A0A023IP88_HUMAN Loading...

Integrin a4 subunit

AlphaFold DB , UniProt , Accession A0A023IP88, Species HUMAN (Homo sapiens, Human), Gene ITGA4, Length 55 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
1D71.6Confident87.1Confident149 Ų149103.6 Ų103.680%0.79752%0.518SS*.  073.40-152.6-10.5000110.3K4D1-K4 HydrophobicContact CB-CB 4.34Å; D1-K4 VanDerWaalsContact CG-CB 3.43Å; D1-K4 WeakPolarHBondContact OD1-CB 3.25Å; D1-K4 WeakPolarHBondContact OD2-CD 3.37Å
2Y80.2Confident87.7Confident180 Ų18095.8 Ų95.871%0.70648%0.481SS*.Hα-helixtrans-77.7-42.7-174.4168.9-96.5000111.7K4 K5 F6Y2-K4 VanDerWaalsContact C-N 3.27Å; Y2-K4 PolarHBondContact O-N 2.82Å; Y2-K5 PolarHBondContact O-N 3.25Å; Y2-F6 PolarHBondContact O-N 2.91Å
3V82.3Confident88.1Confident115 Ų11590.5 Ų90.570%0.69746%0.457SS*.Hα-helixtrans-60.4-39.9179.5-1780000110.8F6 G7V3-F6 WeakPolarHBondContact O-CB 3.17Å; V3-F6 PolarHBondContact O-N 2.84Å; V3-G7 PolarHBondContact O-N 2.88Å
4K83.8Confident88.7Confident111 Ų11191.4 Ų91.448%0.48346%0.459SS..Hα-helixtrans-63.3-45.6177.4-167.3173.7-177.7178.90112.2D1 Y2 F6 G7 E8 Y35D1-K4 HydrophobicContact CB-CB 4.34Å; D1-K4 VanDerWaalsContact CG-CB 3.43Å; D1-K4 WeakPolarHBondContact OD1-CB 3.25Å; D1-K4 WeakPolarHBondContact OD2-CD 3.37Å; Y2-K4 VanDerWaalsContact C-N 3.27Å; Y2-K4 PolarHBondContact O-N 2.82Å; K4-F6 VanDerWaalsContact C-N 3.31Å; K4-F6 PolarHBondContact O-N 3.04Å; K4-G7 PolarHBondContact O-N 2.86Å; K4-E8 WeakPolarHBondContact O-CG 3.24Å; K4-E8 PolarHBondContact O-N 3.14Å; K4-Y35 HydrophobicContact CG-CE1 4.44Å; K4-Y35 WeakPolarHBondContact CG-OH 3.38Å; K4-Y35 VanDerWaalsContact O-CE1 3.22Å; K4-Y35 WeakPolarHBondContact O-CE1 3.28Å; K4-Y35 PolarHBondContact O-OH 3.27Å
5K90.9Very high89.2Confident147 Ų14788.5 Ų88.564%0.63946%0.455SS*.Hα-helixtrans-67.3-30.4176.8-71.4-172.8175.8-172.10113.3Y2 G7 E8Y2-K5 PolarHBondContact O-N 3.25Å; K5-G7 VanDerWaalsContact C-N 3.3Å; K5-G7 PolarHBondContact O-N 2.82Å; K5-E8 PolarHBondContact O-N 2.9Å
6F90.8Very high89.6Confident100 Ų10085.4 Ų85.444%0.43945%0.451SS..Hα-helixtrans-59-44.2178.1-176.8-95.8000111.2Y2 V3 K4 A11 S12 W36Y2-F6 PolarHBondContact O-N 2.91Å; V3-F6 WeakPolarHBondContact O-CB 3.17Å; V3-F6 PolarHBondContact O-N 2.84Å; K4-F6 VanDerWaalsContact C-N 3.31Å; K4-F6 PolarHBondContact O-N 3.04Å; F6-A11 WeakPolarHBondContact O-CB 3.43Å; F6-S12 WeakPolarHBondContact O-CB 3.22Å; F6-S12 PolarHBondContact O-N 2.85Å; F6-S12 PolarHBondContact O-OG 2.81Å; F6-W36 HydrophobicContact CE1-CH2 4.09Å; F6-W36 HydrophobicContact CE1-CZ2 4.42Å
7G89.1Confident90Very high5 Ų587.5 Ų87.55%0.05246%0.461CS..THydrogen-bonded Turntrans-85.2-4.6179.900000115.8V3 K4 K5 S34 Y35V3-G7 PolarHBondContact O-N 2.88Å; K4-G7 PolarHBondContact O-N 2.86Å; K5-G7 VanDerWaalsContact C-N 3.3Å; K5-G7 PolarHBondContact O-N 2.82Å; G7-S34 CarbonylContact O-C 3.55Å; G7-S34 WeakPolarHBondContact O-CA 3.41Å; G7-Y35 PolarHBondContact O-N 3.12Å
8E92.4Very high90.4Very high72 Ų7286.4 Ų86.434%0.33646%0.462SS..SBendtrans-71.2136.1-176.1-82.6172.9179.500112.3K4 K5 F10 A11 Y35K4-E8 WeakPolarHBondContact O-CG 3.24Å; K4-E8 PolarHBondContact O-N 3.14Å; K5-E8 PolarHBondContact O-N 2.9Å; E8-F10 PolarHBondContact O-N 2.96Å; E8-A11 WeakPolarHBondContact O-CB 3.36Å; E8-A11 PolarHBondContact O-N 3.22Å; E8-Y35 HydrophobicContact CG-CE2 4.37Å; E8-Y35 WeakPolarHBondContact CG-OH 3.4Å
