A0A3Q0KVC2_SCHMA Loading...

Late endosomal/lysosomal adaptor and MAPK and MTOR activator 5

AlphaFold DB , UniProt , Accession A0A3Q0KVC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M71.4Confident92.6Very high218 Ų21898.5 Ų98.5100%1.07450%0.496SS*.  0-52.40-167.6168.4-179.800110.1T3 K4M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.13Å; M1-K4 PolarHBondContact O-N 3.5Å; M1-K4 VanDerWaalsContact O-N 3.11Å
2E86.1Confident93Very high128 Ų12895.8 Ų95.860%0.59849%0.488SS*.Hα-helixtrans-53.7-38.4175.1-164.9179.216900114.4K4 L5 L6E2-K4 PolarHBondContact O-N 3.48Å; E2-K4 VanDerWaalsContact O-N 3.13Å; E2-L5 WeakPolarHBondContact O-CA 3.49Å; E2-L5 WeakPolarHBondContact O-CB 3.44Å; E2-L5 PolarHBondContact O-N 3.11Å; E2-L6 HydrophobicContact CG-CD1 4.03Å; E2-L6 HydrophobicContact CG-CG 4.25Å; E2-L6 WeakPolarHBondContact O-CG 3.27Å; E2-L6 PolarHBondContact O-N 3.28Å
3T91.5Very high93.1Very high120 Ų12090.2 Ų90.274%0.73646%0.463SS*.Hα-helixtrans-54.4-36.4176.7-39.40000113.2M1 G7M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.13Å; T3-G7 PolarHBondContact O-N 2.98Å
4K95.7Very high93.3Very high161 Ų16190.1 Ų90.170%0.747%0.474SS*.Hα-helixtrans-74.1-37.8178.7-169.3177.4-178.7-177.20111.3M1 E2 G7 N8M1-K4 PolarHBondContact O-N 3.5Å; M1-K4 VanDerWaalsContact O-N 3.11Å; E2-K4 PolarHBondContact O-N 3.48Å; E2-K4 VanDerWaalsContact O-N 3.13Å; K4-G7 PolarHBondContact O-N 3.14Å; K4-N8 VanDerWaalsContact O-CG 3.31Å; K4-N8 PolarHBondContact O-N 3.34Å; K4-N8 PolarHBondContact O-ND2 3.47Å
5L95Very high93.5Very high55 Ų5589.5 Ų89.529%0.28847%0.472SS..Hα-helixtrans-63.7-51.9174.8177.559.4000110.5E2 G7 N8 L9 I31 A32E2-L5 WeakPolarHBondContact O-CA 3.49Å; E2-L5 WeakPolarHBondContact O-CB 3.44Å; E2-L5 PolarHBondContact O-N 3.11Å; L5-G7 VanDerWaalsContact C-N 3.28Å; L5-G7 PolarHBondContact O-N 2.65Å; L5-N8 WeakPolarHBondContact O-CA 3.5Å; L5-N8 WeakPolarHBondContact O-CB 3.44Å; L5-N8 PolarHBondContact O-N 2.98Å; L5-L9 HydrophobicContact CD1-CG 4.37Å; L5-L9 HydrophobicContact CG-CD1 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.5Å; L5-I31 HydrophobicContact CD2-CG2 4.02Å; L5-A32 HydrophobicContact CD2-CB 3.75Å; L5-A32 HydrophobicContact CG-CB 4.23Å
6L95.6Very high93.6Very high67 Ų6792.1 Ų92.135%0.35150%0.495SS..Hα-helixtrans-59.1-39.7177.4-66.3173.6000112E2 N8 L9 S10 A32E2-L6 HydrophobicContact CG-CD1 4.03Å; E2-L6 HydrophobicContact CG-CG 4.25Å; E2-L6 WeakPolarHBondContact O-CG 3.27Å; E2-L6 PolarHBondContact O-N 3.28Å; L6-N8 VanDerWaalsContact C-N 3.32Å; L6-N8 PolarHBondContact O-N 3.33Å; L6-L9 PolarHBondContact O-N 2.88Å; L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 3Å; L6-S10 PolarHBondContact O-OG 2.89Å; L6-A32 HydrophobicContact CD2-CB 4.17Å
7G97Very high93.8Very high28 Ų2892.8 Ų92.829%0.28949%0.493SS..Hα-helixtrans-65-31.5173.600000113.9T3 K4 L5 S10 R11T3-G7 PolarHBondContact O-N 2.98Å; K4-G7 PolarHBondContact O-N 3.14Å; L5-G7 VanDerWaalsContact C-N 3.28Å; L5-G7 PolarHBondContact O-N 2.65Å; G7-S10 PolarHBondContact O-OG 3.39Å; G7-R11 WeakPolarHBondContact O-CD 3.49Å; G7-R11 VanDerWaalsContact O-CG 3.24Å; G7-R11 WeakPolarHBondContact O-CG 3.24Å; G7-R11 PolarHBondContact O-N 3.01Å
8N96.5Very high94Very high72 Ų7288.6 Ų88.639%0.38547%0.471SS..Hα-helixtrans-74.9-41.8173-73.3-21000111.5K4 L5 L6 S10 R11 V12K4-N8 VanDerWaalsContact O-CG 3.31Å; K4-N8 PolarHBondContact O-N 3.34Å; K4-N8 PolarHBondContact O-ND2 3.47Å; L5-N8 WeakPolarHBondContact O-CA 3.5Å; L5-N8 WeakPolarHBondContact O-CB 3.44Å; L5-N8 PolarHBondContact O-N 2.98Å; L6-N8 VanDerWaalsContact C-N 3.32Å; L6-N8 PolarHBondContact O-N 3.33Å; N8-S10 VanDerWaalsContact C-N 3.33Å; N8-S10 PolarHBondContact O-N 2.85Å; N8-R11 WeakPolarHBondContact O-CB 3.39Å; N8-R11 PolarHBondContact O-N 2.94Å; N8-V12 WeakPolarHBondContact O-CG2 3.47Å; N8-V12 PolarHBondContact O-N 2.99Å
9L97Very high94.1Very high7 Ų787.5 Ų87.54%0.03747%0.468CS..Hα-helixtrans-60.4-43.4175.9-66-176.9000111.4L5 L6 R11 V12 S13 V21 A32 H34L5-L9 HydrophobicContact CD1-CG 4.37Å; L5-L9 HydrophobicContact CG-CD1 4.45Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.5Å; L6-L9 PolarHBondContact O-N 2.88Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 2.85Å; L9-V12 PolarHBondContact O-N 3.5Å; L9-S13 WeakPolarHBondContact O-CB 3.48Å; L9-S13 PolarHBondContact O-N 2.99Å; L9-S13 PolarHBondContact O-OG 3.12Å; L9-V21 HydrophobicContact CD2-CB 4.2Å; L9-V21 HydrophobicContact CD2-CG1 3.62Å; L9-A32 HydrophobicContact CD1-CB 3.7Å; L9-H34 HydrophobicContact CB-CB 3.9Å
10S96.2Very high94.2Very high44 Ų4483.2 Ų83.231%0.30845%0.445SS..Hα-helixtrans-61.3-41.2177.472.20000111.7L6 G7 N8 V12 S13 S14L6-S10 WeakPolarHBondContact O-CB 3.48Å; L6-S10 PolarHBondContact O-N 3Å; L6-S10 PolarHBondContact O-OG 2.89Å; G7-S10 PolarHBondContact O-OG 3.39Å; N8-S10 VanDerWaalsContact C-N 3.33Å; N8-S10 PolarHBondContact O-N 2.85Å; S10-V12 PolarHBondContact O-N 3.09Å; S10-S13 WeakPolarHBondContact CA-OG 3.41Å; S10-S13 CarbonylContact O-C 3.57Å; S10-S13 PolarHBondContact O-N 3.47Å; S10-S13 PolarHBondContact O-OG 2.82Å; S10-S14 PolarHBondContact O-N 3.37Å
