CG-CD2 3.65Å; Q51-F79 HydrophobicContact CG-CE1 3.85Å; Q51-F79 HydrophobicContact CG-CE2 3.94Å; Q51-F79 HydrophobicContact CG-CG 3.45Å; Q51-F79 VanDerWaalsContact CG-CG 3.45Å; Q51-F79 HydrophobicContact CG-CZ 4.03Å; P59-F79 PolarHBondContact O-N 3.26Å; F61-F79 HydrophobicContact CD2-CD2 4.06Å; F61-F79 AromaticContact CD2-CE2 3.89Å; F61-F79 HydrophobicContact CD2-CE2 3.89Å; F61-F79 AromaticContact CE2-CD2 3.89Å; F61-F79 HydrophobicContact CE2-CD2 3.89Å; F61-F79 AromaticContact CE2-CE2 3.88Å; F61-F79 HydrophobicContact CE2-CE2 3.88Å; I77-F79 HydrophobicContact CG2-CD2 4.47Å; I77-F79 HydrophobicContact CG2-CE2 3.7Å; I77-F79 HydrophobicContact CG2-CZ 3.89Å; F79-K81 PolarHBondContact O-N 2.92Å
80P81.4Confident84.4Confident115 Ų11595.7 Ų95.775%0.74756%0.558SS**  trans-62.1132.1176.625.4-31.2000108.9Q82P80-Q82 PolarHBondContact O-N 3.17Å
81K67.8Low83.5Confident168 Ų168100.3 Ų100.373%0.7358%0.575SS**  trans-58.9116.1171.1-74.4-173.2175.9-177.70108.2P59 F79 G83P59-K81 HydrophobicContact CB-CG 4.25Å; F79-K81 PolarHBondContact O-N 2.92Å; K81-G83 PolarHBondContact O-N 3.22Å
82Q63.3Low82.3Confident175 Ų175100 Ų10082%0.81858%0.578SS**SBendtrans-72.9106.1164.7-79.2-174.638.600107.6P80P80-Q82 PolarHBondContact O-N 3.17Å
83G58.8Low81.2Confident69 Ų69104.1 Ų104.171%0.71161%0.606SS**  trans90.5115.9170.200000114.8K81K81-G83 PolarHBondContact O-N 3.22Å
84S45Very low79.7Confident197 Ų197103.6 Ų103.6100%1.37861%0.608SS**  trans-96.20143.551.20000108.3

Retrieved 84 of 84 residues in 52.6 ms (Link to these results)

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