9N91.3Very high90.7Very high113 Ų11386.7 Ų86.760%0.60447%0.472SS*.THydrogen-bonded Turntrans52.3-107.2174.9-56-52.8000112.3S33 S34N9-S33 CarbonylContact O-C 3.52Å; N9-S33 WeakPolarHBondContact O-CA 3.37Å; N9-S34 PolarHBondContact O-N 3.4Å
10F92.5Very high91Very high72 Ų7289.3 Ų89.332%0.31648%0.478SS..THydrogen-bonded Turntrans-119.412.8-178.7-54.6-65.6000112.9E8 S12 C13 S33 F41 A52 L54E8-F10 PolarHBondContact O-N 2.96Å; F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 2.8Å; F10-C13 HydrophobicContact CB-CB 3.96Å; F10-C13 HydrophobicContact CD1-CB 4.35Å; F10-C13 VanDerWaalsContact O-CB 3.28Å; F10-C13 WeakPolarHBondContact O-CB 3.45Å; F10-C13 PolarHBondContact O-N 2.76Å; F10-C13 VanDerWaalsContact O-N 3.11Å; F10-C13 PolarHBondContact O-SG 2.95Å; F10-S33 WeakPolarHBondContact CD1-OG 3.22Å; F10-F41 HydrophobicContact CD1-CE2 4.17Å; F10-F41 AromaticContact CD1-CZ 3.6Å; F10-F41 HydrophobicContact CD1-CZ 3.6Å; F10-F41 HydrophobicContact CE1-CE2 4.39Å; F10-F41 AromaticContact CE1-CZ 3.83Å; F10-F41 HydrophobicContact CE1-CZ 3.83Å; F10-F41 AromaticContact CG-CZ 3.99Å; F10-F41 HydrophobicContact CG-CZ 3.99Å; F10-F41 HydrophobicContact CZ-CZ 4.41Å; F10-A52 HydrophobicContact CE1-CB 4.22Å; F10-A52 HydrophobicContact CE2-CB 4.38Å; F10-A52 HydrophobicContact CZ-CB 3.7Å; F10-L54 HydrophobicContact CE1-CD2 3.64Å; F10-L54 HydrophobicContact CZ-CD1 4.25Å; F10-L54 HydrophobicContact CZ-CD2 3.67Å; F10-L54 HydrophobicContact CZ-CG 4.15Å
11A93Very high91.3Very high76 Ų7692.4 Ų92.463%0.62848%0.484SS*.THydrogen-bonded Turntrans-58.9-39.2-172.200000112.8F6 E8F6-A11 WeakPolarHBondContact O-CB 3.43Å; E8-A11 WeakPolarHBondContact O-CB 3.36Å; E8-A11 PolarHBondContact O-N 3.22Å
12S94.1Very high92.5Very high10 Ų1087.5 Ų87.57%0.0746%0.46CS..THydrogen-bonded Turntrans-110.925.5174.957.40000113.2F6 F10 Q14 G32 W36F6-S12 WeakPolarHBondContact O-CB 3.22Å; F6-S12 PolarHBondContact O-N 2.85Å; F6-S12 PolarHBondContact O-OG 2.81Å; F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 2.8Å; S12-Q14 WeakPolarHBondContact O-CG 3.2Å; S12-Q14 PolarHBondContact O-N 2.89Å; S12-G32 CarbonylContact C-O 3.52Å; S12-G32 WeakPolarHBondContact O-CA 3.36Å; S12-G32 PolarHBondContact OG-O 3.19Å; S12-W36 WeakPolarHBondContact O-CH2 3.39Å; S12-W36 WeakPolarHBondContact O-CZ3 2.99Å; S12-W36 WeakPolarHBondContact OG-CZ3 3.07Å
13C93.6Very high93.2Very high26 Ų2687.7 Ų87.718%0.17646%0.464CS..  trans-56.7-23.9-165.463.70000116.8F10 A15 A30 G32 S33F10-C13 HydrophobicContact CB-CB 3.96Å; F10-C13 HydrophobicContact CD1-CB 4.35Å; F10-C13 VanDerWaalsContact O-CB 3.28Å; F10-C13 WeakPolarHBondContact O-CB 3.45Å; F10-C13 PolarHBondContact O-N 2.76Å; F10-C13 VanDerWaalsContact O-N 3.11Å; F10-C13 PolarHBondContact O-SG 2.95Å; C13-A15 PolarHBondContact O-N 2.85Å; C13-A30 HydrophobicContact CB-CB 4.12Å; C13-A30 CarbonylContact O-C 3.53Å; C13-A30 VanDerWaalsContact O-C 3.24Å; C13-A30 VanDerWaalsContact O-CA 3.22Å; C13-A30 WeakPolarHBondContact O-CA 3.42Å; C13-A30 WeakPolarHBondContact O-CB 3.45Å; C13-G32 VanDerWaalsContact CA-C 3.44Å; C13-G32 VanDerWaalsContact O-CA 3.25Å; C13-G32 WeakPolarHBondContact O-CA 3.32Å; C13-G32 PolarHBondContact O-N 2.89Å; C13-S33 WeakPolarHBondContact CB-OG 3.36Å
