X5J4E1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4E1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 76 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
1S97.2Very high96.9Very high112 Ų11276 Ų7678%0.78348%0.48SS*.  0166.5049.80000108.6L59S1-L59 CarbonylContact C-O 3.6Å; S1-L59 VanDerWaalsContact CA-O 3.28Å; S1-L59 WeakPolarHBondContact CA-O 3.49Å
2C97.9Very high97Very high22 Ų2281.1 Ų81.115%0.14949%0.485CS..EExtended strand (participates in β ladder)trans-141.8112.6-177.5176.40000110W16 T58 L59 C76C2-W16 HydrophobicContact CB-CH2 3.79Å; C2-W16 HydrophobicContact CB-CZ2 3.87Å; C2-T58 CarbonylContact O-C 3.6Å; C2-T58 VanDerWaalsContact O-CA 3.29Å; C2-T58 WeakPolarHBondContact O-CA 3.33Å; C2-T58 WeakPolarHBondContact O-CG2 3.29Å; C2-L59 HydrophobicContact CB-CB 4.27Å; C2-L59 PolarHBondContact N-O 3.16Å; C2-L59 PolarHBondContact O-N 3.19Å; C2-C76 HydrophobicContact CB-CB 3.48Å; C2-C76 VanDerWaalsContact CB-CB 3.48Å; C2-C76 WeakPolarHBondContact CB-SG 3.23Å; C2-C76 WeakPolarHBondContact SG-CB 3.38Å; C2-C76 CovalentContact SG-SG 1.99Å; C2-C76 PolarHBondContact SG-SG 3.17Å
3A98Very high97.1Very high81 Ų8183.5 Ų83.567%0.66948%0.48SS*.EExtended strand (participates in β ladder)trans-91.8126.3177.200000109.6
4A97.3Very high97.2Very high18 Ų1878.9 Ų78.915%0.14945%0.453CS..  trans-97.3148179.600000111.2F7 F9 N57A4-F7 HydrophobicContact CB-CE1 3.76Å; A4-F7 HydrophobicContact CB-CZ 3.65Å; A4-F9 HydrophobicContact CB-CD2 3.54Å; A4-F9 HydrophobicContact CB-CE2 4.14Å; A4-F9 HydrophobicContact CB-CG 4.38Å; A4-N57 PolarHBondContact N-O 2.97Å
5S97.3Very high97.3Very high106 Ų10676.3 Ų76.374%0.74144%0.441SS*.  trans-148.7160.8173.263.90000110.2F7S5-F7 WeakPolarHBondContact O-CD1 3.38Å
6G97.1Very high97.3Very high89 Ų8972.3 Ų72.392%0.91842%0.416SS*.SBendtrans86.3-0.2178.200000115.6
7F95.1Very high97.4Very high90 Ų9070.1 Ų70.140%0.39540%0.404SS..SBendtrans-151.4165.7173.566.1-81.9000111.5A4 S5 F9 Y12 M14A4-F7 HydrophobicContact CB-CE1 3.76Å; A4-F7 HydrophobicContact CB-CZ 3.65Å; S5-F7 WeakPolarHBondContact O-CD1 3.38Å; F7-F9 HydrophobicContact CE2-CB 4.31Å; F7-F9 HydrophobicContact CE2-CD2 4.34Å; F7-F9 HydrophobicContact CZ-CD2 4.33Å; F7-F9 PolarHBondContact O-N 3.3Å; F7-Y12 AromaticContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CE2 4.07Å; F7-Y12 HydrophobicContact CD2-CG 4.47Å; F7-Y12 HydrophobicContact CE2-CD2 4.13Å; F7-M14 HydrophobicContact CE2-SD 4.13Å; F7-M14 HydrophobicContact CZ-CE 4.25Å; F7-M14 HydrophobicContact CZ-SD 4.18Å
8D96.2Very high97.4Very high80 Ų8067.4 Ų67.443%0.42839%0.387SS..  trans-76.986.4174.8-175.1-6.5000110.5S10 R11 Y12D8-S10 PolarHBondContact O-N 2.81Å; D8-S10 WeakPolarHBondContact OD1-CB 3.36Å; D8-S10 PolarHBondContact OD1-N 3.24Å; D8-S10 PolarHBondContact OD1-OG 2.89Å; D8-R11 HydrophobicContact CB-CG 4.37Å; D8-R11 PolarHBondContact O-N 2.79Å; D8-R11 WeakPolarHBondContact OD2-CD 3.47Å; D8-R11 VanDerWaalsContact OD2-CG 3.25Å; D8-R11 WeakPolarHBondContact OD2-CG 3.34Å; D8-Y12 WeakPolarHBondContact O-CD2 3.15Å
9F97Very high97.4Very high1 Ų167.6 Ų67.60%0.00438%0.383CS..G310 helixtrans-48.3-36.4-179.2178.5-97.9000112.9A4 F7 R11 Y12 M14 R52 N54 N57 L59A4-F9 HydrophobicContact CB-CD2 3.54Å; A4-F9 HydrophobicContact CB-CE2 4.14Å; A4-F9 HydrophobicContact CB-CG 4.38Å; F7-F9 HydrophobicContact CE2-CB 4.31Å; F7-F9 HydrophobicContact CE2-CD2 4.34Å; F7-F9 HydrophobicContact CZ-CD2 4.33Å; F7-F9 PolarHBondContact O-N 3.3Å; F9-R11 PolarHBondContact O-N 3.39Å; F9-R11 VanDerWaalsContact O-N 3.13Å; F9-Y12 PolarHBondContact O-N 3.27Å; F9-M14 HydrophobicContact CD2-CE 4.28Å; F9-M14 HydrophobicContact CD2-CG 4.11Å; F9-M14 HydrophobicContact CD2-SD 3.9Å; F9-M14 HydrophobicContact CE2-CE 3.94Å; F9-M14 HydrophobicContact CE2-CG 3.55Å; F9-M14 HydrophobicContact CE2-SD 3.82Å; F9-M14 HydrophobicContact CZ-CG 3.97Å; F9-R52 VanDerWaalsContact CD1-NH2 3.32Å; F9-R52 HydrophobicContact CE1-CB 4.26Å; F9-R52 VanDerWaalsContact CE1-NH2 3.29Å; F9-R52 HydrophobicContact CZ-CB 4.21Å; F9-R52 PolarHBondContact O-NH2 3Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.32Å; F9-N57 HydrophobicContact CB-CB 3.96Å; F9-N57 WeakPolarHBondContact CB-OD1 3.39Å; F9-N57 HydrophobicContact CD1-CB 4.37Å; F9-N57 HydrophobicContact CG-CB 4.12Å; F9-L59 HydrophobicContact CE2-CB 4.36Å; F9-L59 HydrophobicContact CZ-CB 4.24Å
10S96.3Very high97.3Very high46 Ų4664.9 Ų64.932%0.32237%0.37SS..G310 helixtrans-67.5-13-175.677.40000114.1D8 P33D8-S10 PolarHBondContact O-N 2.81Å; D8-S10 WeakPolarHBondContact OD1-CB 3.36Å; D8-S10 PolarHBondContact OD1-N 3.24Å; D8-S10 PolarHBondContact OD1-OG 2.89Å; S10-P33 VanDerWaalsContact O-CB 3.27Å; S10-P33 WeakPolarHBondContact O-CB 3.25Å
11R97.1Very high97.2Very high191 Ų19167 Ų6772%0.72139%0.386SS*.G310 helixtrans-103.6-7-176.7-61.3-170.682.6172.68.5114.5D8 F9D8-R11 HydrophobicContact CB-CG 4.37Å; D8-R11 PolarHBondContact O-N 2.79Å; D8-R11 WeakPolarHBondContact OD2-CD 3.47Å; D8-R11 VanDerWaalsContact OD2-CG 3.25Å; D8-R11 WeakPolarHBondContact OD2-CG 3.34Å; F9-R11 PolarHBondContact O-N 3.39Å; F9-R11 VanDerWaalsContact O-N 3.13Å