11R97.2Very high94.4Very high184 Ų18479.2 Ų79.269%0.69442%0.424SS*.Hα-helixtrans-64-33.8174.9-72.6172.868.6-165.72.5113.8G7 N8 L9 S14G7-R11 WeakPolarHBondContact O-CD 3.49Å; G7-R11 VanDerWaalsContact O-CG 3.24Å; G7-R11 WeakPolarHBondContact O-CG 3.24Å; G7-R11 PolarHBondContact O-N 3.01Å; N8-R11 WeakPolarHBondContact O-CB 3.39Å; N8-R11 PolarHBondContact O-N 2.94Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 2.85Å; R11-S14 PolarHBondContact O-OG 2.96Å
12V96.5Very high95.6Very high66 Ų6668.9 Ų68.940%0.437%0.373SS..Hα-helixtrans-71.8-44.3173.8177.80000109.7N8 L9 S10 S14 N15 V21 V85N8-V12 WeakPolarHBondContact O-CG2 3.47Å; N8-V12 PolarHBondContact O-N 2.99Å; L9-V12 PolarHBondContact O-N 3.5Å; S10-V12 PolarHBondContact O-N 3.09Å; V12-S14 PolarHBondContact O-N 2.9Å; V12-N15 WeakPolarHBondContact O-CB 3.3Å; V12-N15 PolarHBondContact O-N 3.15Å; V12-V21 HydrophobicContact CB-CG2 4Å; V12-V21 HydrophobicContact CG1-CG1 4.43Å; V12-V21 HydrophobicContact CG1-CG2 3.6Å; V12-V85 HydrophobicContact CG1-CG1 4.48Å; V12-V85 HydrophobicContact CG1-CG2 4.27Å
13S95.2Very high96.1Very high22 Ų2263.1 Ų63.115%0.15435%0.347CS..Hα-helixtrans-68.5-16.1179.876.50000114.3L9 S10 N15 H34L9-S13 WeakPolarHBondContact O-CB 3.48Å; L9-S13 PolarHBondContact O-N 2.99Å; L9-S13 PolarHBondContact O-OG 3.12Å; S10-S13 WeakPolarHBondContact CA-OG 3.41Å; S10-S13 CarbonylContact O-C 3.57Å; S10-S13 PolarHBondContact O-N 3.47Å; S10-S13 PolarHBondContact O-OG 2.82Å; S13-N15 PolarHBondContact O-N 3.25Å; S13-H34 WeakPolarHBondContact CB-ND1 3.43Å; S13-H34 PolarHBondContact OG-CE1 2.83Å; S13-H34 PolarHBondContact OG-ND1 2.82Å
14S95.8Very high96.4Very high90 Ų9057.4 Ų57.463%0.62931%0.312SS*.THydrogen-bonded Turntrans-71.6-8.1175.465.50000113.3S10 R11 V12S10-S14 PolarHBondContact O-N 3.37Å; R11-S14 PolarHBondContact O-OG 2.96Å; V12-S14 PolarHBondContact O-N 2.9Å
15N96.3Very high96.4Very high81 Ų8151.7 Ų51.743%0.43329%0.289SS..SBendtrans-68127.1169.6-174.9-57.4000109.5V12 S13 K17 V18V12-N15 WeakPolarHBondContact O-CB 3.3Å; V12-N15 PolarHBondContact O-N 3.15Å; S13-N15 PolarHBondContact O-N 3.25Å; N15-K17 PolarHBondContact O-N 2.69Å; N15-K17 PolarHBondContact OD1-N 2.91Å; N15-K17 VanDerWaalsContact OD1-N 3.1Å; N15-V18 HydrophobicContact CB-CB 4.21Å; N15-V18 HydrophobicContact CB-CG2 3.74Å; N15-V18 PolarHBondContact O-N 3.49Å
16P95.2Very high96.4Very high131 Ų13152.4 Ų52.485%0.85130%0.298SS*.THydrogen-bonded Turntrans-57.1-24.9-173.3-27.334.3000115.8
17K96.1Very high96.4Very high104 Ų10455.4 Ų55.445%0.45232%0.315SS..THydrogen-bonded Turntrans-88.6-14.7178.4-68.3-165.1175.1-160.80113.4N15 K87 N88 Q89N15-K17 PolarHBondContact O-N 2.69Å; N15-K17 PolarHBondContact OD1-N 2.91Å; N15-K17 VanDerWaalsContact OD1-N 3.1Å; K17-K87 CarbonylContact O-C 3.39Å; K17-K87 WeakPolarHBondContact O-CA 3.47Å; K17-N88 PolarHBondContact O-N 3.46Å; K17-Q89 PolarHBondContact NZ-OXT 3.35Å
18V97.5Very high96.4Very high17 Ų1754.4 Ų54.410%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-84.4121.1-179.4176.50000108.8N15 V21 V85 H86 K87N15-V18 HydrophobicContact CB-CB 4.21Å; N15-V18 HydrophobicContact CB-CG2 3.74Å; N15-V18 PolarHBondContact O-N 3.49Å; V18-V21 HydrophobicContact CG1-CG2 3.64Å; V18-V85 HydrophobicContact CG1-CG1 3.89Å; V18-V85 HydrophobicContact CG2-CG1 3.81Å; V18-H86 CarbonylContact C-O 3.55Å; V18-H86 WeakPolarHBondContact CA-O 3.21Å; V18-K87 HydrophobicContact CG2-CD 4.42Å; V18-K87 HydrophobicContact CG2-CG 3.99Å
19T96.3Very high96.3Very high67 Ų6756.2 Ų56.241%0.41131%0.314SS..EExtended strand (participates in β ladder)trans-95.7-30.4-179.352.40000112.3H86 N88T19-H86 PolarHBondContact N-O 2.85Å; T19-H86 PolarHBondContact OG1-O 2.83Å; T19-N88 WeakPolarHBondContact CG2-ND2 3.45Å
20A97Very high96.3Very high1 Ų157.8 Ų57.81%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-160.2158174.700000112.1H34 V37 H86A20-H34 CarbonylContact C-O 3.57Å; A20-H34 VanDerWaalsContact CA-O 3.23Å; A20-H34 WeakPolarHBondContact CA-O 3.49Å; A20-V37 HydrophobicContact CB-CG1 3.65Å; A20-H86 HydrophobicContact CB-CB 4.34Å; A20-H86 PolarHBondContact O-N 2.8Å
21V97.5Very high96.2Very high1 Ų159.4 Ų59.41%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-135.4139.5172.5-169.20000108.5L9 V12 V18 S33 H34 T83 V84 V85L9-V21 HydrophobicContact CD2-CB 4.2Å; L9-V21 HydrophobicContact CD2-CG1 3.62Å; V12-V21 HydrophobicContact CB-CG2 4Å; V12-V21 HydrophobicContact CG1-CG1 4.43Å; V12-V21 HydrophobicContact CG1-CG2 3.6Å; V18-V21 HydrophobicContact CG1-CG2 3.64Å; V21-S33 CarbonylContact O-C 3.59Å; V21-S33 VanDerWaalsContact O-CA 3.22Å; V21-S33 WeakPolarHBondContact O-CA 3.49Å; V21-H34 PolarHBondContact N-O 2.65Å; V21-H34 PolarHBondContact O-N 3.36Å; V21-T83 HydrophobicContact CG1-CG2 4.19Å; V21-V84 CarbonylContact C-O 3.59Å; V21-V84 VanDerWaalsContact CA-O 3.29Å; V21-V84 WeakPolarHBondContact CA-O 3.42Å; V21-V85 HydrophobicContact CG1-CG2 4.2Å; V21-V85 HydrophobicContact CG2-CG1 4.49Å
