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UPF0349 protein SAV0939

AlphaFold DB (Q2FZV9), UniProt , Accession Q99VE2, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 78 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
1M73.6Confident86.9Confident203 Ų20346.3 Ų46.3100%125%0.245SC*.  0127.70-167.4178-76.500103.1W76M1-W76 HydrophobicContact CB-CH2 3.94Å; M1-W76 HydrophobicContact CB-CZ3 3.99Å; M1-W76 HydrophobicContact CG-CH2 3.9Å; M1-W76 HydrophobicContact CG-CZ3 4.45Å; M1-W76 VanDerWaalsContact O-CH2 3.25Å; M1-W76 WeakPolarHBondContact O-CH2 3.5Å; M1-W76 WeakPolarHBondContact O-CZ3 3.41Å; M1-W76 HydrophobicContact SD-CH2 4.48Å
2N84Confident86.7Confident49 Ų4944.4 Ų44.426%0.26224%0.235SC..PPolyproline II helixtrans-99147.4-174.8-63.9-5000108.5I4 P27 D28 D30 W76N2-I4 PolarHBondContact O-N 3.12Å; N2-P27 PolarHBondContact ND2-O 3.4Å; N2-P27 VanDerWaalsContact ND2-O 3.12Å; N2-D28 WeakPolarHBondContact CB-O 2.81Å; N2-D30 HydrophobicContact CB-CB 4.46Å; N2-D30 WeakPolarHBondContact CB-OD2 3.24Å; N2-W76 VanDerWaalsContact C-CH2 3.45Å; N2-W76 WeakPolarHBondContact O-CH2 3.31Å
3P90Very high86.5Confident7 Ų747.9 Ų47.95%0.04527%0.274CS..PPolyproline II helixtrans-51.2127.4165.220.3-35.3000111.2D28 V29 D30 I72 W76P3-D28 WeakPolarHBondContact CD-O 3.26Å; P3-D28 WeakPolarHBondContact CG-O 3.24Å; P3-V29 HydrophobicContact CG-CB 4.35Å; P3-V29 HydrophobicContact CG-CG1 4.24Å; P3-V29 HydrophobicContact CG-CG2 4.03Å; P3-D30 PolarHBondContact O-N 2.96Å; P3-I72 HydrophobicContact CB-CB 4.44Å; P3-I72 HydrophobicContact CB-CD1 3.77Å; P3-I72 HydrophobicContact CB-CG1 3.67Å; P3-I72 HydrophobicContact CB-CG2 4Å; P3-I72 HydrophobicContact CG-CB 4.5Å; P3-I72 HydrophobicContact CG-CD1 3.8Å; P3-I72 HydrophobicContact CG-CG1 4.04Å; P3-I72 HydrophobicContact CG-CG2 3.64Å; P3-W76 HydrophobicContact CB-CZ2 4.05Å
4I91.3Very high86.3Confident61 Ų6152.4 Ų52.431%0.31329%0.288SS..EExtended strand (participates in β ladder)trans-90.7122.9172.6-59.8173.7000108.3N2 E6 D30 L32 V51 N52N2-I4 PolarHBondContact O-N 3.12Å; I4-E6 HydrophobicContact CG2-CG 3.84Å; I4-D30 CarbonylContact C-O 3.57Å; I4-D30 VanDerWaalsContact CA-O 3.27Å; I4-D30 WeakPolarHBondContact CA-O 3.22Å; I4-D30 HydrophobicContact CG1-CB 4.13Å; I4-L32 HydrophobicContact CG2-CD1 3.49Å; I4-L32 VanDerWaalsContact CG2-CD1 3.49Å; I4-L32 HydrophobicContact CG2-CG 3.95Å; I4-V51 CarbonylContact O-C 3.48Å; I4-V51 WeakPolarHBondContact O-CA 3.25Å; I4-N52 PolarHBondContact N-OD1 2.88Å; I4-N52 PolarHBondContact O-N 3.35Å
5V93Very high86.1Confident0 Ų049.9 Ų49.90%028%0.279CS..EExtended strand (participates in β ladder)trans-112.9115.6175.1-170.90000109.4F7 L23 V29 D30 V31 L32 A49 L50 V51 I68 I72V5-F7 HydrophobicContact CB-CE2 4.19Å; V5-F7 HydrophobicContact CG1-CD2 4.05Å; V5-F7 HydrophobicContact CG1-CE2 3.32Å; V5-F7 HydrophobicContact CG1-CZ 3.83Å; V5-L23 HydrophobicContact CB-CD1 4.25Å; V5-L23 HydrophobicContact CG1-CD1 3.93Å; V5-L23 HydrophobicContact CG2-CD1 4.35Å; V5-V29 HydrophobicContact CB-CG1 4.3Å; V5-V29 HydrophobicContact CG2-CG1 3.45Å; V5-V29 VanDerWaalsContact CG2-CG1 3.45Å; V5-D30 PolarHBondContact N-O 2.96Å; V5-V31 CarbonylContact O-C 3.46Å; V5-V31 WeakPolarHBondContact O-CA 3.44Å; V5-L32 PolarHBondContact O-N 2.95Å; V5-A49 HydrophobicContact CG1-CB 3.95Å; V5-L50 CarbonylContact C-O 3.52Å; V5-L50 VanDerWaalsContact CA-O 3.26Å; V5-L50 WeakPolarHBondContact CA-O 3.12Å; V5-V51 HydrophobicContact CG1-CG2 4.23Å; V5-V51 HydrophobicContact CG2-CG1 4.39Å; V5-V51 HydrophobicContact CG2-CG2 4.23Å; V5-I68 HydrophobicContact CG1-CD1 4.18Å; V5-I68 HydrophobicContact CG1-CG2 4.28Å; V5-I68 HydrophobicContact CG2-CG2 3.91Å; V5-I72 HydrophobicContact CG2-CD1 4.08Å
6E92.5Very high86.2Confident35 Ų3546.8 Ų46.816%0.16426%0.262CS..EExtended strand (participates in β ladder)trans-105.1125.5-175.5-46.7177.499.200110.3I4 L32 Y34 L37 L50I4-E6 HydrophobicContact CG2-CG 3.84Å; E6-L32 CarbonylContact C-O 3.58Å; E6-L32 WeakPolarHBondContact CA-O 3.46Å; E6-L32 HydrophobicContact CG-CB 4.34Å; E6-Y34 HydrophobicContact CB-CD2 3.87Å; E6-Y34 HydrophobicContact CB-CE2 3.69Å; E6-Y34 HydrophobicContact CG-CD2 4.39Å; E6-Y34 HydrophobicContact CG-CE2 3.69Å; E6-Y34 WeakPolarHBondContact OE1-CE2 2.84Å; E6-Y34 PolarHBondContact OE1-OH 3.48Å; E6-L37 HydrophobicContact CB-CD1 4.46Å; E6-L37 HydrophobicContact CB-CD2 4.32Å; E6-L50 HydrophobicContact CB-CB 4.14Å; E6-L50 PolarHBondContact N-O 3.31Å; E6-L50 PolarHBondContact O-N 3.17Å
7F90.9Very high86.4Confident0 Ų048.7 Ų48.70%027%0.272CS..EExtended strand (participates in β ladder)trans-111.7147.5176.6-72.1-92.4000110.8V5 M12 V19 F20 L23 V31 L32 Y34 A49 L64 I68V5-F7 HydrophobicContact CB-CE2 4.19Å; V5-F7 HydrophobicContact CG1-CD2 4.05Å; V5-F7 HydrophobicContact CG1-CE2 3.32Å; V5-F7 HydrophobicContact CG1-CZ 3.83Å; F7-M12 HydrophobicContact CB-CG 4.11Å; F7-M12 HydrophobicContact CB-SD 4.26Å; F7-V19 HydrophobicContact CE1-CB 4.06Å; F7-V19 HydrophobicContact CE1-CG1 3.98Å; F7-V19 HydrophobicContact CZ-CB 4.05Å; F7-V19 HydrophobicContact CZ-CG1 3.59Å; F7-F20 HydrophobicContact CB-CD2 4.25Å; F7-F20 AromaticContact CD2-CD2 3.81Å; F7-F20 HydrophobicContact CD2-CD2 3.81Å; F7-F20 HydrophobicContact CE2-CD2 4.46Å; F7-F20 HydrophobicContact CG-CD2 4.15Å; F7-L23 HydrophobicContact CE2-CD1 3.74Å; F7-L23 HydrophobicContact CZ-CD1 3.78Å; F7-V31 HydrophobicContact CD2-CG1 3.75Å; F7-V31 HydrophobicContact CE2-CG1 3.86Å; F7-L32 PolarHBondContact N-O 3.17Å; F7-Y34 PolarHBondContact O-N 3.46Å; F7-A49 HydrophobicContact CD1-CB 4.09Å; F7-A49 HydrophobicContact CE1-CB 3.67Å; F7-A49 HydrophobicContact CE2-CB 4.32Å; F7-A49 HydrophobicContact CZ-CB 3.79Å; F7-L64 HydrophobicContact CE1-CD2 4.26Å; F7-I68 HydrophobicContact CE1-CD1 4.48Å; F7-I68 HydrophobicContact CZ-CD1 3.87Å