14Q96.1Very high93.8Very high104 Ų10485.8 Ų85.849%0.48645%0.45SS..  trans51.439.9-179.3-64.7168.4110.800112.3S12 G16S12-Q14 WeakPolarHBondContact O-CG 3.2Å; S12-Q14 PolarHBondContact O-N 2.89Å; Q14-G16 PolarHBondContact O-N 2.88Å
15A96.1Very high94.5Very high48 Ų4883.4 Ų83.440%0.39744%0.442SS..THydrogen-bonded Turntrans-59.1135.4178.400000110.9C13 G29 A30 F41C13-A15 PolarHBondContact O-N 2.85Å; A15-G29 WeakPolarHBondContact CA-O 3.5Å; A15-A30 HydrophobicContact CB-CB 3.98Å; A15-F41 HydrophobicContact CB-CD2 4.1Å; A15-F41 HydrophobicContact CB-CE2 4.24Å
16G95.8Very high94.8Very high38 Ų3878.4 Ų78.439%0.39242%0.422SS..THydrogen-bonded Turntrans97.82.4177.500000115Q14 S18 G29Q14-G16 PolarHBondContact O-N 2.88Å; G16-S18 PolarHBondContact O-N 3.29Å; G16-G29 PolarHBondContact N-O 3.39Å
17I96.5Very high95.1Very high122 Ų12275.4 Ų75.463%0.62641%0.412SS*.SBendtrans-57.2-30.3169.7-162.9171.6000112.2P31I17-P31 HydrophobicContact CD1-CG 4.28Å; I17-P31 VanDerWaalsContact CG2-CD 3.42Å; I17-P31 HydrophobicContact CG2-CG 3.79Å
18S96.4Very high95.5Very high68 Ų6877.8 Ų77.848%0.47642%0.423SS..EExtended strand (participates in β ladder)trans-135.2145.5169.256.20000108.4G16 M28 G29G16-S18 PolarHBondContact O-N 3.29Å; S18-M28 WeakPolarHBondContact O-CA 3.39Å; S18-G29 PolarHBondContact O-N 3.45Å
19S96.7Very high95.8Very high92 Ų9274.8 Ų74.864%0.64341%0.411SS*.EExtended strand (participates in β ladder)trans-145.9151.8179.162.20000111.6V27S19-V27 CarbonylContact C-O 3.49Å; S19-V27 WeakPolarHBondContact CA-O 3.33Å
20F97.8Very high96Very high138 Ų13869.5 Ų69.561%0.60538%0.383SS*.EExtended strand (participates in β ladder)trans-138.5126.6172.4-170.1-104.7000109.7T22 V27F20-T22 HydrophobicContact CD1-CG2 3.65Å; F20-T22 HydrophobicContact CE1-CG2 3.56Å; F20-V27 HydrophobicContact CB-CB 4.33Å; F20-V27 PolarHBondContact N-O 2.87Å; F20-V27 PolarHBondContact O-N 2.74Å
21Y97.3Very high96.2Very high154 Ų15468.7 Ų68.760%0.60439%0.385SS*.EExtended strand (participates in β ladder)trans-103.2122.3-177.3-161.5-73.7000109.6I26 I45Y21-I26 HydrophobicContact CD2-CD1 4.05Å; Y21-I26 HydrophobicContact CD2-CG1 3.75Å; Y21-I26 HydrophobicContact CE2-CD1 3.67Å; Y21-I26 HydrophobicContact CE2-CG1 3.67Å; Y21-I45 HydrophobicContact CE1-CD1 4.07Å; Y21-I45 HydrophobicContact CE2-CD1 4.18Å; Y21-I45 VanDerWaalsContact OH-CD1 3.25Å; Y21-I45 WeakPolarHBondContact OH-CD1 3.29Å
22T95.7Very high96.3Very high46 Ų4665 Ų6528%0.28236%0.355SS..  trans-112.6178.117370.90000109.6F20 D24 L25F20-T22 HydrophobicContact CD1-CG2 3.65Å; F20-T22 HydrophobicContact CE1-CG2 3.56Å; T22-D24 VanDerWaalsContact C-N 3.29Å; T22-D24 PolarHBondContact O-N 3.44Å; T22-L25 PolarHBondContact N-O 2.56Å; T22-L25 WeakPolarHBondContact OG1-CA 3.34Å; T22-L25 VanDerWaalsContact OG1-CB 3.24Å; T22-L25 WeakPolarHBondContact OG1-CB 3.3Å; T22-L25 PolarHBondContact OG1-N 3.01Å; T22-L25 PolarHBondContact OG1-O 2.97Å
23K94.8Very high96.3Very high185 Ų18564.6 Ų64.680%0.80435%0.351SS*.SBendtrans-52.9-45.5-178.6-169.9-179.8176.6-178.30113.3
24D96.1Very high96.3Very high75 Ų7565 Ų6540%0.40136%0.355SS..SBendtrans-122-5.1-171.8-54.7-45.3000113.2T22 N44 I45T22-D24 VanDerWaalsContact C-N 3.29Å; T22-D24 PolarHBondContact O-N 3.44Å; D24-N44 WeakPolarHBondContact O-CA 3.26Å; D24-I45 PolarHBondContact O-N 2.69Å
