A0A087WY03_HUMAN Loading...

Splicing regulatory glutamic acid and lysine rich protein 1

AlphaFold DB , UniProt , Accession A0A087WY03, Species HUMAN (Homo sapiens, Human), Gene SREK1, Length 100 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
1M39.1Very low41.4Very low238 Ų238122.1 Ų122.1100%1.17280%0.796SS**  095.80-58.581.4161.100108.5
2N29.5Very low41.5Very low156 Ų156117.1 Ų117.183%0.83478%0.783SS**  trans-142.285.1165.2-166.5-77.8000105.5G4N2-G4 PolarHBondContact O-N 3.12Å
3S41.2Very low41.9Very low124 Ų124122.5 Ų122.587%0.86779%0.786SS**  trans-74.482.9170.9-55.90000106.2G5S3-G5 PolarHBondContact O-N 3.32Å
4G38.5Very low42.2Very low61 Ų61117.4 Ų117.463%0.62977%0.768SS**  trans-57.7106.816600000107.2N2 G6N2-G4 PolarHBondContact O-N 3.12Å; G4-G6 PolarHBondContact O-N 2.95Å
5G41Very low42.8Very low55 Ų55120.5 Ų120.557%0.56777%0.773SS**  trans-56.6105172.700000108S3 F7S3-G5 PolarHBondContact O-N 3.32Å; G5-F7 WeakPolarHBondContact O-CD2 3.39Å; G5-F7 PolarHBondContact O-N 3.35Å
6G39.8Very low43.7Very low79 Ų79118.3 Ų118.381%0.81476%0.758SS**  trans-66.881.7169.200000108.4G4 G8G4-G6 PolarHBondContact O-N 2.95Å; G6-G8 VanDerWaalsContact C-N 3.28Å; G6-G8 PolarHBondContact O-N 3.43Å
7F51.1Low44.9Very low128 Ų128118.4 Ų118.456%0.56176%0.759SS**  trans-74.494.6162.4-66.8-69.8000106.1G5 L9 Y66G5-F7 WeakPolarHBondContact O-CD2 3.39Å; G5-F7 PolarHBondContact O-N 3.35Å; F7-L9 PolarHBondContact O-N 2.74Å; F7-Y66 WeakPolarHBondContact CE1-OH 3.34Å
8G43.5Very low47Very low71 Ų71112.6 Ų112.673%0.73272%0.722SS**  trans-49.4111.8-171.900000112.6G6 G10G6-G8 VanDerWaalsContact C-N 3.28Å; G6-G8 PolarHBondContact O-N 3.43Å; G8-G10 PolarHBondContact O-N 3.06Å; G8-G10 VanDerWaalsContact O-N 3.13Å
9L44.9Very low49.1Very low181 Ų181108.4 Ų108.495%0.94870%0.696SS**  trans-76.240.4148.7-77.5162.9000110F7F7-L9 PolarHBondContact O-N 2.74Å
10G41.1Very low51.2Low64 Ų64103.7 Ų103.766%0.6667%0.665SS**  trans-87.5110.3178.900000109.4G8 G12G8-G10 PolarHBondContact O-N 3.06Å; G8-G10 VanDerWaalsContact O-N 3.13Å; G10-G12 PolarHBondContact O-N 3.29Å
11L45.2Very low53Low186 Ų18698.7 Ų98.797%0.97463%0.633SS**  trans-65.658.7173.2-64.8164.3000112.2
12G43.2Very low55.5Low62 Ų6288.9 Ų88.964%0.63959%0.585SS**  trans-125.894176.300000109.3G10 G14G10-G12 PolarHBondContact O-N 3.29Å; G12-G14 PolarHBondContact O-N 3.32Å
13F47.1Very low58.4Low188 Ų18881.5 Ų81.583%0.82555%0.545SS*.  trans-57.191164.6-81.7-96.7000108.5L15F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.89Å
14G46Very low60.7Low51 Ų5177.1 Ų77.153%0.52651%0.513SS..  trans-64.795.6166.100000107.8G12 T16G12-G14 PolarHBondContact O-N 3.32Å; G14-T16 PolarHBondContact O-N 3.35Å; G14-T16 VanDerWaalsContact O-N 3.07Å
15L51.4Low63.1Low163 Ų16376.7 Ų76.785%0.85350%0.496SS*.  trans-71.917.1172.1-66.7170.2000112F13F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.89Å
16T56Low65.2Low85 Ų8574.1 Ų74.152%0.52147%0.47SS..SBendtrans-81.9131.1176.150.80000108.9G14 T18G14-T16 PolarHBondContact O-N 3.35Å; G14-T16 VanDerWaalsContact O-N 3.07Å; T16-T18 PolarHBondContact O-N 3.22Å
17P64.8Low67.3Low121 Ų12171 Ų7179%0.78644%0.435SS*.  trans-64.3105.3175.426.4-32000108.2
18T82.2Confident68.7Low14 Ų1467.6 Ų67.69%0.08643%0.428CS..  trans-105.6148170.6-177.80000109.6T16 V20 V75 P95 C96T16-T18 PolarHBondContact O-N 3.22Å; T18-V20 WeakPolarHBondContact CG2-O 3.38Å; T18-V20 PolarHBondContact OG1-N 3.35Å; T18-V75 WeakPolarHBondContact O-CG2 3.4Å; T18-P95 HydrophobicContact CG2-CB 3.63Å; T18-C96 WeakPolarHBondContact CB-O 3.48Å; T18-C96 WeakPolarHBondContact CG2-O 3.29Å; T18-C96 PolarHBondContact OG1-O 3Å
19S87.7Confident70.5Confident32 Ų3267.1 Ų67.122%0.22442%0.417CS..SBendtrans-96.72.1170.6-530000112.2F69S19-F69 VanDerWaalsContact CB-O 3.25Å; S19-F69 WeakPolarHBondContact CB-O 3.49Å; S19-F69 PolarHBondContact O-N 3.26Å
20V90.1Very high72.4Confident14 Ų1458.5 Ų58.59%0.08537%0.372CS..EExtended strand (participates in β ladder)trans-108.1134.4-178.2-174.60000110.7T18 V67 K68 C96 E98T18-V20 WeakPolarHBondContact CG2-O 3.38Å; T18-V20 PolarHBondContact OG1-N 3.35Å; V20-V67 CarbonylContact C-O 3.59Å; V20-V67 WeakPolarHBondContact CA-O 3.4Å; V20-K68 HydrophobicContact CG2-CB 4.06Å; V20-K68 HydrophobicContact CG2-CD 4.14Å; V20-K68 HydrophobicContact CG2-CG 3.91Å; V20-C96 HydrophobicContact CG1-CB 4.31Å; V20-C96 PolarHBondContact O-N 3.06Å; V20-E98 HydrophobicContact CB-CG 4.48Å; V20-E98 HydrophobicContact CG2-CG 3.66Å
21I90.6Very high74.6Confident0 Ų058 Ų580%036%0.356CS..EExtended strand (participates in β ladder)trans-118147.9171.560.7165.3000111.3V23 F39 Y66 V67 F69 V75 A78 V93 V94I21-V23 HydrophobicContact CD1-CG2 3.82Å; I21-V23 HydrophobicContact CG1-CG2 4.31Å; I21-F39 HydrophobicContact CD1-CD1 3.75Å; I21-F39 HydrophobicContact CD1-CE1 3.48Å; I21-F39 VanDerWaalsContact CD1-CE1 3.48Å; I21-F39 HydrophobicContact CD1-CG 4.45Å; I21-F39 HydrophobicContact CD1-CZ 4.03Å; I21-Y66 WeakPolarHBondContact O-CA 2.99Å; I21-V67 HydrophobicContact CD1-CB 4.01Å; I21-V67 HydrophobicContact CD1-CG2 4.23Å; I21-V67 HydrophobicContact CG1-CB 3.64Å; I21-V67 HydrophobicContact CG1-CG2 4.2Å; I21-V67 WeakPolarHBondContact CG1-O 3.44Å; I21-V67 PolarHBondContact N-O 3.43Å; I21-V67 PolarHBondContact O-N 3.31Å; I21-F69 HydrophobicContact CD1-CE2 3.54Å; I21-F69 HydrophobicContact CD1-CZ 4.08Å; I21-F69 HydrophobicContact CG1-CD2 4.4Å; I21-F69 HydrophobicContact CG1-CE2 3.73Å; I21-F69 HydrophobicContact CG2-CE2 4.3Å; I21-V75 HydrophobicContact CG2-CB 4.04Å; I21-V75 HydrophobicContact CG2-CG1 3.55Å; I21-V75 HydrophobicContact CG2-CG2 3.83Å; I21-A78 HydrophobicContact CD1-CB 3.74Å; I21-A78 HydrophobicContact CG2-CB 4.46Å; I21-V93 HydrophobicContact CB-CG1 3.98Å; I21-V93 HydrophobicContact CD1-CG1 3.78Å; I21-V93 HydrophobicContact CG1-CG1 4.47Å; I21-V93 HydrophobicContact CG2-CG1 4.1Å; I21-V94 CarbonylContact C-O 3.54Å; I21-V94 WeakPolarHBondContact CA-O 3.18Å
