X5J507_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J507, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 92 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
1G65.9Low87.9Confident118 Ų11886.9 Ų86.9100%1.21658%0.576SS**  0172.8000000109.5
2G80.8Confident88.6Confident46 Ų4681 Ų8147%0.47454%0.535SS..  trans-151.4155.9179.900000111.6L10G2-L10 WeakPolarHBondContact O-CD2 3.43Å
3L84.8Confident89.4Confident188 Ų18881.3 Ų81.398%0.98454%0.54SS*.  trans-79.1133.8169.8-65.2171.4000108.6
4V89.8Confident89.9Confident52 Ų5276.8 Ų76.832%0.31551%0.51SS..  trans-133.1142.7176.768.10000108.7L10 V78V4-L10 HydrophobicContact CG1-CB 4.35Å; V4-L10 HydrophobicContact CG1-CD2 4.47Å; V4-V78 HydrophobicContact CG1-CB 3.87Å; V4-V78 HydrophobicContact CG1-CG1 3.69Å; V4-V78 HydrophobicContact CG1-CG2 4.03Å
5Q89.1Confident90.5Very high153 Ų15377.1 Ų77.172%0.71552%0.521SS*.  trans-66.9147.9174.5-66.8-63.4-20.200110.3G7 G8Q5-G7 PolarHBondContact O-N 3.27Å; Q5-G8 PolarHBondContact O-N 3.34Å
6P89.7Confident90.8Very high100 Ų10073.4 Ų73.465%0.64950%0.498SS*.THydrogen-bonded Turntrans-51.5137.9173-26.534.9000112G8 V78P6-G8 PolarHBondContact O-N 2.99Å; P6-V78 CarbonylContact C-O 3.58Å; P6-V78 WeakPolarHBondContact CA-O 3.3Å
7G90.6Very high91.1Very high54 Ų5475.4 Ų75.456%0.55751%0.512SS*.THydrogen-bonded Turntrans83.8-11.9-174.900000114.7Q5 V78Q5-G7 PolarHBondContact O-N 3.27Å; G7-V78 PolarHBondContact N-O 3.1Å
8G92.6Very high91.4Very high24 Ų2475.9 Ų75.925%0.24753%0.532CS..  trans-72.8178.7174.800000113.8Q5 P6 K77 V78Q5-G8 PolarHBondContact O-N 3.34Å; P6-G8 PolarHBondContact O-N 2.99Å; G8-K77 WeakPolarHBondContact O-CA 3.28Å; G8-K77 PolarHBondContact O-N 3.5Å; G8-V78 WeakPolarHBondContact O-CG2 3.25Å; G8-V78 PolarHBondContact O-N 3.01Å
9S93.2Very high91.5Very high70 Ų7074.4 Ų74.449%0.4952%0.515SS..  trans-121.8146.8175.8-61.50000110.1M75S9-M75 CarbonylContact C-O 3.58Å; S9-M75 WeakPolarHBondContact CA-O 3.3Å; S9-M75 WeakPolarHBondContact CB-O 3.28Å
10L94.1Very high91.7Very high40 Ų4074.7 Ų74.721%0.20951%0.511CS..EExtended strand (participates in β ladder)trans-141.3139.9-179.8176.462.9000109.6G2 V4 L12 M75G2-L10 WeakPolarHBondContact O-CD2 3.43Å; V4-L10 HydrophobicContact CG1-CB 4.35Å; V4-L10 HydrophobicContact CG1-CD2 4.47Å; L10-L12 HydrophobicContact CD2-CD2 3.91Å; L10-L12 HydrophobicContact CG-CD2 4.07Å; L10-M75 HydrophobicContact CB-CE 3.59Å; L10-M75 HydrophobicContact CD2-CE 3.45Å; L10-M75 VanDerWaalsContact CD2-CE 3.45Å; L10-M75 HydrophobicContact CG-CE 3.55Å; L10-M75 PolarHBondContact N-O 3.12Å; L10-M75 PolarHBondContact O-N 3.07Å
11K96Very high91.9Very high111 Ų11171.1 Ų71.148%0.48349%0.487SS..EExtended strand (participates in β ladder)trans-112.5119.1172.7-166.4174.2-179.3176.10109.3Y72 L73 Q74K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.5Å; K11-L73 CarbonylContact C-O 3.56Å; K11-L73 WeakPolarHBondContact CA-O 3.24Å; K11-Q74 VanDerWaalsContact CB-OE1 3.22Å; K11-Q74 VanDerWaalsContact CG-OE1 3.29Å
12L97.3Very high93.3Very high16 Ų1667.7 Ų67.78%0.08444%0.444CS..EExtended strand (participates in β ladder)trans-90.7148.3170.4-54.3-178.8000109.6L10 W28 Y72 L73 M75 Y86L10-L12 HydrophobicContact CD2-CD2 3.91Å; L10-L12 HydrophobicContact CG-CD2 4.07Å; L12-W28 HydrophobicContact CB-CH2 3.92Å; L12-W28 HydrophobicContact CB-CZ2 4.4Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4.43Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.38Å; L12-L73 HydrophobicContact CB-CB 4.23Å; L12-L73 HydrophobicContact CD1-CD2 4.33Å; L12-L73 PolarHBondContact N-O 3.33Å; L12-L73 PolarHBondContact O-N 2.91Å; L12-M75 HydrophobicContact CD1-CE 4.03Å; L12-M75 HydrophobicContact CD1-SD 4.26Å; L12-M75 HydrophobicContact CD2-CE 4.18Å; L12-M75 HydrophobicContact CG-CE 3.83Å; L12-Y86 HydrophobicContact CD1-CD1 3.98Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.58Å
13S97.9Very high94Very high85 Ų8574.6 Ų74.659%0.59446%0.456SS*.EExtended strand (participates in β ladder)trans-128.4142.2172.258.70000110.3L71S13-L71 CarbonylContact C-O 3.59Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å
14C97.7Very high94.6Very high18 Ų1869.9 Ų69.912%0.12243%0.426CS..EExtended strand (participates in β ladder)trans-129.4112.2172.3163.40000109W28 T70 L71 C88C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.15Å; C14-T70 CarbonylContact O-C 3.42Å; C14-T70 VanDerWaalsContact O-CA 3.3Å; C14-T70 WeakPolarHBondContact O-CA 3.18Å; C14-L71 HydrophobicContact CB-CB 4.42Å; C14-L71 PolarHBondContact N-O 2.77Å; C14-L71 PolarHBondContact O-N 3.46Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.17Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.93Å
15A97.6Very high95Very high81 Ų8171.5 Ų71.567%0.66943%0.426SS*.EExtended strand (participates in β ladder)trans-86.4128.5174.100000109.5
16A96.3Very high95.4Very high19 Ų1964.4 Ų64.416%0.15739%0.393CS..  trans-96.7146.1177.800000111.2F19 F21 N69A16-F19 HydrophobicContact CB-CE1 3.68Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.57Å; A16-F21 HydrophobicContact CB-CB 4.37Å; A16-F21 HydrophobicContact CB-CD2 3.56Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.31Å; A16-N69 PolarHBondContact N-O 3.14Å
17S96.2Very high95.8Very high106 Ų10660.2 Ų60.274%0.74137%0.366SS*.  trans-145.5158.417562.60000110.4F19S17-F19 VanDerWaalsContact O-CD1 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.23Å
18G95.4Very high96.2Very high85 Ų8557.9 Ų57.988%0.87634%0.34SS*.SBendtrans80.210.2177.900000115.4
19F93.4Very high96.4Very high47 Ų4757.9 Ų57.921%0.20634%0.335CS..SBendtrans-159165.2172.465.6-81.9000112.3A16 S17 F21 Y24 M26 R90A16-F19 HydrophobicContact CB-CE1 3.68Å; A16-F19 HydrophobicContact CB-CE2 4.45Å; A16-F19 HydrophobicContact CB-CZ 3.57Å; S17-F19 VanDerWaalsContact O-CD1 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.23Å; F19-F21 HydrophobicContact CE2-CB 4.22Å; F19-F21 HydrophobicContact CE2-CD2 4.28Å; F19-F21 HydrophobicContact CZ-CD2 4.33Å; F19-F21 PolarHBondContact O-N 2.79Å; F19-Y24 AromaticContact CD2-CD2 3.72Å; F19-Y24 HydrophobicContact CD2-CD2 3.72Å; F19-Y24 HydrophobicContact CD2-CE2 4.11Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; F19-M26 HydrophobicContact CE2-SD 4.09Å; F19-M26 HydrophobicContact CZ-CE 4.25Å; F19-M26 HydrophobicContact CZ-SD 4.17Å; F19-R90 VanDerWaalsContact CD1-NH2 3.27Å; F19-R90 VanDerWaalsContact CD2-NH1 3.31Å