12Y97.5Very high97.2Very high137 Ų13766.1 Ų66.154%0.53740%0.395SS..SBendtrans-112.5149.1-176.4-63.5-84.7000112.1F7 D8 F9 R52F7-Y12 AromaticContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CD2 3.66Å; F7-Y12 HydrophobicContact CD2-CE2 4.07Å; F7-Y12 HydrophobicContact CD2-CG 4.47Å; F7-Y12 HydrophobicContact CE2-CD2 4.13Å; D8-Y12 WeakPolarHBondContact O-CD2 3.15Å; F9-Y12 PolarHBondContact O-N 3.27Å; Y12-R52 PolarHBondContact O-NH1 3.26Å
13W98.3Very high97Very high112 Ų11270.8 Ų70.842%0.42441%0.413SS..  trans-68.1144.3162.3-73.665.8000108.7E30 I31 N32 T37W13-E30 HydrophobicContact CE3-CB 4.26Å; W13-E30 VanDerWaalsContact CE3-CD 3.44Å; W13-E30 HydrophobicContact CE3-CG 3.51Å; W13-E30 HydrophobicContact CZ3-CG 3.68Å; W13-I31 WeakPolarHBondContact CA-O 3.29Å; W13-N32 HydrophobicContact CD2-CB 3.73Å; W13-N32 VanDerWaalsContact CE2-CB 3.41Å; W13-N32 HydrophobicContact CE3-CB 3.95Å; W13-N32 HydrophobicContact CG-CB 4.46Å; W13-N32 HydrophobicContact CH2-CB 3.69Å; W13-N32 HydrophobicContact CZ2-CB 3.41Å; W13-N32 VanDerWaalsContact CZ2-CB 3.41Å; W13-N32 HydrophobicContact CZ3-CB 3.93Å; W13-T37 HydrophobicContact CH2-CG2 4.02Å
14M98.4Very high96.9Very high20 Ų2069.4 Ų69.410%0.09941%0.406CS..EExtended strand (participates in β ladder)trans-126.9135.7-177.5-63.1-56-52.700109.3F7 F9 E30 I31 L59F7-M14 HydrophobicContact CE2-SD 4.13Å; F7-M14 HydrophobicContact CZ-CE 4.25Å; F7-M14 HydrophobicContact CZ-SD 4.18Å; F9-M14 HydrophobicContact CD2-CE 4.28Å; F9-M14 HydrophobicContact CD2-CG 4.11Å; F9-M14 HydrophobicContact CD2-SD 3.9Å; F9-M14 HydrophobicContact CE2-CE 3.94Å; F9-M14 HydrophobicContact CE2-CG 3.55Å; F9-M14 HydrophobicContact CE2-SD 3.82Å; F9-M14 HydrophobicContact CZ-CG 3.97Å; M14-E30 CarbonylContact O-C 3.41Å; M14-E30 WeakPolarHBondContact O-CA 3.47Å; M14-E30 WeakPolarHBondContact O-CB 3.41Å; M14-I31 HydrophobicContact CB-CG2 4.24Å; M14-I31 PolarHBondContact N-O 3.23Å; M14-I31 PolarHBondContact O-N 3.48Å; M14-L59 HydrophobicContact CB-CD1 3.7Å; M14-L59 HydrophobicContact CB-CD2 3.86Å; M14-L59 HydrophobicContact CB-CG 4.29Å
15S98.3Very high96.9Very high40 Ų4074.1 Ų74.128%0.2843%0.428SS..EExtended strand (participates in β ladder)trans-121.4154.3-171.4-610000111.6G29 E30S15-G29 CarbonylContact C-O 3.57Å; S15-G29 WeakPolarHBondContact CA-O 3.46Å; S15-E30 VanDerWaalsContact OG-CB 3.26Å; S15-E30 WeakPolarHBondContact OG-CB 3.42Å
16W98.6Very high96.8Very high12 Ų1271.7 Ų71.75%0.04541%0.405CS..EExtended strand (participates in β ladder)trans-114.6138.4164.1-78.1100.9000110.4C2 I28 G29 I50 L59 Y60 L61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.79Å; C2-W16 HydrophobicContact CB-CZ2 3.87Å; W16-I28 HydrophobicContact CB-CB 4.04Å; W16-I28 HydrophobicContact CB-CD1 4.11Å; W16-I28 HydrophobicContact CB-CG1 4.36Å; W16-I28 WeakPolarHBondContact O-CB 3.15Å; W16-I28 PolarHBondContact O-N 2.79Å; W16-G29 PolarHBondContact N-O 3.06Å; W16-I50 HydrophobicContact CB-CD1 4.48Å; W16-L59 HydrophobicContact CD2-CD2 4.29Å; W16-L59 HydrophobicContact CG-CD2 4.25Å; W16-L59 HydrophobicContact CZ2-CD2 4.19Å; W16-L59 HydrophobicContact CZ2-CG 4.31Å; W16-L59 VanDerWaalsContact NE1-CG 3.31Å; W16-Y60 PolarHBondContact NE1-O 2.99Å; W16-L61 HydrophobicContact CB-CD1 4.27Å; W16-L61 HydrophobicContact CD2-CB 3.89Å; W16-L61 HydrophobicContact CD2-CD1 4.45Å; W16-L61 HydrophobicContact CD2-CD2 4.02Å; W16-L61 HydrophobicContact CD2-CG 4.36Å; W16-L61 HydrophobicContact CE3-CB 4.47Å; W16-L61 HydrophobicContact CE3-CD2 4.11Å; W16-L61 HydrophobicContact CG-CB 4.21Å; W16-L61 HydrophobicContact CG-CD1 3.95Å; W16-L61 HydrophobicContact CG-CD2 4.19Å; W16-L61 HydrophobicContact CG-CG 4.36Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; W16-Y75 CarbonylContact C-O 3.41Å; W16-Y75 WeakPolarHBondContact CA-O 3.32Å; W16-C76 HydrophobicContact CD2-CB 4.33Å; W16-C76 HydrophobicContact CE3-CB 4.12Å; W16-C76 HydrophobicContact CH2-CB 3.88Å; W16-C76 HydrophobicContact CZ2-CB 4.11Å; W16-C76 HydrophobicContact CZ3-CB 3.89Å
17V98.1Very high96.9Very high35 Ų3572 Ų7221%0.21238%0.379CS..EExtended strand (participates in β ladder)trans-131.6143.8175.3-177.30000107.9L25 E26 Y75V17-L25 HydrophobicContact CG1-CB 3.8Å; V17-L25 HydrophobicContact CG1-CD2 3.76Å; V17-L25 HydrophobicContact CG1-CG 4.29Å; V17-E26 CarbonylContact C-O 3.52Å; V17-E26 WeakPolarHBondContact CA-O 2.81Å; V17-E26 WeakPolarHBondContact CG1-O 3.34Å; V17-Y75 PolarHBondContact N-O 2.96Å; V17-Y75 PolarHBondContact O-N 2.59Å
18R96.9Very high97Very high22 Ų2267.8 Ų67.88%0.08336%0.36CS..EExtended strand (participates in β ladder)trans-120.9155.8171.468.9-179.5-167.8-179.73.7112.2E26 I28 L44 D70 A72 L73 Y74R18-E26 HydrophobicContact CG-CB 3.99Å; R18-E26 IonicContact CZ-OE2 3.02Å; R18-E26 PolarHBondContact N-O 2.8Å; R18-E26 IonicContact NE-OE2 3.34Å; R18-E26 PolarHBondContact NE-OE2 3.37Å; R18-E26 IonicContact NH2-OE2 3.88Å; R18-E26 PolarHBondContact NH2-OE2 3.33Å; R18-E26 PolarHBondContact O-N 3.1Å; R18-I28 HydrophobicContact CB-CD1 4.07Å; R18-I28 HydrophobicContact CB-CG1 4.39Å; R18-I28 HydrophobicContact CG-CD1 4.25Å; R18-I28 HydrophobicContact CG-CG1 4.18Å; R18-L44 VanDerWaalsContact NH2-CD2 3.25Å; R18-D70 IonicContact NH1-OD1 3.37Å; R18-D70 PolarHBondContact NH1-OD1 2.93Å; R18-A72 HydrophobicContact CB-CB 3.94Å; R18-A72 HydrophobicContact CG-CB 4.42Å; R18-L73 CarbonylContact C-O 3.58Å; R18-L73 WeakPolarHBondContact CA-O 3.31Å; R18-Y74 HydrophobicContact CB-CD1 3.84Å; R18-Y74 HydrophobicContact CB-CE1 3.79Å; R18-Y74 HydrophobicContact CB-CG 4.38Å