22Q96.7Very high96.1Very high0 Ų051 Ų510%030%0.3CS..EExtended strand (participates in β ladder)trans-140.2147.317356.6-179.2-3800111.5I24 A32 V37 V84 H86Q22-I24 HydrophobicContact CG-CD1 4.39Å; Q22-I24 HydrophobicContact CG-CG1 4.45Å; Q22-A32 CarbonylContact C-O 3.58Å; Q22-A32 WeakPolarHBondContact CA-O 3.47Å; Q22-V37 HydrophobicContact CB-CG1 4.31Å; Q22-V37 HydrophobicContact CG-CG1 4.3Å; Q22-V84 HydrophobicContact CG-CB 3.79Å; Q22-V84 HydrophobicContact CG-CG2 4.21Å; Q22-V84 PolarHBondContact N-O 2.84Å; Q22-V84 PolarHBondContact O-N 3.41Å; Q22-H86 PolarHBondContact NE2-NE2 3.25Å
23C96.9Very high96.1Very high8 Ų849.9 Ų49.95%0.05430%0.295CS..EExtended strand (participates in β ladder)trans-108.6131.5170.5-69.20000108.8I31 A32 V81 L82C23-I31 HydrophobicContact CB-CB 4.32Å; C23-I31 PolarHBondContact O-N 3.07Å; C23-A32 PolarHBondContact N-O 2.95Å; C23-V81 HydrophobicContact CB-CG1 3.87Å; C23-L82 CarbonylContact C-O 3.58Å; C23-L82 WeakPolarHBondContact CA-O 3.5Å
24I97.6Very high96.1Very high0 Ų052.7 Ų52.70%031%0.305CS..EExtended strand (participates in β ladder)trans-124136.1-175.2-55.3165.9000107.8Q22 L29 A42 L45 L82 V84Q22-I24 HydrophobicContact CG-CD1 4.39Å; Q22-I24 HydrophobicContact CG-CG1 4.45Å; I24-L29 CarbonylContact C-O 3.59Å; I24-L29 VanDerWaalsContact CA-O 3.3Å; I24-L29 WeakPolarHBondContact CA-O 3.38Å; I24-A42 HydrophobicContact CD1-CB 3.94Å; I24-A42 HydrophobicContact CG1-CB 3.94Å; I24-A42 HydrophobicContact CG2-CB 4.12Å; I24-L45 HydrophobicContact CD1-CB 4.07Å; I24-L45 HydrophobicContact CD1-CD1 4.31Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CD1-CD2 4.35Å; I24-L82 PolarHBondContact N-O 3.1Å; I24-L82 PolarHBondContact O-N 2.89Å; I24-V84 HydrophobicContact CD1-CG2 3.68Å
25D96.2Very high96Very high40 Ų4050.5 Ų50.521%0.21430%0.297CS..  trans-80.3179.9176.868.319.4000113.1D27 G28 L29 I31D25-D27 PolarHBondContact O-N 3.46Å; D25-D27 WeakPolarHBondContact OD1-CA 3.43Å; D25-D27 PolarHBondContact OD1-N 2.79Å; D25-G28 PolarHBondContact O-N 2.91Å; D25-G28 VanDerWaalsContact O-N 3.15Å; D25-G28 PolarHBondContact OD1-N 2.92Å; D25-L29 PolarHBondContact N-O 3.4Å; D25-L29 PolarHBondContact OD1-N 3.17Å; D25-L29 WeakPolarHBondContact OD2-CB 3.29Å; D25-I31 HydrophobicContact CB-CD1 3.94Å; D25-I31 HydrophobicContact CB-CG1 4.01Å
26S94.9Very high95.7Very high70 Ų7053.3 Ų53.349%0.4932%0.317SS..THydrogen-bonded Turntrans-64.3-19.7178.3550000114K50 G80S26-K50 WeakPolarHBondContact O-CE 3.37Å; S26-K50 PolarHBondContact O-NZ 3.44Å; S26-G80 PolarHBondContact N-O 3.24Å
27D95.3Very high95.4Very high131 Ų13148.5 Ų48.570%0.70129%0.285SS*.THydrogen-bonded Turntrans-92.8-4178.8-63.6-38000112.1D25 L29D25-D27 PolarHBondContact O-N 3.46Å; D25-D27 WeakPolarHBondContact OD1-CA 3.43Å; D25-D27 PolarHBondContact OD1-N 2.79Å; D27-L29 HydrophobicContact CB-CG 4.49Å
28G96Very high95.1Very high7 Ų747.6 Ų47.67%0.07229%0.285CS..SBendtrans86.618.2179.400000113.5D25 A42 G43D25-G28 PolarHBondContact O-N 2.91Å; D25-G28 VanDerWaalsContact O-N 3.15Å; D25-G28 PolarHBondContact OD1-N 2.92Å; G28-A42 CarbonylContact O-C 3.56Å; G28-A42 WeakPolarHBondContact O-CB 3.37Å; G28-G43 PolarHBondContact O-N 2.82Å; G28-G43 VanDerWaalsContact O-N 3.15Å
29L95.6Very high94.4Very high109 Ų10951.8 Ų51.857%0.57131%0.307SS*.  trans-93141.4176.5-54.7173.8000110.6I24 D25 D27 I31I24-L29 CarbonylContact C-O 3.59Å; I24-L29 VanDerWaalsContact CA-O 3.3Å; I24-L29 WeakPolarHBondContact CA-O 3.38Å; D25-L29 PolarHBondContact N-O 3.4Å; D25-L29 PolarHBondContact OD1-N 3.17Å; D25-L29 WeakPolarHBondContact OD2-CB 3.29Å; D27-L29 HydrophobicContact CB-CG 4.49Å; L29-I31 PolarHBondContact O-N 2.78Å
30C95.4Very high94Very high41 Ų4156.4 Ų56.428%0.27732%0.324SS..EExtended strand (participates in β ladder)trans-71.7122175.1-168.20000109.9A42C30-A42 HydrophobicContact CB-CB 4.38Å
31I94.9Very high93.8Very high77 Ų7758.8 Ų58.840%0.39534%0.338SS..EExtended strand (participates in β ladder)trans-81.5-48.1174.4-58.9168.8000109.8L5 C23 D25 L29 V81L5-I31 HydrophobicContact CD2-CG2 4.02Å; C23-I31 HydrophobicContact CB-CB 4.32Å; C23-I31 PolarHBondContact O-N 3.07Å; D25-I31 HydrophobicContact CB-CD1 3.94Å; D25-I31 HydrophobicContact CB-CG1 4.01Å; L29-I31 PolarHBondContact O-N 2.78Å; I31-V81 HydrophobicContact CD1-CG1 3.98Å; I31-V81 HydrophobicContact CD1-CG2 4.04Å
32A95.3Very high93.7Very high9 Ų958.8 Ų58.87%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-162.7150.7-178.400000110.2L5 L6 L9 Q22 C23L5-A32 HydrophobicContact CD2-CB 3.75Å; L5-A32 HydrophobicContact CG-CB 4.23Å; L6-A32 HydrophobicContact CD2-CB 4.17Å; L9-A32 HydrophobicContact CD1-CB 3.7Å; Q22-A32 CarbonylContact C-O 3.58Å; Q22-A32 WeakPolarHBondContact CA-O 3.47Å; C23-A32 PolarHBondContact N-O 2.95Å