20D95.2Very high96.6Very high80 Ų8055.6 Ų55.643%0.42832%0.316SS..  trans-76.887.7173-174.7-6.6000110.5S22 R23 Y24D20-S22 PolarHBondContact O-N 3.24Å; D20-S22 VanDerWaalsContact O-N 3.1Å; D20-S22 WeakPolarHBondContact OD1-CB 3.42Å; D20-S22 PolarHBondContact OD1-N 2.81Å; D20-S22 PolarHBondContact OD1-OG 2.84Å; D20-R23 HydrophobicContact CB-CG 4.33Å; D20-R23 PolarHBondContact O-N 3.05Å; D20-R23 VanDerWaalsContact O-N 3.08Å; D20-R23 WeakPolarHBondContact OD2-CD 3.49Å; D20-R23 VanDerWaalsContact OD2-CG 3.22Å; D20-R23 WeakPolarHBondContact OD2-CG 3.48Å; D20-Y24 VanDerWaalsContact O-CD2 3.25Å; D20-Y24 WeakPolarHBondContact O-CD2 3.46Å
21F96.4Very high96.7Very high0 Ų056.9 Ų56.90%032%0.321CS..G310 helixtrans-50.1-35.8179.8177.1-97.2000113A16 F19 R23 Y24 M26 R64 N66 N69 L71A16-F21 HydrophobicContact CB-CB 4.37Å; A16-F21 HydrophobicContact CB-CD2 3.56Å; A16-F21 HydrophobicContact CB-CE2 4.24Å; A16-F21 HydrophobicContact CB-CG 4.31Å; F19-F21 HydrophobicContact CE2-CB 4.22Å; F19-F21 HydrophobicContact CE2-CD2 4.28Å; F19-F21 HydrophobicContact CZ-CD2 4.33Å; F19-F21 PolarHBondContact O-N 2.79Å; F21-R23 PolarHBondContact O-N 3.25Å; F21-R23 VanDerWaalsContact O-N 3.14Å; F21-Y24 PolarHBondContact O-N 2.83Å; F21-M26 HydrophobicContact CD2-CE 4.23Å; F21-M26 HydrophobicContact CD2-CG 4.03Å; F21-M26 HydrophobicContact CD2-SD 3.87Å; F21-M26 HydrophobicContact CE2-CB 4.49Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.51Å; F21-M26 HydrophobicContact CE2-SD 3.83Å; F21-M26 HydrophobicContact CZ-CG 3.97Å; F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.27Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 2.86Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.13Å; F21-N69 HydrophobicContact CB-CB 3.97Å; F21-N69 WeakPolarHBondContact CB-OD1 3.43Å; F21-N69 HydrophobicContact CD1-CB 4.49Å; F21-N69 HydrophobicContact CG-CB 4.22Å; F21-L71 HydrophobicContact CE2-CB 4.26Å; F21-L71 HydrophobicContact CZ-CB 4.18Å
22S96Very high96.7Very high46 Ų4652.2 Ų52.232%0.32230%0.303SS..G310 helixtrans-65.8-17.1-175.977.80000113.7D20 P45D20-S22 PolarHBondContact O-N 3.24Å; D20-S22 VanDerWaalsContact O-N 3.1Å; D20-S22 WeakPolarHBondContact OD1-CB 3.42Å; D20-S22 PolarHBondContact OD1-N 2.81Å; D20-S22 PolarHBondContact OD1-OG 2.84Å; S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.49Å
23R95.8Very high96.6Very high191 Ų19156.8 Ų56.872%0.72133%0.334SS*.G310 helixtrans-97-11.6-177.1-64.7-17275.2174.15114.7D20 F21D20-R23 HydrophobicContact CB-CG 4.33Å; D20-R23 PolarHBondContact O-N 3.05Å; D20-R23 VanDerWaalsContact O-N 3.08Å; D20-R23 WeakPolarHBondContact OD2-CD 3.49Å; D20-R23 VanDerWaalsContact OD2-CG 3.22Å; D20-R23 WeakPolarHBondContact OD2-CG 3.48Å; F21-R23 PolarHBondContact O-N 3.25Å; F21-R23 VanDerWaalsContact O-N 3.14Å
24Y96.6Very high96.5Very high90 Ų9057.2 Ų57.235%0.35335%0.351SS..SBendtrans-107.4146.8-175.6-65.9-89.6000111.8F19 D20 F21 R64F19-Y24 AromaticContact CD2-CD2 3.72Å; F19-Y24 HydrophobicContact CD2-CD2 3.72Å; F19-Y24 HydrophobicContact CD2-CE2 4.11Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; D20-Y24 VanDerWaalsContact O-CD2 3.25Å; D20-Y24 WeakPolarHBondContact O-CD2 3.46Å; F21-Y24 PolarHBondContact O-N 2.83Å; Y24-R64 PolarHBondContact O-NH1 2.86Å
25W97.8Very high96.4Very high85 Ų8561.9 Ų61.932%0.32237%0.37SS..  trans-62.6148.7156.9-73.564.7000109E42 I43 N44 T49 P91W25-E42 HydrophobicContact CE3-CB 4.27Å; W25-E42 HydrophobicContact CE3-CG 3.49Å; W25-E42 VanDerWaalsContact CE3-CG 3.49Å; W25-E42 HydrophobicContact CZ3-CG 3.64Å; W25-I43 WeakPolarHBondContact CA-O 3.44Å; W25-N44 HydrophobicContact CD2-CB 3.72Å; W25-N44 VanDerWaalsContact CE2-CB 3.4Å; W25-N44 HydrophobicContact CE3-CB 4.02Å; W25-N44 HydrophobicContact CG-CB 4.38Å; W25-N44 HydrophobicContact CH2-CB 3.82Å; W25-N44 HydrophobicContact CZ2-CB 3.47Å; W25-N44 VanDerWaalsContact CZ2-CB 3.47Å; W25-N44 HydrophobicContact CZ3-CB 4.07Å; W25-T49 HydrophobicContact CH2-CG2 4.07Å; W25-P91 HydrophobicContact CB-CG 3.97Å; W25-P91 WeakPolarHBondContact O-CD 3.24Å
26M98.2Very high96.3Very high5 Ų560.4 Ų60.43%0.02536%0.363CS..EExtended strand (participates in β ladder)trans-133131.4-178.9-63.3-60.3-51.300109.4F19 F21 E42 I43 L71 A89 R90F19-M26 HydrophobicContact CE2-SD 4.09Å; F19-M26 HydrophobicContact CZ-CE 4.25Å; F19-M26 HydrophobicContact CZ-SD 4.17Å; F21-M26 HydrophobicContact CD2-CE 4.23Å; F21-M26 HydrophobicContact CD2-CG 4.03Å; F21-M26 HydrophobicContact CD2-SD 3.87Å; F21-M26 HydrophobicContact CE2-CB 4.49Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.51Å; F21-M26 HydrophobicContact CE2-SD 3.83Å; F21-M26 HydrophobicContact CZ-CG 3.97Å; M26-E42 CarbonylContact O-C 3.57Å; M26-E42 WeakPolarHBondContact O-CA 3.48Å; M26-E42 WeakPolarHBondContact O-CB 3.45Å; M26-I43 HydrophobicContact CB-CG2 4.32Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 2.81Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.92Å; M26-L71 HydrophobicContact CB-CG 4.36Å; M26-A89 WeakPolarHBondContact CA-O 3.43Å; M26-A89 WeakPolarHBondContact CE-O 3.46Å; M26-R90 HydrophobicContact CE-CB 4.21Å; M26-R90 HydrophobicContact SD-CB 3.8Å
27S98.1Very high96.3Very high11 Ų1165.3 Ų65.38%0.07739%0.386CS..EExtended strand (participates in β ladder)trans-114.5152-175.1-43.70000111.7G41 E42 C88 A89S27-G41 CarbonylContact C-O 3.53Å; S27-G41 VanDerWaalsContact CA-O 3.29Å; S27-G41 WeakPolarHBondContact CA-O 3.33Å; S27-E42 WeakPolarHBondContact OG-CB 3.48Å; S27-C88 CarbonylContact O-C 3.55Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.39Å; S27-A89 PolarHBondContact N-O 2.71Å; S27-A89 PolarHBondContact O-N 3.2Å