8C89.3Confident86.7Confident1 Ų151.6 Ų51.61%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-97.4146.6166.568.20000112.1S10 N11 M12 Y34 L37 Y48C8-S10 PolarHBondContact O-N 3.28Å; C8-N11 WeakPolarHBondContact O-CA 3.26Å; C8-N11 WeakPolarHBondContact O-CB 3.37Å; C8-N11 PolarHBondContact O-N 3.22Å; C8-N11 WeakPolarHBondContact SG-CB 3.34Å; C8-N11 PolarHBondContact SG-N 2.98Å; C8-M12 PolarHBondContact O-N 2.82Å; C8-Y34 CarbonylContact C-O 3.44Å; C8-Y34 VanDerWaalsContact CA-O 3.24Å; C8-Y34 WeakPolarHBondContact CA-O 3.49Å; C8-L37 HydrophobicContact CB-CB 4.35Å; C8-L37 HydrophobicContact CB-CD1 4.13Å; C8-L37 HydrophobicContact CB-CG 3.94Å; C8-Y48 PolarHBondContact SG-OH 3.31Å
9L84.5Confident86.9Confident93 Ų9348.8 Ų48.849%0.48726%0.264SS..Hα-helixtrans-51.2-41.2176.8-69.5178.7000112.3N11 M12 A13 Y34L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 3.16Å; L9-M12 HydrophobicContact CD2-CE 3.57Å; L9-M12 HydrophobicContact CG-CE 4.49Å; L9-M12 PolarHBondContact O-N 3.48Å; L9-A13 PolarHBondContact O-N 3.02Å; L9-Y34 PolarHBondContact N-O 3.4Å
10S84.2Confident87.2Confident60 Ų6047.7 Ų47.742%0.4226%0.256SS..Hα-helixtrans-61.7-36177.7-58.40000113C8 C43C8-S10 PolarHBondContact O-N 3.28Å; S10-C43 WeakPolarHBondContact CB-SG 3.31Å
11N82.8Confident87.4Confident0 Ų049.2 Ų49.20%026%0.264CS..Hα-helixtrans-75.4-39.8177.6-166.370.2000111.5C8 L9 A13 K14 G16 L47 Y48C8-N11 WeakPolarHBondContact O-CA 3.26Å; C8-N11 WeakPolarHBondContact O-CB 3.37Å; C8-N11 PolarHBondContact O-N 3.22Å; C8-N11 WeakPolarHBondContact SG-CB 3.34Å; C8-N11 PolarHBondContact SG-N 2.98Å; L9-N11 VanDerWaalsContact C-N 3.29Å; L9-N11 PolarHBondContact O-N 3.16Å; N11-A13 VanDerWaalsContact C-N 3.27Å; N11-A13 PolarHBondContact O-N 2.78Å; N11-K14 WeakPolarHBondContact O-CB 3.4Å; N11-K14 PolarHBondContact O-N 3.35Å; N11-G16 PolarHBondContact O-N 3.08Å; N11-L47 VanDerWaalsContact OD1-CA 3.22Å; N11-L47 WeakPolarHBondContact OD1-CA 3.27Å; N11-Y48 HydrophobicContact CB-CE1 4.29Å; N11-Y48 PolarHBondContact ND2-O 2.8Å; N11-Y48 PolarHBondContact OD1-N 2.85Å
12M84.2Confident88.3Confident24 Ų2443.7 Ų43.712%0.11824%0.236CC..Iπ-helixtrans-59.7-40.6174.7-66.5-165.2-69.500111.4F7 C8 L9 K14 G15 G16 D17 F20 E33F7-M12 HydrophobicContact CB-CG 4.11Å; F7-M12 HydrophobicContact CB-SD 4.26Å; C8-M12 PolarHBondContact O-N 2.82Å; L9-M12 HydrophobicContact CD2-CE 3.57Å; L9-M12 HydrophobicContact CG-CE 4.49Å; L9-M12 PolarHBondContact O-N 3.48Å; M12-K14 PolarHBondContact O-N 2.77Å; M12-K14 VanDerWaalsContact O-N 3.09Å; M12-G15 PolarHBondContact O-N 2.83Å; M12-G15 VanDerWaalsContact O-N 3.1Å; M12-G16 PolarHBondContact O-N 2.71Å; M12-D17 PolarHBondContact O-N 3.21Å; M12-F20 HydrophobicContact SD-CB 4.11Å; M12-F20 HydrophobicContact SD-CD2 3.67Å; M12-F20 HydrophobicContact SD-CE2 4.21Å; M12-F20 HydrophobicContact SD-CG 3.86Å; M12-E33 HydrophobicContact CE-CB 4Å
13A84.1Confident88.7Confident90 Ų9041.3 Ų41.374%0.74422%0.223SC*.Iπ-helixtrans-62.4-16.6175.700000114.7L9 N11L9-A13 PolarHBondContact O-N 3.02Å; N11-A13 VanDerWaalsContact C-N 3.27Å; N11-A13 PolarHBondContact O-N 2.78Å
14K83.5Confident88.7Confident110 Ų11047 Ų4748%0.47825%0.249SC..Iπ-helixtrans-93.9-6.2177.7-70.7-176.7170.9-164.10114.1N11 M12 C43 S44 L47N11-K14 WeakPolarHBondContact O-CB 3.4Å; N11-K14 PolarHBondContact O-N 3.35Å; M12-K14 PolarHBondContact O-N 2.77Å; M12-K14 VanDerWaalsContact O-N 3.09Å; K14-C43 WeakPolarHBondContact CE-O 3.42Å; K14-C43 PolarHBondContact NZ-O 3.48Å; K14-S44 PolarHBondContact NZ-O 2.88Å; K14-L47 HydrophobicContact CB-CD2 3.67Å
15G84Confident88.7Confident15 Ų1550.3 Ų50.316%0.15527%0.268CS..Iπ-helixtrans124.5-2.1-172.800000114M12 D17 Y18 P61M12-G15 PolarHBondContact O-N 2.83Å; M12-G15 VanDerWaalsContact O-N 3.1Å; G15-D17 VanDerWaalsContact C-OD1 3.25Å; G15-D17 WeakPolarHBondContact CA-OD1 3.4Å; G15-D17 PolarHBondContact O-N 3.15Å; G15-Y18 PolarHBondContact O-N 3.39Å; G15-P61 WeakPolarHBondContact O-CB 3.2Å; G15-P61 WeakPolarHBondContact O-CG 2.95Å
16G87.5Confident88.6Confident0 Ų052 Ų520%028%0.277CS..Iπ-helixtrans-66.7-15.6172.500000113.2N11 M12 Y18 V19 F20N11-G16 PolarHBondContact O-N 3.08Å; M12-G16 PolarHBondContact O-N 2.71Å; G16-Y18 VanDerWaalsContact C-N 3.27Å; G16-Y18 PolarHBondContact O-N 2.75Å; G16-V19 PolarHBondContact O-N 3.45Å; G16-F20 WeakPolarHBondContact O-CB 3.48Å; G16-F20 PolarHBondContact O-N 2.97Å
17D90Very high88.3Confident80 Ų8055.5 Ų55.543%0.42830%0.302SS..Hα-helixtrans-59.8-37.4174.267.2-61.6000111.9M12 G15 V19 F20 N21M12-D17 PolarHBondContact O-N 3.21Å; G15-D17 VanDerWaalsContact C-OD1 3.25Å; G15-D17 WeakPolarHBondContact CA-OD1 3.4Å; G15-D17 PolarHBondContact O-N 3.15Å; D17-V19 VanDerWaalsContact C-N 3.34Å; D17-V19 PolarHBondContact O-N 3.49Å; D17-F20 PolarHBondContact O-N 2.84Å; D17-N21 WeakPolarHBondContact O-CB 3.16Å; D17-N21 PolarHBondContact O-N 2.71Å; D17-N21 PolarHBondContact O-ND2 2.77Å
18Y90.6Very high88.2Confident100 Ų10060.8 Ų60.839%0.39233%0.331SS..Hα-helixtrans-60.3-46.6175.5177.4-96.1000111.1G15 G16 N21 Q22 P61 E62G15-Y18 PolarHBondContact O-N 3.39Å; G16-Y18 VanDerWaalsContact C-N 3.27Å; G16-Y18 PolarHBondContact O-N 2.75Å; Y18-N21 PolarHBondContact O-N 2.93Å; Y18-Q22 HydrophobicContact CE1-CG 4.19Å; Y18-Q22 WeakPolarHBondContact O-CG 3.48Å; Y18-Q22 PolarHBondContact O-N 2.83Å; Y18-Q22 VanDerWaalsContact O-N 3.15Å; Y18-P61 HydrophobicContact CD1-CB 3.76Å; Y18-P61 HydrophobicContact CG-CB 4.25Å; Y18-E62 HydrophobicContact CE1-CG 4.24Å
