A0A060X4L8_ONCMY Loading...

Dynein light chain Tctex-type 1

AlphaFold DB , UniProt , Accession A0A060X4L8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dynlt1b, Length 113 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
1M40.9Very low57.4Low238 Ų238127.8 Ų127.8100%1.17267%0.669SS**  084.40-166.9170.5-178.600103.2E3M1-E3 PolarHBondContact O-N 2.86Å
2D45.4Very low60.1Low155 Ų155119.5 Ų119.583%0.82962%0.624SS**  trans-67.8116.6-173.4-65.8-56.2000108F4D2-F4 PolarHBondContact O-N 3.12Å
3E47.9Very low62.7Low183 Ų183114.8 Ų114.886%0.85560%0.603SS**  trans-57.1120.4169-73177.7155.600107.1M1 Q5M1-E3 PolarHBondContact O-N 2.86Å; E3-Q5 PolarHBondContact O-N 3.3Å
4F52.5Low64.9Low204 Ų204111.5 Ų111.590%0.89559%0.59SS**  trans-58.1102172.4-89.3-101.5000107.7D2 T6D2-F4 PolarHBondContact O-N 3.12Å; F4-T6 PolarHBondContact O-N 2.87Å
5Q55.7Low66.9Low114 Ų114112.5 Ų112.553%0.53360%0.596SS.*  trans-55.4129.4168.2-79.6179.8-19.400107.8E3 T10E3-Q5 PolarHBondContact O-N 3.3Å; Q5-T10 HydrophobicContact CB-CG2 3.91Å
6T56.9Low68.7Low84 Ų84109.8 Ų109.852%0.51558%0.579SS.*  trans-64147.2-176.450.90000109.9F4 E8 E9F4-T6 PolarHBondContact O-N 2.87Å; T6-E8 PolarHBondContact O-N 3.24Å; T6-E9 PolarHBondContact N-OE2 2.96Å; T6-E9 VanDerWaalsContact N-OE2 3.12Å; T6-E9 WeakPolarHBondContact O-CB 3.47Å; T6-E9 PolarHBondContact O-N 3.49Å; T6-E9 PolarHBondContact OG1-OE2 3.2Å
7G57.2Low70.4Confident63 Ų63103.5 Ų103.565%0.64955%0.546SS*.THydrogen-bonded Turntrans-59.8-14.5-174.700000115.2
8E58.5Low71.9Confident171 Ų17198.8 Ų98.880%0.79952%0.522SS*.THydrogen-bonded Turntrans-82-31.1171.3-71.4-175.7157.500112.9T6 T10 A11T6-E8 PolarHBondContact O-N 3.24Å; E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 2.87Å; E8-A11 PolarHBondContact O-N 3.46Å
9E61.9Low73.3Confident107 Ų10797.3 Ų97.350%0.552%0.517SS..THydrogen-bonded Turntrans-70.8-28.2177.8-77.2175.2121.400112.4T6T6-E9 PolarHBondContact N-OE2 2.96Å; T6-E9 VanDerWaalsContact N-OE2 3.12Å; T6-E9 WeakPolarHBondContact O-CB 3.47Å; T6-E9 PolarHBondContact O-N 3.49Å; T6-E9 PolarHBondContact OG1-OE2 3.2Å
10T70.2Confident74.5Confident49 Ų4993.3 Ų93.330%0.30150%0.496SS..THydrogen-bonded Turntrans-96.42.4179.757.90000113.5Q5 E8 P60 F61Q5-T10 HydrophobicContact CB-CG2 3.91Å; E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 2.87Å; T10-P60 HydrophobicContact CG2-CG 4.06Å; T10-F61 VanDerWaalsContact O-CE2 3.31Å; T10-F61 WeakPolarHBondContact O-CE2 3.22Å; T10-F61 WeakPolarHBondContact O-CZ 3.36Å
11A84.1Confident75.6Confident38 Ų3888.9 Ų88.931%0.31447%0.472SS..SBendtrans-81.9142-17700000113.3E8 V13 K59E8-A11 PolarHBondContact O-N 3.46Å; A11-V13 PolarHBondContact O-N 3.16Å; A11-V13 VanDerWaalsContact O-N 3.16Å; A11-K59 PolarHBondContact O-NZ 3.36Å