28W98.2Very high96.3Very high6 Ų662.7 Ų62.72%0.02336%0.362CS..EExtended strand (participates in β ladder)trans-107.2135.9162.7-79.5100.9000110.2L12 C14 I40 G41 L71 Y72 L73 Y87 C88L12-W28 HydrophobicContact CB-CH2 3.92Å; L12-W28 HydrophobicContact CB-CZ2 4.4Å; L12-W28 HydrophobicContact CB-CZ3 4.48Å; L12-W28 HydrophobicContact CD1-CZ3 4.43Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.15Å; W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 2.89Å; W28-G41 PolarHBondContact N-O 3.28Å; W28-L71 HydrophobicContact CD2-CD2 4.24Å; W28-L71 HydrophobicContact CG-CD2 4.19Å; W28-L71 HydrophobicContact CZ2-CD2 4.25Å; W28-L71 HydrophobicContact CZ2-CG 4.3Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; W28-L71 VanDerWaalsContact NE1-CG 3.33Å; W28-Y72 PolarHBondContact NE1-O 3.21Å; W28-Y72 VanDerWaalsContact NE1-O 3.13Å; W28-L73 HydrophobicContact CB-CD1 4.33Å; W28-L73 HydrophobicContact CB-CD2 4.45Å; W28-L73 HydrophobicContact CD2-CB 3.87Å; W28-L73 HydrophobicContact CD2-CD1 4.48Å; W28-L73 HydrophobicContact CD2-CD2 4.05Å; W28-L73 HydrophobicContact CD2-CG 4.38Å; W28-L73 HydrophobicContact CE3-CB 4.46Å; W28-L73 HydrophobicContact CE3-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.2Å; W28-L73 HydrophobicContact CG-CD1 3.96Å; W28-L73 HydrophobicContact CG-CD2 4.16Å; W28-L73 HydrophobicContact CG-CG 4.35Å; W28-L73 HydrophobicContact CH2-CB 4.47Å; W28-L73 HydrophobicContact CZ2-CB 3.87Å; W28-Y87 WeakPolarHBondContact CA-O 3.32Å; W28-Y87 VanDerWaalsContact CE3-O 3.27Å; W28-C88 HydrophobicContact CZ3-CB 4.45Å
29V97.5Very high96.3Very high23 Ų2362.9 Ų62.914%0.13934%0.336CS..EExtended strand (participates in β ladder)trans-129.4144.6176.4-176.30000107.6L37 E38 Y86 Y87V29-L37 HydrophobicContact CG1-CB 3.86Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; V29-Y87 PolarHBondContact N-O 3.39Å; V29-Y87 PolarHBondContact O-N 3.03Å
30R96.4Very high96.5Very high22 Ų2260.7 Ų60.78%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-125.3156.7172.367.5179.1-167.6176.74.7112.3E38 I40 D82 A84 L85 Y86R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 2.86Å; R30-E38 VanDerWaalsContact CZ-OE2 3.29Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 3.64Å; R30-E38 PolarHBondContact NE-OE2 2.95Å; R30-E38 IonicContact NH2-OE2 3.29Å; R30-E38 PolarHBondContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 2.63Å; R30-I40 HydrophobicContact CB-CD1 4.02Å; R30-I40 HydrophobicContact CB-CG1 4.42Å; R30-I40 HydrophobicContact CG-CD1 4.08Å; R30-I40 HydrophobicContact CG-CG1 4.07Å; R30-D82 IonicContact NH1-OD1 2.95Å; R30-A84 HydrophobicContact CB-CB 3.96Å; R30-A84 HydrophobicContact CG-CB 4.48Å; R30-L85 CarbonylContact C-O 3.43Å; R30-L85 WeakPolarHBondContact CA-O 3.42Å; R30-L85 WeakPolarHBondContact CB-O 3.24Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CE1 3.86Å; R30-Y86 HydrophobicContact CB-CG 4.33Å
31Q97.3Very high96.6Very high67 Ų6756.9 Ų56.931%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-135.4105.5174.7-168.6178.623.300109.5K35 L37 A84 L85 Y87Q31-K35 WeakPolarHBondContact CG-O 3.41Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; Q31-L37 HydrophobicContact CG-CD2 4.48Å; Q31-A84 WeakPolarHBondContact O-CA 3.49Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; Q31-L85 PolarHBondContact N-O 2.83Å; Q31-L85 PolarHBondContact O-N 2.94Å; Q31-Y87 HydrophobicContact CB-CE2 3.93Å; Q31-Y87 PolarHBondContact OE1-OH 2.6Å
32A95.8Very high96.7Very high13 Ų1358.8 Ų58.811%0.10732%0.315CS..  trans-75.9154.1172.900000110.4G34 K35 A84A32-G34 PolarHBondContact O-N 3.45Å; A32-K35 HydrophobicContact CB-CB 4.23Å; A32-K35 HydrophobicContact CB-CD 4.05Å; A32-K35 HydrophobicContact CB-CG 4.18Å; A32-K35 PolarHBondContact O-N 2.88Å; A32-A84 HydrophobicContact CB-CB 4.34Å
33P95.4Very high96.8Very high112 Ų11256.7 Ų56.773%0.72730%0.3SS*.THydrogen-bonded Turntrans-53128.3175-2634.9000111.8K35P33-K35 PolarHBondContact O-N 2.8Å
34G95.8Very high96.9Very high94 Ų9448.2 Ų48.297%0.96927%0.269SS*.THydrogen-bonded Turntrans74.16.2-17900000115.5A32A32-G34 PolarHBondContact O-N 3.45Å
35K94.6Very high97Very high116 Ų11645.6 Ų45.650%0.50426%0.263SS..  trans-113.6159.4176-62.5-162.6-179.3-1800112.5Q31 A32 P33 E38Q31-K35 WeakPolarHBondContact CG-O 3.41Å; A32-K35 HydrophobicContact CB-CB 4.23Å; A32-K35 HydrophobicContact CB-CD 4.05Å; A32-K35 HydrophobicContact CB-CG 4.18Å; A32-K35 PolarHBondContact O-N 2.88Å; P33-K35 PolarHBondContact O-N 2.8Å; K35-E38 VanDerWaalsContact CD-OE1 3.28Å; K35-E38 WeakPolarHBondContact CD-OE1 3.5Å; K35-E38 IonicContact NZ-OE1 3.5Å; K35-E38 PolarHBondContact NZ-OE1 2.87Å
36G95.5Very high96.9Very high51 Ų5146.8 Ų46.853%0.52628%0.276SS..  trans-70.9-177.6168.400000112.7E38G36-E38 PolarHBondContact O-N 2.64Å
37L96.1Very high96.9Very high121 Ų12149.1 Ų49.163%0.63429%0.292SS*.  trans-69.1126.4172.7-67.4170.9000110V29 Q31 Y87V29-L37 HydrophobicContact CG1-CB 3.86Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; Q31-L37 HydrophobicContact CB-CD2 4.11Å; Q31-L37 HydrophobicContact CG-CD2 4.48Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.14Å
38E96Very high96.9Very high51 Ų5152.6 Ų52.624%0.23832%0.317CS..EExtended strand (participates in β ladder)trans-110.8116.1174.6-64.8179.6176.700108.6V29 R30 K35 G36V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 2.86Å; R30-E38 VanDerWaalsContact CZ-OE2 3.29Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 3.64Å; R30-E38 PolarHBondContact NE-OE2 2.95Å; R30-E38 IonicContact NH2-OE2 3.29Å; R30-E38 PolarHBondContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 2.63Å; K35-E38 VanDerWaalsContact CD-OE1 3.28Å; K35-E38 WeakPolarHBondContact CD-OE1 3.5Å; K35-E38 IonicContact NZ-OE1 3.5Å; K35-E38 PolarHBondContact NZ-OE1 2.87Å; G36-E38 PolarHBondContact O-N 2.64Å
39W97.1Very high96.9Very high90 Ų9055.1 Ų55.134%0.34133%0.333SS..EExtended strand (participates in β ladder)trans-70.3132.2173.6-177.885.2000110.3G41 E42 N51 Y52 T53W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; W39-E42 HydrophobicContact CH2-CG 4.45Å; W39-E42 HydrophobicContact CZ2-CB 3.9Å; W39-E42 HydrophobicContact CZ2-CG 3.65Å; W39-N51 HydrophobicContact CH2-CB 3.78Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; W39-T53 VanDerWaalsContact CE3-OG1 3.27Å; W39-T53 PolarHBondContact O-OG1 3.23Å