19V91.9Very high88.3Confident0 Ų061.2 Ų61.20%033%0.333CS..Hα-helixtrans-66-44.8179.8-1710000110.7F7 G16 D17 N21 Q22 L23 P61 L64 L65 I68F7-V19 HydrophobicContact CE1-CB 4.06Å; F7-V19 HydrophobicContact CE1-CG1 3.98Å; F7-V19 HydrophobicContact CZ-CB 4.05Å; F7-V19 HydrophobicContact CZ-CG1 3.59Å; G16-V19 PolarHBondContact O-N 3.45Å; D17-V19 VanDerWaalsContact C-N 3.34Å; D17-V19 PolarHBondContact O-N 3.49Å; V19-N21 PolarHBondContact O-N 2.75Å; V19-Q22 PolarHBondContact O-N 3.49Å; V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.46Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 3.16Å; V19-P61 HydrophobicContact CG2-CB 3.89Å; V19-P61 WeakPolarHBondContact CG2-O 3.28Å; V19-L64 HydrophobicContact CG1-CG 4.48Å; V19-L64 HydrophobicContact CG2-CB 4.38Å; V19-L64 HydrophobicContact CG2-CD2 4.2Å; V19-L64 HydrophobicContact CG2-CG 4.44Å; V19-L65 HydrophobicContact CG1-CB 4Å; V19-L65 HydrophobicContact CG1-CD1 3.68Å; V19-L65 HydrophobicContact CG1-CG 4.46Å; V19-L65 HydrophobicContact CG2-CB 4.43Å; V19-I68 HydrophobicContact CG1-CD1 3.71Å
20F91.6Very high88.6Confident26 Ų2660.4 Ų60.411%0.11433%0.33CS..Hα-helixtrans-56.7-49.4177.5-175-84.2000111.4F7 M12 G16 D17 Q22 L23 E24 V31 E33F7-F20 HydrophobicContact CB-CD2 4.25Å; F7-F20 AromaticContact CD2-CD2 3.81Å; F7-F20 HydrophobicContact CD2-CD2 3.81Å; F7-F20 HydrophobicContact CE2-CD2 4.46Å; F7-F20 HydrophobicContact CG-CD2 4.15Å; M12-F20 HydrophobicContact SD-CB 4.11Å; M12-F20 HydrophobicContact SD-CD2 3.67Å; M12-F20 HydrophobicContact SD-CE2 4.21Å; M12-F20 HydrophobicContact SD-CG 3.86Å; G16-F20 WeakPolarHBondContact O-CB 3.48Å; G16-F20 PolarHBondContact O-N 2.97Å; D17-F20 PolarHBondContact O-N 2.84Å; F20-Q22 VanDerWaalsContact C-N 3.33Å; F20-Q22 PolarHBondContact O-N 3.04Å; F20-L23 PolarHBondContact O-N 3.29Å; F20-E24 VanDerWaalsContact CE1-OE2 3.26Å; F20-E24 WeakPolarHBondContact CE1-OE2 3.32Å; F20-E24 WeakPolarHBondContact O-CB 3.35Å; F20-E24 PolarHBondContact O-N 3.01Å; F20-V31 HydrophobicContact CD2-CG1 3.36Å; F20-V31 HydrophobicContact CE2-CB 4.29Å; F20-V31 HydrophobicContact CE2-CG1 3.35Å; F20-V31 HydrophobicContact CG-CG1 4.13Å; F20-V31 HydrophobicContact CZ-CG1 4.1Å; F20-E33 HydrophobicContact CE2-CB 4.04Å; F20-E33 HydrophobicContact CZ-CB 4.45Å
21N92Very high89Confident79 Ų7958.9 Ų58.942%0.42232%0.318SS..Hα-helixtrans-61.4-39.6178.2-77.5-62.7000112.4D17 Y18 V19 N25D17-N21 WeakPolarHBondContact O-CB 3.16Å; D17-N21 PolarHBondContact O-N 2.71Å; D17-N21 PolarHBondContact O-ND2 2.77Å; Y18-N21 PolarHBondContact O-N 2.93Å; V19-N21 PolarHBondContact O-N 2.75Å; N21-N25 PolarHBondContact O-N 3.42Å; N21-N25 PolarHBondContact O-ND2 2.95Å
22Q92.3Very high89.4Confident87 Ų8762.3 Ų62.341%0.40734%0.336SS..Hα-helixtrans-63.5-46.5177.6-69.6-67.6-47.600111.2Y18 V19 F20 N25 L65Y18-Q22 HydrophobicContact CE1-CG 4.19Å; Y18-Q22 WeakPolarHBondContact O-CG 3.48Å; Y18-Q22 PolarHBondContact O-N 2.83Å; Y18-Q22 VanDerWaalsContact O-N 3.15Å; V19-Q22 PolarHBondContact O-N 3.49Å; F20-Q22 VanDerWaalsContact C-N 3.33Å; F20-Q22 PolarHBondContact O-N 3.04Å; Q22-N25 PolarHBondContact O-N 3.15Å; Q22-L65 HydrophobicContact CB-CD1 3.95Å; Q22-L65 HydrophobicContact CB-CD2 3.92Å; Q22-L65 HydrophobicContact CG-CD2 3.92Å
23L91.8Very high89.6Confident0 Ų067.1 Ų67.10%036%0.358CS..Hα-helixtrans-71.4-32-179.5-63.8171.8000112.5V5 F7 V19 F20 N25 D26 V29 V31 L65 I68 Y69V5-L23 HydrophobicContact CB-CD1 4.25Å; V5-L23 HydrophobicContact CG1-CD1 3.93Å; V5-L23 HydrophobicContact CG2-CD1 4.35Å; F7-L23 HydrophobicContact CE2-CD1 3.74Å; F7-L23 HydrophobicContact CZ-CD1 3.78Å; V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.46Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 3.16Å; F20-L23 PolarHBondContact O-N 3.29Å; L23-N25 PolarHBondContact O-N 3.28Å; L23-D26 WeakPolarHBondContact O-CB 3.45Å; L23-D26 PolarHBondContact O-N 2.84Å; L23-V29 HydrophobicContact CD2-CG1 4.35Å; L23-V29 HydrophobicContact CD2-CG2 4.48Å; L23-V31 VanDerWaalsContact C-CG2 3.46Å; L23-V31 HydrophobicContact CB-CG2 3.34Å; L23-L65 HydrophobicContact CD1-CD1 4.39Å; L23-L65 HydrophobicContact CD2-CD1 3.77Å; L23-L65 HydrophobicContact CG-CD1 3.78Å; L23-I68 HydrophobicContact CD1-CD1 4.11Å; L23-I68 HydrophobicContact CD1-CG2 4.14Å; L23-I68 HydrophobicContact CD2-CG2 4.35Å; L23-Y69 HydrophobicContact CD2-CE1 4.16Å; L23-Y69 HydrophobicContact CD2-CE2 4Å
24E90.9Very high89.8Confident125 Ų12567.4 Ų67.458%0.58434%0.34SS*.Hα-helixtrans-63.8-28.5175.9-170.2-174.194.900112F20 D26F20-E24 VanDerWaalsContact CE1-OE2 3.26Å; F20-E24 WeakPolarHBondContact CE1-OE2 3.32Å; F20-E24 WeakPolarHBondContact O-CB 3.35Å; F20-E24 PolarHBondContact O-N 3.01Å; E24-D26 VanDerWaalsContact C-N 3.25Å; E24-D26 PolarHBondContact O-N 2.88Å
25N91.3Very high89.8Confident131 Ų13164.5 Ų64.570%0.70134%0.342SS*.THydrogen-bonded Turntrans-78.7-7.7174.2-77.1-87.2000113.2N21 Q22 L23N21-N25 PolarHBondContact O-N 3.42Å; N21-N25 PolarHBondContact O-ND2 2.95Å; Q22-N25 PolarHBondContact O-N 3.15Å; L23-N25 PolarHBondContact O-N 3.28Å
26D90.4Very high89.7Confident37 Ų3767.2 Ų67.220%0.19836%0.357CS..  trans-97.2111.5-176.3-159.6-34.1000110.7L23 E24 D28 V29 Y69L23-D26 WeakPolarHBondContact O-CB 3.45Å; L23-D26 PolarHBondContact O-N 2.84Å; E24-D26 VanDerWaalsContact C-N 3.25Å; E24-D26 PolarHBondContact O-N 2.88Å; D26-D28 PolarHBondContact O-N 3.3Å; D26-D28 PolarHBondContact OD1-N 3.02Å; D26-D28 VanDerWaalsContact OD1-N 3.16Å; D26-V29 HydrophobicContact CB-CB 4.48Å; D26-V29 HydrophobicContact CB-CG2 4.35Å; D26-V29 PolarHBondContact O-N 3.29Å; D26-Y69 VanDerWaalsContact OD2-CE1 3.32Å; D26-Y69 WeakPolarHBondContact OD2-CE1 3.49Å; D26-Y69 PolarHBondContact OD2-OH 3.01Å
27P87Confident89.5Confident107 Ų10768.1 Ų68.170%0.69536%0.362SS*.THydrogen-bonded Turntrans-70.7-12.1-177.730.8-36.3000113.6N2N2-P27 PolarHBondContact ND2-O 3.4Å; N2-P27 VanDerWaalsContact ND2-O 3.12Å