33S95.8Very high93.7Very high42 Ų4260.6 Ų60.629%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-142.2160.2176.263.10000111.9V21 V37V21-S33 CarbonylContact O-C 3.59Å; V21-S33 VanDerWaalsContact O-CA 3.22Å; V21-S33 WeakPolarHBondContact O-CA 3.49Å; S33-V37 WeakPolarHBondContact OG-CG2 3.26Å
34H96.2Very high93.7Very high81 Ų8164.3 Ų64.338%0.37538%0.38SS..EExtended strand (participates in β ladder)trans-141.2128.3170.8-167.1-78.2000109.3L9 S13 A20 V21L9-H34 HydrophobicContact CB-CB 3.9Å; S13-H34 WeakPolarHBondContact CB-ND1 3.43Å; S13-H34 PolarHBondContact OG-CE1 2.83Å; S13-H34 PolarHBondContact OG-ND1 2.82Å; A20-H34 CarbonylContact C-O 3.57Å; A20-H34 VanDerWaalsContact CA-O 3.23Å; A20-H34 WeakPolarHBondContact CA-O 3.49Å; V21-H34 PolarHBondContact N-O 2.65Å; V21-H34 PolarHBondContact O-N 3.36Å
35G94.2Very high93.7Very high44 Ų4465.1 Ų65.145%0.45438%0.384SS..EExtended strand (participates in β ladder)trans95.6-173.7-168.600000112.4V37G35-V37 PolarHBondContact O-N 3.17Å
36T88.5Confident93.7Very high139 Ų13963.5 Ų63.585%0.85338%0.376SS*.SBendtrans-86.8103.3-177.4-51.40000110.3
37V90.3Very high93.8Very high31 Ų3162.7 Ų62.719%0.18837%0.37CS..  trans-117.9153.1170.8-68.90000110.7A20 Q22 S33 G35A20-V37 HydrophobicContact CB-CG1 3.65Å; Q22-V37 HydrophobicContact CB-CG1 4.31Å; Q22-V37 HydrophobicContact CG-CG1 4.3Å; S33-V37 WeakPolarHBondContact OG-CG2 3.26Å; G35-V37 PolarHBondContact O-N 3.17Å
38N88.5Confident93.9Very high85 Ų8559.9 Ų59.946%0.45535%0.354SS..  trans-99.7111.7167.1177.6-2.8000108.2Q40 T41N38-Q40 PolarHBondContact O-N 3.23Å; N38-Q40 VanDerWaalsContact O-N 3.08Å; N38-Q40 VanDerWaalsContact OD1-CB 3.3Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.38Å; N38-Q40 WeakPolarHBondContact OD1-CG 3.37Å; N38-Q40 PolarHBondContact OD1-N 3.43Å; N38-T41 HydrophobicContact CB-CG2 4.01Å; N38-T41 WeakPolarHBondContact O-CB 3.44Å; N38-T41 PolarHBondContact O-N 3.16Å; N38-T41 PolarHBondContact O-OG1 3.15Å
39D83.7Confident94Very high105 Ų10560.1 Ų60.156%0.56135%0.353SS*.THydrogen-bonded Turntrans-57.8-25.8-177.5-61-19.1000113T41 A42D39-T41 PolarHBondContact O-N 3.36Å; D39-T41 VanDerWaalsContact O-N 3.16Å; D39-A42 WeakPolarHBondContact O-CB 3.34Å; D39-A42 PolarHBondContact O-N 2.97Å
40Q86.4Confident94Very high163 Ų16360.2 Ų60.276%0.76235%0.349SS*.THydrogen-bonded Turntrans-64.6-18.4175.4-60.4-178.6-30.200113N38N38-Q40 PolarHBondContact O-N 3.23Å; N38-Q40 VanDerWaalsContact O-N 3.08Å; N38-Q40 VanDerWaalsContact OD1-CB 3.3Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.38Å; N38-Q40 WeakPolarHBondContact OD1-CG 3.37Å; N38-Q40 PolarHBondContact OD1-N 3.43Å
41T93.7Very high94Very high51 Ų5164.8 Ų64.831%0.31337%0.366SS..Hα-helixtrans-81.7-17178.766.20000113N38 D39 G43 V44 L45N38-T41 HydrophobicContact CB-CG2 4.01Å; N38-T41 WeakPolarHBondContact O-CB 3.44Å; N38-T41 PolarHBondContact O-N 3.16Å; N38-T41 PolarHBondContact O-OG1 3.15Å; D39-T41 PolarHBondContact O-N 3.36Å; D39-T41 VanDerWaalsContact O-N 3.16Å; T41-G43 PolarHBondContact O-N 3Å; T41-V44 PolarHBondContact O-N 3.37Å; T41-V44 VanDerWaalsContact O-N 3.1Å; T41-L45 WeakPolarHBondContact O-CG 3.37Å; T41-L45 PolarHBondContact O-N 2.92Å
42A96.4Very high94Very high1 Ų162.1 Ų62.11%0.00836%0.356CS..Hα-helixtrans-58.3-45.9-175.600000112.3I24 G28 C30 D39 V44 L45 S46I24-A42 HydrophobicContact CD1-CB 3.94Å; I24-A42 HydrophobicContact CG1-CB 3.94Å; I24-A42 HydrophobicContact CG2-CB 4.12Å; G28-A42 CarbonylContact O-C 3.56Å; G28-A42 WeakPolarHBondContact O-CB 3.37Å; C30-A42 HydrophobicContact CB-CB 4.38Å; D39-A42 WeakPolarHBondContact O-CB 3.34Å; D39-A42 PolarHBondContact O-N 2.97Å; A42-V44 VanDerWaalsContact C-N 3.34Å; A42-V44 PolarHBondContact O-N 3.49Å; A42-L45 PolarHBondContact O-N 2.87Å; A42-S46 WeakPolarHBondContact O-CB 3.22Å; A42-S46 PolarHBondContact O-N 2.87Å
43G96Very high93.9Very high38 Ų3863.7 Ų63.739%0.39237%0.368SS..Hα-helixtrans-63.6-38.1176.700000113G28 T41 S47G28-G43 PolarHBondContact O-N 2.82Å; G28-G43 VanDerWaalsContact O-N 3.15Å; T41-G43 PolarHBondContact O-N 3Å; G43-S47 WeakPolarHBondContact O-CB 3.48Å; G43-S47 PolarHBondContact O-N 3.43Å
44V96.6Very high93.8Very high87 Ų8764.6 Ų64.653%0.52739%0.385SS..Hα-helixtrans-66.2-48177178.70000110.5T41 A42 S46 S47 I48T41-V44 PolarHBondContact O-N 3.37Å; T41-V44 VanDerWaalsContact O-N 3.1Å; A42-V44 VanDerWaalsContact C-N 3.34Å; A42-V44 PolarHBondContact O-N 3.49Å; V44-S46 PolarHBondContact O-N 2.97Å; V44-S47 PolarHBondContact O-N 3.34Å; V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 VanDerWaalsContact O-CG1 3.3Å; V44-I48 WeakPolarHBondContact O-CG1 3.23Å; V44-I48 PolarHBondContact O-N 3.3Å