40I97.2Very high96.9Very high0 Ų057 Ų570%034%0.342CS..EExtended strand (participates in β ladder)trans-92.8-47.6179.4-61-178.8000110.3W28 R30 Y52 T53 L56 F60 L73 Y86W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 2.89Å; R30-I40 HydrophobicContact CB-CD1 4.02Å; R30-I40 HydrophobicContact CB-CG1 4.42Å; R30-I40 HydrophobicContact CG-CD1 4.08Å; R30-I40 HydrophobicContact CG-CG1 4.07Å; I40-Y52 WeakPolarHBondContact O-CA 3.43Å; I40-T53 PolarHBondContact O-N 2.01Å; I40-L56 HydrophobicContact CB-CD1 4.47Å; I40-L56 HydrophobicContact CG1-CD1 4.2Å; I40-F60 HydrophobicContact CD1-CE1 4.44Å; I40-F60 HydrophobicContact CG2-CB 3.94Å; I40-F60 HydrophobicContact CG2-CD1 4.47Å; I40-F60 HydrophobicContact CG2-CD2 4.09Å; I40-F60 HydrophobicContact CG2-CG 3.91Å; I40-L73 HydrophobicContact CD1-CD2 3.87Å; I40-L73 HydrophobicContact CG2-CD1 4.39Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.64Å
41G97.7Very high96.9Very high0 Ų059.1 Ų59.10%036%0.355CS..EExtended strand (participates in β ladder)trans167.1175.8-172.200000111.8S27 W28 W39 N51S27-G41 CarbonylContact C-O 3.53Å; S27-G41 VanDerWaalsContact CA-O 3.29Å; S27-G41 WeakPolarHBondContact CA-O 3.33Å; W28-G41 PolarHBondContact N-O 3.28Å; W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.41Å
42E98Very high96.9Very high40 Ų4058 Ų5819%0.18735%0.348CS..EExtended strand (participates in β ladder)trans-147.6156.5178.170.3-173.3161.200111.7W25 M26 S27 W39 I50 N51W25-E42 HydrophobicContact CE3-CB 4.27Å; W25-E42 HydrophobicContact CE3-CG 3.49Å; W25-E42 VanDerWaalsContact CE3-CG 3.49Å; W25-E42 HydrophobicContact CZ3-CG 3.64Å; M26-E42 CarbonylContact O-C 3.57Å; M26-E42 WeakPolarHBondContact O-CA 3.48Å; M26-E42 WeakPolarHBondContact O-CB 3.45Å; S27-E42 WeakPolarHBondContact OG-CB 3.48Å; W39-E42 HydrophobicContact CH2-CG 4.45Å; W39-E42 HydrophobicContact CZ2-CB 3.9Å; W39-E42 HydrophobicContact CZ2-CG 3.65Å; E42-I50 CarbonylContact O-C 3.58Å; E42-I50 VanDerWaalsContact O-CA 3.3Å; E42-I50 WeakPolarHBondContact O-CA 3.41Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.4Å; E42-N51 HydrophobicContact CG-CB 4.1Å; E42-N51 PolarHBondContact N-O 3.17Å; E42-N51 PolarHBondContact O-N 3.05Å; E42-N51 PolarHBondContact OE1-ND2 2.78Å
43I98.5Very high96.9Very high2 Ų259 Ų591%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-126.8135.3179.5-175.3161.4000109.9W25 M26 I50 I62 R64 L71W25-I43 WeakPolarHBondContact CA-O 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.32Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 2.81Å; I43-I50 HydrophobicContact CB-CG1 4.38Å; I43-I50 HydrophobicContact CB-CG2 4.48Å; I43-I50 HydrophobicContact CD1-CD1 3.92Å; I43-I50 HydrophobicContact CD1-CG1 3.97Å; I43-I50 HydrophobicContact CG1-CD1 4.48Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I43-I62 HydrophobicContact CB-CG2 3.88Å; I43-I62 HydrophobicContact CG2-CG2 3.63Å; I43-R64 HydrophobicContact CD1-CG 3.98Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-R64 HydrophobicContact CG2-CB 4.46Å; I43-R64 HydrophobicContact CG2-CG 4.48Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å
44N97.7Very high96.8Very high14 Ų1459.2 Ų59.28%0.07535%0.354CS..  trans-76.2165.7179.176.7-25.6000112W25 D46 S47 S48 T49 R64W25-N44 HydrophobicContact CD2-CB 3.72Å; W25-N44 VanDerWaalsContact CE2-CB 3.4Å; W25-N44 HydrophobicContact CE3-CB 4.02Å; W25-N44 HydrophobicContact CG-CB 4.38Å; W25-N44 HydrophobicContact CH2-CB 3.82Å; W25-N44 HydrophobicContact CZ2-CB 3.47Å; W25-N44 VanDerWaalsContact CZ2-CB 3.47Å; W25-N44 HydrophobicContact CZ3-CB 4.07Å; N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 PolarHBondContact ND2-OD1 2.86Å; N44-D46 PolarHBondContact O-N 2.79Å; N44-D46 PolarHBondContact OD1-OD1 3.4Å; N44-D46 VanDerWaalsContact OD1-OD1 3.12Å; N44-S47 PolarHBondContact O-N 2.92Å; N44-S47 VanDerWaalsContact O-N 3.16Å; N44-S47 VanDerWaalsContact OD1-C 3.32Å; N44-S47 VanDerWaalsContact OD1-CA 3.26Å; N44-S47 WeakPolarHBondContact OD1-CA 3.49Å; N44-S47 PolarHBondContact OD1-N 3.07Å; N44-S47 VanDerWaalsContact OD1-N 3.07Å; N44-S48 PolarHBondContact ND2-OG 2.9Å; N44-S48 PolarHBondContact OD1-N 3.42Å; N44-T49 PolarHBondContact N-O 3.44Å; N44-T49 VanDerWaalsContact N-O 3.14Å; N44-T49 PolarHBondContact OD1-N 2.88Å; N44-T49 PolarHBondContact OD1-O 3.26Å; N44-T49 VanDerWaalsContact OD1-O 3.1Å; N44-R64 WeakPolarHBondContact O-CD 3.41Å; N44-R64 PolarHBondContact O-NH1 2.9Å; N44-R64 VanDerWaalsContact O-NH1 3.11Å
45P97.8Very high96.6Very high35 Ų3559.2 Ų59.223%0.22734%0.34CS..THydrogen-bonded Turntrans-43.7-47.5179.2-41.944.5000117.2S22 R64 N66S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.49Å; P45-R64 VanDerWaalsContact CA-NH1 3.3Å; P45-N66 PolarHBondContact O-ND2 2.96Å
46D96.8Very high96.4Very high110 Ų11054.2 Ų54.259%0.58832%0.318SS*.THydrogen-bonded Turntrans-94.12.7-174.566.310.5000113.3N44 S48N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 PolarHBondContact ND2-OD1 2.86Å; N44-D46 PolarHBondContact O-N 2.79Å; N44-D46 PolarHBondContact OD1-OD1 3.4Å; N44-D46 VanDerWaalsContact OD1-OD1 3.12Å; D46-S48 PolarHBondContact O-N 3.2Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.29Å; D46-S48 PolarHBondContact OD1-N 2.9Å; D46-S48 PolarHBondContact OD1-OG 2.9Å; D46-S48 PolarHBondContact OD2-OG 3.46Å
47S97.4Very high96.1Very high53 Ų5357.9 Ų57.937%0.37132%0.32SS..SBendtrans62.411.8-177.8-47.60000115.5N44 T49 R64N44-S47 PolarHBondContact O-N 2.92Å; N44-S47 VanDerWaalsContact O-N 3.16Å; N44-S47 VanDerWaalsContact OD1-C 3.32Å; N44-S47 VanDerWaalsContact OD1-CA 3.26Å; N44-S47 WeakPolarHBondContact OD1-CA 3.49Å; N44-S47 PolarHBondContact OD1-N 3.07Å; N44-S47 VanDerWaalsContact OD1-N 3.07Å; S47-T49 VanDerWaalsContact C-N 3.3Å; S47-R64 WeakPolarHBondContact OG-CD 3.36Å; S47-R64 VanDerWaalsContact OG-CG 3.24Å; S47-R64 WeakPolarHBondContact OG-CG 3.23Å
48S97.7Very high95.8Very high85 Ų8559.8 Ų59.859%0.59433%0.33SS*.SBendtrans-72.7-23.7177.463.20000113.1N44 D46N44-S48 PolarHBondContact ND2-OG 2.9Å; N44-S48 PolarHBondContact OD1-N 3.42Å; D46-S48 PolarHBondContact O-N 3.2Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.29Å; D46-S48 PolarHBondContact OD1-N 2.9Å; D46-S48 PolarHBondContact OD1-OG 2.9Å; D46-S48 PolarHBondContact OD2-OG 3.46Å