28D88.5Confident89.2Confident111 Ų11169.9 Ų69.959%0.59438%0.376SS*.THydrogen-bonded Turntrans-90.2-2178.6-69.4-59.3000112.5N2 P3 D26N2-D28 WeakPolarHBondContact CB-O 2.81Å; P3-D28 WeakPolarHBondContact CD-O 3.26Å; P3-D28 WeakPolarHBondContact CG-O 3.24Å; D26-D28 PolarHBondContact O-N 3.3Å; D26-D28 PolarHBondContact OD1-N 3.02Å; D26-D28 VanDerWaalsContact OD1-N 3.16Å
29V90.7Very high88.7Confident11 Ų1168.1 Ų68.17%0.06737%0.371CS..  trans-128.1130.9-178.7-172.30000110.9P3 V5 L23 D26 V31 Y69 I72P3-V29 HydrophobicContact CG-CB 4.35Å; P3-V29 HydrophobicContact CG-CG1 4.24Å; P3-V29 HydrophobicContact CG-CG2 4.03Å; V5-V29 HydrophobicContact CB-CG1 4.3Å; V5-V29 HydrophobicContact CG2-CG1 3.45Å; V5-V29 VanDerWaalsContact CG2-CG1 3.45Å; L23-V29 HydrophobicContact CD2-CG1 4.35Å; L23-V29 HydrophobicContact CD2-CG2 4.48Å; D26-V29 HydrophobicContact CB-CB 4.48Å; D26-V29 HydrophobicContact CB-CG2 4.35Å; D26-V29 PolarHBondContact O-N 3.29Å; V29-V31 HydrophobicContact CG1-CG2 4.43Å; V29-Y69 HydrophobicContact CG2-CE1 4.47Å; V29-I72 HydrophobicContact CG1-CD1 4.15Å; V29-I72 HydrophobicContact CG2-CD1 4.02Å
30D91.8Very high88.1Confident76 Ų7672.3 Ų72.341%0.40640%0.399SS..EExtended strand (participates in β ladder)trans-92.8111.5174.2-73.7-30.5000109.4N2 P3 I4 V5N2-D30 HydrophobicContact CB-CB 4.46Å; N2-D30 WeakPolarHBondContact CB-OD2 3.24Å; P3-D30 PolarHBondContact O-N 2.96Å; I4-D30 CarbonylContact C-O 3.57Å; I4-D30 VanDerWaalsContact CA-O 3.27Å; I4-D30 WeakPolarHBondContact CA-O 3.22Å; I4-D30 HydrophobicContact CG1-CB 4.13Å; V5-D30 PolarHBondContact N-O 2.96Å
31V92Very high87.6Confident28 Ų2873.9 Ų73.917%0.1742%0.423CS..EExtended strand (participates in β ladder)trans-97.3130.1179.2-162.90000110.5V5 F7 F20 L23 V29V5-V31 CarbonylContact O-C 3.46Å; V5-V31 WeakPolarHBondContact O-CA 3.44Å; F7-V31 HydrophobicContact CD2-CG1 3.75Å; F7-V31 HydrophobicContact CE2-CG1 3.86Å; F20-V31 HydrophobicContact CD2-CG1 3.36Å; F20-V31 HydrophobicContact CE2-CB 4.29Å; F20-V31 HydrophobicContact CE2-CG1 3.35Å; F20-V31 HydrophobicContact CG-CG1 4.13Å; F20-V31 HydrophobicContact CZ-CG1 4.1Å; L23-V31 VanDerWaalsContact C-CG2 3.46Å; L23-V31 HydrophobicContact CB-CG2 3.34Å; V29-V31 HydrophobicContact CG1-CG2 4.43Å
32L91.1Very high87.2Confident72 Ų7271.8 Ų71.838%0.37741%0.411SS..EExtended strand (participates in β ladder)trans-122.7138.5177.7-63.4-180000111I4 V5 E6 F7 Y34I4-L32 HydrophobicContact CG2-CD1 3.49Å; I4-L32 VanDerWaalsContact CG2-CD1 3.49Å; I4-L32 HydrophobicContact CG2-CG 3.95Å; V5-L32 PolarHBondContact O-N 2.95Å; E6-L32 CarbonylContact C-O 3.58Å; E6-L32 WeakPolarHBondContact CA-O 3.46Å; E6-L32 HydrophobicContact CG-CB 4.34Å; F7-L32 PolarHBondContact N-O 3.17Å; L32-Y34 HydrophobicContact CB-CD2 4.41Å; L32-Y34 HydrophobicContact CB-CE2 3.76Å; L32-Y34 HydrophobicContact CD1-CE2 4.29Å
33E89.3Confident86.7Confident125 Ų12568.4 Ų68.458%0.58440%0.397SS*.EExtended strand (participates in β ladder)trans-104136.3172.759.4172.4-177.700111.5M12 F20M12-E33 HydrophobicContact CE-CB 4Å; F20-E33 HydrophobicContact CE2-CB 4.04Å; F20-E33 HydrophobicContact CZ-CB 4.45Å
34Y87.6Confident86.2Confident96 Ų9672.8 Ų72.838%0.37643%0.428SS..EExtended strand (participates in β ladder)trans-127.6151174.9-69-89000111E6 F7 C8 L9 L32 L37E6-Y34 HydrophobicContact CB-CD2 3.87Å; E6-Y34 HydrophobicContact CB-CE2 3.69Å; E6-Y34 HydrophobicContact CG-CD2 4.39Å; E6-Y34 HydrophobicContact CG-CE2 3.69Å; E6-Y34 WeakPolarHBondContact OE1-CE2 2.84Å; E6-Y34 PolarHBondContact OE1-OH 3.48Å; F7-Y34 PolarHBondContact O-N 3.46Å; C8-Y34 CarbonylContact C-O 3.44Å; C8-Y34 VanDerWaalsContact CA-O 3.24Å; C8-Y34 WeakPolarHBondContact CA-O 3.49Å; L9-Y34 PolarHBondContact N-O 3.4Å; L32-Y34 HydrophobicContact CB-CD2 4.41Å; L32-Y34 HydrophobicContact CB-CE2 3.76Å; L32-Y34 HydrophobicContact CD1-CE2 4.29Å; Y34-L37 HydrophobicContact CD2-CD2 3.79Å; Y34-L37 HydrophobicContact CG-CD2 3.89Å
35G83.4Confident85.8Confident49 Ų4970.7 Ų70.751%0.50543%0.432SS..SBendtrans-59.3-51.1175.600000112.6
36C83Confident85.4Confident71 Ų7165.5 Ų65.548%0.4841%0.41SS..  trans-152.3129176.7-176.90000108.7T38C36-T38 PolarHBondContact O-N 3.38Å; C36-T38 PolarHBondContact SG-N 3.38Å
37L83.6Confident85.4Confident19 Ų1964.4 Ų64.410%0.09940%0.404CS..  trans-84.58.4174.2-65.9169.7000112.1E6 C8 Y34 H39 Y48 L50E6-L37 HydrophobicContact CB-CD1 4.46Å; E6-L37 HydrophobicContact CB-CD2 4.32Å; C8-L37 HydrophobicContact CB-CB 4.35Å; C8-L37 HydrophobicContact CB-CD1 4.13Å; C8-L37 HydrophobicContact CB-CG 3.94Å; Y34-L37 HydrophobicContact CD2-CD2 3.79Å; Y34-L37 HydrophobicContact CG-CD2 3.89Å; L37-H39 PolarHBondContact O-CD2 3Å; L37-H39 PolarHBondContact O-N 2.8Å; L37-Y48 HydrophobicContact CD1-CE2 4.22Å; L37-L50 HydrophobicContact CB-CD1 4.32Å; L37-L50 HydrophobicContact CD1-CD1 3.86Å; L37-L50 HydrophobicContact CD1-CG 3.98Å; L37-L50 HydrophobicContact CD2-CD1 3.91Å; L37-L50 HydrophobicContact CG-CD1 4.24Å
38T82.1Confident85.6Confident117 Ų11759.4 Ų59.472%0.71837%0.371SS*.SBendtrans60.53.5-178.267.40000116.2C36 C40C36-T38 PolarHBondContact O-N 3.38Å; C36-T38 PolarHBondContact SG-N 3.38Å; T38-C40 PolarHBondContact O-N 3.09Å
39H81Confident85.8Confident64 Ų6454.1 Ų54.130%0.29634%0.343SS..  trans-83.154171.9-66.6-80.5000112L37 G41 I42 C43 Y48L37-H39 PolarHBondContact O-CD2 3Å; L37-H39 PolarHBondContact O-N 2.8Å; H39-G41 PolarHBondContact O-N 3.29Å; H39-G41 VanDerWaalsContact O-N 3.16Å; H39-I42 HydrophobicContact CB-CB 4.3Å; H39-I42 HydrophobicContact CB-CD1 4.27Å; H39-I42 HydrophobicContact CB-CG1 4.42Å; H39-I42 PolarHBondContact O-N 3.43Å; H39-I42 VanDerWaalsContact O-N 3.14Å; H39-C43 VanDerWaalsContact O-CB 3.28Å; H39-C43 WeakPolarHBondContact O-CB 3.24Å; H39-C43 PolarHBondContact O-N 3.1Å; H39-Y48 HydrophobicContact CB-CE2 3.73Å