45L97.5Very high93.6Very high16 Ų1667.2 Ų67.28%0.08440%0.4CS..Hα-helixtrans-62.4-43179.3-69.2165.8000111.7I24 T41 A42 I48 Y49 I66 L75 V84I24-L45 HydrophobicContact CD1-CB 4.07Å; I24-L45 HydrophobicContact CD1-CD1 4.31Å; T41-L45 WeakPolarHBondContact O-CG 3.37Å; T41-L45 PolarHBondContact O-N 2.92Å; A42-L45 PolarHBondContact O-N 2.87Å; L45-I48 PolarHBondContact O-N 2.96Å; L45-Y49 WeakPolarHBondContact O-CB 3.49Å; L45-Y49 PolarHBondContact O-N 3.49Å; L45-I66 HydrophobicContact CD2-CD1 4.15Å; L45-L75 HydrophobicContact CB-CD2 4.13Å; L45-L75 HydrophobicContact CD2-CD1 4.39Å; L45-L75 HydrophobicContact CD2-CD2 4.07Å; L45-V84 HydrophobicContact CD1-CG1 4.25Å; L45-V84 HydrophobicContact CD1-CG2 4.28Å
46S97Very high93.4Very high6 Ų672.1 Ų72.14%0.04241%0.411CS..Hα-helixtrans-60.8-44.3174.1-178.80000111.7A42 V44 Y49 K50A42-S46 WeakPolarHBondContact O-CB 3.22Å; A42-S46 PolarHBondContact O-N 2.87Å; V44-S46 PolarHBondContact O-N 2.97Å; S46-Y49 PolarHBondContact O-N 3.4Å; S46-K50 WeakPolarHBondContact O-CB 3.33Å; S46-K50 VanDerWaalsContact O-CG 3.29Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 2.91Å; S46-K50 WeakPolarHBondContact OG-CE 3.44Å
47S96.9Very high93.1Very high54 Ų5475.7 Ų75.738%0.37842%0.418SS..Hα-helixtrans-62.9-47.5177.2-173.70000112.2G43 V44 Y49 K50 H51G43-S47 WeakPolarHBondContact O-CB 3.48Å; G43-S47 PolarHBondContact O-N 3.43Å; V44-S47 PolarHBondContact O-N 3.34Å; S47-Y49 VanDerWaalsContact C-N 3.31Å; S47-Y49 PolarHBondContact O-N 3.38Å; S47-K50 PolarHBondContact O-N 2.78Å; S47-H51 PolarHBondContact O-N 3.2Å; S47-H51 PolarHBondContact O-ND1 3.02Å; S47-H51 PolarHBondContact OG-CE1 3.38Å
48I97Very high92.9Very high72 Ų7277.3 Ų77.337%0.36943%0.43SS..Hα-helixtrans-58.3-46.5177.4-66.5167.7000110.1V44 L45 H51 A52 L64 I66V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 VanDerWaalsContact O-CG1 3.3Å; V44-I48 WeakPolarHBondContact O-CG1 3.23Å; V44-I48 PolarHBondContact O-N 3.3Å; L45-I48 PolarHBondContact O-N 2.96Å; I48-H51 PolarHBondContact O-N 2.85Å; I48-A52 WeakPolarHBondContact O-CB 3.49Å; I48-A52 PolarHBondContact O-N 2.95Å; I48-L64 HydrophobicContact CG2-CD2 3.59Å; I48-I66 HydrophobicContact CD1-CD1 4.29Å; I48-I66 HydrophobicContact CG2-CD1 4.28Å
49Y97.5Very high92.6Very high11 Ų1179.4 Ų79.44%0.04345%0.452CS..Hα-helixtrans-60.8-46.9179.1-173.1-92.5000112.2L45 S46 S47 H51 A52 A53 S61 P62 L64 L75 E77 L82L45-Y49 WeakPolarHBondContact O-CB 3.49Å; L45-Y49 PolarHBondContact O-N 3.49Å; S46-Y49 PolarHBondContact O-N 3.4Å; S47-Y49 VanDerWaalsContact C-N 3.31Å; S47-Y49 PolarHBondContact O-N 3.38Å; Y49-H51 VanDerWaalsContact C-N 3.31Å; Y49-H51 PolarHBondContact O-N 2.85Å; Y49-A52 PolarHBondContact O-N 2.79Å; Y49-A52 VanDerWaalsContact O-N 3.14Å; Y49-A53 HydrophobicContact CE1-CB 4.43Å; Y49-A53 WeakPolarHBondContact O-CB 3.38Å; Y49-A53 PolarHBondContact O-N 2.94Å; Y49-S61 WeakPolarHBondContact OH-CB 3.46Å; Y49-P62 HydrophobicContact CE2-CG 4.4Å; Y49-P62 VanDerWaalsContact CE2-O 3.26Å; Y49-P62 WeakPolarHBondContact CE2-O 3.29Å; Y49-P62 PolarHBondContact OH-O 2.96Å; Y49-L64 HydrophobicContact CD2-CB 4.17Å; Y49-L64 HydrophobicContact CE2-CB 4.48Å; Y49-L75 HydrophobicContact CD2-CB 3.89Å; Y49-L75 HydrophobicContact CE2-CB 4.45Å; Y49-E77 HydrophobicContact CD1-CB 4.11Å; Y49-E77 HydrophobicContact CE1-CB 3.27Å; Y49-E77 HydrophobicContact CE1-CG 4.11Å; Y49-E77 HydrophobicContact CE2-CB 4.43Å; Y49-E77 VanDerWaalsContact CZ-CB 3.47Å; Y49-E77 WeakPolarHBondContact OH-CB 3.3Å; Y49-E77 PolarHBondContact OH-N 3.3Å; Y49-L82 HydrophobicContact CD1-CD1 4.06Å; Y49-L82 HydrophobicContact CD2-CD1 3.65Å; Y49-L82 HydrophobicContact CE1-CD1 4.41Å; Y49-L82 HydrophobicContact CE2-CD1 4.02Å; Y49-L82 HydrophobicContact CG-CD1 3.67Å; Y49-L82 HydrophobicContact CG-CD2 4.21Å
50K95.1Very high92.8Very high112 Ų11281.9 Ų81.949%0.48746%0.46SS..Hα-helixtrans-59.6-40.7178.1-73.9171.3-178.3175.90112.4S26 S46 S47 G54S26-K50 WeakPolarHBondContact O-CE 3.37Å; S26-K50 PolarHBondContact O-NZ 3.44Å; S46-K50 WeakPolarHBondContact O-CB 3.33Å; S46-K50 VanDerWaalsContact O-CG 3.29Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 2.91Å; S46-K50 WeakPolarHBondContact OG-CE 3.44Å; S47-K50 PolarHBondContact O-N 2.78Å; K50-G54 PolarHBondContact O-N 3.32Å
51H95.4Very high93Very high137 Ų13777.2 Ų77.263%0.63445%0.445SS*.Hα-helixtrans-67-40.7175.6-73.983.8000111.6S47 I48 Y49 G54S47-H51 PolarHBondContact O-N 3.2Å; S47-H51 PolarHBondContact O-ND1 3.02Å; S47-H51 PolarHBondContact OG-CE1 3.38Å; I48-H51 PolarHBondContact O-N 2.85Å; Y49-H51 VanDerWaalsContact C-N 3.31Å; Y49-H51 PolarHBondContact O-N 2.85Å; H51-G54 PolarHBondContact O-N 2.84Å
52A95.4Very high93.1Very high21 Ų2176.9 Ų76.917%0.17444%0.444CS..Hα-helixtrans-65.1-39.7176.700000112.5I48 Y49 G54 I55 L64I48-A52 WeakPolarHBondContact O-CB 3.49Å; I48-A52 PolarHBondContact O-N 2.95Å; Y49-A52 PolarHBondContact O-N 2.79Å; Y49-A52 VanDerWaalsContact O-N 3.14Å; A52-G54 PolarHBondContact O-N 3.14Å; A52-I55 HydrophobicContact CB-CD1 4.48Å; A52-I55 WeakPolarHBondContact O-CB 3.43Å; A52-I55 WeakPolarHBondContact O-CG1 3.5Å; A52-I55 PolarHBondContact O-N 3.19Å; A52-L64 HydrophobicContact CB-CD1 4.24Å; A52-L64 HydrophobicContact CB-CD2 4.21Å