22Q90.8Very high76.5Confident32 Ų3251.1 Ų51.115%0.1532%0.323CS..EExtended strand (participates in β ladder)trans-107.8124.7167.3-176.4-178.6-54.300108.9T24 V64 Y66 V94 C96Q22-T24 HydrophobicContact CG-CG2 4.08Å; Q22-T24 VanDerWaalsContact NE2-CG2 3.3Å; Q22-V64 HydrophobicContact CG-CG2 4.42Å; Q22-Y66 HydrophobicContact CB-CD1 4.05Å; Q22-Y66 HydrophobicContact CB-CE1 3.69Å; Q22-Y66 VanDerWaalsContact CD-OH 3.28Å; Q22-Y66 HydrophobicContact CG-CD1 4.18Å; Q22-Y66 HydrophobicContact CG-CE1 3.53Å; Q22-Y66 VanDerWaalsContact OE1-CE1 3.32Å; Q22-Y66 PolarHBondContact OE1-OH 3.34Å; Q22-V94 PolarHBondContact N-O 3.31Å; Q22-V94 PolarHBondContact O-N 2.84Å; Q22-C96 HydrophobicContact CB-CB 4.47Å
23V90.5Very high78.7Confident0 Ų055.2 Ų55.20%033%0.326CS..EExtended strand (participates in β ladder)trans-110.8119.7177.4-160.60000109I21 L26 M35 F39 V64 C65 V67 L91 I92 V93I21-V23 HydrophobicContact CD1-CG2 3.82Å; I21-V23 HydrophobicContact CG1-CG2 4.31Å; V23-L26 HydrophobicContact CB-CD2 4.39Å; V23-L26 HydrophobicContact CG1-CD2 3.69Å; V23-M35 HydrophobicContact CB-CE 3.93Å; V23-M35 HydrophobicContact CG1-CE 3.85Å; V23-M35 HydrophobicContact CG2-CE 4.25Å; V23-F39 HydrophobicContact CB-CZ 4.35Å; V23-F39 HydrophobicContact CG1-CZ 4.1Å; V23-F39 HydrophobicContact CG2-CE1 4.23Å; V23-F39 HydrophobicContact CG2-CE2 3.74Å; V23-F39 HydrophobicContact CG2-CZ 3.41Å; V23-F39 VanDerWaalsContact CG2-CZ 3.41Å; V23-V64 CarbonylContact O-C 3.53Å; V23-V64 WeakPolarHBondContact O-CA 3.48Å; V23-C65 HydrophobicContact CB-CB 4.21Å; V23-C65 PolarHBondContact N-O 3.12Å; V23-C65 PolarHBondContact O-N 2.78Å; V23-V67 HydrophobicContact CG2-CG2 4.38Å; V23-L91 HydrophobicContact CG1-CB 4.32Å; V23-L91 HydrophobicContact CG1-CD2 4.2Å; V23-I92 CarbonylContact C-O 3.55Å; V23-I92 VanDerWaalsContact CA-O 3.3Å; V23-I92 WeakPolarHBondContact CA-O 3.39Å; V23-V93 HydrophobicContact CG1-CG2 4Å; V23-V93 HydrophobicContact CG2-CG2 4.34Å
24T89.2Confident80.8Confident32 Ų3250.3 Ų50.320%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-118.6-179.4-179.563.20000110.5Q22 L26 V64 I92Q22-T24 HydrophobicContact CG-CG2 4.08Å; Q22-T24 VanDerWaalsContact NE2-CG2 3.3Å; T24-L26 PolarHBondContact O-N 3.28Å; T24-V64 HydrophobicContact CG2-CG2 3.3Å; T24-I92 PolarHBondContact N-O 3.44Å; T24-I92 PolarHBondContact O-N 3.16Å; T24-I92 VanDerWaalsContact O-N 3.16Å; T24-I92 VanDerWaalsContact OG1-CB 3.29Å; T24-I92 WeakPolarHBondContact OG1-CB 3.39Å; T24-I92 WeakPolarHBondContact OG1-CG2 3.32Å
25N88Confident82.9Confident52 Ų5247.9 Ų47.928%0.27828%0.28SS..EExtended strand (participates in β ladder)trans57.233.2-178.1-163.541.1000113.8R89 A90 I92N25-R89 WeakPolarHBondContact O-CB 3.29Å; N25-A90 WeakPolarHBondContact CB-O 3.27Å; N25-A90 PolarHBondContact ND2-O 3.1Å; N25-I92 HydrophobicContact CB-CB 4.44Å; N25-I92 HydrophobicContact CB-CD1 3.67Å; N25-I92 HydrophobicContact CB-CG1 3.87Å
26L86.8Confident84.8Confident2 Ų245 Ų451%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-75.8145.3179.6-59.9179.9000111.5V23 T24 V30 M35 K63 C65 L91V23-L26 HydrophobicContact CB-CD2 4.39Å; V23-L26 HydrophobicContact CG1-CD2 3.69Å; T24-L26 PolarHBondContact O-N 3.28Å; L26-V30 HydrophobicContact CB-CG1 3.86Å; L26-V30 HydrophobicContact CD1-CG1 4.19Å; L26-V30 HydrophobicContact CG-CG1 4.49Å; L26-M35 HydrophobicContact CD1-CE 3.65Å; L26-M35 HydrophobicContact CD2-CE 3.39Å; L26-M35 HydrophobicContact CD2-SD 3.97Å; L26-M35 HydrophobicContact CG-CE 4.17Å; L26-K63 HydrophobicContact CB-CB 3.83Å; L26-K63 WeakPolarHBondContact CB-O 3.32Å; L26-K63 HydrophobicContact CD1-CB 4.09Å; L26-K63 WeakPolarHBondContact CG-O 3.42Å; L26-C65 HydrophobicContact CD1-CB 3.58Å; L26-L91 HydrophobicContact CD2-CD2 3.25Å
27S83.8Confident86.5Confident12 Ų1244.8 Ų44.88%0.08426%0.257CS..  trans-64.1144.9171.5179.60000111.1A29 V30S27-A29 PolarHBondContact O-N 3.22Å; S27-A29 PolarHBondContact OG-N 2.62Å; S27-V30 WeakPolarHBondContact O-CB 3.03Å; S27-V30 VanDerWaalsContact O-CG1 3.27Å; S27-V30 WeakPolarHBondContact O-CG1 3.49Å; S27-V30 PolarHBondContact O-N 2.95Å
28S79.4Confident87.7Confident58 Ų5840.7 Ų40.741%0.40623%0.228SC..THydrogen-bonded Turntrans-62.6-23.9175.155.70000112.5V30 K63S28-V30 VanDerWaalsContact C-N 3.26Å; S28-V30 PolarHBondContact O-N 3.28Å; S28-K63 WeakPolarHBondContact O-CE 3.47Å; S28-K63 PolarHBondContact O-NZ 2.83Å
29A82Confident88.1Confident61 Ų6140 Ų4050%0.50422%0.224SC..THydrogen-bonded Turntrans-75.9-10.2175.100000113.8S27 I87S27-A29 PolarHBondContact O-N 3.22Å; S27-A29 PolarHBondContact OG-N 2.62Å; A29-I87 HydrophobicContact CB-CD1 3.95Å; A29-I87 HydrophobicContact CB-CG2 4.35Å
30V84.7Confident88.3Confident0 Ų041.8 Ų41.80%024%0.237CC..  trans-72.6140.3-176.988.40000112.1L26 S27 S28 Q34 M35 L50 K63 F86 I87L26-V30 HydrophobicContact CB-CG1 3.86Å; L26-V30 HydrophobicContact CD1-CG1 4.19Å; L26-V30 HydrophobicContact CG-CG1 4.49Å; S27-V30 WeakPolarHBondContact O-CB 3.03Å; S27-V30 VanDerWaalsContact O-CG1 3.27Å; S27-V30 WeakPolarHBondContact O-CG1 3.49Å; S27-V30 PolarHBondContact O-N 2.95Å; S28-V30 VanDerWaalsContact C-N 3.26Å; S28-V30 PolarHBondContact O-N 3.28Å; V30-Q34 HydrophobicContact CG2-CB 4.48Å; V30-M35 HydrophobicContact CG1-CG 4.47Å; V30-M35 HydrophobicContact CG2-CG 3.7Å; V30-M35 HydrophobicContact CG2-SD 3.75Å; V30-L50 HydrophobicContact CG1-CD1 4.13Å; V30-K63 HydrophobicContact CG1-CD 3.97Å; V30-K63 PolarHBondContact O-NZ 2.86Å; V30-F86 HydrophobicContact CG2-CD1 3.77Å; V30-F86 HydrophobicContact CG2-CE1 3.56Å; V30-I87 HydrophobicContact CB-CD1 4.17Å; V30-I87 HydrophobicContact CG2-CD1 4.37Å
31T86.6Confident88.3Confident52 Ų5249.1 Ų49.132%0.31927%0.268SS..  trans-111157.9174.868.70000111.6E33 Q34 M35T31-E33 VanDerWaalsContact C-N 3.27Å; T31-E33 PolarHBondContact O-N 3.32Å; T31-Q34 PolarHBondContact O-N 3.35Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.48Å; T31-Q34 PolarHBondContact OG1-N 3.16Å; T31-M35 WeakPolarHBondContact O-CG 3.38Å; T31-M35 PolarHBondContact O-N 3.26Å; T31-M35 VanDerWaalsContact O-N 3.14Å