49T97.9Very high95.6Very high59 Ų5959.6 Ų59.636%0.36233%0.329SS..  trans-128.6132.3-178.5-56.60000110.8W25 N44 S47W25-T49 HydrophobicContact CH2-CG2 4.07Å; N44-T49 PolarHBondContact N-O 3.44Å; N44-T49 VanDerWaalsContact N-O 3.14Å; N44-T49 PolarHBondContact OD1-N 2.88Å; N44-T49 PolarHBondContact OD1-O 3.26Å; N44-T49 VanDerWaalsContact OD1-O 3.1Å; S47-T49 VanDerWaalsContact C-N 3.3Å
50I97.8Very high95.4Very high63 Ų6355.5 Ų55.532%0.32331%0.313SS..EExtended strand (participates in β ladder)trans-132.2120172.1-45178.6000108.8E42 I43 Y52 I62E42-I50 CarbonylContact O-C 3.58Å; E42-I50 VanDerWaalsContact O-CA 3.3Å; E42-I50 WeakPolarHBondContact O-CA 3.41Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.4Å; I43-I50 HydrophobicContact CB-CG1 4.38Å; I43-I50 HydrophobicContact CB-CG2 4.48Å; I43-I50 HydrophobicContact CD1-CD1 3.92Å; I43-I50 HydrophobicContact CD1-CG1 3.97Å; I43-I50 HydrophobicContact CG1-CD1 4.48Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I50-Y52 HydrophobicContact CB-CE2 3.82Å; I50-Y52 HydrophobicContact CG2-CD2 3.95Å; I50-Y52 HydrophobicContact CG2-CE1 4.33Å; I50-Y52 HydrophobicContact CG2-CE2 3.23Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; I50-I62 HydrophobicContact CG2-CB 4.19Å; I50-I62 HydrophobicContact CG2-CD1 4.39Å
51N97.3Very high95.4Very high66 Ų6660.1 Ų60.135%0.35334%0.337SS..EExtended strand (participates in β ladder)trans-97.7145.2173.6-60.3-37.4000109.4W39 G41 E42W39-N51 HydrophobicContact CH2-CB 3.78Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.41Å; E42-N51 HydrophobicContact CG-CB 4.1Å; E42-N51 PolarHBondContact N-O 3.17Å; E42-N51 PolarHBondContact O-N 3.05Å; E42-N51 PolarHBondContact OE1-ND2 2.78Å
52Y97.3Very high95.4Very high42 Ų4260.2 Ų60.217%0.16534%0.338CS..EExtended strand (participates in β ladder)trans-135.7152.9179.7-71.4-87000110.9W39 I40 I50 P54 K57 F60 I62W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; I40-Y52 WeakPolarHBondContact O-CA 3.43Å; I50-Y52 HydrophobicContact CB-CE2 3.82Å; I50-Y52 HydrophobicContact CG2-CD2 3.95Å; I50-Y52 HydrophobicContact CG2-CE1 4.33Å; I50-Y52 HydrophobicContact CG2-CE2 3.23Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; Y52-P54 WeakPolarHBondContact O-CD 3.31Å; Y52-K57 HydrophobicContact CD2-CG 4Å; Y52-K57 HydrophobicContact CG-CB 4.19Å; Y52-K57 HydrophobicContact CG-CG 4.11Å; Y52-F60 VanDerWaalsContact CE1-O 3.28Å; Y52-F60 WeakPolarHBondContact CE1-O 2.96Å; Y52-I62 HydrophobicContact CD1-CD1 4.29Å; Y52-I62 HydrophobicContact CE1-CB 4.5Å; Y52-I62 HydrophobicContact CE1-CD1 3.78Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.03Å
53T95.8Very high95.5Very high36 Ų3660.3 Ų60.322%0.22134%0.343CS..  trans-62.5124157.2-69.30000108.3W39 I40 S55 L56 K57W39-T53 VanDerWaalsContact CE3-OG1 3.27Å; W39-T53 PolarHBondContact O-OG1 3.23Å; I40-T53 PolarHBondContact O-N 2.01Å; T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.01Å; T53-S55 PolarHBondContact O-N 2.79Å; T53-S55 VanDerWaalsContact O-N 3.1Å; T53-L56 HydrophobicContact CG2-CD1 4.25Å; T53-L56 HydrophobicContact CG2-CG 4.13Å; T53-L56 PolarHBondContact O-N 3.01Å; T53-K57 PolarHBondContact O-N 2.84Å
54P93.9Very high95.5Very high116 Ų11661.4 Ų61.475%0.75335%0.347SS*.THydrogen-bonded Turntrans-53-38.9-171.8-31.135.9000114.5Y52 L56Y52-P54 WeakPolarHBondContact O-CD 3.31Å; P54-L56 PolarHBondContact O-N 3.13Å
55S90.6Very high95.5Very high94 Ų9462.7 Ų62.766%0.65735%0.353SS*.THydrogen-bonded Turntrans-71.8-11.5179.858.20000114.7T53T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.01Å; T53-S55 PolarHBondContact O-N 2.79Å; T53-S55 VanDerWaalsContact O-N 3.1Å
56L90.1Very high95.5Very high10 Ų1063.8 Ų63.85%0.05236%0.358CS..THydrogen-bonded Turntrans-112-13.8-175.5-58.6-176.7000112.8I40 T53 P54 D58 K59 F60I40-L56 HydrophobicContact CB-CD1 4.47Å; I40-L56 HydrophobicContact CG1-CD1 4.2Å; T53-L56 HydrophobicContact CG2-CD1 4.25Å; T53-L56 HydrophobicContact CG2-CG 4.13Å; T53-L56 PolarHBondContact O-N 3.01Å; P54-L56 PolarHBondContact O-N 3.13Å; L56-D58 VanDerWaalsContact C-N 3.28Å; L56-D58 PolarHBondContact O-N 3.11Å; L56-K59 PolarHBondContact O-N 2.82Å; L56-F60 HydrophobicContact CB-CD2 3.85Å; L56-F60 HydrophobicContact CB-CE2 4.2Å; L56-F60 HydrophobicContact CD2-CE2 4.01Å; L56-F60 HydrophobicContact CG-CE2 4.49Å; L56-F60 WeakPolarHBondContact O-CD2 3.35Å; L56-F60 PolarHBondContact O-N 2.95Å
57K89.3Confident95.5Very high129 Ų12963.2 Ų63.256%0.56137%0.368SS*.THydrogen-bonded Turntrans-53.4-38.9-174.6-176179.9176.8-177.60114.1Y52 T53 K59Y52-K57 HydrophobicContact CD2-CG 4Å; Y52-K57 HydrophobicContact CG-CB 4.19Å; Y52-K57 HydrophobicContact CG-CG 4.11Å; T53-K57 PolarHBondContact O-N 2.84Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 2.83Å
58D89.8Confident95.5Very high160 Ų16066.9 Ų66.986%0.85638%0.377SS*.THydrogen-bonded Turntrans-83.3-8.3-175.6-60.5-31.2000113.7L56L56-D58 VanDerWaalsContact C-N 3.28Å; L56-D58 PolarHBondContact O-N 3.11Å
59K91.3Very high95.5Very high48 Ų4865.9 Ų65.921%0.20937%0.365CS..THydrogen-bonded Turntrans-102.1-33.7-177.2-72.7-177.7165.2-166.50113.4L56 K57 R79 E81 D82L56-K59 PolarHBondContact O-N 2.82Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 2.83Å; K59-R79 VanDerWaalsContact CE-NH2 3.29Å; K59-E81 IonicContact NZ-OE2 2.88Å; K59-D82 IonicContact NZ-OD1 3.78Å; K59-D82 PolarHBondContact NZ-OD1 2.61Å; K59-D82 IonicContact NZ-OD2 2.71Å