25L97.3Very high96.2Very high60 Ų6065.8 Ų65.831%0.31435%0.354SS..EExtended strand (participates in β ladder)trans-131.5140.3-174.6-48.7170.3000112T22 V42 Y43 N44T22-L25 PolarHBondContact N-O 2.56Å; T22-L25 WeakPolarHBondContact OG1-CA 3.34Å; T22-L25 VanDerWaalsContact OG1-CB 3.24Å; T22-L25 WeakPolarHBondContact OG1-CB 3.3Å; T22-L25 PolarHBondContact OG1-N 3.01Å; T22-L25 PolarHBondContact OG1-O 2.97Å; L25-V42 HydrophobicContact CB-CG1 4.11Å; L25-V42 HydrophobicContact CD1-CG1 4.09Å; L25-V42 HydrophobicContact CD2-CG1 3.97Å; L25-V42 HydrophobicContact CG-CG1 4.29Å; L25-Y43 CarbonylContact C-O 3.48Å; L25-Y43 VanDerWaalsContact CA-O 3.22Å; L25-Y43 WeakPolarHBondContact CA-O 3.39Å; L25-N44 HydrophobicContact CD2-CB 3.84Å
26I97.8Very high96.1Very high43 Ų4370 Ų7022%0.22136%0.36CS..EExtended strand (participates in β ladder)trans-106.9119.4163.6-52.9-179.7000107.6Y21 M28 V42 Y43 I45Y21-I26 HydrophobicContact CD2-CD1 4.05Å; Y21-I26 HydrophobicContact CD2-CG1 3.75Å; Y21-I26 HydrophobicContact CE2-CD1 3.67Å; Y21-I26 HydrophobicContact CE2-CG1 3.67Å; I26-M28 HydrophobicContact CG2-CG 4.17Å; I26-V42 WeakPolarHBondContact O-CA 3.22Å; I26-Y43 HydrophobicContact CB-CD1 4.23Å; I26-Y43 HydrophobicContact CD1-CD1 3.86Å; I26-Y43 HydrophobicContact CD1-CE1 4.28Å; I26-Y43 HydrophobicContact CG1-CD1 4.04Å; I26-Y43 PolarHBondContact N-O 2.92Å; I26-Y43 PolarHBondContact O-N 2.91Å; I26-I45 HydrophobicContact CD1-CD1 4.49Å; I26-I45 HydrophobicContact CD1-CG1 4.43Å; I26-I45 HydrophobicContact CG1-CD1 4.03Å; I26-I45 HydrophobicContact CG1-CG1 4.12Å
27V97.3Very high96Very high37 Ų3772.7 Ų72.722%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-98.6132.1174.4-173.90000108.3S19 F20 L40 F41 V42S19-V27 CarbonylContact C-O 3.49Å; S19-V27 WeakPolarHBondContact CA-O 3.33Å; F20-V27 HydrophobicContact CB-CB 4.33Å; F20-V27 PolarHBondContact N-O 2.87Å; F20-V27 PolarHBondContact O-N 2.74Å; V27-L40 HydrophobicContact CG1-CD2 3.69Å; V27-F41 CarbonylContact C-O 3.6Å; V27-F41 WeakPolarHBondContact CA-O 3.37Å; V27-V42 HydrophobicContact CG2-CG2 4.4Å
28M97.8Very high95.9Very high55 Ų5567.6 Ų67.627%0.27135%0.346SS..EExtended strand (participates in β ladder)trans-129.4127.3178.1-68.4176.5-72.800109.9S18 I26 F41S18-M28 WeakPolarHBondContact O-CA 3.39Å; I26-M28 HydrophobicContact CG2-CG 4.17Å; M28-F41 HydrophobicContact CB-CB 4.28Å; M28-F41 HydrophobicContact CE-CB 4.24Å; M28-F41 PolarHBondContact N-O 3.27Å; M28-F41 PolarHBondContact O-N 3.33Å
29G97Very high95.9Very high9 Ų965 Ų659%0.09333%0.328CS..EExtended strand (participates in β ladder)trans-76.1138.2169.300000110.5A15 G16 S18A15-G29 WeakPolarHBondContact CA-O 3.5Å; G16-G29 PolarHBondContact N-O 3.39Å; S18-G29 PolarHBondContact O-N 3.45Å