40C78.6Confident85.8Confident87 Ų8754.2 Ų54.259%0.58834%0.343SS*.Hα-helixtrans-56.8-34.1-174.7-63.10000113.5T38 S44T38-C40 PolarHBondContact O-N 3.09Å; C40-S44 VanDerWaalsContact O-CB 3.27Å; C40-S44 WeakPolarHBondContact O-CB 3.45Å; C40-S44 PolarHBondContact O-N 3.22Å
41G82.2Confident85.8Confident60 Ų6050.6 Ų50.662%0.61932%0.324SS*.Hα-helixtrans-63.1-47.4177.500000112.4H39 S44 A45H39-G41 PolarHBondContact O-N 3.29Å; H39-G41 VanDerWaalsContact O-N 3.16Å; G41-S44 PolarHBondContact O-N 3.41Å; G41-A45 PolarHBondContact O-N 3.39Å
42I83.2Confident85.7Confident34 Ų3452.5 Ų52.517%0.17433%0.332CS..Hα-helixtrans-71.8-45.3-179.3-52.2-178000110H39 S44 A45 G46 Y48 I55 E57H39-I42 HydrophobicContact CB-CB 4.3Å; H39-I42 HydrophobicContact CB-CD1 4.27Å; H39-I42 HydrophobicContact CB-CG1 4.42Å; H39-I42 PolarHBondContact O-N 3.43Å; H39-I42 VanDerWaalsContact O-N 3.14Å; I42-S44 PolarHBondContact O-N 3.38Å; I42-S44 VanDerWaalsContact O-N 3.14Å; I42-A45 PolarHBondContact O-N 3.43Å; I42-G46 PolarHBondContact O-N 2.92Å; I42-G46 VanDerWaalsContact O-N 3.11Å; I42-Y48 HydrophobicContact CB-CD1 4.39Å; I42-Y48 HydrophobicContact CB-CD2 4.49Å; I42-Y48 HydrophobicContact CB-CG 4.28Å; I42-Y48 HydrophobicContact CG2-CD1 3.88Å; I42-Y48 HydrophobicContact CG2-CD2 3.94Å; I42-Y48 HydrophobicContact CG2-CG 3.49Å; I42-Y48 VanDerWaalsContact CG2-CG 3.49Å; I42-I55 HydrophobicContact CD1-CD1 3.71Å; I42-I55 HydrophobicContact CD1-CG2 3.86Å; I42-I55 HydrophobicContact CG2-CG2 4.42Å; I42-E57 HydrophobicContact CG2-CG 3.92Å; I42-E57 WeakPolarHBondContact CG2-OE2 3.41Å
43C81.8Confident85.5Confident16 Ų1651.3 Ų51.311%0.10834%0.338CS..Hα-helixtrans-55.3-33173-169.70000112.5S10 K14 H39 Y48S10-C43 WeakPolarHBondContact CB-SG 3.31Å; K14-C43 WeakPolarHBondContact CE-O 3.42Å; K14-C43 PolarHBondContact NZ-O 3.48Å; H39-C43 VanDerWaalsContact O-CB 3.28Å; H39-C43 WeakPolarHBondContact O-CB 3.24Å; H39-C43 PolarHBondContact O-N 3.1Å; C43-Y48 HydrophobicContact CB-CD1 4.28Å; C43-Y48 HydrophobicContact CB-CE1 3.4Å; C43-Y48 VanDerWaalsContact CB-CE1 3.4Å
44S80.9Confident85.6Confident92 Ų9249 Ų4964%0.64333%0.33SS*.Hα-helixtrans-78.4-35.4176.3-169.40000112.4K14 C40 G41 I42K14-S44 PolarHBondContact NZ-O 2.88Å; C40-S44 VanDerWaalsContact O-CB 3.27Å; C40-S44 WeakPolarHBondContact O-CB 3.45Å; C40-S44 PolarHBondContact O-N 3.22Å; G41-S44 PolarHBondContact O-N 3.41Å; I42-S44 PolarHBondContact O-N 3.38Å; I42-S44 VanDerWaalsContact O-N 3.14Å
45A81.9Confident85.8Confident82 Ų8248 Ų4868%0.67833%0.33SS*.Hα-helixtrans-70.8-43.2-175.200000112.8G41 I42G41-A45 PolarHBondContact O-N 3.39Å; I42-A45 PolarHBondContact O-N 3.43Å
46G84.1Confident86.2Confident22 Ų2246.1 Ų46.123%0.22731%0.309CS..SBendtrans-168.5-156.1-173.900000112.8I42I42-G46 PolarHBondContact O-N 2.92Å; I42-G46 VanDerWaalsContact O-N 3.11Å
47L90.2Very high86.6Confident14 Ų1447.7 Ų47.77%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-89.9133.9172.7-63.9170.2000109.9N11 K14 E57 G58 P61 L64N11-L47 VanDerWaalsContact OD1-CA 3.22Å; N11-L47 WeakPolarHBondContact OD1-CA 3.27Å; K14-L47 HydrophobicContact CB-CD2 3.67Å; L47-E57 WeakPolarHBondContact O-CA 3.49Å; L47-G58 WeakPolarHBondContact CB-O 3.32Å; L47-G58 PolarHBondContact N-O 3.45Å; L47-G58 PolarHBondContact O-N 3.4Å; L47-P61 HydrophobicContact CD1-CB 4.34Å; L47-P61 HydrophobicContact CD1-CG 3.71Å; L47-L64 HydrophobicContact CB-CD2 3.83Å
48Y91.2Very high87Confident1 Ų147.2 Ų47.20%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-147.1156175.880.1-69000112.5C8 N11 L37 H39 I42 C43 I55 V56C8-Y48 PolarHBondContact SG-OH 3.31Å; N11-Y48 HydrophobicContact CB-CE1 4.29Å; N11-Y48 PolarHBondContact ND2-O 2.8Å; N11-Y48 PolarHBondContact OD1-N 2.85Å; L37-Y48 HydrophobicContact CD1-CE2 4.22Å; H39-Y48 HydrophobicContact CB-CE2 3.73Å; I42-Y48 HydrophobicContact CB-CD1 4.39Å; I42-Y48 HydrophobicContact CB-CD2 4.49Å; I42-Y48 HydrophobicContact CB-CG 4.28Å; I42-Y48 HydrophobicContact CG2-CD1 3.88Å; I42-Y48 HydrophobicContact CG2-CD2 3.94Å; I42-Y48 HydrophobicContact CG2-CG 3.49Å; I42-Y48 VanDerWaalsContact CG2-CG 3.49Å; C43-Y48 HydrophobicContact CB-CD1 4.28Å; C43-Y48 HydrophobicContact CB-CE1 3.4Å; C43-Y48 VanDerWaalsContact CB-CE1 3.4Å; Y48-I55 HydrophobicContact CD2-CG2 4.43Å; Y48-V56 CarbonylContact C-O 3.52Å; Y48-V56 WeakPolarHBondContact CA-O 3.49Å; Y48-V56 WeakPolarHBondContact CB-O 3.43Å
49A92Very high87.2Confident0 Ų048.8 Ų48.80%031%0.313CS..EExtended strand (participates in β ladder)trans-136.2159170.600000109.5V5 F7 V56 L64 I68V5-A49 HydrophobicContact CG1-CB 3.95Å; F7-A49 HydrophobicContact CD1-CB 4.09Å; F7-A49 HydrophobicContact CE1-CB 3.67Å; F7-A49 HydrophobicContact CE2-CB 4.32Å; F7-A49 HydrophobicContact CZ-CB 3.79Å; A49-V56 PolarHBondContact N-O 2.87Å; A49-V56 PolarHBondContact O-N 2.91Å; A49-L64 HydrophobicContact CB-CD1 4.49Å; A49-I68 HydrophobicContact CB-CD1 3.76Å; A49-I68 HydrophobicContact CB-CG1 4.33Å
50L91.7Very high87.6Confident13 Ų1347.6 Ų47.67%0.06831%0.312CS..EExtended strand (participates in β ladder)trans-98.9128.9167.2-62.2174.3000109.2V5 E6 L37 D54 I55V5-L50 CarbonylContact C-O 3.52Å; V5-L50 VanDerWaalsContact CA-O 3.26Å; V5-L50 WeakPolarHBondContact CA-O 3.12Å; E6-L50 HydrophobicContact CB-CB 4.14Å; E6-L50 PolarHBondContact N-O 3.31Å; E6-L50 PolarHBondContact O-N 3.17Å; L37-L50 HydrophobicContact CB-CD1 4.32Å; L37-L50 HydrophobicContact CD1-CD1 3.86Å; L37-L50 HydrophobicContact CD1-CG 3.98Å; L37-L50 HydrophobicContact CD2-CD1 3.91Å; L37-L50 HydrophobicContact CG-CD1 4.24Å; L50-D54 CarbonylContact C-O 3.57Å; L50-D54 VanDerWaalsContact CA-O 3.22Å; L50-D54 WeakPolarHBondContact CA-O 3.22Å; L50-I55 HydrophobicContact CD2-CB 4.22Å; L50-I55 HydrophobicContact CD2-CG1 3.46Å; L50-I55 VanDerWaalsContact CD2-CG1 3.46Å