60F94.6Very high95.5Very high3 Ų363.8 Ų63.81%0.01335%0.352CS..EExtended strand (participates in β ladder)trans-116.7133.8-170.2-63.7-82.6000110.2I40 Y52 L56 L73 Q74 M75 Y86I40-F60 HydrophobicContact CD1-CE1 4.44Å; I40-F60 HydrophobicContact CG2-CB 3.94Å; I40-F60 HydrophobicContact CG2-CD1 4.47Å; I40-F60 HydrophobicContact CG2-CD2 4.09Å; I40-F60 HydrophobicContact CG2-CG 3.91Å; Y52-F60 VanDerWaalsContact CE1-O 3.28Å; Y52-F60 WeakPolarHBondContact CE1-O 2.96Å; L56-F60 HydrophobicContact CB-CD2 3.85Å; L56-F60 HydrophobicContact CB-CE2 4.2Å; L56-F60 HydrophobicContact CD2-CE2 4.01Å; L56-F60 HydrophobicContact CG-CE2 4.49Å; L56-F60 WeakPolarHBondContact O-CD2 3.35Å; L56-F60 PolarHBondContact O-N 2.95Å; F60-L73 HydrophobicContact CB-CD1 3.92Å; F60-L73 HydrophobicContact CD1-CD1 3.99Å; F60-L73 HydrophobicContact CD1-CD2 3.77Å; F60-L73 HydrophobicContact CD1-CG 3.88Å; F60-L73 HydrophobicContact CE1-CD2 4.17Å; F60-L73 HydrophobicContact CG-CD1 4.35Å; F60-Q74 WeakPolarHBondContact CA-O 3.01Å; F60-M75 HydrophobicContact CD1-CB 4.47Å; F60-M75 HydrophobicContact CD1-CG 3.59Å; F60-M75 HydrophobicContact CD1-SD 4.15Å; F60-M75 HydrophobicContact CE1-CB 4.4Å; F60-M75 HydrophobicContact CE1-CG 3.57Å; F60-M75 HydrophobicContact CE1-SD 3.59Å; F60-M75 VanDerWaalsContact CE1-SD 3.59Å; F60-Y86 AromaticContact CE1-CE1 3.86Å; F60-Y86 HydrophobicContact CE1-CE1 3.86Å; F60-Y86 HydrophobicContact CZ-CE1 4.35Å
61I96.8Very high95.6Very high97 Ų9760.8 Ų60.850%0.49734%0.337SS..EExtended strand (participates in β ladder)trans-117.7115.8171.5-54.7169.3000108Q74I61-Q74 HydrophobicContact CB-CB 4.13Å; I61-Q74 PolarHBondContact N-O 3.27Å; I61-Q74 PolarHBondContact O-N 3.16Å
62I98Very high95.6Very high3 Ų359.5 Ų59.52%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-87.4135.8175-57.8172.9000108.6I43 I50 Y52 L71 L73I43-I62 HydrophobicContact CB-CG2 3.88Å; I43-I62 HydrophobicContact CG2-CG2 3.63Å; I50-I62 HydrophobicContact CG2-CB 4.19Å; I50-I62 HydrophobicContact CG2-CD1 4.39Å; Y52-I62 HydrophobicContact CD1-CD1 4.29Å; Y52-I62 HydrophobicContact CE1-CB 4.5Å; Y52-I62 HydrophobicContact CE1-CD1 3.78Å; Y52-I62 HydrophobicContact CE1-CG1 3.8Å; Y52-I62 PolarHBondContact OH-N 3.03Å; I62-L71 HydrophobicContact CG2-CD1 4.02Å; I62-L73 HydrophobicContact CG1-CD1 3.7Å
63S98.3Very high95.7Very high42 Ų4257.5 Ų57.529%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-147162.5171.451.70000110.2Y72S63-Y72 PolarHBondContact N-O 3.11Å; S63-Y72 VanDerWaalsContact N-O 3.11Å; S63-Y72 PolarHBondContact O-N 2.85Å
64R98.4Very high95.7Very high24 Ų2458.6 Ų58.69%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-138.8154.7-178.563.3-175.2-67.3158.72.6111.4F21 Y24 I43 N44 P45 S47 N66 T70 L71F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.27Å; F21-R64 HydrophobicContact CZ-CB 4.09Å; F21-R64 PolarHBondContact O-NH2 2.86Å; Y24-R64 PolarHBondContact O-NH1 2.86Å; I43-R64 HydrophobicContact CD1-CG 3.98Å; I43-R64 HydrophobicContact CG1-CG 4.41Å; I43-R64 HydrophobicContact CG2-CB 4.46Å; I43-R64 HydrophobicContact CG2-CG 4.48Å; N44-R64 WeakPolarHBondContact O-CD 3.41Å; N44-R64 PolarHBondContact O-NH1 2.9Å; N44-R64 VanDerWaalsContact O-NH1 3.11Å; P45-R64 VanDerWaalsContact CA-NH1 3.3Å; S47-R64 WeakPolarHBondContact OG-CD 3.36Å; S47-R64 VanDerWaalsContact OG-CG 3.24Å; S47-R64 WeakPolarHBondContact OG-CG 3.23Å; R64-N66 VanDerWaalsContact CZ-OD1 3.22Å; R64-N66 PolarHBondContact NE-OD1 2.89Å; R64-N66 PolarHBondContact NH2-OD1 2.96Å; R64-T70 CarbonylContact C-O 3.51Å; R64-T70 WeakPolarHBondContact CA-O 3.23Å; R64-L71 HydrophobicContact CB-CD1 4.09Å
65D98.1Very high95.7Very high41 Ų4153.5 Ų53.522%0.21929%0.288CS..EExtended strand (participates in β ladder)trans-127.9106.9170.9-176.8-24.1000108.4A67 K68 N69 T70 Y72D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.21Å; D65-A67 PolarHBondContact OD1-N 3.05Å; D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 CarbonylContact O-C 3.6Å; D65-K68 PolarHBondContact O-N 3.11Å; D65-K68 PolarHBondContact OD1-N 3Å; D65-K68 WeakPolarHBondContact OD2-CD 3.41Å; D65-K68 WeakPolarHBondContact OD2-CG 3.07Å; D65-K68 IonicContact OD2-NZ 2.83Å; D65-K68 PolarHBondContact OD2-NZ 2.79Å; D65-N69 PolarHBondContact O-N 2.85Å; D65-T70 PolarHBondContact N-O 2.75Å; D65-T70 PolarHBondContact O-N 3.1Å; D65-Y72 HydrophobicContact CB-CE2 3.86Å
66N97.8Very high95.7Very high59 Ų5951.5 Ų51.532%0.31628%0.275SS..THydrogen-bonded Turntrans-71.2-29.8-177.5-71.1-16.6000112.3F21 P45 R64 K68 N69F21-N66 WeakPolarHBondContact CE1-OD1 3.13Å; P45-N66 PolarHBondContact O-ND2 2.96Å; R64-N66 VanDerWaalsContact CZ-OD1 3.22Å; R64-N66 PolarHBondContact NE-OD1 2.89Å; R64-N66 PolarHBondContact NH2-OD1 2.96Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 2.84Å; N66-N69 PolarHBondContact O-N 3.35Å; N66-N69 PolarHBondContact O-OD1 2.74Å
67A97Very high95.8Very high98 Ų9859 Ų5981%0.8131%0.307SS*.THydrogen-bonded Turntrans-70.4-29.2176.700000111.5D65D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.21Å; D65-A67 PolarHBondContact OD1-N 3.05Å
68K97.8Very high96Very high129 Ų12953.7 Ų53.756%0.56129%0.285SS*.THydrogen-bonded Turntrans-97.31.8176.7-60.9-167.4-17293.70114.4D65 N66 T70D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 CarbonylContact O-C 3.6Å; D65-K68 PolarHBondContact O-N 3.11Å; D65-K68 PolarHBondContact OD1-N 3Å; D65-K68 WeakPolarHBondContact OD2-CD 3.41Å; D65-K68 WeakPolarHBondContact OD2-CG 3.07Å; D65-K68 IonicContact OD2-NZ 2.83Å; D65-K68 PolarHBondContact OD2-NZ 2.79Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-K68 PolarHBondContact O-N 2.84Å; K68-T70 PolarHBondContact O-N 3.08Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.84Å
69N97.8Very high96.1Very high64 Ų6451.6 Ų51.634%0.34227%0.265SS..THydrogen-bonded Turntrans4640.6-171-62-35.8000112.8A16 F21 D65 N66A16-N69 PolarHBondContact N-O 3.14Å; F21-N69 HydrophobicContact CB-CB 3.97Å; F21-N69 WeakPolarHBondContact CB-OD1 3.43Å; F21-N69 HydrophobicContact CD1-CB 4.49Å; F21-N69 HydrophobicContact CG-CB 4.22Å; D65-N69 PolarHBondContact O-N 2.85Å; N66-N69 PolarHBondContact O-N 3.35Å; N66-N69 PolarHBondContact O-OD1 2.74Å
70T98.4Very high96.1Very high15 Ų1554 Ų549%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-124.1130.4-170.1-59.20000111.8C14 R64 D65 K68 Y72C14-T70 CarbonylContact O-C 3.42Å; C14-T70 VanDerWaalsContact O-CA 3.3Å; C14-T70 WeakPolarHBondContact O-CA 3.18Å; R64-T70 CarbonylContact C-O 3.51Å; R64-T70 WeakPolarHBondContact CA-O 3.23Å; D65-T70 PolarHBondContact N-O 2.75Å; D65-T70 PolarHBondContact O-N 3.1Å; K68-T70 PolarHBondContact O-N 3.08Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 2.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.1Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.92Å