53A93.9Very high93.1Very high41 Ų4181.4 Ų81.434%0.33947%0.471SS..Hα-helixtrans-64.2-21.5175.900000113.5Y49 P62Y49-A53 HydrophobicContact CE1-CB 4.43Å; Y49-A53 WeakPolarHBondContact O-CB 3.38Å; Y49-A53 PolarHBondContact O-N 2.94Å; A53-P62 HydrophobicContact CB-CG 4.07Å
54G92.8Very high93.2Very high62 Ų6281.4 Ų81.464%0.63946%0.462SS*.THydrogen-bonded Turntrans-89.32.9175.900000115.3K50 H51 A52K50-G54 PolarHBondContact O-N 3.32Å; H51-G54 PolarHBondContact O-N 2.84Å; A52-G54 PolarHBondContact O-N 3.14Å
55I93.5Very high93.2Very high135 Ų13581.7 Ų81.769%0.69246%0.46SS*.SBendtrans-70.5-41.6-178.6-67.5173.5000111.3A52A52-I55 HydrophobicContact CB-CD1 4.48Å; A52-I55 WeakPolarHBondContact O-CB 3.43Å; A52-I55 WeakPolarHBondContact O-CG1 3.5Å; A52-I55 PolarHBondContact O-N 3.19Å
56E89Confident93.2Very high147 Ų14783.7 Ų83.769%0.68747%0.47SS*.SBendtrans-117.5138176.3-64.9-170.8172.100109.4S58E56-S58 PolarHBondContact O-N 3.26Å
57E82.9Confident93.2Very high215 Ų21589.7 Ų89.7100%1.00550%0.497SS*.  trans-74.470.2170-69.3-173.6178.100109.8
58S86.4Confident93.1Very high64 Ų6493.9 Ų93.945%0.44851%0.509SS..  trans-110.6146.2174.3-178.90000110.2E56 E60E56-S58 PolarHBondContact O-N 3.26Å; S58-E60 PolarHBondContact O-N 3.25Å; S58-E60 PolarHBondContact OG-N 3.24Å; S58-E60 VanDerWaalsContact OG-N 3.09Å
59S81.1Confident93.1Very high129 Ų12997.7 Ų97.790%0.90253%0.525SS*.SBendtrans-78.3-4.8169.259.60000113.1
60E88.4Confident93Very high158 Ų158100.6 Ų100.674%0.73855%0.547SS*.SBendtrans-93.1126.3-179.5-60.4-170.5167.200111.4S58S58-E60 PolarHBondContact O-N 3.25Å; S58-E60 PolarHBondContact OG-N 3.24Å; S58-E60 VanDerWaalsContact OG-N 3.09Å
61S91.1Very high93.1Very high64 Ų64100.9 Ų100.945%0.44855%0.548SS..PPolyproline II helixtrans-65.6123173.1-64.60000110Y49 E77Y49-S61 WeakPolarHBondContact OH-CB 3.46Å; S61-E77 PolarHBondContact OG-OE2 2.89Å
62P95.2Very high93.1Very high45 Ų4594.9 Ų94.929%0.29252%0.522SS..PPolyproline II helixtrans-73161.6-176.931.1-37.2000111.9Y49 A53Y49-P62 HydrophobicContact CE2-CG 4.4Å; Y49-P62 VanDerWaalsContact CE2-O 3.26Å; Y49-P62 WeakPolarHBondContact CE2-O 3.29Å; Y49-P62 PolarHBondContact OH-O 2.96Å; A53-P62 HydrophobicContact CB-CG 4.07Å
63V96.8Very high93.2Very high95 Ų9595 Ų9558%0.57652%0.521SS*.EExtended strand (participates in β ladder)trans-97.8120.1161.6178.80000108.1I74V63-I74 HydrophobicContact CG1-CG2 3.8Å
64L97.6Very high93.4Very high38 Ų3895.3 Ų95.320%0.19952%0.517CS..EExtended strand (participates in β ladder)trans-101.7136.5178176.270.3000110.2I48 Y49 A52 I66 I74 L75I48-L64 HydrophobicContact CG2-CD2 3.59Å; Y49-L64 HydrophobicContact CD2-CB 4.17Å; Y49-L64 HydrophobicContact CE2-CB 4.48Å; A52-L64 HydrophobicContact CB-CD1 4.24Å; A52-L64 HydrophobicContact CB-CD2 4.21Å; L64-I66 HydrophobicContact CD2-CD1 4.48Å; L64-I66 HydrophobicContact CD2-CG1 4.35Å; L64-I66 HydrophobicContact CG-CG1 4.41Å; L64-I74 CarbonylContact O-C 3.48Å; L64-I74 WeakPolarHBondContact O-CA 3.36Å; L64-L75 HydrophobicContact CB-CB 4.07Å; L64-L75 HydrophobicContact CD2-CD2 4.25Å; L64-L75 PolarHBondContact N-O 3.1Å; L64-L75 PolarHBondContact O-N 2.9Å
65I97.7Very high93.7Very high93 Ų9392.3 Ų92.348%0.47749%0.486SS..EExtended strand (participates in β ladder)trans-120.7125.1174.6-53.2177.5000108.2E67 S73 I74I65-E67 HydrophobicContact CG2-CG 3.77Å; I65-S73 WeakPolarHBondContact CA-O 3.37Å; I65-I74 HydrophobicContact CG1-CG1 4.49Å
66I96.9Very high93.9Very high59 Ų5988 Ų8830%0.30347%0.468SS..EExtended strand (participates in β ladder)trans-108.5116.4172.5-55.3173.6000107.3L45 I48 L64 S72 S73 L75L45-I66 HydrophobicContact CD2-CD1 4.15Å; I48-I66 HydrophobicContact CD1-CD1 4.29Å; I48-I66 HydrophobicContact CG2-CD1 4.28Å; L64-I66 HydrophobicContact CD2-CD1 4.48Å; L64-I66 HydrophobicContact CD2-CG1 4.35Å; L64-I66 HydrophobicContact CG-CG1 4.41Å; I66-S72 CarbonylContact O-C 3.52Å; I66-S72 WeakPolarHBondContact O-CA 3.45Å; I66-S73 PolarHBondContact N-O 2.89Å; I66-S73 PolarHBondContact O-N 2.65Å; I66-L75 HydrophobicContact CD1-CD1 3.99Å; I66-L75 HydrophobicContact CG1-CD1 4.26Å
67E97.1Very high94.3Very high132 Ų13283.1 Ų83.162%0.61745%0.445SS*.EExtended strand (participates in β ladder)trans-108.9136.9-179.9-58-171.6128.700110.8I65 Q89I65-E67 HydrophobicContact CG2-CG 3.77Å; E67-Q89 PolarHBondContact OE1-NE2 3.27Å
68F95.3Very high94.8Very high141 Ų14176.6 Ų76.662%0.61842%0.419SS*.EExtended strand (participates in β ladder)trans-150.5116.9174-176.6-98.5000109.8S70 K71F68-S70 PolarHBondContact O-N 3.25Å; F68-K71 PolarHBondContact N-O 3.02Å; F68-K71 WeakPolarHBondContact O-CB 3.3Å; F68-K71 PolarHBondContact O-N 3.26Å
69E95.9Very high95.2Very high153 Ų15384.2 Ų84.272%0.71544%0.44SS*.THydrogen-bonded Turntrans51.5-122.4-174.8-59.1178.116900111.7K71E69-K71 VanDerWaalsContact C-N 3.3Å