51V92.1Very high88.2Confident1 Ų145.2 Ų45.21%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-113.8105.9175.7-176.60000107.6I4 V5 G53 D54 V56 I68 I72I4-V51 CarbonylContact O-C 3.48Å; I4-V51 WeakPolarHBondContact O-CA 3.25Å; V5-V51 HydrophobicContact CG1-CG2 4.23Å; V5-V51 HydrophobicContact CG2-CG1 4.39Å; V5-V51 HydrophobicContact CG2-CG2 4.23Å; V51-G53 PolarHBondContact O-N 3.32Å; V51-G53 VanDerWaalsContact O-N 3.17Å; V51-D54 PolarHBondContact N-O 3.02Å; V51-D54 WeakPolarHBondContact O-CB 3.39Å; V51-D54 PolarHBondContact O-N 3.49Å; V51-V56 HydrophobicContact CB-CG2 4.12Å; V51-V56 HydrophobicContact CG2-CB 4.24Å; V51-V56 HydrophobicContact CG2-CG2 3.61Å; V51-I68 HydrophobicContact CG2-CB 4.32Å; V51-I68 HydrophobicContact CG2-CG1 3.98Å; V51-I68 HydrophobicContact CG2-CG2 3.91Å; V51-I72 HydrophobicContact CG1-CD1 4.4Å; V51-I72 HydrophobicContact CG1-CG1 3.61Å
52N88.8Confident88.6Confident67 Ų6748.4 Ų48.436%0.35829%0.294SS..THydrogen-bonded Turntrans49.535.2-170.9-64.5-51.1000114.1I4 W76I4-N52 PolarHBondContact N-OD1 2.88Å; I4-N52 PolarHBondContact O-N 3.35Å; N52-W76 VanDerWaalsContact ND2-CE2 3.33Å; N52-W76 VanDerWaalsContact ND2-CZ2 3.28Å; N52-W76 WeakPolarHBondContact ND2-CZ2 3.27Å; N52-W76 PolarHBondContact ND2-NE1 2.98Å
53G87.8Confident89.1Confident48 Ų4850 Ų5050%0.49530%0.301SS..THydrogen-bonded Turntrans88.2-6.1-177.500000115.3V51V51-G53 PolarHBondContact O-N 3.32Å; V51-G53 VanDerWaalsContact O-N 3.17Å
54D91.3Very high89.6Confident76 Ų7649.3 Ų49.341%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-85.3138.2171.3-69.2-48000111.1L50 V51 H71L50-D54 CarbonylContact C-O 3.57Å; L50-D54 VanDerWaalsContact CA-O 3.22Å; L50-D54 WeakPolarHBondContact CA-O 3.22Å; V51-D54 PolarHBondContact N-O 3.02Å; V51-D54 WeakPolarHBondContact O-CB 3.39Å; V51-D54 PolarHBondContact O-N 3.49Å; D54-H71 WeakPolarHBondContact CB-NE2 3.25Å; D54-H71 IonicContact OD2-CE1 3.52Å; D54-H71 IonicContact OD2-NE2 2.96Å; D54-H71 PolarHBondContact OD2-NE2 3.03Å
55I90.7Very high90.2Very high75 Ų7545.9 Ų45.939%0.38527%0.27SS..EExtended strand (participates in β ladder)trans-82.1123.2179.8-58.4164.9000109.4I42 Y48 L50 E57I42-I55 HydrophobicContact CD1-CD1 3.71Å; I42-I55 HydrophobicContact CD1-CG2 3.86Å; I42-I55 HydrophobicContact CG2-CG2 4.42Å; Y48-I55 HydrophobicContact CD2-CG2 4.43Å; L50-I55 HydrophobicContact CD2-CB 4.22Å; L50-I55 HydrophobicContact CD2-CG1 3.46Å; L50-I55 VanDerWaalsContact CD2-CG1 3.46Å; I55-E57 HydrophobicContact CG2-CG 4.06Å
56V92.8Very high90.8Very high10 Ų1048.4 Ų48.46%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-118.3125.9173.5-176.50000108.8Y48 A49 V51 L64 N67 I68 H71Y48-V56 CarbonylContact C-O 3.52Å; Y48-V56 WeakPolarHBondContact CA-O 3.49Å; Y48-V56 WeakPolarHBondContact CB-O 3.43Å; A49-V56 PolarHBondContact N-O 2.87Å; A49-V56 PolarHBondContact O-N 2.91Å; V51-V56 HydrophobicContact CB-CG2 4.12Å; V51-V56 HydrophobicContact CG2-CB 4.24Å; V51-V56 HydrophobicContact CG2-CG2 3.61Å; V56-L64 HydrophobicContact CG1-CD1 4.23Å; V56-L64 WeakPolarHBondContact O-CD1 3.46Å; V56-N67 HydrophobicContact CG1-CB 3.54Å; V56-I68 HydrophobicContact CB-CG1 4.28Å; V56-I68 HydrophobicContact CG1-CG1 3.97Å; V56-H71 HydrophobicContact CG2-CB 3.9Å
57E91.8Very high91.2Very high103 Ų10350.2 Ų50.248%0.48127%0.272SS..EExtended strand (participates in β ladder)trans-113.3159-177.2-61-179.3-107.900110.9I42 L47 I55 N67I42-E57 HydrophobicContact CG2-CG 3.92Å; I42-E57 WeakPolarHBondContact CG2-OE2 3.41Å; L47-E57 WeakPolarHBondContact O-CA 3.49Å; I55-E57 HydrophobicContact CG2-CG 4.06Å; E57-N67 PolarHBondContact O-ND2 3.42Å
58G90.6Very high91.4Very high9 Ų949.5 Ų49.59%0.09327%0.269CS..EExtended strand (participates in β ladder)trans-159.5146.9171.200000112.1L47 S60L47-G58 WeakPolarHBondContact CB-O 3.32Å; L47-G58 PolarHBondContact N-O 3.45Å; L47-G58 PolarHBondContact O-N 3.4Å; G58-S60 VanDerWaalsContact C-N 3.3Å
59D86.3Confident91.4Very high151 Ų15153.4 Ų53.481%0.80728%0.284SS*.SBendtrans-77.7-20.1179.5-72.9-68.2000112E63D59-E63 VanDerWaalsContact CB-OE2 3.31Å; D59-E63 WeakPolarHBondContact CB-OE2 3.46Å; D59-E63 PolarHBondContact N-OE2 3.4Å
60S89.9Confident91.5Very high39 Ų3955.4 Ų55.427%0.27330%0.3SS..SBendtrans-134.5159.4175.867.60000111.8G58 E62 E63 L64G58-S60 VanDerWaalsContact C-N 3.3Å; S60-E62 PolarHBondContact O-N 2.86Å; S60-E63 PolarHBondContact O-N 2.9Å; S60-E63 VanDerWaalsContact OG-CB 3.27Å; S60-E63 WeakPolarHBondContact OG-CB 3.23Å; S60-E63 PolarHBondContact OG-N 2.84Å; S60-E63 VanDerWaalsContact OG-N 3.15Å; S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.37Å
61P90.8Very high91.5Very high37 Ų3756.9 Ų56.924%0.2431%0.307CS..Hα-helixtrans-57-38.2175.2-24.734000112.8G15 Y18 V19 L47 L65G15-P61 WeakPolarHBondContact O-CB 3.2Å; G15-P61 WeakPolarHBondContact O-CG 2.95Å; Y18-P61 HydrophobicContact CD1-CB 3.76Å; Y18-P61 HydrophobicContact CG-CB 4.25Å; V19-P61 HydrophobicContact CG2-CB 3.89Å; V19-P61 WeakPolarHBondContact CG2-O 3.28Å; L47-P61 HydrophobicContact CD1-CB 4.34Å; L47-P61 HydrophobicContact CD1-CG 3.71Å; P61-L65 WeakPolarHBondContact O-CB 3.44Å; P61-L65 PolarHBondContact O-N 3.24Å
62E91.5Very high91.4Very high126 Ų12657.7 Ų57.759%0.58931%0.311SS*.Hα-helixtrans-67-43.5178.8-63.6173.812700111.7Y18 S60 L65 Q66Y18-E62 HydrophobicContact CE1-CG 4.24Å; S60-E62 PolarHBondContact O-N 2.86Å; E62-L65 PolarHBondContact O-N 2.88Å; E62-Q66 WeakPolarHBondContact O-CG 3.22Å; E62-Q66 PolarHBondContact O-N 3.26Å