32S86.8Confident88.2Confident43 Ų4351.3 Ų51.330%0.30128%0.279SS..Hα-helixtrans-59.8-37.6175.650.40000112.1M35 R36S32-M35 PolarHBondContact O-N 3.02Å; S32-R36 VanDerWaalsContact O-CB 3.29Å; S32-R36 WeakPolarHBondContact O-CB 3.25Å; S32-R36 PolarHBondContact O-N 2.82Å
33E89.4Confident88.1Confident148 Ų14850.6 Ų50.669%0.69228%0.28SS*.Hα-helixtrans-62.8-46.5175.5-70.2-175.197.600112.2T31 M35 R36 T37T31-E33 VanDerWaalsContact C-N 3.27Å; T31-E33 PolarHBondContact O-N 3.32Å; E33-M35 VanDerWaalsContact C-N 3.34Å; E33-M35 PolarHBondContact O-N 2.79Å; E33-R36 WeakPolarHBondContact O-CB 3.28Å; E33-R36 PolarHBondContact O-N 3.3Å; E33-T37 PolarHBondContact O-N 3.5Å; E33-T37 PolarHBondContact O-OG1 2.94Å
34Q90.2Very high88.2Confident84 Ų8456 Ų5639%0.39331%0.306SS..Hα-helixtrans-61.6-43.4178-77.1-171.7-13.600112.2V30 T31 T37 L38 F86V30-Q34 HydrophobicContact CG2-CB 4.48Å; T31-Q34 PolarHBondContact O-N 3.35Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.48Å; T31-Q34 PolarHBondContact OG1-N 3.16Å; Q34-T37 PolarHBondContact O-N 3.45Å; Q34-L38 WeakPolarHBondContact O-CB 3.4Å; Q34-L38 PolarHBondContact O-N 3.29Å; Q34-F86 HydrophobicContact CB-CE1 4.17Å; Q34-F86 HydrophobicContact CB-CZ 4.12Å
35M90.5Very high88.4Confident0 Ų055.4 Ų55.40%030%0.301CS..Hα-helixtrans-62.2-45.8175.3-66.4-67.9-80.700110.7V23 L26 V30 T31 S32 E33 T37 L38 F39 L48 L50 C65V23-M35 HydrophobicContact CB-CE 3.93Å; V23-M35 HydrophobicContact CG1-CE 3.85Å; V23-M35 HydrophobicContact CG2-CE 4.25Å; L26-M35 HydrophobicContact CD1-CE 3.65Å; L26-M35 HydrophobicContact CD2-CE 3.39Å; L26-M35 HydrophobicContact CD2-SD 3.97Å; L26-M35 HydrophobicContact CG-CE 4.17Å; V30-M35 HydrophobicContact CG1-CG 4.47Å; V30-M35 HydrophobicContact CG2-CG 3.7Å; V30-M35 HydrophobicContact CG2-SD 3.75Å; T31-M35 WeakPolarHBondContact O-CG 3.38Å; T31-M35 PolarHBondContact O-N 3.26Å; T31-M35 VanDerWaalsContact O-N 3.14Å; S32-M35 PolarHBondContact O-N 3.02Å; E33-M35 VanDerWaalsContact C-N 3.34Å; E33-M35 PolarHBondContact O-N 2.79Å; M35-T37 VanDerWaalsContact C-N 3.33Å; M35-T37 PolarHBondContact O-N 3.41Å; M35-L38 PolarHBondContact O-N 2.85Å; M35-F39 HydrophobicContact CB-CD2 4.44Å; M35-F39 HydrophobicContact CE-CD2 4.47Å; M35-F39 HydrophobicContact CE-CE2 3.53Å; M35-F39 HydrophobicContact CE-CZ 4.32Å; M35-F39 WeakPolarHBondContact O-CD2 3.11Å; M35-F39 PolarHBondContact O-N 2.99Å; M35-F39 HydrophobicContact SD-CE2 4.19Å; M35-L48 HydrophobicContact CB-CD1 3.97Å; M35-L50 HydrophobicContact CG-CD1 4.37Å; M35-C65 HydrophobicContact CE-CB 3.58Å
36R90.6Very high88.6Confident104 Ų10458.8 Ų58.839%0.39232%0.315SS..Hα-helixtrans-57.4-47.8176.5-176.1175.9-77.7-87.62.6110.7S32 E33 L38 S40 I45 L48S32-R36 VanDerWaalsContact O-CB 3.29Å; S32-R36 WeakPolarHBondContact O-CB 3.25Å; S32-R36 PolarHBondContact O-N 2.82Å; E33-R36 WeakPolarHBondContact O-CB 3.28Å; E33-R36 PolarHBondContact O-N 3.3Å; R36-L38 PolarHBondContact O-N 2.84Å; R36-S40 WeakPolarHBondContact O-CA 3.42Å; R36-S40 WeakPolarHBondContact O-CB 3.14Å; R36-S40 PolarHBondContact O-N 3.13Å; R36-I45 HydrophobicContact CB-CD1 4.38Å; R36-I45 HydrophobicContact CG-CD1 3.9Å; R36-I45 WeakPolarHBondContact O-CD1 3.03Å; R36-L48 HydrophobicContact CB-CD1 3.91Å
37T91.5Very high88.8Confident79 Ų7962.6 Ų62.649%0.48533%0.333SS..Hα-helixtrans-61.4-45.9177.4-62.90000111.5E33 Q34 M35 S40 F41E33-T37 PolarHBondContact O-N 3.5Å; E33-T37 PolarHBondContact O-OG1 2.94Å; Q34-T37 PolarHBondContact O-N 3.45Å; M35-T37 VanDerWaalsContact C-N 3.33Å; M35-T37 PolarHBondContact O-N 3.41Å; T37-S40 PolarHBondContact O-N 3.19Å; T37-F41 HydrophobicContact CG2-CD2 4.45Å; T37-F41 HydrophobicContact CG2-CE2 3.64Å; T37-F41 HydrophobicContact CG2-CZ 4.16Å; T37-F41 WeakPolarHBondContact O-CD2 3.29Å; T37-F41 WeakPolarHBondContact O-CE2 3.48Å; T37-F41 PolarHBondContact O-N 2.91Å
38L90.6Very high89.1Confident35 Ų3562.9 Ų62.918%0.18333%0.333CS..Hα-helixtrans-58.5-52.9178.9179.468000112Q34 M35 R36 S40 F41 L81 F86 L91Q34-L38 WeakPolarHBondContact O-CB 3.4Å; Q34-L38 PolarHBondContact O-N 3.29Å; M35-L38 PolarHBondContact O-N 2.85Å; R36-L38 PolarHBondContact O-N 2.84Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 2.83Å; L38-F41 PolarHBondContact O-N 2.93Å; L38-L81 HydrophobicContact CD2-CD1 4.35Å; L38-L81 HydrophobicContact CG-CD1 4.28Å; L38-F86 HydrophobicContact CB-CE2 4.47Å; L38-F86 HydrophobicContact CD1-CE2 4.26Å; L38-F86 HydrophobicContact CD2-CD2 3.86Å; L38-F86 HydrophobicContact CD2-CE2 3.94Å; L38-F86 HydrophobicContact CD2-CG 4.47Å; L38-F86 HydrophobicContact CG-CE2 4.46Å; L38-L91 HydrophobicContact CD2-CD1 3.64Å
39F91.1Very high89.5Confident0 Ų066 Ų660%034%0.336CS..Hα-helixtrans-71.7-25.2-179.5-71.2-67.5000112.3I21 V23 M35 F41 L42 G43 I45 V67 F69 A78 L81 V93I21-F39 HydrophobicContact CD1-CD1 3.75Å; I21-F39 HydrophobicContact CD1-CE1 3.48Å; I21-F39 VanDerWaalsContact CD1-CE1 3.48Å; I21-F39 HydrophobicContact CD1-CG 4.45Å; I21-F39 HydrophobicContact CD1-CZ 4.03Å; V23-F39 HydrophobicContact CB-CZ 4.35Å; V23-F39 HydrophobicContact CG1-CZ 4.1Å; V23-F39 HydrophobicContact CG2-CE1 4.23Å; V23-F39 HydrophobicContact CG2-CE2 3.74Å; V23-F39 HydrophobicContact CG2-CZ 3.41Å; V23-F39 VanDerWaalsContact CG2-CZ 3.41Å; M35-F39 HydrophobicContact CB-CD2 4.44Å; M35-F39 HydrophobicContact CE-CD2 4.47Å; M35-F39 HydrophobicContact CE-CE2 3.53Å; M35-F39 HydrophobicContact CE-CZ 4.32Å; M35-F39 WeakPolarHBondContact O-CD2 3.11Å; M35-F39 PolarHBondContact O-N 2.99Å; M35-F39 HydrophobicContact SD-CE2 4.19Å; F39-F41 PolarHBondContact O-N 3.07Å; F39-L42 HydrophobicContact CD1-CD1 3.67Å; F39-L42 HydrophobicContact CE1-CD1 4.19Å; F39-L42 WeakPolarHBondContact O-CB 3.2Å; F39-L42 PolarHBondContact O-N 2.9Å; F39-G43 PolarHBondContact O-N 2.81Å; F39-G43 VanDerWaalsContact O-N 3.16Å; F39-I45 HydrophobicContact CB-CD1 3.6Å; F39-I45 HydrophobicContact CB-CG1 4.16Å; F39-V67 HydrophobicContact CB-CG1 4.19Å; F39-V67 HydrophobicContact CD2-CG2 3.77Å; F39-V67 HydrophobicContact CE2-CG2 4.16Å; F39-V67 HydrophobicContact CG-CG1 4.43Å; F39-V67 HydrophobicContact CG-CG2 4.22Å; F39-F69 HydrophobicContact CB-CE1 4.04Å; F39-F69 HydrophobicContact CB-CZ 3.83Å; F39-F69 AromaticContact CD1-CZ 3.81Å; F39-F69 HydrophobicContact CD1-CZ 3.81Å; F39-F69 HydrophobicContact CG-CZ 4.13Å; F39-A78 HydrophobicContact CD1-CB 4.2Å; F39-A78 HydrophobicContact CE1-CB 4.11Å; F39-L81 HydrophobicContact CE1-CD1 4.13Å; F39-V93 HydrophobicContact CE1-CG2 4.38Å; F39-V93 HydrophobicContact CZ-CG2 4.35Å