19Q97.6Very high97.1Very high70 Ų7064 Ų6433%0.32734%0.34SS..EExtended strand (participates in β ladder)trans-134.3106.7173.2-167.9175.820.800110.2K23 L25 A72 L73 Y75Q19-K23 WeakPolarHBondContact CG-O 3.26Å; Q19-K23 PolarHBondContact NE2-O 2.77Å; Q19-L25 HydrophobicContact CB-CD2 4.06Å; Q19-L25 HydrophobicContact CG-CD2 4.46Å; Q19-A72 CarbonylContact O-C 3.45Å; Q19-A72 VanDerWaalsContact O-CA 3.32Å; Q19-A72 WeakPolarHBondContact O-CA 3.41Å; Q19-A72 WeakPolarHBondContact O-CB 3.2Å; Q19-L73 PolarHBondContact N-O 3.02Å; Q19-L73 PolarHBondContact O-N 2.95Å; Q19-Y75 HydrophobicContact CB-CE2 4.01Å
20A96.1Very high97.2Very high13 Ų1366.4 Ų66.411%0.10735%0.351CS..  trans-74.3153.4172.700000110.7G22 K23 A72A20-G22 PolarHBondContact O-N 2.66Å; A20-K23 HydrophobicContact CB-CB 4.18Å; A20-K23 HydrophobicContact CB-CD 4.02Å; A20-K23 HydrophobicContact CB-CG 4.15Å; A20-K23 PolarHBondContact O-N 3.34Å; A20-A72 HydrophobicContact CB-CB 4.35Å
21P96.1Very high97.3Very high110 Ų11064.3 Ų64.371%0.71434%0.336SS*.THydrogen-bonded Turntrans-53.2126.2176.4-26.134.5000112.1K23 T71P21-K23 PolarHBondContact O-N 2.82Å; P21-T71 WeakPolarHBondContact CD-O 3.33Å
22G95.6Very high97.3Very high94 Ų9455.9 Ų55.997%0.96931%0.306SS*.THydrogen-bonded Turntrans73.84.6-179.300000115.4A20A20-G22 PolarHBondContact O-N 2.66Å
23K94.6Very high97.4Very high120 Ų12050.9 Ų50.952%0.52229%0.29SS..  trans-109162.2174.6-62-163.3-176.21760112.3Q19 A20 P21 E26Q19-K23 WeakPolarHBondContact CG-O 3.26Å; Q19-K23 PolarHBondContact NE2-O 2.77Å; A20-K23 HydrophobicContact CB-CB 4.18Å; A20-K23 HydrophobicContact CB-CD 4.02Å; A20-K23 HydrophobicContact CB-CG 4.15Å; A20-K23 PolarHBondContact O-N 3.34Å; P21-K23 PolarHBondContact O-N 2.82Å; K23-E26 IonicContact NZ-OE1 2.8Å
24G95.4Very high97.3Very high52 Ų5250.8 Ų50.854%0.53630%0.298SS..  trans-72.4-179.4169.400000112.5E26G24-E26 PolarHBondContact O-N 2.82Å
25L96.8Very high97.3Very high117 Ų11752.3 Ų52.361%0.61331%0.311SS*.EExtended strand (participates in β ladder)trans-69.3126.6173.2-68.1169.8000110.1V17 Q19 Y75V17-L25 HydrophobicContact CG1-CB 3.8Å; V17-L25 HydrophobicContact CG1-CD2 3.76Å; V17-L25 HydrophobicContact CG1-CG 4.29Å; Q19-L25 HydrophobicContact CB-CD2 4.06Å; Q19-L25 HydrophobicContact CG-CD2 4.46Å; L25-Y75 HydrophobicContact CD2-CD2 4.29Å; L25-Y75 HydrophobicContact CD2-CE2 4.24Å
26E96.6Very high97.2Very high54 Ų5454.4 Ų54.425%0.25233%0.325SS..EExtended strand (participates in β ladder)trans-109.6116.2173.8-68.8179.1-17000108.6V17 R18 K23 G24V17-E26 CarbonylContact C-O 3.52Å; V17-E26 WeakPolarHBondContact CA-O 2.81Å; V17-E26 WeakPolarHBondContact CG1-O 3.34Å; R18-E26 HydrophobicContact CG-CB 3.99Å; R18-E26 IonicContact CZ-OE2 3.02Å; R18-E26 PolarHBondContact N-O 2.8Å; R18-E26 IonicContact NE-OE2 3.34Å; R18-E26 PolarHBondContact NE-OE2 3.37Å; R18-E26 IonicContact NH2-OE2 3.88Å; R18-E26 PolarHBondContact NH2-OE2 3.33Å; R18-E26 PolarHBondContact O-N 3.1Å; K23-E26 IonicContact NZ-OE1 2.8Å; G24-E26 PolarHBondContact O-N 2.82Å
27W97.8Very high97.2Very high97 Ų9756.6 Ų56.637%0.36734%0.34SS..EExtended strand (participates in β ladder)trans-70.7130.8174.7177.579.2000110.3G29 E30 N39 S41W27-G29 VanDerWaalsContact CE2-CA 3.48Å; W27-G29 VanDerWaalsContact CZ2-C 3.49Å; W27-G29 PolarHBondContact NE1-O 1.99Å; W27-E30 HydrophobicContact CZ2-CB 4.07Å; W27-E30 HydrophobicContact CZ2-CG 3.84Å; W27-N39 HydrophobicContact CH2-CB 3.85Å; W27-N39 HydrophobicContact CZ2-CB 4.32Å; W27-S41 WeakPolarHBondContact O-CB 3.46Å
28I97.7Very high97.2Very high0 Ų057.9 Ų57.90%035%0.345CS..EExtended strand (participates in β ladder)trans-90.5-48.4179.3-54.6-174000110.3W16 R18 Y40 S41 L44 F48 L61 Y74W16-I28 HydrophobicContact CB-CB 4.04Å; W16-I28 HydrophobicContact CB-CD1 4.11Å; W16-I28 HydrophobicContact CB-CG1 4.36Å; W16-I28 WeakPolarHBondContact O-CB 3.15Å; W16-I28 PolarHBondContact O-N 2.79Å; R18-I28 HydrophobicContact CB-CD1 4.07Å; R18-I28 HydrophobicContact CB-CG1 4.39Å; R18-I28 HydrophobicContact CG-CD1 4.25Å; R18-I28 HydrophobicContact CG-CG1 4.18Å; I28-Y40 WeakPolarHBondContact O-CA 3.5Å; I28-S41 PolarHBondContact O-N 2.95Å; I28-L44 HydrophobicContact CB-CD1 4.46Å; I28-L44 HydrophobicContact CG1-CD1 4.18Å; I28-L44 HydrophobicContact CG2-CB 4.5Å; I28-F48 HydrophobicContact CD1-CD1 4.42Å; I28-F48 HydrophobicContact CD1-CE1 4.44Å; I28-F48 HydrophobicContact CG2-CB 3.84Å; I28-F48 HydrophobicContact CG2-CD1 4.5Å; I28-F48 HydrophobicContact CG2-CD2 3.89Å; I28-F48 HydrophobicContact CG2-CG 3.81Å; I28-L61 HydrophobicContact CD1-CD2 3.83Å; I28-L61 HydrophobicContact CG2-CD1 4.29Å; I28-Y74 HydrophobicContact CD1-CD1 3.76Å; I28-Y74 HydrophobicContact CD1-CE1 3.72Å