63E92.9Very high91.4Very high69 Ų6962.3 Ų62.332%0.32233%0.328SS..Hα-helixtrans-67-43.2176.5-176.5178.6-16200111.8D59 S60 L65 Q66 N67D59-E63 VanDerWaalsContact CB-OE2 3.31Å; D59-E63 WeakPolarHBondContact CB-OE2 3.46Å; D59-E63 PolarHBondContact N-OE2 3.4Å; S60-E63 PolarHBondContact O-N 2.9Å; S60-E63 VanDerWaalsContact OG-CB 3.27Å; S60-E63 WeakPolarHBondContact OG-CB 3.23Å; S60-E63 PolarHBondContact OG-N 2.84Å; S60-E63 VanDerWaalsContact OG-N 3.15Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 2.86Å; E63-Q66 PolarHBondContact O-N 3.02Å; E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 VanDerWaalsContact O-CG 3.23Å; E63-N67 PolarHBondContact O-N 2.85Å
64L92.9Very high91.3Very high0 Ų066.7 Ų66.70%034%0.336CS..Hα-helixtrans-58.3-44.4175.5177.262.2000110.6F7 V19 L47 A49 V56 S60 N67 I68F7-L64 HydrophobicContact CE1-CD2 4.26Å; V19-L64 HydrophobicContact CG1-CG 4.48Å; V19-L64 HydrophobicContact CG2-CB 4.38Å; V19-L64 HydrophobicContact CG2-CD2 4.2Å; V19-L64 HydrophobicContact CG2-CG 4.44Å; L47-L64 HydrophobicContact CB-CD2 3.83Å; A49-L64 HydrophobicContact CB-CD1 4.49Å; V56-L64 HydrophobicContact CG1-CD1 4.23Å; V56-L64 WeakPolarHBondContact O-CD1 3.46Å; S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.37Å; L64-N67 PolarHBondContact O-N 3.03Å; L64-I68 HydrophobicContact CD1-CD1 4.04Å; L64-I68 HydrophobicContact CD1-CG1 4.23Å; L64-I68 HydrophobicContact CG-CD1 3.84Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 WeakPolarHBondContact O-CD1 3.49Å; L64-I68 WeakPolarHBondContact O-CG1 3.31Å; L64-I68 PolarHBondContact O-N 3.16Å
65L93.1Very high90.9Very high20 Ų2066.2 Ų66.211%0.10534%0.335CS..Hα-helixtrans-59.8-46.8176.4-174.767.8000111.7V19 Q22 L23 P61 E62 E63 N67 I68 Y69V19-L65 HydrophobicContact CG1-CB 4Å; V19-L65 HydrophobicContact CG1-CD1 3.68Å; V19-L65 HydrophobicContact CG1-CG 4.46Å; V19-L65 HydrophobicContact CG2-CB 4.43Å; Q22-L65 HydrophobicContact CB-CD1 3.95Å; Q22-L65 HydrophobicContact CB-CD2 3.92Å; Q22-L65 HydrophobicContact CG-CD2 3.92Å; L23-L65 HydrophobicContact CD1-CD1 4.39Å; L23-L65 HydrophobicContact CD2-CD1 3.77Å; L23-L65 HydrophobicContact CG-CD1 3.78Å; P61-L65 WeakPolarHBondContact O-CB 3.44Å; P61-L65 PolarHBondContact O-N 3.24Å; E62-L65 PolarHBondContact O-N 2.88Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 2.86Å; L65-N67 PolarHBondContact O-N 3.14Å; L65-I68 PolarHBondContact O-N 3.03Å; L65-Y69 HydrophobicContact CD1-CD2 4.06Å; L65-Y69 HydrophobicContact CD1-CE2 3.58Å; L65-Y69 HydrophobicContact CD2-CE2 4.34Å; L65-Y69 HydrophobicContact CG-CD2 3.94Å; L65-Y69 HydrophobicContact CG-CE2 3.76Å; L65-Y69 VanDerWaalsContact O-CD2 3.25Å; L65-Y69 WeakPolarHBondContact O-CD2 3.42Å; L65-Y69 PolarHBondContact O-N 3.07Å
66Q93.9Very high90.1Very high136 Ų13666.3 Ų66.364%0.63633%0.331SS*.Hα-helixtrans-61-43.9177.1-74-179.7-25.200112E62 E63 I68 Y69 A70E62-Q66 WeakPolarHBondContact O-CG 3.22Å; E62-Q66 PolarHBondContact O-N 3.26Å; E63-Q66 PolarHBondContact O-N 3.02Å; Q66-I68 VanDerWaalsContact C-N 3.35Å; Q66-Y69 PolarHBondContact O-N 3.31Å; Q66-A70 WeakPolarHBondContact O-CB 3.18Å; Q66-A70 PolarHBondContact O-N 2.87Å
67N94Very high88.6Confident59 Ų5971.4 Ų71.432%0.31636%0.357SS..Hα-helixtrans-65-38.7178.4-69.8-12.3000111.4V56 E57 E63 L64 L65 A70 H71V56-N67 HydrophobicContact CG1-CB 3.54Å; E57-N67 PolarHBondContact O-ND2 3.42Å; E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 VanDerWaalsContact O-CG 3.23Å; E63-N67 PolarHBondContact O-N 2.85Å; L64-N67 PolarHBondContact O-N 3.03Å; L65-N67 PolarHBondContact O-N 3.14Å; N67-A70 PolarHBondContact O-N 3.25Å; N67-H71 VanDerWaalsContact O-CB 3.31Å; N67-H71 WeakPolarHBondContact O-CB 3.43Å; N67-H71 PolarHBondContact O-N 3.38Å
68I93Very high86.4Confident0 Ų078.7 Ų78.70%039%0.387CS..Hα-helixtrans-61.9-50.8174.7-70.9162.6000110.2V5 F7 V19 L23 A49 V51 V56 L64 L65 Q66 A70 H71 I72V5-I68 HydrophobicContact CG1-CD1 4.18Å; V5-I68 HydrophobicContact CG1-CG2 4.28Å; V5-I68 HydrophobicContact CG2-CG2 3.91Å; F7-I68 HydrophobicContact CE1-CD1 4.48Å; F7-I68 HydrophobicContact CZ-CD1 3.87Å; V19-I68 HydrophobicContact CG1-CD1 3.71Å; L23-I68 HydrophobicContact CD1-CD1 4.11Å; L23-I68 HydrophobicContact CD1-CG2 4.14Å; L23-I68 HydrophobicContact CD2-CG2 4.35Å; A49-I68 HydrophobicContact CB-CD1 3.76Å; A49-I68 HydrophobicContact CB-CG1 4.33Å; V51-I68 HydrophobicContact CG2-CB 4.32Å; V51-I68 HydrophobicContact CG2-CG1 3.98Å; V51-I68 HydrophobicContact CG2-CG2 3.91Å; V56-I68 HydrophobicContact CB-CG1 4.28Å; V56-I68 HydrophobicContact CG1-CG1 3.97Å; L64-I68 HydrophobicContact CD1-CD1 4.04Å; L64-I68 HydrophobicContact CD1-CG1 4.23Å; L64-I68 HydrophobicContact CG-CD1 3.84Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 WeakPolarHBondContact O-CD1 3.49Å; L64-I68 WeakPolarHBondContact O-CG1 3.31Å; L64-I68 PolarHBondContact O-N 3.16Å; L65-I68 PolarHBondContact O-N 3.03Å; Q66-I68 VanDerWaalsContact C-N 3.35Å; I68-A70 VanDerWaalsContact C-N 3.31Å; I68-A70 PolarHBondContact O-N 3.2Å; I68-H71 PolarHBondContact O-N 2.89Å; I68-I72 HydrophobicContact CG2-CD1 3.68Å; I68-I72 HydrophobicContact CG2-CG1 4.32Å; I68-I72 WeakPolarHBondContact O-CB 3.47Å; I68-I72 VanDerWaalsContact O-CG1 3.24Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 2.94Å
69Y92.2Very high86.2Confident83 Ų8382.2 Ų82.233%0.32540%0.402SS..Hα-helixtrans-62.5-37.9178.1-80.7-63.7000112.8L23 D26 V29 L65 Q66 K73L23-Y69 HydrophobicContact CD2-CE1 4.16Å; L23-Y69 HydrophobicContact CD2-CE2 4Å; D26-Y69 VanDerWaalsContact OD2-CE1 3.32Å; D26-Y69 WeakPolarHBondContact OD2-CE1 3.49Å; D26-Y69 PolarHBondContact OD2-OH 3.01Å; V29-Y69 HydrophobicContact CG2-CE1 4.47Å; L65-Y69 HydrophobicContact CD1-CD2 4.06Å; L65-Y69 HydrophobicContact CD1-CE2 3.58Å; L65-Y69 HydrophobicContact CD2-CE2 4.34Å; L65-Y69 HydrophobicContact CG-CD2 3.94Å; L65-Y69 HydrophobicContact CG-CE2 3.76Å; L65-Y69 VanDerWaalsContact O-CD2 3.25Å; L65-Y69 WeakPolarHBondContact O-CD2 3.42Å; L65-Y69 PolarHBondContact O-N 3.07Å; Q66-Y69 PolarHBondContact O-N 3.31Å; Y69-K73 VanDerWaalsContact O-CB 3.23Å; Y69-K73 WeakPolarHBondContact O-CB 3.38Å; Y69-K73 PolarHBondContact O-N 3.01Å