12F90.5Very high78.3Confident28 Ų2882.9 Ų82.912%0.12344%0.44CS..  trans-75.198.8168-174-90.5000109.8V14 V17 F61 Y63 C93F12-V14 HydrophobicContact CD1-CG2 4.02Å; F12-V14 HydrophobicContact CE1-CG2 4Å; F12-V14 PolarHBondContact O-N 2.75Å; F12-V17 HydrophobicContact CE1-CG2 4.38Å; F12-V17 HydrophobicContact CE2-CG2 3.93Å; F12-V17 HydrophobicContact CZ-CB 4.26Å; F12-V17 HydrophobicContact CZ-CG1 4.06Å; F12-V17 HydrophobicContact CZ-CG2 3.86Å; F12-F61 HydrophobicContact CB-CE1 4.09Å; F12-F61 HydrophobicContact CB-CZ 3.86Å; F12-F61 HydrophobicContact CD2-CE1 4.48Å; F12-Y63 HydrophobicContact CE2-CE1 4.34Å; F12-C93 HydrophobicContact CE1-CB 4.28Å; F12-C93 HydrophobicContact CZ-CB 4.25Å
13V93.5Very high80.8Confident58 Ų5881.7 Ų81.735%0.35243%0.429SS..  trans-88.5102.7-178-176.40000110A11 D15 E16 V17A11-V13 PolarHBondContact O-N 3.16Å; A11-V13 VanDerWaalsContact O-N 3.16Å; V13-D15 VanDerWaalsContact C-N 3.29Å; V13-D15 PolarHBondContact O-N 3.15Å; V13-E16 HydrophobicContact CB-CB 4Å; V13-E16 HydrophobicContact CG1-CB 3.91Å; V13-E16 PolarHBondContact O-N 3.48Å; V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 3.25Å; V13-V17 VanDerWaalsContact O-N 3.11Å
14V93.9Very high83.1Confident69 Ų6973.2 Ų73.242%0.41839%0.39SS..Hα-helixtrans-57.4-39.2-174.8179.20000112.6F12 V17 S18 C93F12-V14 HydrophobicContact CD1-CG2 4.02Å; F12-V14 HydrophobicContact CE1-CG2 4Å; F12-V14 PolarHBondContact O-N 2.75Å; V14-V17 PolarHBondContact O-N 3.37Å; V14-S18 WeakPolarHBondContact O-CB 3.47Å; V14-S18 PolarHBondContact O-N 3.33Å; V14-C93 HydrophobicContact CG1-CB 4.16Å
15D95Very high85.3Confident127 Ų12763.5 Ų63.568%0.67935%0.348SS*.Hα-helixtrans-69.3-38.6-178.2-71.8-25.1000112.8V13 S18 T19V13-D15 VanDerWaalsContact C-N 3.29Å; V13-D15 PolarHBondContact O-N 3.15Å; D15-S18 PolarHBondContact O-N 3.1Å; D15-T19 PolarHBondContact O-N 3.26Å; D15-T19 PolarHBondContact O-OG1 2.97Å
16E95.1Very high87.2Confident69 Ų6963 Ų6332%0.32235%0.346SS..Hα-helixtrans-63.1-49.2174.1179.9177.8-134.400110.1V13 S18 T19 I20 L57 K59V13-E16 HydrophobicContact CB-CB 4Å; V13-E16 HydrophobicContact CG1-CB 3.91Å; V13-E16 PolarHBondContact O-N 3.48Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 3.22Å; E16-T19 WeakPolarHBondContact O-CB 3.46Å; E16-T19 PolarHBondContact O-N 3.32Å; E16-I20 HydrophobicContact CG-CD1 4.38Å; E16-I20 WeakPolarHBondContact O-CG1 3.31Å; E16-I20 PolarHBondContact O-N 3.39Å; E16-L57 HydrophobicContact CG-CD1 4.28Å; E16-L57 HydrophobicContact CG-CD2 4.38Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.28Å; E16-K59 IonicContact OE2-NZ 2.75Å; E16-K59 PolarHBondContact OE2-NZ 3.34Å
17V96.9Very high89Confident3 Ų362 Ų622%0.01835%0.352CS..Hα-helixtrans-62.3-42.1177.2175.90000111.3F12 V13 V14 T19 I20 I21 L54 C93 V108F12-V17 HydrophobicContact CE1-CG2 4.38Å; F12-V17 HydrophobicContact CE2-CG2 3.93Å; F12-V17 HydrophobicContact CZ-CB 4.26Å; F12-V17 HydrophobicContact CZ-CG1 4.06Å; F12-V17 HydrophobicContact CZ-CG2 3.86Å; V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 3.25Å; V13-V17 VanDerWaalsContact O-N 3.11Å; V14-V17 PolarHBondContact O-N 3.37Å; V17-T19 VanDerWaalsContact C-N 3.29Å; V17-T19 PolarHBondContact O-N 3.05Å; V17-I20 PolarHBondContact