30A97.2Very high95.9Very high1 Ų164.8 Ų64.81%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-132.178.4176.400000108.8C13 A15 G32 S33 G38 S39 F41C13-A30 HydrophobicContact CB-CB 4.12Å; C13-A30 CarbonylContact O-C 3.53Å; C13-A30 VanDerWaalsContact O-C 3.24Å; C13-A30 VanDerWaalsContact O-CA 3.22Å; C13-A30 WeakPolarHBondContact O-CA 3.42Å; C13-A30 WeakPolarHBondContact O-CB 3.45Å; A15-A30 HydrophobicContact CB-CB 3.98Å; A30-G32 PolarHBondContact O-N 3.17Å; A30-G32 VanDerWaalsContact O-N 3.09Å; A30-S33 PolarHBondContact O-N 3.31Å; A30-S33 PolarHBondContact O-OG 3.09Å; A30-G38 CarbonylContact O-C 3.51Å; A30-G38 WeakPolarHBondContact O-CA 3.47Å; A30-S39 PolarHBondContact N-O 2.84Å; A30-S39 PolarHBondContact O-N 3.11Å; A30-F41 HydrophobicContact CB-CD2 3.61Å; A30-F41 HydrophobicContact CB-CE2 3.44Å; A30-F41 VanDerWaalsContact CB-CE2 3.44Å
31P96.1Very high95.9Very high55 Ų5559.2 Ų59.236%0.35730%0.295SS..THydrogen-bonded Turntrans-63.4-18.8-178.330.1-37.8000111.2I17 S33 W36I17-P31 HydrophobicContact CD1-CG 4.28Å; I17-P31 VanDerWaalsContact CG2-CD 3.42Å; I17-P31 HydrophobicContact CG2-CG 3.79Å; P31-S33 PolarHBondContact O-N 2.96Å; P31-W36 WeakPolarHBondContact O-CA 3.25Å
32G94.7Very high95.9Very high0 Ų053.3 Ų53.30%028%0.275CS..THydrogen-bonded Turntrans-81.4-0.9-173.500000115.7S12 C13 A30 W36S12-G32 CarbonylContact C-O 3.52Å; S12-G32 WeakPolarHBondContact O-CA 3.36Å; S12-G32 PolarHBondContact OG-O 3.19Å; C13-G32 VanDerWaalsContact CA-C 3.44Å; C13-G32 VanDerWaalsContact O-CA 3.25Å; C13-G32 WeakPolarHBondContact O-CA 3.32Å; C13-G32 PolarHBondContact O-N 2.89Å; A30-G32 PolarHBondContact O-N 3.17Å; A30-G32 VanDerWaalsContact O-N 3.09Å; G32-W36 WeakPolarHBondContact O-CZ3 3.14Å
33S94.2Very high96Very high0 Ų054.1 Ų54.10%027%0.273CS..SBendtrans-75.6142.4-174.2-55.90000110.5N9 F10 C13 A30 P31 W36 T37 G38 S39N9-S33 CarbonylContact O-C 3.52Å; N9-S33 WeakPolarHBondContact O-CA 3.37Å; F10-S33 WeakPolarHBondContact CD1-OG 3.22Å; C13-S33 WeakPolarHBondContact CB-OG 3.36Å; A30-S33 PolarHBondContact O-N 3.31Å; A30-S33 PolarHBondContact O-OG 3.09Å; P31-S33 PolarHBondContact O-N 2.96Å; S33-W36 PolarHBondContact O-N 3.2Å; S33-T37 PolarHBondContact O-N 2.81Å; S33-G38 PolarHBondContact O-N 3Å; S33-S39 VanDerWaalsContact CB-OG 3.3Å; S33-S39 WeakPolarHBondContact CB-OG 3.21Å; S33-S39 PolarHBondContact OG-OG 3.28Å
34S93.6Very high96.1Very high35 Ų3547.6 Ų47.625%0.24525%0.247CC..THydrogen-bonded Turntrans46.969.6172.6-61.90000113.4G7 N9 W36 T37G7-S34 CarbonylContact O-C 3.55Å; G7-S34 WeakPolarHBondContact O-CA 3.41Å; N9-S34 PolarHBondContact O-N 3.4Å; S34-W36 VanDerWaalsContact C-N 3.25Å; S34-W36 PolarHBondContact O-N 2.93Å; S34-T37 WeakPolarHBondContact O-CB 3.42Å; S34-T37 PolarHBondContact O-N 2.77Å; S34-T37 VanDerWaalsContact O-N 3.12Å; S34-T37 PolarHBondContact O-OG1 3.34Å
35Y93.3Very high96.1Very high120 Ų12046.7 Ų46.747%0.47124%0.242SC..THydrogen-bonded Turntrans53.941-179.5-55.2-74.3000113.9K4 G7 E8 T37K4-Y35 HydrophobicContact CG-CE1 4.44Å; K4-Y35 WeakPolarHBondContact CG-OH 3.38Å; K4-Y35 VanDerWaalsContact O-CE1 3.22Å; K4-Y35 WeakPolarHBondContact O-CE1 3.28Å; K4-Y35 PolarHBondContact O-OH 3.27Å; G7-Y35 PolarHBondContact O-N 3.12Å; E8-Y35 HydrophobicContact CG-CE2 4.37Å; E8-Y35 WeakPolarHBondContact CG-OH 3.4Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.07Å
36W94.3Very high96Very high138 Ų13849.2 Ų49.252%0.52326%0.26SS..THydrogen-bonded Turntrans67.917.8-179.9-56.3167.5000115F6 S12 P31 G32 S33 S34 G38F6-W36 HydrophobicContact CE1-CH2 4.09Å; F6-W36 HydrophobicContact CE1-CZ2 4.42Å; S12-W36 WeakPolarHBondContact O-CH2 3.39Å; S12-W36 WeakPolarHBondContact O-CZ3 2.99Å; S12-W36 WeakPolarHBondContact OG-CZ3 3.07Å; P31-W36 WeakPolarHBondContact O-CA 3.25Å; G32-W36 WeakPolarHBondContact O-CZ3 3.14Å; S33-W36 PolarHBondContact O-N 3.2Å; S34-W36 VanDerWaalsContact C-N 3.25Å; S34-W36 PolarHBondContact O-N 2.93Å; W36-G38 PolarHBondContact O-N 3.23Å