70A92.9Very high86.2Confident41 Ų4178.5 Ų78.534%0.33938%0.38SS..Hα-helixtrans-62.7-48.9174.400000111Q66 N67 I68 I72 K73 E74Q66-A70 WeakPolarHBondContact O-CB 3.18Å; Q66-A70 PolarHBondContact O-N 2.87Å; N67-A70 PolarHBondContact O-N 3.25Å; I68-A70 VanDerWaalsContact C-N 3.31Å; I68-A70 PolarHBondContact O-N 3.2Å; A70-I72 PolarHBondContact O-N 3.14Å; A70-K73 CarbonylContact O-C 3.5Å; A70-K73 WeakPolarHBondContact O-CB 3.41Å; A70-K73 PolarHBondContact O-N 3.11Å; A70-K73 VanDerWaalsContact O-N 3.15Å; A70-E74 WeakPolarHBondContact O-CG 3.36Å; A70-E74 PolarHBondContact O-N 2.98Å
71H92.7Very high86Confident44 Ų4480.7 Ų80.720%0.20439%0.386CS..Hα-helixtrans-61.2-46.2178.1-168.485000111.8D54 V56 N67 I68 K73 E74 T75D54-H71 WeakPolarHBondContact CB-NE2 3.25Å; D54-H71 IonicContact OD2-CE1 3.52Å; D54-H71 IonicContact OD2-NE2 2.96Å; D54-H71 PolarHBondContact OD2-NE2 3.03Å; V56-H71 HydrophobicContact CG2-CB 3.9Å; N67-H71 VanDerWaalsContact O-CB 3.31Å; N67-H71 WeakPolarHBondContact O-CB 3.43Å; N67-H71 PolarHBondContact O-N 3.38Å; I68-H71 PolarHBondContact O-N 2.89Å; H71-K73 VanDerWaalsContact C-N 3.33Å; H71-K73 PolarHBondContact O-N 3.33Å; H71-E74 PolarHBondContact O-N 2.84Å; H71-E74 VanDerWaalsContact O-N 3.16Å; H71-T75 PolarHBondContact NE2-OG1 2.94Å; H71-T75 WeakPolarHBondContact O-CB 3.22Å; H71-T75 PolarHBondContact O-N 3.15Å; H71-T75 PolarHBondContact O-OG1 3.3Å
72I90.4Very high85.7Confident19 Ų1983.3 Ų83.310%0.09740%0.395CS..Hα-helixtrans-55.2-51.6172.9-70.5171.3000109.6P3 V5 V29 V51 I68 A70 E74 T75 W76P3-I72 HydrophobicContact CB-CB 4.44Å; P3-I72 HydrophobicContact CB-CD1 3.77Å; P3-I72 HydrophobicContact CB-CG1 3.67Å; P3-I72 HydrophobicContact CB-CG2 4Å; P3-I72 HydrophobicContact CG-CB 4.5Å; P3-I72 HydrophobicContact CG-CD1 3.8Å; P3-I72 HydrophobicContact CG-CG1 4.04Å; P3-I72 HydrophobicContact CG-CG2 3.64Å; V5-I72 HydrophobicContact CG2-CD1 4.08Å; V29-I72 HydrophobicContact CG1-CD1 4.15Å; V29-I72 HydrophobicContact CG2-CD1 4.02Å; V51-I72 HydrophobicContact CG1-CD1 4.4Å; V51-I72 HydrophobicContact CG1-CG1 3.61Å; I68-I72 HydrophobicContact CG2-CD1 3.68Å; I68-I72 HydrophobicContact CG2-CG1 4.32Å; I68-I72 WeakPolarHBondContact O-CB 3.47Å; I68-I72 VanDerWaalsContact O-CG1 3.24Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 2.94Å; A70-I72 PolarHBondContact O-N 3.14Å; I72-E74 PolarHBondContact O-N 2.66Å; I72-T75 PolarHBondContact O-N 3.33Å; I72-W76 HydrophobicContact CG2-CG 4.28Å; I72-W76 WeakPolarHBondContact O-CB 3.48Å; I72-W76 PolarHBondContact O-N 3.42Å
73K87.6Confident85.3Confident163 Ų16380.6 Ų80.671%0.70938%0.383SS*.Hα-helixtrans-62-32.4-179.2-175.7178.6178.2-177.40112.3Y69 A70 H71 I77Y69-K73 VanDerWaalsContact O-CB 3.23Å; Y69-K73 WeakPolarHBondContact O-CB 3.38Å; Y69-K73 PolarHBondContact O-N 3.01Å; A70-K73 CarbonylContact O-C 3.5Å; A70-K73 WeakPolarHBondContact O-CB 3.41Å; A70-K73 PolarHBondContact O-N 3.11Å; A70-K73 VanDerWaalsContact O-N 3.15Å; H71-K73 VanDerWaalsContact C-N 3.33Å; H71-K73 PolarHBondContact O-N 3.33Å; K73-I77 WeakPolarHBondContact O-CD1 3.28Å; K73-I77 WeakPolarHBondContact O-CG1 3.34Å
74E86.8Confident84.8Confident141 Ų14181.4 Ų81.466%0.65939%0.387SS*.Hα-helixtrans-77.1-38.6178.2-74.2-17898.300112.9A70 H71 I72 I77A70-E74 WeakPolarHBondContact O-CG 3.36Å; A70-E74 PolarHBondContact O-N 2.98Å; H71-E74 PolarHBondContact O-N 2.84Å; H71-E74 VanDerWaalsContact O-N 3.16Å; I72-E74 PolarHBondContact O-N 2.66Å; E74-I77 VanDerWaalsContact O-CD1 3.31Å; E74-I77 WeakPolarHBondContact O-CD1 3.27Å; E74-I77 WeakPolarHBondContact O-CG1 3.41Å
75T81.2Confident84.3Confident66 Ų6687.2 Ų87.241%0.40542%0.415SS..Hα-helixtrans-81.7-31.8-178.9-51.90000112.5H71 I72 I77H71-T75 PolarHBondContact NE2-OG1 2.94Å; H71-T75 WeakPolarHBondContact O-CB 3.22Å; H71-T75 PolarHBondContact O-N 3.15Å; H71-T75 PolarHBondContact O-OG1 3.3Å; I72-T75 PolarHBondContact O-N 3.33Å; T75-I77 PolarHBondContact O-N 3.05Å
76W75.3Confident83.6Confident76 Ų7692.4 Ų92.429%0.28844%0.438SS..  trans-96.626.3-172.7-69.476000114.5M1 N2 P3 N52 I72 F78M1-W76 HydrophobicContact CB-CH2 3.94Å; M1-W76 HydrophobicContact CB-CZ3 3.99Å; M1-W76 HydrophobicContact CG-CH2 3.9Å; M1-W76 HydrophobicContact CG-CZ3 4.45Å; M1-W76 VanDerWaalsContact O-CH2 3.25Å; M1-W76 WeakPolarHBondContact O-CH2 3.5Å; M1-W76 WeakPolarHBondContact O-CZ3 3.41Å; M1-W76 HydrophobicContact SD-CH2 4.48Å; N2-W76 VanDerWaalsContact C-CH2 3.45Å; N2-W76 WeakPolarHBondContact O-CH2 3.31Å; P3-W76 HydrophobicContact CB-CZ2 4.05Å; N52-W76 VanDerWaalsContact ND2-CE2 3.33Å; N52-W76 VanDerWaalsContact ND2-CZ2 3.28Å; N52-W76 WeakPolarHBondContact ND2-CZ2 3.27Å; N52-W76 PolarHBondContact ND2-NE1 2.98Å; I72-W76 HydrophobicContact CG2-CG 4.28Å; I72-W76 WeakPolarHBondContact O-CB 3.48Å; I72-W76 PolarHBondContact O-N 3.42Å; W76-F78 PolarHBondContact O-N 2.83Å; W76-F78 VanDerWaalsContact O-N 3.08Å
77I60.3Low82.7Confident118 Ų11888.8 Ų88.861%0.60542%0.422SS*.  trans-79.423.5179.8-39.7164.7000113.2K73 E74 T75K73-I77 WeakPolarHBondContact O-CD1 3.28Å; K73-I77 WeakPolarHBondContact O-CG1 3.34Å; E74-I77 VanDerWaalsContact O-CD1 3.31Å; E74-I77 WeakPolarHBondContact O-CD1 3.27Å; E74-I77 WeakPolarHBondContact O-CG1 3.41Å; T75-I77 PolarHBondContact O-N 3.05Å
78F46.4Very low81.7Confident255 Ų25591.5 Ų91.5100%1.11843%0.432SS*.  trans-1390-178.3-65.8-75000112.1W76W76-F78 PolarHBondContact O-N 2.83Å; W76-F78 VanDerWaalsContact O-N 3.08Å

Retrieved 78 of 78 residues in 230.8 ms (Link to these results)

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