O-N 3.21Å; V17-I21 HydrophobicContact CG1-CD1 3.84Å; V17-I21 HydrophobicContact CG1-CG1 4.4Å; V17-I21 WeakPolarHBondContact O-CD1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.1Å; V17-I21 PolarHBondContact O-N 3.2Å; V17-L54 HydrophobicContact CB-CD2 4.4Å; V17-L54 HydrophobicContact CG1-CD2 4.12Å; V17-L54 HydrophobicContact CG2-CD2 3.88Å; V17-C93 HydrophobicContact CB-CB 4.24Å; V17-C93 HydrophobicContact CG1-CB 3.69Å; V17-V108 HydrophobicContact CG1-CB 3.93Å; V17-V108 HydrophobicContact CG1-CG1 3.89Å; V17-V108 HydrophobicContact CG1-CG2 4.25Å
18S97.8Very high90.9Very high18 Ų1859.5 Ų59.513%0.12633%0.325CS..Hα-helixtrans-59.4-40.6176.8-1740000111.8V14 D15 E16 I21 K22V14-S18 WeakPolarHBondContact O-CB 3.47Å; V14-S18 PolarHBondContact O-N 3.33Å; D15-S18 PolarHBondContact O-N 3.1Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 3.22Å; S18-I21 PolarHBondContact O-N 2.81Å; S18-K22 VanDerWaalsContact O-CG 3.26Å; S18-K22 WeakPolarHBondContact O-CG 3.19Å; S18-K22 PolarHBondContact O-N 3Å
19T97.9Very high92.6Very high70 Ų7051.4 Ų51.443%0.42929%0.287SS..Hα-helixtrans-65.7-48.6177.7-57.70000111D15 E16 V17 I21 K22 E23D15-T19 PolarHBondContact O-N 3.26Å; D15-T19 PolarHBondContact O-OG1 2.97Å; E16-T19 WeakPolarHBondContact O-CB 3.46Å; E16-T19 PolarHBondContact O-N 3.32Å; V17-T19 VanDerWaalsContact C-N 3.29Å; V17-T19 PolarHBondContact O-N 3.05Å; T19-I21 VanDerWaalsContact C-N 3.29Å; T19-I21 PolarHBondContact O-N 2.84Å; T19-K22 PolarHBondContact O-N 3.14Å; T19-K22 VanDerWaalsContact O-N 3.14Å; T19-E23 WeakPolarHBondContact O-CG 3.26Å; T19-E23 PolarHBondContact O-N 3.31Å
20I97.9Very high94.2Very high18 Ų1847 Ų479%0.09227%0.271CS..Hα-helixtrans-55.5-45176.3-71167.9000111.5E16 V17 S24 Q53 L54 L57E16-I20 HydrophobicContact CG-CD1 4.38Å; E16-I20 WeakPolarHBondContact O-CG1 3.31Å; E16-I20 PolarHBondContact O-N 3.39Å; V17-I20 PolarHBondContact O-N 3.21Å; I20-S24 WeakPolarHBondContact O-CB 3.45Å; I20-S24 PolarHBondContact O-N 2.99Å; I20-S24 PolarHBondContact O-OG 3.38Å; I20-Q53 HydrophobicContact CD1-CB 4.48Å; I20-Q53 HydrophobicContact CG1-CB 4.36Å; I20-Q53 HydrophobicContact CG2-CB 3.53Å; I20-Q53 HydrophobicContact CG2-CG 4.37Å; I20-L54 HydrophobicContact CD1-CD2 3.99Å; I20-L54 HydrophobicContact CG2-CG 4.29Å; I20-L57 HydrophobicContact CD1-CD1 3.84Å; I20-L57 HydrophobicContact CD1-CD2 4.19Å; I20-L57 HydrophobicContact CD1-CG 4.2Å
21I98.1Very high95.3Very high0 Ų048.6 Ų48.60%030%0.297CS..Hα-helixtrans-63.2-47.9178.7-65.3161.6000110.5V17 S18 T19 E23 S24 V25 C93 V95 V106 V108V17-I21 HydrophobicContact CG1-CD1 3.84Å; V17-I21 HydrophobicContact CG1-CG1 4.4Å; V17-I21 WeakPolarHBondContact O-CD1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.1Å; V17-I21 PolarHBondContact O-N 3.2Å; S18-I21 PolarHBondContact O-N 2.81Å; T19-I21 VanDerWaalsContact C-N 3.29Å; T19-I21 PolarHBondContact O-N 2.84Å; I21-E23 VanDerWaalsContact C-N 3.35Å; I21-E23 PolarHBondContact O-N 2.79Å; I21-S24 PolarHBondContact O-N 