71L98.6Very high95.9Very high0 Ų059.1 Ų59.10%031%0.312CS..EExtended strand (participates in β ladder)trans-97.5142.1170.6-171.371.1000110.1S13 C14 F21 M26 W28 I43 I62 R64 C88S13-L71 CarbonylContact C-O 3.59Å; S13-L71 WeakPolarHBondContact CA-O 3.37Å; C14-L71 HydrophobicContact CB-CB 4.42Å; C14-L71 PolarHBondContact N-O 2.77Å; C14-L71 PolarHBondContact O-N 3.46Å; F21-L71 HydrophobicContact CE2-CB 4.26Å; F21-L71 HydrophobicContact CZ-CB 4.18Å; M26-L71 HydrophobicContact CB-CD1 3.77Å; M26-L71 HydrophobicContact CB-CD2 3.92Å; M26-L71 HydrophobicContact CB-CG 4.36Å; W28-L71 HydrophobicContact CD2-CD2 4.24Å; W28-L71 HydrophobicContact CG-CD2 4.19Å; W28-L71 HydrophobicContact CZ2-CD2 4.25Å; W28-L71 HydrophobicContact CZ2-CG 4.3Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; W28-L71 VanDerWaalsContact NE1-CG 3.33Å; I43-L71 HydrophobicContact CG2-CD1 3.54Å; I62-L71 HydrophobicContact CG2-CD1 4.02Å; R64-L71 HydrophobicContact CB-CD1 4.09Å; L71-C88 HydrophobicContact CD2-CB 3.99Å
72Y98.4Very high95.7Very high39 Ų3955 Ų5515%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-124.7147.8179.4-56.5-77.5000112K11 L12 W28 S63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.46Å; K11-Y72 VanDerWaalsContact CE-CD1 3.5Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.38Å; W28-Y72 PolarHBondContact NE1-O 3.21Å; W28-Y72 VanDerWaalsContact NE1-O 3.13Å; S63-Y72 PolarHBondContact N-O 3.11Å; S63-Y72 VanDerWaalsContact N-O 3.11Å; S63-Y72 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.1Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.92Å
73L97.9Very high95.5Very high0 Ų059.3 Ų59.30%032%0.317CS..EExtended strand (participates in β ladder)trans-127.6110.7169.4-168.867.4000108.7K11 L12 W28 I40 F60 I62 M75 Y86K11-L73 CarbonylContact C-O 3.56Å; K11-L73 WeakPolarHBondContact CA-O 3.24Å; L12-L73 HydrophobicContact CB-CB 4.23Å; L12-L73 HydrophobicContact CD1-CD2 4.33Å; L12-L73 PolarHBondContact N-O 3.33Å; L12-L73 PolarHBondContact O-N 2.91Å; W28-L73 HydrophobicContact CB-CD1 4.33Å; W28-L73 HydrophobicContact CB-CD2 4.45Å; W28-L73 HydrophobicContact CD2-CB 3.87Å; W28-L73 HydrophobicContact CD2-CD1 4.48Å; W28-L73 HydrophobicContact CD2-CD2 4.05Å; W28-L73 HydrophobicContact CD2-CG 4.38Å; W28-L73 HydrophobicContact CE3-CB 4.46Å; W28-L73 HydrophobicContact CE3-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.2Å; W28-L73 HydrophobicContact CG-CD1 3.96Å; W28-L73 HydrophobicContact CG-CD2 4.16Å; W28-L73 HydrophobicContact CG-CG 4.35Å; W28-L73 HydrophobicContact CH2-CB 4.47Å; W28-L73 HydrophobicContact CZ2-CB 3.87Å; I40-L73 HydrophobicContact CD1-CD2 3.87Å; I40-L73 HydrophobicContact CG2-CD1 4.39Å; F60-L73 HydrophobicContact CB-CD1 3.92Å; F60-L73 HydrophobicContact CD1-CD1 3.99Å; F60-L73 HydrophobicContact CD1-CD2 3.77Å; F60-L73 HydrophobicContact CD1-CG 3.88Å; F60-L73 HydrophobicContact CE1-CD2 4.17Å; F60-L73 HydrophobicContact CG-CD1 4.35Å; I62-L73 HydrophobicContact CG1-CD1 3.7Å; L73-M75 HydrophobicContact CD2-CG 4.41Å; L73-M75 HydrophobicContact CD2-SD 4.27Å; L73-M75 HydrophobicContact CG-CG 4.26Å; L73-Y86 HydrophobicContact CD2-CD1 3.64Å; L73-Y86 HydrophobicContact CD2-CE1 3.88Å
74Q96.7Very high95.4Very high59 Ų5958.4 Ų58.428%0.27631%0.313SS..EExtended strand (participates in β ladder)trans-90.3130.6172.7-177.273.821.800109.1K11 F60 I61K11-Q74 VanDerWaalsContact CB-OE1 3.22Å; K11-Q74 VanDerWaalsContact CG-OE1 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.01Å; I61-Q74 HydrophobicContact CB-CB 4.13Å; I61-Q74 PolarHBondContact N-O 3.27Å; I61-Q74 PolarHBondContact O-N 3.16Å
75M94.4Very high95.3Very high9 Ų962.3 Ų62.34%0.04434%0.335CS..EExtended strand (participates in β ladder)trans-123.1131.6-179.9-52.3179.6-63.200108.1S9 L10 L12 F60 L73 V78 Y86S9-M75 CarbonylContact C-O 3.58Å; S9-M75 WeakPolarHBondContact CA-O 3.3Å; S9-M75 WeakPolarHBondContact CB-O 3.28Å; L10-M75 HydrophobicContact CB-CE 3.59Å; L10-M75 HydrophobicContact CD2-CE 3.45Å; L10-M75 VanDerWaalsContact CD2-CE 3.45Å; L10-M75 HydrophobicContact CG-CE 3.55Å; L10-M75 PolarHBondContact N-O 3.12Å; L10-M75 PolarHBondContact O-N 3.07Å; L12-M75 HydrophobicContact CD1-CE 4.03Å; L12-M75 HydrophobicContact CD1-SD 4.26Å; L12-M75 HydrophobicContact CD2-CE 4.18Å; L12-M75 HydrophobicContact CG-CE 3.83Å; F60-M75 HydrophobicContact CD1-CB 4.47Å; F60-M75 HydrophobicContact CD1-CG 3.59Å; F60-M75 HydrophobicContact CD1-SD 4.15Å; F60-M75 HydrophobicContact CE1-CB 4.4Å; F60-M75 HydrophobicContact CE1-CG 3.57Å; F60-M75 HydrophobicContact CE1-SD 3.59Å; F60-M75 VanDerWaalsContact CE1-SD 3.59Å; L73-M75 HydrophobicContact CD2-CG 4.41Å; L73-M75 HydrophobicContact CD2-SD 4.27Å; L73-M75 HydrophobicContact CG-CG 4.26Å; M75-V78 HydrophobicContact CB-CG2 3.93Å; M75-Y86 HydrophobicContact SD-CE1 4.03Å
76S91.1Very high95.3Very high53 Ų5362.6 Ų62.637%0.37133%0.333SS..  trans-123.3147.9179.1-55.20000110.6V78S76-V78 VanDerWaalsContact C-N 3.3Å; S76-V78 PolarHBondContact O-N 2.98Å
77K91.3Very high95.2Very high168 Ų16864.1 Ų64.173%0.7334%0.335SS*.SBendtrans54.546-179.5-55.4178-178.8176.90112.1G8 R79G8-K77 WeakPolarHBondContact O-CA 3.28Å; G8-K77 PolarHBondContact O-N 3.5Å; K77-R79 WeakPolarHBondContact O-CG 3.37Å; K77-R79 PolarHBondContact O-N 2.75Å
78V92.7Very high95.2Very high16 Ų1661.7 Ų61.710%0.09731%0.312CS..  trans-55.1133.9-175.11760000110.8V4 P6 G7 G8 M75 S76 D82V4-V78 HydrophobicContact CG1-CB 3.87Å; V4-V78 HydrophobicContact CG1-CG1 3.69Å; V4-V78 HydrophobicContact CG1-CG2 4.03Å; P6-V78 CarbonylContact C-O 3.58Å; P6-V78 WeakPolarHBondContact CA-O 3.3Å; G7-V78 PolarHBondContact N-O 3.1Å; G8-V78 WeakPolarHBondContact O-CG2 3.25Å; G8-V78 PolarHBondContact O-N 3.01Å; M75-V78 HydrophobicContact CB-CG2 3.93Å; S76-V78 VanDerWaalsContact C-N 3.3Å; S76-V78 PolarHBondContact O-N 2.98Å; V78-D82 HydrophobicContact CG1-CB 4.29Å