37T95.3Very high96Very high93 Ų9351 Ų5157%0.57127%0.273SS*.THydrogen-bonded Turntrans-60.7-35.5166-59.30000111S33 S34 Y35S33-T37 PolarHBondContact O-N 2.81Å; S34-T37 WeakPolarHBondContact O-CB 3.42Å; S34-T37 PolarHBondContact O-N 2.77Å; S34-T37 VanDerWaalsContact O-N 3.12Å; S34-T37 PolarHBondContact O-OG1 3.34Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.07Å
38G94.4Very high95.9Very high15 Ų1554.8 Ų54.816%0.15529%0.292CS..  trans89.316117900000113.8A30 S33 W36A30-G38 CarbonylContact O-C 3.51Å; A30-G38 WeakPolarHBondContact O-CA 3.47Å; S33-G38 PolarHBondContact O-N 3Å; W36-G38 PolarHBondContact O-N 3.23Å
39S96.2Very high95.8Very high15 Ų1559.1 Ų59.111%0.10531%0.309CS..EExtended strand (participates in β ladder)trans-157.4168.817872.80000111.4A30 S33 F53A30-S39 PolarHBondContact N-O 2.84Å; A30-S39 PolarHBondContact O-N 3.11Å; S33-S39 VanDerWaalsContact CB-OG 3.3Å; S33-S39 WeakPolarHBondContact CB-OG 3.21Å; S33-S39 PolarHBondContact OG-OG 3.28Å; S39-F53 WeakPolarHBondContact CA-O 3.37Å; S39-F53 VanDerWaalsContact CB-O 3.26Å; S39-F53 WeakPolarHBondContact CB-O 3.21Å
40L96.5Very high95.7Very high87 Ų8766.6 Ų66.646%0.45534%0.336SS..EExtended strand (participates in β ladder)trans-116.2135.2171.9-81.1157.1000110.6V27 A52 F53V27-L40 HydrophobicContact CG1-CD2 3.69Å; L40-A52 CarbonylContact O-C 3.24Å; L40-A52 WeakPolarHBondContact O-CA 3.38Å; L40-F53 HydrophobicContact CB-CB 4.21Å; L40-F53 PolarHBondContact N-O 3.2Å; L40-F53 PolarHBondContact O-N 3.35Å
41F96.8Very high95.6Very high20 Ų2072.7 Ų72.79%0.08836%0.362CS..EExtended strand (participates in β ladder)trans-105.6130.1169-71.2-90.9000109.4F10 A15 V27 M28 A30 Y50 K51 A52F10-F41 HydrophobicContact CD1-CE2 4.17Å; F10-F41 AromaticContact CD1-CZ 3.6Å; F10-F41 HydrophobicContact CD1-CZ 3.6Å; F10-F41 HydrophobicContact CE1-CE2 4.39Å; F10-F41 AromaticContact CE1-CZ 3.83Å; F10-F41 HydrophobicContact CE1-CZ 3.83Å; F10-F41 AromaticContact CG-CZ 3.99Å; F10-F41 HydrophobicContact CG-CZ 3.99Å; F10-F41 HydrophobicContact CZ-CZ 4.41Å; A15-F41 HydrophobicContact CB-CD2 4.1Å; A15-F41 HydrophobicContact CB-CE2 4.24Å; V27-F41 CarbonylContact C-O 3.6Å; V27-F41 WeakPolarHBondContact CA-O 3.37Å; M28-F41 HydrophobicContact CB-CB 4.28Å; M28-F41 HydrophobicContact CE-CB 4.24Å; M28-F41 PolarHBondContact N-O 3.27Å; M28-F41 PolarHBondContact O-N 3.33Å; A30-F41 HydrophobicContact CB-CD2 3.61Å; A30-F41 HydrophobicContact CB-CE2 3.44Å; A30-F41 VanDerWaalsContact CB-CE2 3.44Å; F41-Y50 AromaticContact CD1-CD2 3.94Å; F41-Y50 HydrophobicContact CD1-CD2 3.94Å; F41-Y50 HydrophobicContact CD1-CE2 4.3Å; F41-Y50 HydrophobicContact CE1-CD2 4.33Å; F41-Y50 HydrophobicContact CE1-CE2 4.23Å; F41-K51 WeakPolarHBondContact CA-O 3.43Å; F41-A52 HydrophobicContact CD1-CB 3.97Å; F41-A52 HydrophobicContact CE1-CB 3.69Å; F41-A52 HydrophobicContact CZ-CB 4.24Å