40S90.6Very high89.8Confident70 Ų7063.9 Ų63.949%0.4932%0.316SS..Hα-helixtrans-67.6-21.3176.6-1740000112.3R36 T37 L38 L42 G43R36-S40 WeakPolarHBondContact O-CA 3.42Å; R36-S40 WeakPolarHBondContact O-CB 3.14Å; R36-S40 PolarHBondContact O-N 3.13Å; T37-S40 PolarHBondContact O-N 3.19Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 2.83Å; S40-L42 VanDerWaalsContact C-N 3.27Å; S40-G43 WeakPolarHBondContact CA-O 3.36Å
41F89.9Confident89.7Confident168 Ų16869.6 Ų69.674%0.73734%0.338SS*.THydrogen-bonded Turntrans-73.3-20.9170.7-69.2-65.3000113T37 L38 F39T37-F41 HydrophobicContact CG2-CD2 4.45Å; T37-F41 HydrophobicContact CG2-CE2 3.64Å; T37-F41 HydrophobicContact CG2-CZ 4.16Å; T37-F41 WeakPolarHBondContact O-CD2 3.29Å; T37-F41 WeakPolarHBondContact O-CE2 3.48Å; T37-F41 PolarHBondContact O-N 2.91Å; L38-F41 PolarHBondContact O-N 2.93Å; F39-F41 PolarHBondContact O-N 3.07Å
42L89.6Confident89.1Confident45 Ų4568.9 Ų68.924%0.23634%0.335CS..THydrogen-bonded Turntrans-89.4-36.9179.8-49.6179.6000111.8F39 S40 V77 A78 L81F39-L42 HydrophobicContact CD1-CD1 3.67Å; F39-L42 HydrophobicContact CE1-CD1 4.19Å; F39-L42 WeakPolarHBondContact O-CB 3.2Å; F39-L42 PolarHBondContact O-N 2.9Å; S40-L42 VanDerWaalsContact C-N 3.27Å; L42-V77 HydrophobicContact CB-CG1 4.47Å; L42-V77 HydrophobicContact CD2-CG1 3.93Å; L42-A78 HydrophobicContact CD1-CB 3.78Å; L42-L81 HydrophobicContact CD1-CD1 3.34Å; L42-L81 HydrophobicContact CD1-CG 4.02Å; L42-L81 HydrophobicContact CD2-CD1 4.22Å; L42-L81 HydrophobicContact CG-CD1 4.22Å
43G89.6Confident88.3Confident17 Ų1770.4 Ų70.418%0.17534%0.344CS..SBendtrans-174.1173.218000000112.8F39 S40 I45F39-G43 PolarHBondContact O-N 2.81Å; F39-G43 VanDerWaalsContact O-N 3.16Å; S40-G43 WeakPolarHBondContact CA-O 3.36Å; G43-I45 PolarHBondContact O-N 3.5Å
44E92.4Very high87.1Confident115 Ų11568.6 Ų68.654%0.53734%0.339SS..  trans-69.3117.8177.7-169.4178.914200109.9F69 R70E44-F69 WeakPolarHBondContact O-CA 3.45Å; E44-R70 HydrophobicContact CB-CB 4.05Å; E44-R70 HydrophobicContact CG-CB 4.37Å; E44-R70 PolarHBondContact O-N 3.22Å; E44-R70 VanDerWaalsContact OE1-CD 3.25Å; E44-R70 WeakPolarHBondContact OE1-CD 3.18Å; E44-R70 IonicContact OE1-CZ 3.99Å; E44-R70 IonicContact OE1-NE 3.87Å; E44-R70 IonicContact OE1-NH1 3.71Å; E44-R70 PolarHBondContact OE1-NH1 2.83Å; E44-R70 WeakPolarHBondContact OE2-CD 3.3Å; E44-R70 IonicContact OE2-NH1 3.79Å
45I92.8Very high85.7Confident19 Ų1971.7 Ų71.710%0.09736%0.358CS..EExtended strand (participates in β ladder)trans-85.8119.4177.4-59.8171.7000109R36 F39 G43 E47 L48 V67 F69R36-I45 HydrophobicContact CB-CD1 4.38Å; R36-I45 HydrophobicContact CG-CD1 3.9Å; R36-I45 WeakPolarHBondContact O-CD1 3.03Å; F39-I45 HydrophobicContact CB-CD1 3.6Å; F39-I45 HydrophobicContact CB-CG1 4.16Å; G43-I45 PolarHBondContact O-N 3.5Å; I45-E47 WeakPolarHBondContact CG2-O 3.42Å; I45-L48 HydrophobicContact CG2-CB 4.1Å; I45-V67 HydrophobicContact CB-CG1 4.43Å; I45-V67 HydrophobicContact CD1-CG1 4.13Å; I45-V67 HydrophobicContact CG1-CG1 3.93Å; I45-V67 HydrophobicContact CG2-CG1 3.74Å; I45-F69 HydrophobicContact CG1-CD1 4.24Å; I45-F69 HydrophobicContact CG1-CE1 3.99Å
46E91.9Very high84.2Confident122 Ų12273.1 Ų73.157%0.5737%0.37SS*.EExtended strand (participates in β ladder)trans-78.9-53.8173.6-148.9-162.1121.400110.5K68E46-K68 WeakPolarHBondContact CA-O 3.45Å; E46-K68 HydrophobicContact CB-CG 4.15Å; E46-K68 WeakPolarHBondContact CB-O 3.29Å; E46-K68 PolarHBondContact N-O 2.84Å; E46-K68 WeakPolarHBondContact OE2-CE 3.14Å
47E90Very high82.4Confident83 Ų8374.5 Ų74.539%0.38839%0.392SS..EExtended strand (participates in β ladder)trans-136.8144.1179.1-163.4178.556.300111I45 R49 V67 K68I45-E47 WeakPolarHBondContact CG2-O 3.42Å; E47-R49 HydrophobicContact CG-CG 4.46Å; E47-R49 IonicContact OE1-CZ 3.21Å; E47-R49 IonicContact OE1-NE 2.75Å; E47-R49 IonicContact OE1-NH2 3.39Å; E47-R49 IonicContact OE2-CZ 3.49Å; E47-R49 IonicContact OE2-NE 2.79Å; E47-R49 PolarHBondContact OE2-NE 3.37Å; E47-R49 IonicContact OE2-NH2 3.56Å; E47-R49 PolarHBondContact OE2-NH2 3.28Å; E47-V67 CarbonylContact O-C 3.55Å; E47-V67 WeakPolarHBondContact O-CA 3.47Å; E47-K68 HydrophobicContact CB-CB 4.06Å; E47-K68 PolarHBondContact N-O 3.16Å; E47-K68 VanDerWaalsContact N-O 3.17Å; E47-K68 PolarHBondContact O-N 3.49Å
48L91.1Very high80.7Confident17 Ų1776 Ų769%0.08940%0.397CS..EExtended strand (participates in β ladder)trans-137.6128.6171.5-177151000109.6M35 R36 I45 Y66 V67M35-L48 HydrophobicContact CB-CD1 3.97Å; R36-L48 HydrophobicContact CB-CD1 3.91Å; I45-L48 HydrophobicContact CG2-CB 4.1Å; L48-Y66 CarbonylContact C-O 3.59Å; L48-Y66 VanDerWaalsContact CA-O 3.29Å; L48-Y66 WeakPolarHBondContact CA-O 3.45Å; L48-V67 HydrophobicContact CD1-CG1 4.34Å; L48-V67 HydrophobicContact CD1-CG2 3.76Å; L48-V67 HydrophobicContact CG-CG2 4.08Å