29G98.3Very high97.3Very high0 Ų060 Ų600%036%0.358CS..EExtended strand (participates in β ladder)trans168.6175.1-173.400000112.1S15 W16 W27 N39 I50S15-G29 CarbonylContact C-O 3.57Å; S15-G29 WeakPolarHBondContact CA-O 3.46Å; W16-G29 PolarHBondContact N-O 3.06Å; W27-G29 VanDerWaalsContact CE2-CA 3.48Å; W27-G29 VanDerWaalsContact CZ2-C 3.49Å; W27-G29 PolarHBondContact NE1-O 1.99Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 2.96Å; G29-I50 VanDerWaalsContact C-CD1 3.42Å
30E98.5Very high97.3Very high52 Ų5259.4 Ų59.424%0.24335%0.353CS..EExtended strand (participates in β ladder)trans-144.2154.1176.571.7-175.616100111.4W13 M14 S15 W27 I38 N39W13-E30 HydrophobicContact CE3-CB 4.26Å; W13-E30 VanDerWaalsContact CE3-CD 3.44Å; W13-E30 HydrophobicContact CE3-CG 3.51Å; W13-E30 HydrophobicContact CZ3-CG 3.68Å; M14-E30 CarbonylContact O-C 3.41Å; M14-E30 WeakPolarHBondContact O-CA 3.47Å; M14-E30 WeakPolarHBondContact O-CB 3.41Å; S15-E30 VanDerWaalsContact OG-CB 3.26Å; S15-E30 WeakPolarHBondContact OG-CB 3.42Å; W27-E30 HydrophobicContact CZ2-CB 4.07Å; W27-E30 HydrophobicContact CZ2-CG 3.84Å; E30-I38 WeakPolarHBondContact O-CA 3.47Å; E30-I38 WeakPolarHBondContact O-CG2 3.01Å; E30-N39 HydrophobicContact CG-CB 4.12Å; E30-N39 PolarHBondContact N-O 2.89Å; E30-N39 PolarHBondContact O-N 3.12Å; E30-N39 PolarHBondContact OE1-ND2 2.9Å
31I98.7Very high97.3Very high2 Ų259.9 Ų59.91%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-127.1134.5179.5-175.8161.9000110.4W13 M14 I38 I50 R52 L59W13-I31 WeakPolarHBondContact CA-O 3.29Å; M14-I31 HydrophobicContact CB-CG2 4.24Å; M14-I31 PolarHBondContact N-O 3.23Å; M14-I31 PolarHBondContact O-N 3.48Å; I31-I38 HydrophobicContact CB-CG1 4.38Å; I31-I38 HydrophobicContact CD1-CD1 3.9Å; I31-I38 HydrophobicContact CD1-CG1 3.9Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.95Å; I31-I50 HydrophobicContact CB-CG2 3.91Å; I31-I50 HydrophobicContact CG2-CG2 3.66Å; I31-R52 HydrophobicContact CD1-CG 3.92Å; I31-R52 HydrophobicContact CG1-CG 4.34Å; I31-R52 HydrophobicContact CG2-CB 4.44Å; I31-R52 HydrophobicContact CG2-CG 4.48Å; I31-L59 HydrophobicContact CG2-CD1 3.51Å
32N98.3Very high97.2Very high14 Ų1460 Ų608%0.07536%0.357CS..  trans-76.3164.7179.979-27.5000112.2W13 D34 S35 S36 T37 R52W13-N32 HydrophobicContact CD2-CB 3.73Å; W13-N32 VanDerWaalsContact CE2-CB 3.41Å; W13-N32 HydrophobicContact CE3-CB 3.95Å; W13-N32 HydrophobicContact CG-CB 4.46Å; W13-N32 HydrophobicContact CH2-CB 3.69Å; W13-N32 HydrophobicContact CZ2-CB 3.41Å; W13-N32 VanDerWaalsContact CZ2-CB 3.41Å; W13-N32 HydrophobicContact CZ3-CB 3.93Å; N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.24Å; N32-D34 PolarHBondContact ND2-OD1 3.12Å; N32-D34 PolarHBondContact O-N 2.87Å; N32-D34 PolarHBondContact OD1-OD1 2.85Å; N32-S35 PolarHBondContact O-N 3.35Å; N32-S35 VanDerWaalsContact O-N 3.16Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3.5Å; N32-S35 PolarHBondContact OD1-N 3.06Å; N32-S36 PolarHBondContact ND2-OG 3.06Å; N32-S36 PolarHBondContact OD1-N 2.94Å; N32-T37 PolarHBondContact N-O 3.42Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 3.25Å; N32-T37 PolarHBondContact OD1-O 2.81Å; N32-T37 VanDerWaalsContact OD1-O 3.09Å; N32-R52 VanDerWaalsContact O-CD 3.3Å; N32-R52 WeakPolarHBondContact O-CD 3.41Å; N32-R52 PolarHBondContact O-NH1 3.01Å; N32-R52 VanDerWaalsContact O-NH1 3.14Å
33P98.2Very high97.1Very high33 Ų3359.8 Ų59.821%0.21434%0.34CS..THydrogen-bonded Turntrans-42.4-47.9178.2-42.344.7000117.4S10 R52 N54S10-P33 VanDerWaalsContact O-CB 3.27Å; S10-P33 WeakPolarHBondContact O-CB 3.25Å; P33-R52 VanDerWaalsContact CA-NH1 3.27Å; P33-R52 PolarHBondContact O-NE 3.13Å; P33-N54 PolarHBondContact O-ND2 3.49Å
34D96.8Very high96.9Very high110 Ų11054.3 Ų54.359%0.58832%0.316SS*.THydrogen-bonded Turntrans-95.44.3-174.266.29.3000113.3N32 S36N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.24Å; N32-D34 PolarHBondContact ND2-OD1 3.12Å; N32-D34 PolarHBondContact O-N 2.87Å; N32-D34 PolarHBondContact OD1-OD1 2.85Å; D34-S36 PolarHBondContact O-N 2.76Å; D34-S36 VanDerWaalsContact OD1-CB 3.23Å; D34-S36 WeakPolarHBondContact OD1-CB 3.28Å; D34-S36 PolarHBondContact OD1-N 2.85Å; D34-S36 PolarHBondContact OD1-OG 2.82Å; D34-S36 PolarHBondContact OD2-OG 2.78Å
35S97.5Very high96.7Very high52 Ų5257.1 Ų57.136%0.36431%0.314SS..SBendtrans61.112.5-177.5-46.30000115.2N32 T37 R52N32-S35 PolarHBondContact O-N 3.35Å; N32-S35 VanDerWaalsContact O-N 3.16Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3.5Å; N32-S35 PolarHBondContact OD1-N 3.06Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-R52 WeakPolarHBondContact OG-CD 3.21Å; S35-R52 WeakPolarHBondContact OG-CG 3.4Å
36S97.8Very high96.5Very high84 Ų8458 Ų5859%0.58732%0.319SS*.SBendtrans-73.7-22.1176.863.80000113N32 D34N32-S36 PolarHBondContact ND2-OG 3.06Å; N32-S36 PolarHBondContact OD1-N 2.94Å; D34-S36 PolarHBondContact O-N 2.76Å; D34-S36 VanDerWaalsContact OD1-CB 3.23Å; D34-S36 WeakPolarHBondContact OD1-CB 3.28Å; D34-S36 PolarHBondContact OD1-N 2.85Å; D34-S36 PolarHBondContact OD1-OG 2.82Å; D34-S36 PolarHBondContact OD2-OG 2.78Å