70S95.9Very high95.8Very high72 Ų7280 Ų8050%0.50342%0.416SS..THydrogen-bonded Turntrans-92.220.9177.6570000113.3F68 N88 Q89F68-S70 PolarHBondContact O-N 3.25Å; S70-N88 CarbonylContact O-C 3.59Å; S70-N88 WeakPolarHBondContact O-CA 3.32Å; S70-Q89 PolarHBondContact O-N 2.94Å
71K96Very high96.2Very high117 Ų11774.7 Ų74.751%0.50940%0.395SS..EExtended strand (participates in β ladder)trans-125.9146.5-177.5-60.7177.8-175.9171.50111.1F68 E69 K87F68-K71 PolarHBondContact N-O 3.02Å; F68-K71 WeakPolarHBondContact O-CB 3.3Å; F68-K71 PolarHBondContact O-N 3.26Å; E69-K71 VanDerWaalsContact C-N 3.3Å; K71-K87 CarbonylContact C-O 3.49Å; K71-K87 WeakPolarHBondContact CA-O 3.39Å
72S97.1Very high96.6Very high12 Ų1271.9 Ų71.98%0.08438%0.375CS..EExtended strand (participates in β ladder)trans-136.9150.6168.465.40000112.4I66 K87I66-S72 CarbonylContact O-C 3.52Å; I66-S72 WeakPolarHBondContact O-CA 3.45Å; S72-K87 PolarHBondContact N-O 2.82Å; S72-K87 PolarHBondContact O-N 3.08Å
73S97.1Very high96.7Very high23 Ų2372 Ų7216%0.16138%0.375CS..EExtended strand (participates in β ladder)trans-119.4123.8169.8-54.50000108.5I65 I66 V85 H86I65-S73 WeakPolarHBondContact CA-O 3.37Å; I66-S73 PolarHBondContact N-O 2.89Å; I66-S73 PolarHBondContact O-N 2.65Å; S73-V85 WeakPolarHBondContact CA-O 3.46Å; S73-H86 PolarHBondContact OG-ND1 2.69Å
74I98.1Very high96.8Very high47 Ų4767.5 Ų67.524%0.24135%0.348CS..EExtended strand (participates in β ladder)trans-103.9123.8177.8-54.4171.7000107.6V63 L64 I65 V84 V85 K87V63-I74 HydrophobicContact CG1-CG2 3.8Å; L64-I74 CarbonylContact O-C 3.48Å; L64-I74 WeakPolarHBondContact O-CA 3.36Å; I65-I74 HydrophobicContact CG1-CG1 4.49Å; I74-V84 CarbonylContact O-C 3.51Å; I74-V84 WeakPolarHBondContact O-CA 3.15Å; I74-V85 PolarHBondContact N-O 2.9Å; I74-V85 PolarHBondContact O-N 2.89Å; I74-K87 HydrophobicContact CD1-CD 3.83Å
75L98.3Very high96.8Very high0 Ų067 Ų670%035%0.346CS..EExtended strand (participates in β ladder)trans-115.6125.6-175.4-76.981.1000108.7L45 Y49 L64 I66 L82 T83 V84L45-L75 HydrophobicContact CB-CD2 4.13Å; L45-L75 HydrophobicContact CD2-CD1 4.39Å; L45-L75 HydrophobicContact CD2-CD2 4.07Å; Y49-L75 HydrophobicContact CD2-CB 3.89Å; Y49-L75 HydrophobicContact CE2-CB 4.45Å; L64-L75 HydrophobicContact CB-CB 4.07Å; L64-L75 HydrophobicContact CD2-CD2 4.25Å; L64-L75 PolarHBondContact N-O 3.1Å; L64-L75 PolarHBondContact O-N 2.9Å; I66-L75 HydrophobicContact CD1-CD1 3.99Å; I66-L75 HydrophobicContact CG1-CD1 4.26Å; L75-L82 HydrophobicContact CB-CD1 4.05Å; L75-L82 HydrophobicContact CD2-CD2 4.24Å; L75-T83 WeakPolarHBondContact CA-O 3.41Å; L75-V84 HydrophobicContact CD1-CG1 3.95Å; L75-V84 HydrophobicContact CD2-CG2 4.42Å; L75-V84 HydrophobicContact CG-CB 4.48Å; L75-V84 HydrophobicContact CG-CG1 4.01Å; L75-V84 HydrophobicContact CG-CG2 3.99Å
76C97.8Very high96.8Very high45 Ų4564.1 Ų64.130%0.30433%0.33SS..EExtended strand (participates in β ladder)trans-143.7124.7179.2-178.60000109.7T83C76-T83 PolarHBondContact N-O 3.35Å; C76-T83 PolarHBondContact O-N 2.8Å
77E96.9Very high96.7Very high43 Ų4364.3 Ų64.320%0.20133%0.329CS..EExtended strand (participates in β ladder)trans-100.1134.1178.1-176.7-76.913300110.6Y49 S61 Y79 G80 V81 L82Y49-E77 HydrophobicContact CD1-CB 4.11Å; Y49-E77 HydrophobicContact CE1-CB 3.27Å; Y49-E77 HydrophobicContact CE1-CG 4.11Å; Y49-E77 HydrophobicContact CE2-CB 4.43Å; Y49-E77 VanDerWaalsContact CZ-CB 3.47Å; Y49-E77 WeakPolarHBondContact OH-CB 3.3Å; Y49-E77 PolarHBondContact OH-N 3.3Å; S61-E77 PolarHBondContact OG-OE2 2.89Å; E77-Y79 PolarHBondContact OE1-N 2.87Å; E77-Y79 VanDerWaalsContact OE1-N 3.12Å; E77-G80 VanDerWaalsContact OE1-CA 3.27Å; E77-G80 WeakPolarHBondContact OE1-CA 3.37Å; E77-G80 PolarHBondContact OE1-N 2.8Å; E77-V81 WeakPolarHBondContact CA-O 3.39Å; E77-L82 HydrophobicContact CB-CD1 4.18Å
78V95.3Very high96.6Very high78 Ų7861.5 Ų61.547%0.47332%0.318SS..EExtended strand (participates in β ladder)trans-142.7126.7172.9-174.20000109.2G80 V81V78-G80 PolarHBondContact O-N 2.87Å; V78-V81 PolarHBondContact N-O 2.89Å; V78-V81 PolarHBondContact O-N 2.82Å; V78-V81 VanDerWaalsContact O-N 3.14Å
79Y93.6Very high96Very high225 Ų22560.6 Ų60.688%0.88232%0.316SS*.THydrogen-bonded Turntrans54.442.9176.8-54.9-52.7000114.8E77 V81E77-Y79 PolarHBondContact OE1-N 2.87Å; E77-Y79 VanDerWaalsContact OE1-N 3.12Å; Y79-V81 VanDerWaalsContact C-N 3.3Å; Y79-V81 PolarHBondContact O-N 2.87Å
80G94.5Very high96Very high39 Ų3956 Ų5640%0.40230%0.296SS..THydrogen-bonded Turntrans80.23.9-179.400000114.7S26 E77 V78S26-G80 PolarHBondContact N-O 3.24Å; E77-G80 VanDerWaalsContact OE1-CA 3.27Å; E77-G80 WeakPolarHBondContact OE1-CA 3.37Å; E77-G80 PolarHBondContact OE1-N 2.8Å; V78-G80 PolarHBondContact O-N 2.87Å