42V97.4Very high95.5Very high31 Ų3171.5 Ų71.519%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-118.4113.7174.7-1780000108.1L25 I26 V27 Y50 K51 F53L25-V42 HydrophobicContact CB-CG1 4.11Å; L25-V42 HydrophobicContact CD1-CG1 4.09Å; L25-V42 HydrophobicContact CD2-CG1 3.97Å; L25-V42 HydrophobicContact CG-CG1 4.29Å; I26-V42 WeakPolarHBondContact O-CA 3.22Å; V27-V42 HydrophobicContact CG2-CG2 4.4Å; V42-Y50 CarbonylContact O-C 3.51Å; V42-Y50 WeakPolarHBondContact O-CA 3.19Å; V42-K51 PolarHBondContact N-O 2.94Å; V42-K51 PolarHBondContact O-N 2.88Å; V42-F53 HydrophobicContact CB-CD2 4.46Å; V42-F53 HydrophobicContact CB-CE2 3.92Å; V42-F53 HydrophobicContact CG2-CD2 3.79Å; V42-F53 HydrophobicContact CG2-CE2 3.52Å
43Y97.7Very high95.3Very high62 Ų6276.2 Ų76.224%0.24338%0.377CS..EExtended strand (participates in β ladder)trans-100.6120176.6170.8-98.7000109.9L25 I26 I45 N48 K49L25-Y43 CarbonylContact C-O 3.48Å; L25-Y43 VanDerWaalsContact CA-O 3.22Å; L25-Y43 WeakPolarHBondContact CA-O 3.39Å; I26-Y43 HydrophobicContact CB-CD1 4.23Å; I26-Y43 HydrophobicContact CD1-CD1 3.86Å; I26-Y43 HydrophobicContact CD1-CE1 4.28Å; I26-Y43 HydrophobicContact CG1-CD1 4.04Å; I26-Y43 PolarHBondContact N-O 2.92Å; I26-Y43 PolarHBondContact O-N 2.91Å; Y43-I45 HydrophobicContact CD1-CG1 4.06Å; Y43-I45 HydrophobicContact CE1-CB 4.35Å; Y43-I45 HydrophobicContact CE1-CG1 3.91Å; Y43-N48 VanDerWaalsContact CE2-OD1 3.29Å; Y43-N48 WeakPolarHBondContact CE2-OD1 3.12Å; Y43-N48 PolarHBondContact OH-OD1 3.01Å; Y43-K49 CarbonylContact C-O 3.54Å
44N96.9Very high94.9Very high48 Ų4881.2 Ų81.226%0.25740%0.404SS..EExtended strand (participates in β ladder)trans-88.8117.7174.7-179.1-59.6000109.7D24 L25 T46 T47 N48 K49D24-N44 WeakPolarHBondContact O-CA 3.26Å; L25-N44 HydrophobicContact CD2-CB 3.84Å; N44-T46 PolarHBondContact OD1-N 3.45Å; N44-T46 VanDerWaalsContact OD1-N 3.14Å; N44-T47 WeakPolarHBondContact CB-OG1 3.32Å; N44-T47 PolarHBondContact OD1-N 3.44Å; N44-T47 PolarHBondContact OD1-OG1 3.47Å; N44-N48 WeakPolarHBondContact O-CA 3.4Å; N44-N48 PolarHBondContact O-N 3.45Å; N44-K49 PolarHBondContact N-O 3.47Å; N44-K49 PolarHBondContact O-N 3.32Å
45I96.5Very high93.6Very high57 Ų5789.2 Ų89.229%0.29244%0.444SS..THydrogen-bonded Turntrans-70.5-40-172.6-56.6168.5000110.6Y21 D24 I26 Y43Y21-I45 HydrophobicContact CE1-CD1 4.07Å; Y21-I45 HydrophobicContact CE2-CD1 4.18Å; Y21-I45 VanDerWaalsContact OH-CD1 3.25Å; Y21-I45 WeakPolarHBondContact OH-CD1 3.29Å; D24-I45 PolarHBondContact O-N 2.69Å; I26-I45 HydrophobicContact CD1-CD1 4.49Å; I26-I45 HydrophobicContact CD1-CG1 4.43Å; I26-I45 HydrophobicContact CG1-CD1 4.03Å; I26-I45 HydrophobicContact CG1-CG1 4.12Å; Y43-I45 HydrophobicContact CD1-CG1 4.06Å; Y43-I45 HydrophobicContact CE1-CB 4.35Å; Y43-I45 HydrophobicContact CE1-CG1 3.91Å
46T95.9Very high93.6Very high112 Ų11287.7 Ų87.769%0.68744%0.442SS*.THydrogen-bonded Turntrans-66.4-40.9-177.9-43.20000112.4N44N44-T46 PolarHBondContact OD1-N 3.45Å; N44-T46 VanDerWaalsContact OD1-N 3.14Å
47T96.9Very high93.6Very high80 Ų8085.1 Ų85.149%0.49144%0.438SS..THydrogen-bonded Turntrans-95.6-6.9-17760.80000113.1N44 K49N44-T47 WeakPolarHBondContact CB-OG1 3.32Å; N44-T47 PolarHBondContact OD1-N 3.44Å; N44-T47 PolarHBondContact OD1-OG1 3.47Å; T47-K49 PolarHBondContact O-N 3.32Å