49R88.5Confident78.9Confident124 Ų12478.3 Ų78.347%0.46842%0.421SS..EExtended strand (participates in β ladder)trans-131.2129.1177.5-69.8-174.7178.1177.66.5111.2E47 Y51 C65 Y66E47-R49 HydrophobicContact CG-CG 4.46Å; E47-R49 IonicContact OE1-CZ 3.21Å; E47-R49 IonicContact OE1-NE 2.75Å; E47-R49 IonicContact OE1-NH2 3.39Å; E47-R49 IonicContact OE2-CZ 3.49Å; E47-R49 IonicContact OE2-NE 2.79Å; E47-R49 PolarHBondContact OE2-NE 3.37Å; E47-R49 IonicContact OE2-NH2 3.56Å; E47-R49 PolarHBondContact OE2-NH2 3.28Å; R49-Y51 HydrophobicContact CB-CD2 4.29Å; R49-Y51 HydrophobicContact CB-CE2 3.66Å; R49-C65 CarbonylContact O-C 3.55Å; R49-C65 WeakPolarHBondContact O-CA 3.5Å; R49-Y66 PolarHBondContact N-O 2.8Å; R49-Y66 PolarHBondContact O-N 3.25Å
50L87.6Confident77.2Confident17 Ų1787.3 Ų87.39%0.08946%0.461CS..EExtended strand (participates in β ladder)trans-111.4129.8180-172.8137.3000110.1V30 M35 P52 K63 C65V30-L50 HydrophobicContact CG1-CD1 4.13Å; M35-L50 HydrophobicContact CG-CD1 4.37Å; L50-P52 VanDerWaalsContact CD2-O 3.22Å; L50-P52 WeakPolarHBondContact CD2-O 3.04Å; L50-K63 HydrophobicContact CD2-CD 4.18Å; L50-C65 HydrophobicContact CD1-CB 4.38Å
51Y82Confident75.7Confident119 Ų11986.7 Ų86.747%0.46746%0.456SS..EExtended strand (participates in β ladder)trans-131.7133.7-178.3-69.2-83000110.7R49 V64 Y66R49-Y51 HydrophobicContact CB-CD2 4.29Å; R49-Y51 HydrophobicContact CB-CE2 3.66Å; Y51-V64 PolarHBondContact N-O 2.79Å; Y51-V64 PolarHBondContact O-N 2.78Å; Y51-Y66 HydrophobicContact CD2-CD2 4.13Å; Y51-Y66 HydrophobicContact CD2-CE2 4.45Å
52P75.1Confident74.6Confident38 Ų3881.9 Ų81.925%0.24744%0.443CS..SBendcis-64.7153.5-1228.9-34.8000111.6L50 A56L50-P52 VanDerWaalsContact CD2-O 3.22Å; L50-P52 WeakPolarHBondContact CD2-O 3.04Å; P52-A56 HydrophobicContact CB-CB 3.94Å
53P69.2Low74.2Confident75 Ų7580.9 Ų80.949%0.48744%0.437SS..  trans-59.6153.5177.425.6-33.6000111.1N55 A56P53-N55 PolarHBondContact O-N 2.83Å; P53-A56 VanDerWaalsContact O-CB 3.29Å; P53-A56 WeakPolarHBondContact O-CB 3.25Å; P53-A56 PolarHBondContact O-N 2.92Å
54D64.1Low74Confident110 Ų11081 Ų8159%0.58843%0.434SS*.THydrogen-bonded Turntrans-51.7-31.4-176.149.7-87.4000114.3A56D54-A56 PolarHBondContact O-N 3.42Å
55N60.4Low73.8Confident148 Ų14875.5 Ų75.579%0.79141%0.409SS*.THydrogen-bonded Turntrans-80.33.1-179-154.350.4000114.2P53P53-N55 PolarHBondContact O-N 2.83Å
56A60.4Low73.7Confident31 Ų3177.4 Ų77.426%0.25642%0.415SS..SBendtrans-78.5126.5176.300000110.4P52 P53 D54 L58P52-A56 HydrophobicContact CB-CB 3.94Å; P53-A56 VanDerWaalsContact O-CB 3.29Å; P53-A56 WeakPolarHBondContact O-CB 3.25Å; P53-A56 PolarHBondContact O-N 2.92Å; D54-A56 PolarHBondContact O-N 3.42Å; A56-L58 HydrophobicContact CB-CD1 4.45Å; A56-L58 PolarHBondContact O-N 2.79Å
57P53Low73.7Confident132 Ų13271.6 Ų71.686%0.85739%0.388SS*.  trans-69.920.2-174.727.1-34.5000115.2A59P57-A59 PolarHBondContact O-N 3.17Å
58L55.3Low73.7Confident112 Ų11270 Ų7059%0.58638%0.379SS*.  trans-92.478.2-174.7-74.4145.4000110.1A56 F60 S61A56-L58 HydrophobicContact CB-CD1 4.45Å; A56-L58 PolarHBondContact O-N 2.79Å; L58-F60 PolarHBondContact O-N 2.77Å; L58-S61 PolarHBondContact O-N 3.15Å
59A53.2Low73.7Confident83 Ų8369.1 Ų69.169%0.68638%0.375SS*.THydrogen-bonded Turntrans-58.5-5.3-179.100000115.4P57P57-A59 PolarHBondContact O-N 3.17Å
60F53.8Low73.8Confident189 Ų18971 Ų7183%0.82938%0.382SS*.THydrogen-bonded Turntrans-133.13.5-171.2-130.9-96.2000115.6L58L58-F60 PolarHBondContact O-N 2.77Å
61S59.1Low73.9Confident56 Ų5674 Ų7439%0.39240%0.398SS..SBendtrans-89.1134.7-177.3-163.20000111.4L58 K63L58-S61 PolarHBondContact O-N 3.15Å; S61-K63 PolarHBondContact O-N 2.83Å; S61-K63 VanDerWaalsContact O-N 3.16Å
62S66.9Low74Confident68 Ų6870.8 Ų70.848%0.47639%0.392SS..PPolyproline II helixtrans-55.7119.2169.8-65.10000109.3
63K80.7Confident74.6Confident24 Ų2473.1 Ų73.110%0.10441%0.409CS..EExtended strand (participates in β ladder)trans-77.7148.1173.3-69.5171.6168.6-179.10109.5L26 S28 V30 L50 S61L26-K63 HydrophobicContact CB-CB 3.83Å; L26-K63 WeakPolarHBondContact CB-O 3.32Å; L26-K63 HydrophobicContact CD1-CB 4.09Å; L26-K63 WeakPolarHBondContact CG-O 3.42Å; S28-K63 WeakPolarHBondContact O-CE 3.47Å; S28-K63 PolarHBondContact O-NZ 2.83Å; V30-K63 HydrophobicContact CG1-CD 3.97Å; V30-K63 PolarHBondContact O-NZ 2.86Å; L50-K63 HydrophobicContact CD2-CD 4.18Å; S61-K63 PolarHBondContact O-N 2.83Å; S61-K63 VanDerWaalsContact O-N 3.16Å
64V86.1Confident75.6Confident19 Ų1970.1 Ų70.112%0.11539%0.39CS..EExtended strand (participates in β ladder)trans-119.3137.2173.1126.70000108.4Q22 V23 T24 Y51 Y66Q22-V64 HydrophobicContact CG-CG2 4.42Å; V23-V64 CarbonylContact O-C 3.53Å; V23-V64 WeakPolarHBondContact O-CA 3.48Å; T24-V64 HydrophobicContact CG2-CG2 3.3Å; Y51-V64 PolarHBondContact N-O 2.79Å; Y51-V64 PolarHBondContact O-N 2.78Å; V64-Y66 HydrophobicContact CG1-CD2 3.82Å; V64-Y66 HydrophobicContact CG1-CE2 3.22Å
65C88.4Confident76.7Confident0 Ų065.3 Ų65.30%036%0.364CS..EExtended strand (participates in β ladder)trans-126.9128.3177-173.80000108.9V23 L26 M35 R49 L50V23-C65 HydrophobicContact CB-CB 4.21Å; V23-C65 PolarHBondContact N-O 3.12Å; V23-C65 PolarHBondContact O-N 2.78Å; L26-C65 HydrophobicContact CD1-CB 3.58Å; M35-C65 HydrophobicContact CE-CB 3.58Å; R49-C65 CarbonylContact O-C 3.55Å; R49-C65 WeakPolarHBondContact O-CA 3.5Å; L50-C65 HydrophobicContact CD1-CB 4.38Å
66Y90.6Very high77.9Confident58 Ų5859.8 Ų59.823%0.22734%0.343CS..EExtended strand (participates in β ladder)trans-100.4131170.6-68.9-83.4000108.7F7 I21 Q22 L48 R49 Y51 V64F7-Y66 WeakPolarHBondContact CE1-OH 3.34Å; I21-Y66 WeakPolarHBondContact O-CA 2.99Å; Q22-Y66 HydrophobicContact CB-CD1 4.05Å; Q22-Y66 HydrophobicContact CB-CE1 3.69Å; Q22-Y66 VanDerWaalsContact CD-OH 3.28Å; Q22-Y66 HydrophobicContact CG-CD1 4.18Å; Q22-Y66 HydrophobicContact CG-CE1 3.53Å; Q22-Y66 VanDerWaalsContact OE1-CE1 3.32Å; Q22-Y66 PolarHBondContact OE1-OH 3.34Å; L48-Y66 CarbonylContact C-O 3.59Å; L48-Y66 VanDerWaalsContact CA-O 3.29Å; L48-Y66 WeakPolarHBondContact CA-O 3.45Å; R49-Y66 PolarHBondContact N-O 2.8Å; R49-Y66 PolarHBondContact O-N 3.25Å; Y51-Y66 HydrophobicContact CD2-CD2 4.13Å; Y51-Y66 HydrophobicContact CD2-CE2 4.45Å; V64-Y66 HydrophobicContact CG1-CD2 3.82Å; V64-Y66 HydrophobicContact CG1-CE2 3.22Å