79R92.3Very high95.2Very high116 Ų11657.5 Ų57.544%0.43830%0.301SS..  trans-116.6166.8178.4-54.8-175-62.6-170.915.6110.5K59 K77 E81 D82K59-R79 VanDerWaalsContact CE-NH2 3.29Å; K77-R79 WeakPolarHBondContact O-CG 3.37Å; K77-R79 PolarHBondContact O-N 2.75Å; R79-E81 HydrophobicContact CB-CG 3.66Å; R79-E81 IonicContact CZ-OE1 2.84Å; R79-E81 IonicContact CZ-OE2 2.81Å; R79-E81 IonicContact NE-OE1 3.64Å; R79-E81 PolarHBondContact NE-OE1 3.05Å; R79-E81 IonicContact NE-OE2 3.76Å; R79-E81 IonicContact NH1-OE1 2.86Å; R79-E81 IonicContact NH2-OE1 3.7Å; R79-E81 PolarHBondContact NH2-OE1 3.46Å; R79-E81 IonicContact NH2-OE2 3.87Å; R79-E81 PolarHBondContact NH2-OE2 3.07Å; R79-E81 PolarHBondContact O-N 3.4Å; R79-D82 PolarHBondContact N-OD2 3Å; R79-D82 WeakPolarHBondContact O-CB 3.41Å; R79-D82 PolarHBondContact O-N 3.36Å
80S91.1Very high95Very high98 Ų9859.4 Ų59.469%0.68530%0.304SS*.G310 helixtrans-56.3-37.7178.352.30000112.7D82 T83S80-D82 PolarHBondContact O-N 3.14Å; S80-T83 WeakPolarHBondContact O-CB 3.26Å; S80-T83 PolarHBondContact O-N 3.23Å; S80-T83 PolarHBondContact O-OG1 3.18Å
81E90.8Very high94.2Very high111 Ų11161.4 Ų61.452%0.51932%0.317SS..G310 helixtrans-64.8-14.4175.243.8172.7142.400114.6K59 R79 T83K59-E81 IonicContact NZ-OE2 2.88Å; R79-E81 HydrophobicContact CB-CG 3.66Å; R79-E81 IonicContact CZ-OE1 2.84Å; R79-E81 IonicContact CZ-OE2 2.81Å; R79-E81 IonicContact NE-OE1 3.64Å; R79-E81 PolarHBondContact NE-OE1 3.05Å; R79-E81 IonicContact NE-OE2 3.76Å; R79-E81 IonicContact NH1-OE1 2.86Å; R79-E81 IonicContact NH2-OE1 3.7Å; R79-E81 PolarHBondContact NH2-OE1 3.46Å; R79-E81 IonicContact NH2-OE2 3.87Å; R79-E81 PolarHBondContact NH2-OE2 3.07Å; R79-E81 PolarHBondContact O-N 3.4Å; E81-T83 VanDerWaalsContact C-N 3.3Å
82D92.5Very high92.4Very high11 Ų1173.8 Ų73.86%0.05938%0.375CS..G310 helixtrans-89.52.2173.2-53.5-52.7000111.8R30 K59 V78 R79 S80 A84 Y86R30-D82 IonicContact NH1-OD1 2.95Å; K59-D82 IonicContact NZ-OD1 3.78Å; K59-D82 PolarHBondContact NZ-OD1 2.61Å; K59-D82 IonicContact NZ-OD2 2.71Å; V78-D82 HydrophobicContact CG1-CB 4.29Å; R79-D82 PolarHBondContact N-OD2 3Å; R79-D82 WeakPolarHBondContact O-CB 3.41Å; R79-D82 PolarHBondContact O-N 3.36Å; S80-D82 PolarHBondContact O-N 3.14Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.8Å
83T94.4Very high92.1Very high93 Ų9375.5 Ų75.557%0.57139%0.386SS*.  trans-69.7111.9174.3-54.90000110.2S80 E81S80-T83 WeakPolarHBondContact O-CB 3.26Å; S80-T83 PolarHBondContact O-N 3.23Å; S80-T83 PolarHBondContact O-OG1 3.18Å; E81-T83 VanDerWaalsContact C-N 3.3Å
84A95.6Very high91.8Very high24 Ų2479.5 Ų79.520%0.19841%0.406CS..SBendtrans-158.3165.8-178.400000110.6R30 Q31 A32 D82 Y86R30-A84 HydrophobicContact CB-CB 3.96Å; R30-A84 HydrophobicContact CG-CB 4.48Å; Q31-A84 WeakPolarHBondContact O-CA 3.49Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; A32-A84 HydrophobicContact CB-CB 4.34Å; D82-A84 PolarHBondContact O-N 2.98Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å; A84-Y86 WeakPolarHBondContact O-CE2 3.36Å
85L96.8Very high91.5Very high106 Ų10680.6 Ų80.656%0.55541%0.413SS*.EExtended strand (participates in β ladder)trans-76.6137.1157.6-65.4174.8000108.5R30 Q31 Y87R30-L85 CarbonylContact C-O 3.43Å; R30-L85 WeakPolarHBondContact CA-O 3.42Å; R30-L85 WeakPolarHBondContact CB-O 3.24Å; Q31-L85 PolarHBondContact N-O 2.83Å; Q31-L85 PolarHBondContact O-N 2.94Å; L85-Y87 HydrophobicContact CB-CE2 3.8Å; L85-Y87 VanDerWaalsContact CD1-OH 3.24Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.07Å
86Y97.1Very high91.3Very high46 Ų4684.8 Ų84.818%0.1844%0.435CS..EExtended strand (participates in β ladder)trans-119.1128-179.2-72.1-98.9000109.3L12 V29 R30 I40 F60 L73 M75 D82 A84L12-Y86 HydrophobicContact CD1-CD1 3.98Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CE1 3.86Å; R30-Y86 HydrophobicContact CB-CG 4.33Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.64Å; F60-Y86 AromaticContact CE1-CE1 3.86Å; F60-Y86 HydrophobicContact CE1-CE1 3.86Å; F60-Y86 HydrophobicContact CZ-CE1 4.35Å; L73-Y86 HydrophobicContact CD2-CD1 3.64Å; L73-Y86 HydrophobicContact CD2-CE1 3.88Å; M75-Y86 HydrophobicContact SD-CE1 4.03Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å; A84-Y86 WeakPolarHBondContact O-CE2 3.36Å
87Y97.3Very high91.3Very high92 Ų9286.8 Ų86.836%0.36144%0.439SS..EExtended strand (participates in β ladder)trans-121.2139.2-176.6-52.2-82.4000109.6W28 V29 Q31 L37 L85W28-Y87 WeakPolarHBondContact CA-O 3.32Å; W28-Y87 VanDerWaalsContact CE3-O 3.27Å; V29-Y87 PolarHBondContact N-O 3.39Å; V29-Y87 PolarHBondContact O-N 3.03Å; Q31-Y87 HydrophobicContact CB-CE2 3.93Å; Q31-Y87 PolarHBondContact OE1-OH 2.6Å; L37-Y87 HydrophobicContact CD2-CD2 4.27Å; L37-Y87 HydrophobicContact CD2-CE2 4.14Å; L85-Y87 HydrophobicContact CB-CE2 3.8Å; L85-Y87 VanDerWaalsContact CD1-OH 3.24Å; L85-Y87 WeakPolarHBondContact CD1-OH 3.07Å
88C96.9Very high91.3Very high47 Ų4781.4 Ų81.432%0.31842%0.42SS..EExtended strand (participates in β ladder)trans-93.2142.9162.150.70000108.9C14 S27 W28 L71C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.17Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.93Å; S27-C88 CarbonylContact O-C 3.55Å; S27-C88 VanDerWaalsContact O-CA 3.31Å; S27-C88 WeakPolarHBondContact O-CA 3.39Å; W28-C88 HydrophobicContact CZ3-CB 4.45Å; L71-C88 HydrophobicContact CD2-CB 3.99Å
89A96.8Very high91.2Very high41 Ų4186.1 Ų86.134%0.33944%0.443SS..EExtended strand (participates in β ladder)trans-139.4157.3177.600000110M26 S27M26-A89 WeakPolarHBondContact CA-O 3.43Å; M26-A89 WeakPolarHBondContact CE-O 3.46Å; S27-A89 PolarHBondContact N-O 2.71Å; S27-A89 PolarHBondContact O-N 3.2Å
90R94.6Very high91.1Very high103 Ų10383.8 Ų83.839%0.38944%0.443SS..  trans-114155.6162.365.2173.4149174.4-7.9108.6F19 M26F19-R90 VanDerWaalsContact CD1-NH2 3.27Å; F19-R90 VanDerWaalsContact CD2-NH1 3.31Å; M26-R90 HydrophobicContact CE-CB 4.21Å; M26-R90 HydrophobicContact SD-CB 3.8Å
91P80.5Confident91.1Very high58 Ų5882.6 Ų82.638%0.37742%0.423SS..  trans-58.2145164.7-17.729.9000110.5W25W25-P91 HydrophobicContact CB-CG 3.97Å; W25-P91 WeakPolarHBondContact O-CD 3.24Å
92E60.4Low91.2Very high259 Ų25980 Ų80100%1.2141%0.414SS*.  trans-68.30165.1-68.6-176174.500111.2

Retrieved 92 of 92 residues in 19.6 ms (Link to these results)

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