81V97.1Very high96Very high47 Ų4755.2 Ų55.229%0.28529%0.285SS..EExtended strand (participates in β ladder)trans-115.9115.5-178.3-179.40000110.1C23 I31 E77 V78 Y79 T83C23-V81 HydrophobicContact CB-CG1 3.87Å; I31-V81 HydrophobicContact CD1-CG1 3.98Å; I31-V81 HydrophobicContact CD1-CG2 4.04Å; E77-V81 WeakPolarHBondContact CA-O 3.39Å; V78-V81 PolarHBondContact N-O 2.89Å; V78-V81 PolarHBondContact O-N 2.82Å; V78-V81 VanDerWaalsContact O-N 3.14Å; Y79-V81 VanDerWaalsContact C-N 3.3Å; Y79-V81 PolarHBondContact O-N 2.87Å; V81-T83 PolarHBondContact O-N 2.99Å
82L98.1Very high96Very high6 Ų651.7 Ų51.73%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-82115.2172.9177.262.8000109.8C23 I24 Y49 L75 E77 V84C23-L82 CarbonylContact C-O 3.58Å; C23-L82 WeakPolarHBondContact CA-O 3.5Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CD1-CD2 4.35Å; I24-L82 PolarHBondContact N-O 3.1Å; I24-L82 PolarHBondContact O-N 2.89Å; Y49-L82 HydrophobicContact CD1-CD1 4.06Å; Y49-L82 HydrophobicContact CD2-CD1 3.65Å; Y49-L82 HydrophobicContact CE1-CD1 4.41Å; Y49-L82 HydrophobicContact CE2-CD1 4.02Å; Y49-L82 HydrophobicContact CG-CD1 3.67Å; Y49-L82 HydrophobicContact CG-CD2 4.21Å; L75-L82 HydrophobicContact CB-CD1 4.05Å; L75-L82 HydrophobicContact CD2-CD2 4.24Å; E77-L82 HydrophobicContact CB-CD1 4.18Å; L82-V84 HydrophobicContact CD2-CG2 4.42Å; L82-V84 HydrophobicContact CG-CG2 4.14Å
83T97.9Very high96Very high48 Ų4854.1 Ų54.129%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-94.4128.8171.3-58.40000109.7V21 L75 C76 V81 V85V21-T83 HydrophobicContact CG1-CG2 4.19Å; L75-T83 WeakPolarHBondContact CA-O 3.41Å; C76-T83 PolarHBondContact N-O 3.35Å; C76-T83 PolarHBondContact O-N 2.8Å; V81-T83 PolarHBondContact O-N 2.99Å; T83-V85 HydrophobicContact CG2-CG2 4.38Å
84V98.1Very high95.9Very high0 Ų056 Ų560%029%0.291CS..EExtended strand (participates in β ladder)trans-116.8124.6176.3-168.40000109.5V21 Q22 I24 L45 I74 L75 L82V21-V84 CarbonylContact C-O 3.59Å; V21-V84 VanDerWaalsContact CA-O 3.29Å; V21-V84 WeakPolarHBondContact CA-O 3.42Å; Q22-V84 HydrophobicContact CG-CB 3.79Å; Q22-V84 HydrophobicContact CG-CG2 4.21Å; Q22-V84 PolarHBondContact N-O 2.84Å; Q22-V84 PolarHBondContact O-N 3.41Å; I24-V84 HydrophobicContact CD1-CG2 3.68Å; L45-V84 HydrophobicContact CD1-CG1 4.25Å; L45-V84 HydrophobicContact CD1-CG2 4.28Å; I74-V84 CarbonylContact O-C 3.51Å; I74-V84 WeakPolarHBondContact O-CA 3.15Å; L75-V84 HydrophobicContact CD1-CG1 3.95Å; L75-V84 HydrophobicContact CD2-CG2 4.42Å; L75-V84 HydrophobicContact CG-CB 4.48Å; L75-V84 HydrophobicContact CG-CG1 4.01Å; L75-V84 HydrophobicContact CG-CG2 3.99Å; L82-V84 HydrophobicContact CD2-CG2 4.42Å; L82-V84 HydrophobicContact CG-CG2 4.14Å
85V97.9Very high95.7Very high26 Ų2656.6 Ų56.616%0.15830%0.295CS..EExtended strand (participates in β ladder)trans-113.2115.2175.8-176.80000108.7V12 V18 V21 S73 I74 T83 K87V12-V85 HydrophobicContact CG1-CG1 4.48Å; V12-V85 HydrophobicContact CG1-CG2 4.27Å; V18-V85 HydrophobicContact CG1-CG1 3.89Å; V18-V85 HydrophobicContact CG2-CG1 3.81Å; V21-V85 HydrophobicContact CG1-CG2 4.2Å; V21-V85 HydrophobicContact CG2-CG1 4.49Å; S73-V85 WeakPolarHBondContact CA-O 3.46Å; I74-V85 PolarHBondContact N-O 2.9Å; I74-V85 PolarHBondContact O-N 2.89Å; T83-V85 HydrophobicContact CG2-CG2 4.38Å; V85-K87 HydrophobicContact CG1-CD 4.23Å; V85-K87 HydrophobicContact CG1-CG 3.97Å
86H97.2Very high95.6Very high33 Ų3360.6 Ų60.615%0.15332%0.316CS..EExtended strand (participates in β ladder)trans-91.7132.7175.3-57-74.7000110V18 T19 A20 Q22 S73V18-H86 CarbonylContact C-O 3.55Å; V18-H86 WeakPolarHBondContact CA-O 3.21Å; T19-H86 PolarHBondContact N-O 2.85Å; T19-H86 PolarHBondContact OG1-O 2.83Å; A20-H86 HydrophobicContact CB-CB 4.34Å; A20-H86 PolarHBondContact O-N 2.8Å; Q22-H86 PolarHBondContact NE2-NE2 3.25Å; S73-H86 PolarHBondContact OG-ND1 2.69Å
87K96.4Very high95.4Very high63 Ų6361.8 Ų61.827%0.27432%0.317SS..EExtended strand (participates in β ladder)trans-135.6147.8-175.6-61.8176.668-178.30111.9K17 V18 K71 S72 I74 V85K17-K87 CarbonylContact O-C 3.39Å; K17-K87 WeakPolarHBondContact O-CA 3.47Å; V18-K87 HydrophobicContact CG2-CD 4.42Å; V18-K87 HydrophobicContact CG2-CG 3.99Å; K71-K87 CarbonylContact C-O 3.49Å; K71-K87 WeakPolarHBondContact CA-O 3.39Å; S72-K87 PolarHBondContact N-O 2.82Å; S72-K87 PolarHBondContact O-N 3.08Å; I74-K87 HydrophobicContact CD1-CD 3.83Å; V85-K87 HydrophobicContact CG1-CD 4.23Å; V85-K87 HydrophobicContact CG1-CG 3.97Å
88N94.8Very high95.3Very high74 Ų7463.4 Ų63.440%0.39633%0.326SS..EExtended strand (participates in β ladder)trans-85.3138.8156.9-63-23.2000108.3K17 T19 S70K17-N88 PolarHBondContact O-N 3.46Å; T19-N88 WeakPolarHBondContact CG2-ND2 3.45Å; S70-N88 CarbonylContact O-C 3.59Å; S70-N88 WeakPolarHBondContact O-CA 3.32Å
89Q82.1Confident95.3Very high122 Ų12262.1 Ų62.157%0.5731%0.313SS*.  trans-770178-66.4-162.4-23.200111.8K17 E67 S70K17-Q89 PolarHBondContact NZ-OXT 3.35Å; E67-Q89 PolarHBondContact OE1-NE2 3.27Å; S70-Q89 PolarHBondContact O-N 2.94Å

Retrieved 89 of 89 residues in 64.5 ms (Link to these results)