67V91.4Very high79.4Confident0 Ų061.9 Ų61.90%035%0.352CS..EExtended strand (participates in β ladder)trans-128.2122.2177.8-168.10000108V20 I21 V23 F39 I45 E47 L48 F69V20-V67 CarbonylContact C-O 3.59Å; V20-V67 WeakPolarHBondContact CA-O 3.4Å; I21-V67 HydrophobicContact CD1-CB 4.01Å; I21-V67 HydrophobicContact CD1-CG2 4.23Å; I21-V67 HydrophobicContact CG1-CB 3.64Å; I21-V67 HydrophobicContact CG1-CG2 4.2Å; I21-V67 WeakPolarHBondContact CG1-O 3.44Å; I21-V67 PolarHBondContact N-O 3.43Å; I21-V67 PolarHBondContact O-N 3.31Å; V23-V67 HydrophobicContact CG2-CG2 4.38Å; F39-V67 HydrophobicContact CB-CG1 4.19Å; F39-V67 HydrophobicContact CD2-CG2 3.77Å; F39-V67 HydrophobicContact CE2-CG2 4.16Å; F39-V67 HydrophobicContact CG-CG1 4.43Å; F39-V67 HydrophobicContact CG-CG2 4.22Å; I45-V67 HydrophobicContact CB-CG1 4.43Å; I45-V67 HydrophobicContact CD1-CG1 4.13Å; I45-V67 HydrophobicContact CG1-CG1 3.93Å; I45-V67 HydrophobicContact CG2-CG1 3.74Å; E47-V67 CarbonylContact O-C 3.55Å; E47-V67 WeakPolarHBondContact O-CA 3.47Å; L48-V67 HydrophobicContact CD1-CG1 4.34Å; L48-V67 HydrophobicContact CD1-CG2 3.76Å; L48-V67 HydrophobicContact CG-CG2 4.08Å; V67-F69 HydrophobicContact CB-CE2 4.46Å; V67-F69 HydrophobicContact CG1-CE1 4.35Å; V67-F69 HydrophobicContact CG1-CE2 4.16Å; V67-F69 HydrophobicContact CG1-CZ 4.06Å
68K91.4Very high81Confident49 Ų4955.6 Ų55.621%0.21331%0.311CS..EExtended strand (participates in β ladder)trans-99.3116.9170.9-178.3165.2178152.10108.1V20 E46 E47 E98V20-K68 HydrophobicContact CG2-CB 4.06Å; V20-K68 HydrophobicContact CG2-CD 4.14Å; V20-K68 HydrophobicContact CG2-CG 3.91Å; E46-K68 WeakPolarHBondContact CA-O 3.45Å; E46-K68 HydrophobicContact CB-CG 4.15Å; E46-K68 WeakPolarHBondContact CB-O 3.29Å; E46-K68 PolarHBondContact N-O 2.84Å; E46-K68 WeakPolarHBondContact OE2-CE 3.14Å; E47-K68 HydrophobicContact CB-CB 4.06Å; E47-K68 PolarHBondContact N-O 3.16Å; E47-K68 VanDerWaalsContact N-O 3.17Å; E47-K68 PolarHBondContact O-N 3.49Å; K68-E98 IonicContact NZ-OE1 3.79Å; K68-E98 PolarHBondContact NZ-OE1 3.2Å; K68-E98 IonicContact NZ-OE2 2.85Å; K68-E98 PolarHBondContact NZ-OE2 2.78Å
69F91.2Very high82.5Confident0 Ų054.4 Ų54.40%030%0.303CS..EExtended strand (participates in β ladder)trans-87.2155.2172-68.2-79.2000110.6S19 I21 F39 E44 I45 V67 D71 V75 A78S19-F69 VanDerWaalsContact CB-O 3.25Å; S19-F69 WeakPolarHBondContact CB-O 3.49Å; S19-F69 PolarHBondContact O-N 3.26Å; I21-F69 HydrophobicContact CD1-CE2 3.54Å; I21-F69 HydrophobicContact CD1-CZ 4.08Å; I21-F69 HydrophobicContact CG1-CD2 4.4Å; I21-F69 HydrophobicContact CG1-CE2 3.73Å; I21-F69 HydrophobicContact CG2-CE2 4.3Å; F39-F69 HydrophobicContact CB-CE1 4.04Å; F39-F69 HydrophobicContact CB-CZ 3.83Å; F39-F69 AromaticContact CD1-CZ 3.81Å; F39-F69 HydrophobicContact CD1-CZ 3.81Å; F39-F69 HydrophobicContact CG-CZ 4.13Å; E44-F69 WeakPolarHBondContact O-CA 3.45Å; I45-F69 HydrophobicContact CG1-CD1 4.24Å; I45-F69 HydrophobicContact CG1-CE1 3.99Å; V67-F69 HydrophobicContact CB-CE2 4.46Å; V67-F69 HydrophobicContact CG1-CE1 4.35Å; V67-F69 HydrophobicContact CG1-CE2 4.16Å; V67-F69 HydrophobicContact CG1-CZ 4.06Å; F69-D71 VanDerWaalsContact C-N 3.34Å; F69-V75 HydrophobicContact CD2-CG2 3.92Å; F69-A78 HydrophobicContact CE2-CB 4.05Å; F69-A78 HydrophobicContact CZ-CB 4.17Å
70R90.5Very high84.2Confident164 Ų16457.9 Ų57.962%0.61930%0.304SS*.SBendtrans-68-37170.1-174173.8-173.4126.98.2112.2E44E44-R70 HydrophobicContact CB-CB 4.05Å; E44-R70 HydrophobicContact CG-CB 4.37Å; E44-R70 PolarHBondContact O-N 3.22Å; E44-R70 VanDerWaalsContact OE1-CD 3.25Å; E44-R70 WeakPolarHBondContact OE1-CD 3.18Å; E44-R70 IonicContact OE1-CZ 3.99Å; E44-R70 IonicContact OE1-NE 3.87Å; E44-R70 IonicContact OE1-NH1 3.71Å; E44-R70 PolarHBondContact OE1-NH1 2.83Å; E44-R70 WeakPolarHBondContact OE2-CD 3.3Å; E44-R70 IonicContact OE2-NH1 3.79Å
71D88.9Confident85.8Confident78 Ų7850.3 Ų50.342%0.41727%0.273SS..SBendtrans-121.1130.3-176-166.3-84.6000111.4F69 S73 S74F69-D71 VanDerWaalsContact C-N 3.34Å; D71-S73 PolarHBondContact O-N 3.44Å; D71-S73 WeakPolarHBondContact OD1-CA 3.4Å; D71-S73 WeakPolarHBondContact OD1-CB 3.44Å; D71-S73 PolarHBondContact OD1-N 2.77Å; D71-S73 PolarHBondContact OD1-OG 2.73Å; D71-S74 VanDerWaalsContact O-CB 3.28Å; D71-S74 WeakPolarHBondContact O-CB 3.37Å; D71-S74 PolarHBondContact O-N 2.93Å; D71-S74 VanDerWaalsContact O-N 3.1Å; D71-S74 PolarHBondContact O-OG 2.81Å
72P84.8Confident87.2Confident53 Ų5349.7 Ų49.734%0.34427%0.266SS..THydrogen-bonded Turntrans-66.1-18.6-178.927.6-35.2000113.2S74 V75P72-S74 PolarHBondContact O-N 2.86Å; P72-V75 WeakPolarHBondContact O-CB 3.43Å; P72-V75 PolarHBondContact O-N 3.04Å; P72-V75 VanDerWaalsContact O-N 3.12Å
73S88Confident88.1Confident87 Ų8752.4 Ų52.461%0.60828%0.276SS*.Hα-helixtrans-62-30.8173.7-45.60000111.5D71 V75 G76D71-S73 PolarHBondContact O-N 3.44Å; D71-S73 WeakPolarHBondContact OD1-CA 3.4Å; D71-S73 WeakPolarHBondContact OD1-CB 3.44Å; D71-S73 PolarHBondContact OD1-N 2.77Å; D71-S73 PolarHBondContact OD1-OG 2.73Å; S73-V75 PolarHBondContact O-N 2.59Å; S73-G76 PolarHBondContact O-N 3.15Å
74S89.2Confident88.4Confident11 Ų1153.8 Ų53.88%0.07729%0.286CS..Hα-helixtrans-64.7-29.4177.9-43.90000111.9D71 P72 V77 A78D71-S74 VanDerWaalsContact O-CB 3.28Å; D71-S74 WeakPolarHBondContact O-CB 3.37Å; D71-S74 PolarHBondContact O-N 2.93Å; D71-S74 VanDerWaalsContact O-N 3.1Å; D71-S74 PolarHBondContact O-OG 2.81Å; P72-S74 PolarHBondContact O-N 2.86Å; S74-V77 PolarHBondContact O-N 3.43Å; S74-A78 WeakPolarHBondContact O-CB 3.45Å; S74-A78 PolarHBondContact O-N 3.31Å