48N95.1Very high93.5Very high117 Ų11784.6 Ų84.663%0.62643%0.431SS*.THydrogen-bonded Turntrans52.438.6-174.3-164.123.4000112.9Y43 N44Y43-N48 VanDerWaalsContact CE2-OD1 3.29Å; Y43-N48 WeakPolarHBondContact CE2-OD1 3.12Å; Y43-N48 PolarHBondContact OH-OD1 3.01Å; N44-N48 WeakPolarHBondContact O-CA 3.4Å; N44-N48 PolarHBondContact O-N 3.45Å
49K96.5Very high93.4Very high147 Ų14788.7 Ų88.764%0.63945%0.447SS*.EExtended strand (participates in β ladder)trans-122.4143.2-178.9-69.8-172.6-177.5-1760110.6Y43 N44 T47Y43-K49 CarbonylContact C-O 3.54Å; N44-K49 PolarHBondContact N-O 3.47Å; N44-K49 PolarHBondContact O-N 3.32Å; T47-K49 PolarHBondContact O-N 3.32Å
50Y94Very high93.3Very high165 Ų16593.3 Ų93.365%0.64747%0.469SS*.EExtended strand (participates in β ladder)trans-112.2155.2169.771.5-90000111.9F41 V42F41-Y50 AromaticContact CD1-CD2 3.94Å; F41-Y50 HydrophobicContact CD1-CD2 3.94Å; F41-Y50 HydrophobicContact CD1-CE2 4.3Å; F41-Y50 HydrophobicContact CE1-CD2 4.33Å; F41-Y50 HydrophobicContact CE1-CE2 4.23Å; V42-Y50 CarbonylContact O-C 3.51Å; V42-Y50 WeakPolarHBondContact O-CA 3.19Å
51K95.1Very high93Very high130 Ų13093.7 Ų93.757%0.56547%0.469SS*.EExtended strand (participates in β ladder)trans-131.6132.9171.2-175.3175.3179.2-177.60109.3F41 V42 F53F41-K51 WeakPolarHBondContact CA-O 3.43Å; V42-K51 PolarHBondContact N-O 2.94Å; V42-K51 PolarHBondContact O-N 2.88Å; K51-F53 HydrophobicContact CB-CE2 4.32Å; K51-F53 HydrophobicContact CD-CE2 4.17Å; K51-F53 HydrophobicContact CD-CZ 3.99Å; K51-F53 HydrophobicContact CG-CE2 4.18Å; K51-F53 HydrophobicContact CG-CZ 4.48Å
52A93.3Very high92.8Very high30 Ų3099 Ų9925%0.24850%0.497CS..EExtended strand (participates in β ladder)trans-87.6134.9168.900000109.7F10 L40 F41F10-A52 HydrophobicContact CE1-CB 4.22Å; F10-A52 HydrophobicContact CE2-CB 4.38Å; F10-A52 HydrophobicContact CZ-CB 3.7Å; L40-A52 CarbonylContact O-C 3.24Å; L40-A52 WeakPolarHBondContact O-CA 3.38Å; F41-A52 HydrophobicContact CD1-CB 3.97Å; F41-A52 HydrophobicContact CE1-CB 3.69Å; F41-A52 HydrophobicContact CZ-CB 4.24Å
53F91.4Very high92.4Very high98 Ų98104.2 Ų104.243%0.4352%0.52SS..EExtended strand (participates in β ladder)trans-107.6115.8169.1-68.1-96.2000107S39 L40 V42 K51S39-F53 WeakPolarHBondContact CA-O 3.37Å; S39-F53 VanDerWaalsContact CB-O 3.26Å; S39-F53 WeakPolarHBondContact CB-O 3.21Å; L40-F53 HydrophobicContact CB-CB 4.21Å; L40-F53 PolarHBondContact N-O 3.2Å; L40-F53 PolarHBondContact O-N 3.35Å; V42-F53 HydrophobicContact CB-CD2 4.46Å; V42-F53 HydrophobicContact CB-CE2 3.92Å; V42-F53 HydrophobicContact CG2-CD2 3.79Å; V42-F53 HydrophobicContact CG2-CE2 3.52Å; K51-F53 HydrophobicContact CB-CE2 4.32Å; K51-F53 HydrophobicContact CD-CE2 4.17Å; K51-F53 HydrophobicContact CD-CZ 3.99Å; K51-F53 HydrophobicContact CG-CE2 4.18Å; K51-F53 HydrophobicContact CG-CZ 4.48Å
54L86.4Confident92Very high105 Ų105107.8 Ų107.855%0.5554%0.544SS..EExtended strand (participates in β ladder)trans-98.3145.8174.4-65.4163.2000107.5F10F10-L54 HydrophobicContact CE1-CD2 3.64Å; F10-L54 HydrophobicContact CZ-CD1 4.25Å; F10-L54 HydrophobicContact CZ-CD2 3.67Å; F10-L54 HydrophobicContact CZ-CG 4.15Å
55D65.7Low91.5Very high204 Ų204113.2 Ų113.2100%1.09157%0.57SS**  trans-75.20162.3-164.635.1000109.8

Retrieved 55 of 55 residues in 12.3 ms (Link to these results)

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