37T98.3Very high96.3Very high57 Ų5757.2 Ų57.235%0.3532%0.315SS..  trans-129.5130.1-179.5-54.80000110.6W13 N32 S35W13-T37 HydrophobicContact CH2-CG2 4.02Å; N32-T37 PolarHBondContact N-O 3.42Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact OD1-N 3.25Å; N32-T37 PolarHBondContact OD1-O 2.81Å; N32-T37 VanDerWaalsContact OD1-O 3.09Å; S35-T37 VanDerWaalsContact C-N 3.29Å
38I98.3Very high96.2Very high63 Ų6352.7 Ų52.732%0.32330%0.298SS..EExtended strand (participates in β ladder)trans-130.2120.8171.3-47.2177.4000107.8E30 I31 Y40 I50E30-I38 WeakPolarHBondContact O-CA 3.47Å; E30-I38 WeakPolarHBondContact O-CG2 3.01Å; I31-I38 HydrophobicContact CB-CG1 4.38Å; I31-I38 HydrophobicContact CD1-CD1 3.9Å; I31-I38 HydrophobicContact CD1-CG1 3.9Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.95Å; I38-Y40 HydrophobicContact CB-CE2 3.94Å; I38-Y40 HydrophobicContact CG2-CD2 3.97Å; I38-Y40 HydrophobicContact CG2-CE1 4.31Å; I38-Y40 HydrophobicContact CG2-CE2 3.31Å; I38-I50 HydrophobicContact CG2-CB 4.25Å
39N98.1Very high96.2Very high66 Ų6656.4 Ų56.435%0.35332%0.317SS..EExtended strand (participates in β ladder)trans-99.6138.9173-60.6-39000108.7W27 G29 E30W27-N39 HydrophobicContact CH2-CB 3.85Å; W27-N39 HydrophobicContact CZ2-CB 4.32Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 2.96Å; E30-N39 HydrophobicContact CG-CB 4.12Å; E30-N39 PolarHBondContact N-O 2.89Å; E30-N39 PolarHBondContact O-N 3.12Å; E30-N39 PolarHBondContact OE1-ND2 2.9Å
40Y98.1Very high96.2Very high58 Ų5856.5 Ų56.523%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-123.3152.8176.6-70.9-85.8000110.7I28 I38 K45 F48 I50I28-Y40 WeakPolarHBondContact O-CA 3.5Å; I38-Y40 HydrophobicContact CB-CE2 3.94Å; I38-Y40 HydrophobicContact CG2-CD2 3.97Å; I38-Y40 HydrophobicContact CG2-CE1 4.31Å; I38-Y40 HydrophobicContact CG2-CE2 3.31Å; Y40-K45 HydrophobicContact CD2-CB 4.48Å; Y40-K45 HydrophobicContact CG-CB 4.02Å; Y40-F48 WeakPolarHBondContact CE1-O 3.45Å; Y40-I50 HydrophobicContact CD1-CD1 4.35Å; Y40-I50 HydrophobicContact CE1-CB 4.41Å; Y40-I50 HydrophobicContact CE1-CD1 3.92Å; Y40-I50 HydrophobicContact CE1-CG1 3.87Å; Y40-I50 PolarHBondContact OH-N 2.82Å
41S96.4Very high96.2Very high22 Ų2256 Ų5615%0.15432%0.32CS..  trans-61.8130.9161.5175.50000109W27 I28 S43 L44 K45W27-S41 WeakPolarHBondContact O-CB 3.46Å; I28-S41 PolarHBondContact O-N 2.95Å; S41-S43 PolarHBondContact O-N 2.88Å; S41-S43 PolarHBondContact OG-OG 3.22Å; S41-L44 PolarHBondContact O-N 3.05Å; S41-K45 PolarHBondContact O-N 2.87Å
42P94.3Very high96.2Very high114 Ų11457 Ų5774%0.7432%0.324SS*.THydrogen-bonded Turntrans-53.9-32.1-176.6-28.935.1000114.2
43S91.6Very high96.2Very high89 Ų8958.2 Ų58.262%0.62233%0.33SS*.THydrogen-bonded Turntrans-79.6-16.1-18058.60000114.3S41S41-S43 PolarHBondContact O-N 2.88Å; S41-S43 PolarHBondContact OG-OG 3.22Å
44L91Very high96.1Very high5 Ų559.5 Ų59.53%0.02634%0.335CS..THydrogen-bonded Turntrans-119.1-5.9-171.5-57.2179.7000113.5R18 I28 S41 D46 E47 F48R18-L44 VanDerWaalsContact NH2-CD2 3.25Å; I28-L44 HydrophobicContact CB-CD1 4.46Å; I28-L44 HydrophobicContact CG1-CD1 4.18Å; I28-L44 HydrophobicContact CG2-CB 4.5Å; S41-L44 PolarHBondContact O-N 3.05Å; L44-D46 PolarHBondContact O-N 2.95Å; L44-D46 VanDerWaalsContact O-N 3.12Å; L44-E47 PolarHBondContact O-N 3.22Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.21Å; L44-F48 HydrophobicContact CD2-CE2 4.09Å; L44-F48 PolarHBondContact O-N 2.96Å
45K91.7Very high96.1Very high111 Ų11158.9 Ų58.948%0.48335%0.345SS..THydrogen-bonded Turntrans-56.7-30.1-174.475.7178.3-170.9175.60114.7Y40 S41Y40-K45 HydrophobicContact CD2-CB 4.48Å; Y40-K45 HydrophobicContact CG-CB 4.02Å; S41-K45 PolarHBondContact O-N 2.87Å
46D92.3Very high96.2Very high136 Ų13662.5 Ų62.573%0.72736%0.355SS*.THydrogen-bonded Turntrans-97.8-0.4-175.6-60.8-46.4000112.1L44L44-D46 PolarHBondContact O-N 2.95Å; L44-D46 VanDerWaalsContact O-N 3.12Å
47E93.6Very high96.2Very high36 Ų3661.6 Ų61.617%0.16834%0.343CS..THydrogen-bonded Turntrans-107.4-28.7-175.6-57.5-165.4151.100112.7L44 P64 R67L44-E47 PolarHBondContact O-N 3.22Å; E47-P64 WeakPolarHBondContact O-CD 3.25Å; E47-R67 IonicContact OE1-CZ 2.74Å; E47-R67 IonicContact OE1-NH1 3.47Å; E47-R67 PolarHBondContact OE1-NH1 3.01Å; E47-R67 IonicContact OE1-NH2 3.39Å; E47-R67 PolarHBondContact OE1-NH2 3.26Å
48F95.4Very high96.2Very high2 Ų259.6 Ų59.61%0.00933%0.331CS..  trans-125.1144.8-175-59.9-88.1000111.3I28 Y40 L44 L61 Q62 M63 Y74I28-F48 HydrophobicContact CD1-CD1 4.42Å; I28-F48 HydrophobicContact CD1-CE1 4.44Å; I28-F48 HydrophobicContact CG2-CB 3.84Å; I28-F48 HydrophobicContact CG2-CD1 4.5Å; I28-F48 HydrophobicContact CG2-CD2 3.89Å; I28-F48 HydrophobicContact CG2-CG 3.81Å; Y40-F48 WeakPolarHBondContact CE1-O 3.45Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.21Å; L44-F48 HydrophobicContact CD2-CE2 4.09Å; L44-F48 PolarHBondContact O-N 2.96Å; F48-L61 HydrophobicContact CB-CD1 3.83Å; F48-L61 HydrophobicContact CD1-CD1 3.95Å; F48-L61 HydrophobicContact CD1-CD2 3.92Å; F48-L61 HydrophobicContact CD1-CG 3.94Å; F48-L61 HydrophobicContact CE1-CD2 4.34Å; F48-L61 HydrophobicContact CG-CD1 4.23Å; F48-Q62 WeakPolarHBondContact CA-O 3.43Å; F48-M63 HydrophobicContact CD1-CG 3.55Å; F48-M63 HydrophobicContact CD1-SD 4.31Å; F48-M63 HydrophobicContact CE1-CG 3.49Å; F48-M63 VanDerWaalsContact CE1-CG 3.49Å; F48-M63 HydrophobicContact CE1-SD 3.73Å; F48-Y74 AromaticContact CE1-CE1 3.74Å; F48-Y74 HydrophobicContact CE1-CE1 3.74Å; F48-Y74 HydrophobicContact CZ-CE1 4.22Å