75V87.9Confident88.5Confident9 Ų957.7 Ų57.76%0.05531%0.31CS..Hα-helixtrans-64.9-42.4178.2171.50000111.3T18 I21 F69 P72 S73 V77 A78 Q79 P95T18-V75 WeakPolarHBondContact O-CG2 3.4Å; I21-V75 HydrophobicContact CG2-CB 4.04Å; I21-V75 HydrophobicContact CG2-CG1 3.55Å; I21-V75 HydrophobicContact CG2-CG2 3.83Å; F69-V75 HydrophobicContact CD2-CG2 3.92Å; P72-V75 WeakPolarHBondContact O-CB 3.43Å; P72-V75 PolarHBondContact O-N 3.04Å; P72-V75 VanDerWaalsContact O-N 3.12Å; S73-V75 PolarHBondContact O-N 2.59Å; V75-V77 VanDerWaalsContact C-N 3.32Å; V75-V77 PolarHBondContact O-N 3.47Å; V75-A78 PolarHBondContact O-N 3.41Å; V75-Q79 PolarHBondContact O-N 2.86Å; V75-P95 HydrophobicContact CG1-CB 3.88Å
76G85.9Confident88.3Confident33 Ų3359.7 Ų59.734%0.3432%0.318SS..Hα-helixtrans-59.5-44.6176.100000111.6S73 Q79 H80S73-G76 PolarHBondContact O-N 3.15Å; G76-Q79 PolarHBondContact O-N 3.14Å; G76-H80 PolarHBondContact O-CE1 3.13Å; G76-H80 PolarHBondContact O-ND1 2.75Å
77V90.2Very high88Confident74 Ų7461.3 Ų61.345%0.44833%0.33SS..Hα-helixtrans-65.8-42.7176.6-170.20000110.9L42 S74 V75 Q79 H80L42-V77 HydrophobicContact CB-CG1 4.47Å; L42-V77 HydrophobicContact CD2-CG1 3.93Å; S74-V77 PolarHBondContact O-N 3.43Å; V75-V77 VanDerWaalsContact C-N 3.32Å; V75-V77 PolarHBondContact O-N 3.47Å; V77-Q79 VanDerWaalsContact C-N 3.27Å; V77-Q79 PolarHBondContact O-N 3.29Å; V77-H80 WeakPolarHBondContact O-CB 3.39Å; V77-H80 PolarHBondContact O-N 3.2Å
78A88.1Confident87.7Confident0 Ų067 Ų670%036%0.361CS..Hα-helixtrans-61-35.4177.200000112.9I21 F39 L42 F69 S74 V75 H80 L81 V93I21-A78 HydrophobicContact CD1-CB 3.74Å; I21-A78 HydrophobicContact CG2-CB 4.46Å; F39-A78 HydrophobicContact CD1-CB 4.2Å; F39-A78 HydrophobicContact CE1-CB 4.11Å; L42-A78 HydrophobicContact CD1-CB 3.78Å; F69-A78 HydrophobicContact CE2-CB 4.05Å; F69-A78 HydrophobicContact CZ-CB 4.17Å; S74-A78 WeakPolarHBondContact O-CB 3.45Å; S74-A78 PolarHBondContact O-N 3.31Å; V75-A78 PolarHBondContact O-N 3.41Å; A78-H80 PolarHBondContact O-N 2.77Å; A78-L81 VanDerWaalsContact O-CB 3.29Å; A78-L81 WeakPolarHBondContact O-CB 3.33Å; A78-L81 PolarHBondContact O-N 2.79Å; A78-V93 HydrophobicContact CB-CG1 4.12Å; A78-V93 WeakPolarHBondContact O-CB 3.37Å; A78-V93 WeakPolarHBondContact O-CG2 3.22Å
79Q86.9Confident87.4Confident87 Ų8768.2 Ų68.241%0.40736%0.364SS..Hα-helixtrans-62.1-30.5175.9-167.1174.5-6.200112.5V75 G76 V77 L81 T82V75-Q79 PolarHBondContact O-N 2.86Å; G76-Q79 PolarHBondContact O-N 3.14Å; V77-Q79 VanDerWaalsContact C-N 3.27Å; V77-Q79 PolarHBondContact O-N 3.29Å; Q79-L81 PolarHBondContact O-N 3.43Å; Q79-T82 WeakPolarHBondContact O-CB 3.37Å; Q79-T82 PolarHBondContact O-N 3.02Å; Q79-T82 PolarHBondContact O-OG1 3.22Å
80H87.9Confident87.3Confident156 Ų15669.6 Ų69.672%0.72238%0.375SS*.Hα-helixtrans-67.8-19.3173.7-65.878.2000112.8G76 V77 A78 T82G76-H80 PolarHBondContact O-CE1 3.13Å; G76-H80 PolarHBondContact O-ND1 2.75Å; V77-H80 WeakPolarHBondContact O-CB 3.39Å; V77-H80 PolarHBondContact O-N 3.2Å; A78-H80 PolarHBondContact O-N 2.77Å; H80-T82 PolarHBondContact O-N 2.85Å
81L87.9Confident87.3Confident31 Ų3161.8 Ų61.816%0.16235%0.346CS..THydrogen-bonded Turntrans-74.7-5.6170.7-63.2-174.6000112.9L38 F39 L42 A78 Q79 N83 T84 V93L38-L81 HydrophobicContact CD2-CD1 4.35Å; L38-L81 HydrophobicContact CG-CD1 4.28Å; F39-L81 HydrophobicContact CE1-CD1 4.13Å; L42-L81 HydrophobicContact CD1-CD1 3.34Å; L42-L81 HydrophobicContact CD1-CG 4.02Å; L42-L81 HydrophobicContact CD2-CD1 4.22Å; L42-L81 HydrophobicContact CG-CD1 4.22Å; A78-L81 VanDerWaalsContact O-CB 3.29Å; A78-L81 WeakPolarHBondContact O-CB 3.33Å; A78-L81 PolarHBondContact O-N 2.79Å; Q79-L81 PolarHBondContact O-N 3.43Å; L81-N83 PolarHBondContact O-N 2.78Å; L81-T84 WeakPolarHBondContact CA-OG1 3.46Å; L81-T84 HydrophobicContact CD2-CG2 4.46Å; L81-T84 WeakPolarHBondContact O-CB 3.47Å; L81-T84 PolarHBondContact O-N 2.83Å; L81-T84 PolarHBondContact O-OG1 3.49Å; L81-T84 VanDerWaalsContact O-OG1 3.12Å; L81-V93 HydrophobicContact CB-CG2 4.38Å
82T87.9Confident87.3Confident42 Ų4261.1 Ų61.126%0.25834%0.342SS..THydrogen-bonded Turntrans-56.8131.1168-59.40000109.2Q79 H80 T84 L91 V93Q79-T82 WeakPolarHBondContact O-CB 3.37Å; Q79-T82 PolarHBondContact O-N 3.02Å; Q79-T82 PolarHBondContact O-OG1 3.22Å; H80-T82 PolarHBondContact O-N 2.85Å; T82-T84 VanDerWaalsContact C-N 3.28Å; T82-T84 PolarHBondContact O-N 3.38Å; T82-L91 CarbonylContact C-O 3.58Å; T82-L91 WeakPolarHBondContact CA-O 3.46Å; T82-V93 PolarHBondContact OG1-N 2.74Å; T82-V93 PolarHBondContact OG1-O 2.82Å; T82-V93 VanDerWaalsContact OG1-O 3.13Å
83N85.3Confident87.6Confident126 Ų12658.9 Ų58.967%0.67433%0.327SS*.THydrogen-bonded Turntrans735.4-169.8-52-52.4000116.1L81 V85 L91L81-N83 PolarHBondContact O-N 2.78Å; N83-V85 PolarHBondContact O-N 3.37Å; N83-L91 PolarHBondContact N-O 2.76Å
84T88.4Confident87.6Confident52 Ų5258 Ų5832%0.31932%0.318SS..  trans-73.8122.5168.9-63.40000109.2L81 T82 F86 A90 L91L81-T84 WeakPolarHBondContact CA-OG1 3.46Å; L81-T84 HydrophobicContact CD2-CG2 4.46Å; L81-T84 WeakPolarHBondContact O-CB 3.47Å; L81-T84 PolarHBondContact O-N 2.83Å; L81-T84 PolarHBondContact O-OG1 3.49Å; L81-T84 VanDerWaalsContact O-OG1 3.12Å; T82-T84 VanDerWaalsContact C-N 3.28Å; T82-T84 PolarHBondContact O-N 3.38Å; T84-F86 PolarHBondContact O-N 3.21Å; T84-A90 WeakPolarHBondContact O-CA 3.4Å; T84-L91 WeakPolarHBondContact O-CG 3.29Å; T84-L91 PolarHBondContact O-N 2.77Å
85V87.4Confident87.5Confident101 Ų10159.7 Ų59.761%0.61233%0.328SS*.EExtended strand (participates in β ladder)trans-72.6116.4177.2176.90000109.3N83N83-V85 PolarHBondContact O-N 3.37Å