49I97.3Very high96.2Very high78 Ų7856.6 Ų56.640%0.432%0.315SS..EExtended strand (participates in β ladder)trans-119.3119171.2-53.2169.1000108Q62 P64I49-Q62 HydrophobicContact CB-CB 4.17Å; I49-Q62 PolarHBondContact N-O 3.09Å; I49-Q62 PolarHBondContact O-N 3.11Å; I49-P64 HydrophobicContact CD1-CG 4.42Å
50I98.3Very high96.2Very high2 Ų256.9 Ų56.91%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-93.5134.8175.3-60173.3000108.9W16 G29 I31 I38 Y40 L59 Y60 L61W16-I50 HydrophobicContact CB-CD1 4.48Å; G29-I50 VanDerWaalsContact C-CD1 3.42Å; I31-I50 HydrophobicContact CB-CG2 3.91Å; I31-I50 HydrophobicContact CG2-CG2 3.66Å; I38-I50 HydrophobicContact CG2-CB 4.25Å; Y40-I50 HydrophobicContact CD1-CD1 4.35Å; Y40-I50 HydrophobicContact CE1-CB 4.41Å; Y40-I50 HydrophobicContact CE1-CD1 3.92Å; Y40-I50 HydrophobicContact CE1-CG1 3.87Å; Y40-I50 PolarHBondContact OH-N 2.82Å; I50-L59 HydrophobicContact CG2-CD1 4.07Å; I50-Y60 WeakPolarHBondContact CA-O 3.44Å; I50-L61 HydrophobicContact CG1-CD1 3.77Å
51S98.4Very high96.2Very high41 Ų4155.2 Ų55.229%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-147.2163.6171.260.40000110.9Y60S51-Y60 PolarHBondContact N-O 3.04Å; S51-Y60 VanDerWaalsContact N-O 3.12Å; S51-Y60 PolarHBondContact O-N 2.74Å
52R98.3Very high96.2Very high24 Ų2459.1 Ų59.19%0.09132%0.323CS..EExtended strand (participates in β ladder)trans-138.8152.7-178.264.2-176.4-67.7158.92.8111.7F9 Y12 I31 N32 P33 S35 N54 T58 L59F9-R52 VanDerWaalsContact CD1-NH2 3.32Å; F9-R52 HydrophobicContact CE1-CB 4.26Å; F9-R52 VanDerWaalsContact CE1-NH2 3.29Å; F9-R52 HydrophobicContact CZ-CB 4.21Å; F9-R52 PolarHBondContact O-NH2 3Å; Y12-R52 PolarHBondContact O-NH1 3.26Å; I31-R52 HydrophobicContact CD1-CG 3.92Å; I31-R52 HydrophobicContact CG1-CG 4.34Å; I31-R52 HydrophobicContact CG2-CB 4.44Å; I31-R52 HydrophobicContact CG2-CG 4.48Å; N32-R52 VanDerWaalsContact O-CD 3.3Å; N32-R52 WeakPolarHBondContact O-CD 3.41Å; N32-R52 PolarHBondContact O-NH1 3.01Å; N32-R52 VanDerWaalsContact O-NH1 3.14Å; P33-R52 VanDerWaalsContact CA-NH1 3.27Å; P33-R52 PolarHBondContact O-NE 3.13Å; S35-R52 WeakPolarHBondContact OG-CD 3.21Å; S35-R52 WeakPolarHBondContact OG-CG 3.4Å; R52-N54 PolarHBondContact NE-OD1 2.63Å; R52-N54 PolarHBondContact NH2-OD1 3.24Å; R52-T58 CarbonylContact C-O 3.53Å; R52-T58 WeakPolarHBondContact CA-O 3.49Å; R52-L59 HydrophobicContact CB-CD1 4.09Å
53D98Very high96.3Very high40 Ų4057.3 Ų57.321%0.21431%0.305CS..EExtended strand (participates in β ladder)trans-125.2107.4170.8-175.8-22.3000108.7A55 K56 N57 T58 Y60D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 WeakPolarHBondContact OD1-CB 3.5Å; D53-A55 PolarHBondContact OD1-N 3.04Å; D53-K56 HydrophobicContact CB-CB 4.19Å; D53-K56 PolarHBondContact O-N 3.02Å; D53-K56 PolarHBondContact OD1-N 3.05Å; D53-K56 VanDerWaalsContact OD1-N 3.13Å; D53-K56 WeakPolarHBondContact OD2-CD 3.32Å; D53-K56 WeakPolarHBondContact OD2-CE 3.35Å; D53-K56 VanDerWaalsContact OD2-CG 3.31Å; D53-K56 WeakPolarHBondContact OD2-CG 3.19Å; D53-K56 IonicContact OD2-NZ 2.99Å; D53-K56 PolarHBondContact OD2-NZ 2.86Å; D53-N57 PolarHBondContact O-N 3.4Å; D53-T58 PolarHBondContact N-O 3.49Å; D53-T58 PolarHBondContact O-N 2.73Å; D53-Y60 HydrophobicContact CB-CE2 3.89Å
54N97.7Very high96.3Very high59 Ų5957.2 Ų57.232%0.31630%0.303SS..THydrogen-bonded Turntrans-71.5-28-178.8-71.3-16.3000112.5F9 P33 R52 K56 N57F9-N54 WeakPolarHBondContact CE1-OD1 3.32Å; P33-N54 PolarHBondContact O-ND2 3.49Å; R52-N54 PolarHBondContact NE-OD1 2.63Å; R52-N54 PolarHBondContact NH2-OD1 3.24Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 2.84Å; N54-N57 PolarHBondContact O-N 3.13Å; N54-N57 PolarHBondContact O-OD1 3.04Å
55A96.8Very high96.3Very high97 Ų9764.1 Ų64.180%0.80233%0.333SS*.THydrogen-bonded Turntrans-71.8-27.6176.700000111.6D53D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 WeakPolarHBondContact OD1-CB 3.5Å; D53-A55 PolarHBondContact OD1-N 3.04Å
56K97.8Very high96.2Very high129 Ų12964.3 Ų64.356%0.56134%0.343SS*.THydrogen-bonded Turntrans-100.41.5177.4-60.8-170.6-170.2107.20114.3D53 N54 T58D53-K56 HydrophobicContact CB-CB 4.19Å; D53-K56 PolarHBondContact O-N 3.02Å; D53-K56 PolarHBondContact OD1-N 3.05Å; D53-K56 VanDerWaalsContact OD1-N 3.13Å; D53-K56 WeakPolarHBondContact OD2-CD 3.32Å; D53-K56 WeakPolarHBondContact OD2-CE 3.35Å; D53-K56 VanDerWaalsContact OD2-CG 3.31Å; D53-K56 WeakPolarHBondContact OD2-CG 3.19Å; D53-K56 IonicContact OD2-NZ 2.99Å; D53-K56 PolarHBondContact OD2-NZ 2.86Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 2.84Å; K56-T58 PolarHBondContact O-N 3.14Å; K56-T58 VanDerWaalsContact O-N 3.13Å; K56-T58 PolarHBondContact O-OG1 3.25Å