86F83.4Confident87.2Confident42 Ų4261.3 Ų61.318%0.18434%0.339CS..EExtended strand (participates in β ladder)trans-113.5118173.5-159.9-100.6000109.9V30 Q34 L38 T84 D88 R89 L91V30-F86 HydrophobicContact CG2-CD1 3.77Å; V30-F86 HydrophobicContact CG2-CE1 3.56Å; Q34-F86 HydrophobicContact CB-CE1 4.17Å; Q34-F86 HydrophobicContact CB-CZ 4.12Å; L38-F86 HydrophobicContact CB-CE2 4.47Å; L38-F86 HydrophobicContact CD1-CE2 4.26Å; L38-F86 HydrophobicContact CD2-CD2 3.86Å; L38-F86 HydrophobicContact CD2-CE2 3.94Å; L38-F86 HydrophobicContact CD2-CG 4.47Å; L38-F86 HydrophobicContact CG-CE2 4.46Å; T84-F86 PolarHBondContact O-N 3.21Å; F86-D88 PolarHBondContact O-N 3.06Å; F86-R89 PolarHBondContact N-O 2.85Å; F86-R89 PolarHBondContact O-N 3.06Å; F86-L91 HydrophobicContact CB-CD1 3.96Å; F86-L91 HydrophobicContact CB-CD2 3.69Å; F86-L91 HydrophobicContact CB-CG 3.76Å; F86-L91 HydrophobicContact CG-CD1 4.48Å; F86-L91 HydrophobicContact CG-CD2 4.44Å
87I84.6Confident86.4Confident92 Ų9261.8 Ų61.847%0.47234%0.34SS..THydrogen-bonded Turntrans64.1-69-170.9-52.3179.1000112.5A29 V30A29-I87 HydrophobicContact CB-CD1 3.95Å; A29-I87 HydrophobicContact CB-CG2 4.35Å; V30-I87 HydrophobicContact CB-CD1 4.17Å; V30-I87 HydrophobicContact CG2-CD1 4.37Å
88D85.3Confident85.1Confident120 Ų12064.1 Ų64.164%0.64235%0.346SS*.THydrogen-bonded Turntrans-146.1-24.2-175.7175.7-106.2000112.1F86F86-D88 PolarHBondContact O-N 3.06Å
89R84.9Confident83.5Confident75 Ų7571.7 Ų71.728%0.28339%0.387SS..EExtended strand (participates in β ladder)trans-112.7143.6-175.1-62.4-167.5179.9-168.43.1112N25 F86 L91N25-R89 WeakPolarHBondContact O-CB 3.29Å; F86-R89 PolarHBondContact N-O 2.85Å; F86-R89 PolarHBondContact O-N 3.06Å; R89-L91 PolarHBondContact O-N 2.89Å
90A89.2Confident81.5Confident28 Ų2878.6 Ų78.623%0.23143%0.426CS..EExtended strand (participates in β ladder)trans-69.1124.8172.100000110.9N25 T84N25-A90 WeakPolarHBondContact CB-O 3.27Å; N25-A90 PolarHBondContact ND2-O 3.1Å; T84-A90 WeakPolarHBondContact O-CA 3.4Å
91L90.1Very high81.2Confident1 Ų174.7 Ų74.71%0.00541%0.412CS..  trans-65.4141.3175-59.8178.4000110.2V23 L26 L38 T82 N83 T84 F86 R89V23-L91 HydrophobicContact CG1-CB 4.32Å; V23-L91 HydrophobicContact CG1-CD2 4.2Å; L26-L91 HydrophobicContact CD2-CD2 3.25Å; L38-L91 HydrophobicContact CD2-CD1 3.64Å; T82-L91 CarbonylContact C-O 3.58Å; T82-L91 WeakPolarHBondContact CA-O 3.46Å; N83-L91 PolarHBondContact N-O 2.76Å; T84-L91 WeakPolarHBondContact O-CG 3.29Å; T84-L91 PolarHBondContact O-N 2.77Å; F86-L91 HydrophobicContact CB-CD1 3.96Å; F86-L91 HydrophobicContact CB-CD2 3.69Å; F86-L91 HydrophobicContact CB-CG 3.76Å; F86-L91 HydrophobicContact CG-CD1 4.48Å; F86-L91 HydrophobicContact CG-CD2 4.44Å; R89-L91 PolarHBondContact O-N 2.89Å
92I90.8Very high80.8Confident64 Ų6477 Ų7733%0.32843%0.425SS..EExtended strand (participates in β ladder)trans-119107171.1-62.2176.8000107.3V23 T24 N25 V94V23-I92 CarbonylContact C-O 3.55Å; V23-I92 VanDerWaalsContact CA-O 3.3Å; V23-I92 WeakPolarHBondContact CA-O 3.39Å; T24-I92 PolarHBondContact N-O 3.44Å; T24-I92 PolarHBondContact O-N 3.16Å; T24-I92 VanDerWaalsContact O-N 3.16Å; T24-I92 VanDerWaalsContact OG1-CB 3.29Å; T24-I92 WeakPolarHBondContact OG1-CB 3.39Å; T24-I92 WeakPolarHBondContact OG1-CG2 3.32Å; N25-I92 HydrophobicContact CB-CB 4.44Å; N25-I92 HydrophobicContact CB-CD1 3.67Å; N25-I92 HydrophobicContact CB-CG1 3.87Å; I92-V94 HydrophobicContact CG2-CG2 4.11Å
93V89.8Confident80.4Confident5 Ų578.9 Ų78.93%0.0343%0.434CS..EExtended strand (participates in β ladder)trans-103.4123.4-177.7-176.50000109.2I21 V23 F39 A78 L81 T82I21-V93 HydrophobicContact CB-CG1 3.98Å; I21-V93 HydrophobicContact CD1-CG1 3.78Å; I21-V93 HydrophobicContact CG1-CG1 4.47Å; I21-V93 HydrophobicContact CG2-CG1 4.1Å; V23-V93 HydrophobicContact CG1-CG2 4Å; V23-V93 HydrophobicContact CG2-CG2 4.34Å; F39-V93 HydrophobicContact CE1-CG2 4.38Å; F39-V93 HydrophobicContact CZ-CG2 4.35Å; A78-V93 HydrophobicContact CB-CG1 4.12Å; A78-V93 WeakPolarHBondContact O-CB 3.37Å; A78-V93 WeakPolarHBondContact O-CG2 3.22Å; L81-V93 HydrophobicContact CB-CG2 4.38Å; T82-V93 PolarHBondContact OG1-N 2.74Å; T82-V93 PolarHBondContact OG1-O 2.82Å; T82-V93 VanDerWaalsContact OG1-O 3.13Å
94V88.5Confident80.1Confident70 Ų7076.2 Ų76.242%0.42442%0.42SS..EExtended strand (participates in β ladder)trans-126.7129.1-179.7-175.60000108.8I21 Q22 I92 C96I21-V94 CarbonylContact C-O 3.54Å; I21-V94 WeakPolarHBondContact CA-O 3.18Å; Q22-V94 PolarHBondContact N-O 3.31Å; Q22-V94 PolarHBondContact O-N 2.84Å; I92-V94 HydrophobicContact CG2-CG2 4.11Å; V94-C96 PolarHBondContact O-N 2.97Å
95P86.4Confident79.6Confident45 Ų4577.7 Ų77.729%0.29243%0.426SS..EExtended strand (participates in β ladder)trans-64.4130.4171.225.9-31.9000110.2T18 V75T18-P95 HydrophobicContact CG2-CB 3.63Å; V75-P95 HydrophobicContact CG1-CB 3.88Å
96C82.1Confident79.1Confident43 Ų4376.1 Ų76.129%0.29141%0.414SS..EExtended strand (participates in β ladder)trans-112.2116.1177.4-171.10000108.4T18 V20 Q22 V94T18-C96 WeakPolarHBondContact CB-O 3.48Å; T18-C96 WeakPolarHBondContact CG2-O 3.29Å; T18-C96 PolarHBondContact OG1-O 3Å; V20-C96 HydrophobicContact CG1-CB 4.31Å; V20-C96 PolarHBondContact O-N 3.06Å; Q22-C96 HydrophobicContact CB-CB 4.47Å; V94-C96 PolarHBondContact O-N 2.97Å
97A70.1Confident78.8Confident44 Ų4478.6 Ų78.636%0.36443%0.43SS..  trans-65.6138.717400000110D99A97-D99 PolarHBondContact O-N 2.95Å
98E62.6Low78.3Confident122 Ų12277.5 Ų77.557%0.5743%0.427SS*.  trans-77.3106.4157.8-56.3-155.6104.200104.8V20 K68 D100V20-E98 HydrophobicContact CB-CG 4.48Å; V20-E98 HydrophobicContact CG2-CG 3.66Å; K68-E98 IonicContact NZ-OE1 3.79Å; K68-E98 PolarHBondContact NZ-OE1 3.2Å; K68-E98 IonicContact NZ-OE2 2.85Å; K68-E98 PolarHBondContact NZ-OE2 2.78Å; E98-D100 PolarHBondContact O-N 2.93Å; E98-D100 VanDerWaalsContact O-N 3.15Å
99D54.7Low77.8Confident160 Ų16074 Ų7486%0.85641%0.409SS*.  trans-64.1108.7167.6-99.6-101.1000106.3A97A97-D99 PolarHBondContact O-N 2.95Å
100D44.1Very low77.1Confident231 Ų23173.9 Ų73.9100%1.23542%0.421SS*.  trans-70.30169.1-173.3-110.5000110.5E98E98-D100 PolarHBondContact O-N 2.93Å; E98-D100 VanDerWaalsContact O-N 3.15Å

Retrieved 100 of 100 residues in 64.6 ms (Link to these results)

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