57N98Very high96.1Very high65 Ų6563 Ų6335%0.34833%0.327SS..THydrogen-bonded Turntrans46.241.3-170.9-61.2-34.2000112.8A4 F9 D53 N54A4-N57 PolarHBondContact N-O 2.97Å; F9-N57 HydrophobicContact CB-CB 3.96Å; F9-N57 WeakPolarHBondContact CB-OD1 3.39Å; F9-N57 HydrophobicContact CD1-CB 4.37Å; F9-N57 HydrophobicContact CG-CB 4.12Å; D53-N57 PolarHBondContact O-N 3.4Å; N54-N57 PolarHBondContact O-N 3.13Å; N54-N57 PolarHBondContact O-OD1 3.04Å
58T98.6Very high96Very high14 Ų1466 Ų669%0.08635%0.353CS..EExtended strand (participates in β ladder)trans-124.3130.8-170.4-59.50000111.8C2 R52 D53 K56 Y60C2-T58 CarbonylContact O-C 3.6Å; C2-T58 VanDerWaalsContact O-CA 3.29Å; C2-T58 WeakPolarHBondContact O-CA 3.33Å; C2-T58 WeakPolarHBondContact O-CG2 3.29Å; R52-T58 CarbonylContact C-O 3.53Å; R52-T58 WeakPolarHBondContact CA-O 3.49Å; D53-T58 PolarHBondContact N-O 3.49Å; D53-T58 PolarHBondContact O-N 2.73Å; K56-T58 PolarHBondContact O-N 3.14Å; K56-T58 VanDerWaalsContact O-N 3.13Å; K56-T58 PolarHBondContact O-OG1 3.25Å; T58-Y60 HydrophobicContact CG2-CD1 4.36Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.76Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å
59L98.7Very high95.7Very high0 Ų072.6 Ų72.60%038%0.383CS..EExtended strand (participates in β ladder)trans-97.8141.8170.6-171.271.6000110.4S1 C2 F9 M14 W16 I31 I50 R52 C76S1-L59 CarbonylContact C-O 3.6Å; S1-L59 VanDerWaalsContact CA-O 3.28Å; S1-L59 WeakPolarHBondContact CA-O 3.49Å; C2-L59 HydrophobicContact CB-CB 4.27Å; C2-L59 PolarHBondContact N-O 3.16Å; C2-L59 PolarHBondContact O-N 3.19Å; F9-L59 HydrophobicContact CE2-CB 4.36Å; F9-L59 HydrophobicContact CZ-CB 4.24Å; M14-L59 HydrophobicContact CB-CD1 3.7Å; M14-L59 HydrophobicContact CB-CD2 3.86Å; M14-L59 HydrophobicContact CB-CG 4.29Å; W16-L59 HydrophobicContact CD2-CD2 4.29Å; W16-L59 HydrophobicContact CG-CD2 4.25Å; W16-L59 HydrophobicContact CZ2-CD2 4.19Å; W16-L59 HydrophobicContact CZ2-CG 4.31Å; W16-L59 VanDerWaalsContact NE1-CG 3.31Å; I31-L59 HydrophobicContact CG2-CD1 3.51Å; I50-L59 HydrophobicContact CG2-CD1 4.07Å; R52-L59 HydrophobicContact CB-CD1 4.09Å; L59-C76 HydrophobicContact CD2-CB 4.11Å
60Y98.6Very high95.4Very high73 Ų7369.3 Ų69.329%0.28637%0.367SS..EExtended strand (participates in β ladder)trans-123.2144.3-179.5-60.1-86.1000110.6W16 I50 S51 D53 T58W16-Y60 PolarHBondContact NE1-O 2.99Å; I50-Y60 WeakPolarHBondContact CA-O 3.44Å; S51-Y60 PolarHBondContact N-O 3.04Å; S51-Y60 VanDerWaalsContact N-O 3.12Å; S51-Y60 PolarHBondContact O-N 2.74Å; D53-Y60 HydrophobicContact CB-CE2 3.89Å; T58-Y60 HydrophobicContact CG2-CD1 4.36Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.76Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å
61L97.9Very high95.3Very high23 Ų2373.6 Ų73.612%0.1239%0.393CS..EExtended strand (participates in β ladder)trans-126.8115.2168.9-171.868.3000106.4W16 I28 F48 I50 Y74W16-L61 HydrophobicContact CB-CD1 4.27Å; W16-L61 HydrophobicContact CD2-CB 3.89Å; W16-L61 HydrophobicContact CD2-CD1 4.45Å; W16-L61 HydrophobicContact CD2-CD2 4.02Å; W16-L61 HydrophobicContact CD2-CG 4.36Å; W16-L61 HydrophobicContact CE3-CB 4.47Å; W16-L61 HydrophobicContact CE3-CD2 4.11Å; W16-L61 HydrophobicContact CG-CB 4.21Å; W16-L61 HydrophobicContact CG-CD1 3.95Å; W16-L61 HydrophobicContact CG-CD2 4.19Å; W16-L61 HydrophobicContact CG-CG 4.36Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; I28-L61 HydrophobicContact CD1-CD2 3.83Å; I28-L61 HydrophobicContact CG2-CD1 4.29Å; F48-L61 HydrophobicContact CB-CD1 3.83Å; F48-L61 HydrophobicContact CD1-CD1 3.95Å; F48-L61 HydrophobicContact CD1-CD2 3.92Å; F48-L61 HydrophobicContact CD1-CG 3.94Å; F48-L61 HydrophobicContact CE1-CD2 4.34Å; F48-L61 HydrophobicContact CG-CD1 4.23Å; I50-L61 HydrophobicContact CG1-CD1 3.77Å; L61-Y74 HydrophobicContact CD2-CD1 3.56Å; L61-Y74 HydrophobicContact CD2-CE1 3.93Å
62Q97.2Very high95.2Very high104 Ų10472.8 Ų72.849%0.48639%0.389SS..EExtended strand (participates in β ladder)trans-99.5136.1174.7-57.5175.4-36.300109.1F48 I49 P64F48-Q62 WeakPolarHBondContact CA-O 3.43Å; I49-Q62 HydrophobicContact CB-CB 4.17Å; I49-Q62 PolarHBondContact N-O 3.09Å; I49-Q62 PolarHBondContact O-N 3.11Å; Q62-P64 WeakPolarHBondContact O-CD 3.02Å
63M94.8Very high95.1Very high75 Ų7576.7 Ų76.737%0.36941%0.411SS..  trans-119.681.6179.7-68.4175.6-76.200108.1F48 K65 V66 Y74F48-M63 HydrophobicContact CD1-CG 3.55Å; F48-M63 HydrophobicContact CD1-SD 4.31Å; F48-M63 HydrophobicContact CE1-CG 3.49Å; F48-M63 VanDerWaalsContact CE1-CG 3.49Å; F48-M63 HydrophobicContact CE1-SD 3.73Å; M63-K65 PolarHBondContact O-N 2.97Å; M63-V66 HydrophobicContact CB-CG2 4.11Å; M63-Y74 HydrophobicContact SD-CE1 4.33Å
64P92.1Very high95.1Very high88 Ų8877.7 Ų77.757%0.57141%0.412SS*.SBendtrans-62-27.1-173.622.6-33.7000113.2E47 I49 Q62E47-P64 WeakPolarHBondContact O-CD 3.25Å; I49-P64 HydrophobicContact CD1-CG 4.42Å; Q62-P64 WeakPolarHBondContact O-CD 3.02Å
65K90.3Very high95.1Very high150 Ų15079.4 Ų79.465%0.65242%0.415SS*.SBendtrans-129.3119.8172.6-63.7178.2-176.8174.60107.9M63M63-K65 PolarHBondContact O-N 2.97Å
66V90.1Very high95.1Very high114 Ų11479 Ų7969%0.69141%0.406SS*.  trans-100124.3176-179.40000108.7M63M63-V66 HydrophobicContact CB-CG2 4.11Å
67R91.3Very high95Very high108 Ų10876.6 Ų76.641%0.40840%0.398SS..  trans-117.2167.2175.9-52.7-178.4-157.814315.6110.2E47 E69 D70E47-R67 IonicContact OE1-CZ 2.74Å; E47-R67 IonicContact OE1-NH1 3.47Å; E47-R67 PolarHBondContact OE1-NH1 3.01Å; E47-R67 IonicContact OE1-NH2 3.39Å; E47-R67 PolarHBondContact OE1-NH2 3.26Å; R67-E69 PolarHBondContact O-N 3.13Å; R67-D70 PolarHBondContact N-OD2 2.74Å; R67-D70 WeakPolarHBondContact O-CB 3.3Å; R67-D70 PolarHBondContact O-N 3.48Å; R67-D70 VanDerWaalsContact O-N 3.1Å
68S90.6Very high94.8Very high101 Ų10177.2 Ų77.271%0.70640%0.4SS*.G310 helixtrans-58-34.4174.747.80000112.4D70 T71S68-D70 PolarHBondContact O-N 3.06Å; S68-T71 WeakPolarHBondContact O-CB 3.45Å; S68-T71 PolarHBondContact O-N 3.15Å; S68-T71 PolarHBondContact O-OG1 2.8Å
69E89.1Confident94.6Very high139 Ų13980.7 Ų80.765%0.6542%0.418SS*.G310 helixtrans-63.6-21178.1-66.2164.7-161.200113.4R67 T71R67-E69 PolarHBondContact O-N 3.13Å; E69-T71 PolarHBondContact O-N 3.37Å
70D91.4Very high94.4Very high10 Ų1085.4 Ų85.45%0.05344%0.442CS..G310 helixtrans-83.52179.3-59.5-47.9000113.1R18 R67 S68 A72 Y74R18-D70 IonicContact NH1-OD1 3.37Å; R18-D70 PolarHBondContact NH1-OD1 2.93Å; R67-D70 PolarHBondContact N-OD2 2.74Å; R67-D70 WeakPolarHBondContact O-CB 3.3Å; R67-D70 PolarHBondContact O-N 3.48Å; R67-D70 VanDerWaalsContact O-N 3.1Å; S68-D70 PolarHBondContact O-N 3.06Å; D70-A72 PolarHBondContact O-N 2.8Å; D70-Y74 WeakPolarHBondContact O-CE2 3.43Å; D70-Y74 PolarHBondContact O-OH 3.41Å
71T94.9Very high94.1Very high92 Ų9286.2 Ų86.256%0.56445%0.452SS*.  trans-68102.1177.9-54.60000110.2P21 S68 E69P21-T71 WeakPolarHBondContact CD-O 3.33Å; S68-T71 WeakPolarHBondContact O-CB 3.45Å; S68-T71 PolarHBondContact O-N 3.15Å; S68-T71 PolarHBondContact O-OG1 2.8Å; E69-T71 PolarHBondContact O-N 3.37Å
72A96.4Very high93.9Very high23 Ų2390.4 Ų90.419%0.1947%0.474CS..SBendtrans-156.3164.6-177.300000111.2R18 Q19 A20 D70 Y74R18-A72 HydrophobicContact CB-CB 3.94Å; R18-A72 HydrophobicContact CG-CB 4.42Å; Q19-A72 CarbonylContact O-C 3.45Å; Q19-A72 VanDerWaalsContact O-CA 3.32Å; Q19-A72 WeakPolarHBondContact O-CA 3.41Å; Q19-A72 WeakPolarHBondContact O-CB 3.2Å; A20-A72 HydrophobicContact CB-CB 4.35Å; D70-A72 PolarHBondContact O-N 2.8Å; A72-Y74 HydrophobicContact CB-CD2 4.46Å; A72-Y74 HydrophobicContact CB-CE2 3.91Å; A72-Y74 VanDerWaalsContact O-CD2 3.25Å; A72-Y74 WeakPolarHBondContact O-CD2 3.43Å; A72-Y74 WeakPolarHBondContact O-CE2 3.25Å
73L97.7Very high93.6Very high107 Ų10789.4 Ų89.456%0.5647%0.473SS*.EExtended strand (participates in β ladder)trans-80.1137.4160.2-65175.7000108.8R18 Q19 Y75R18-L73 CarbonylContact C-O 3.58Å; R18-L73 WeakPolarHBondContact CA-O 3.31Å; Q19-L73 PolarHBondContact N-O 3.02Å; Q19-L73 PolarHBondContact O-N 2.95Å; L73-Y75 HydrophobicContact CB-CE2 3.75Å; L73-Y75 VanDerWaalsContact CD1-OH 3.29Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.27Å
74Y97.9Very high93.6Very high60 Ų6090.5 Ų90.524%0.23548%0.481CS..EExtended strand (participates in β ladder)trans-116.4130.7-178.2-69.9-97.2000110R18 I28 F48 L61 M63 D70 A72R18-Y74 HydrophobicContact CB-CD1 3.84Å; R18-Y74 HydrophobicContact CB-CE1 3.79Å; R18-Y74 HydrophobicContact CB-CG 4.38Å; I28-Y74 HydrophobicContact CD1-CD1 3.76Å; I28-Y74 HydrophobicContact CD1-CE1 3.72Å; F48-Y74 AromaticContact CE1-CE1 3.74Å; F48-Y74 HydrophobicContact CE1-CE1 3.74Å; F48-Y74 HydrophobicContact CZ-CE1 4.22Å; L61-Y74 HydrophobicContact CD2-CD1 3.56Å; L61-Y74 HydrophobicContact CD2-CE1 3.93Å; M63-Y74 HydrophobicContact SD-CE1 4.33Å; D70-Y74 WeakPolarHBondContact O-CE2 3.43Å; D70-Y74 PolarHBondContact O-OH 3.41Å; A72-Y74 HydrophobicContact CB-CD2 4.46Å; A72-Y74 HydrophobicContact CB-CE2 3.91Å; A72-Y74 VanDerWaalsContact O-CD2 3.25Å; A72-Y74 WeakPolarHBondContact O-CD2 3.43Å; A72-Y74 WeakPolarHBondContact O-CE2 3.25Å
75Y98Very high93.7Very high96 Ų9690.8 Ų90.838%0.37647%0.474SS..EExtended strand (participates in β ladder)trans-122.5137.9-175.5-55.8-85000110.8W16 V17 Q19 L25 L73W16-Y75 CarbonylContact C-O 3.41Å; W16-Y75 WeakPolarHBondContact CA-O 3.32Å; V17-Y75 PolarHBondContact N-O 2.96Å; V17-Y75 PolarHBondContact O-N 2.59Å; Q19-Y75 HydrophobicContact CB-CE2 4.01Å; L25-Y75 HydrophobicContact CD2-CD2 4.29Å; L25-Y75 HydrophobicContact CD2-CE2 4.24Å; L73-Y75 HydrophobicContact CB-CE2 3.75Å; L73-Y75 VanDerWaalsContact CD1-OH 3.29Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.27Å
76C96.4Very high94Very high89 Ų8985.4 Ų85.460%0.60146%0.458SS*.  trans-123.80161.960.70000106.3C2 W16 L59C2-C76 HydrophobicContact CB-CB 3.48Å; C2-C76 VanDerWaalsContact CB-CB 3.48Å; C2-C76 WeakPolarHBondContact CB-SG 3.23Å; C2-C76 WeakPolarHBondContact SG-CB 3.38Å; C2-C76 CovalentContact SG-SG 1.99Å; C2-C76 PolarHBondContact SG-SG 3.17Å; W16-C76 HydrophobicContact CD2-CB 4.33Å; W16-C76 HydrophobicContact CE3-CB 4.12Å; W16-C76 HydrophobicContact CH2-CB 3.88Å; W16-C76 HydrophobicContact CZ2-CB 4.11Å; W16-C76 HydrophobicContact CZ3-CB 3.89Å; L59-C76 HydrophobicContact CD2-CB 4.11Å

Retrieved 76 of 76 residues in 16.2 ms (Link to these results)

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