3.46Å; I21-V25 HydrophobicContact CG2-CG2 4.26Å; I21-V25 VanDerWaalsContact O-CG2 3.29Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.33Å; I21-C93 HydrophobicContact CD1-CB 4.3Å; I21-V95 HydrophobicContact CB-CB 4.33Å; I21-V95 HydrophobicContact CB-CG2 3.94Å; I21-V95 HydrophobicContact CD1-CG2 3.86Å; I21-V95 HydrophobicContact CG2-CB 3.63Å; I21-V95 HydrophobicContact CG2-CG1 4.17Å; I21-V95 HydrophobicContact CG2-CG2 3.82Å; I21-V106 HydrophobicContact CG1-CG1 4.34Å; I21-V106 HydrophobicContact CG2-CB 3.57Å; I21-V106 HydrophobicContact CG2-CG1 3.68Å; I21-V106 HydrophobicContact CG2-CG2 4.14Å; I21-V108 HydrophobicContact CD1-CB 4.11Å; I21-V108 HydrophobicContact CD1-CG2 3.42Å; I21-V108 VanDerWaalsContact CD1-CG2 3.42Å; I21-V108 HydrophobicContact CG1-CG2 3.65Å
22K97.6Very high95.8Very high112 Ų11248.9 Ų48.949%0.48729%0.293SS..Hα-helixtrans-59.5-45.4-179.4-74.8169.8-175.4169.80111.7S18 T19 V25 E26 V95S18-K22 VanDerWaalsContact O-CG 3.26Å; S18-K22 WeakPolarHBondContact O-CG 3.19Å; S18-K22 PolarHBondContact O-N 3Å; T19-K22 PolarHBondContact O-N 3.14Å; T19-K22 VanDerWaalsContact O-N 3.14Å; K22-V25 PolarHBondContact O-N 3.44Å; K22-E26 WeakPolarHBondContact O-CB 3.5Å; K22-E26 PolarHBondContact O-N 3.44Å; K22-V95 HydrophobicContact CG-CG1 3.84Å
23E97.6Very high96.1Very high130 Ų13050.5 Ų50.561%0.60731%0.311SS*.Hα-helixtrans-64.1-42.3177.7-69.8179.9170.800112T19 I21 V25 E26 G27T19-E23 WeakPolarHBondContact O-CG 3.26Å; T19-E23 PolarHBondContact O-N 3.31Å; I21-E23 VanDerWaalsContact C-N 3.35Å; I21-E23 PolarHBondContact O-N 2.79Å; E23-V25 PolarHBondContact O-N 3.09Å; E23-E26 PolarHBondContact O-N 3.45Å; E23-G27 PolarHBondContact O-N 3.32Å
24S97.5Very high96.2Very high5 Ų550.1 Ų50.14%0.03530%0.304CS..Hα-helixtrans-63.9-40.2177.8-58.90000112I20 I21 A28 Q49 S50I20-S24 WeakPolarHBondContact O-CB 3.45Å; I20-S24 PolarHBondContact O-N 2.99Å; I20-S24 PolarHBondContact O-OG 3.38Å; I21-S24 PolarHBondContact O-N 3.46Å; S24-A28 VanDerWaalsContact O-CB 3.28Å; S24-A28 WeakPolarHBondContact O-CB 3.22Å; S24-A28 PolarHBondContact O-N 3.11Å; S24-A28 VanDerWaalsContact O-N 3.13Å; S24-Q49 PolarHBondContact O-OE1 3.25Å; S24-S50 WeakPolarHBondContact CB-OG 3.13Å; S24-S50 PolarHBondContact OG-N 2.89Å
25V97.5Very high96.4Very high1 Ų151.1 Ų51.11%0.00630%0.304CS..Hα-helixtrans-68.7-47.4176.2176.20000111I21 K22 E23 G27 A28 I29 V46 W97 C104 V106I21-V25 HydrophobicContact CG2-CG2 4.26Å; I21-V25 VanDerWaalsContact O-CG2 3.29Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.33Å; K22-V25 PolarHBondContact O-N 3.44Å; E23-V25 PolarHBondContact O-N 3.09Å; V25-G27 VanDerWaalsContact C-N 3.34Å; V25-G27 PolarHBondContact O-N 3.47Å; V25-A28 PolarHBondContact O-N 2.84Å; V25-I29 HydrophobicContact CG1-CD1 3.82Å; V25-I29 HydrophobicContact CG1-CG1 3.75Å; V25-I29 VanDerWaalsContact O-CG1 3.22Å; V25-I29 WeakPolarHBondContact O-CG1 3.42Å; V25-I29 PolarHBondContact O-N 2.92Å; V25-V46 HydrophobicContact CG2-CG1 3.81Å; V25-V46 HydrophobicContact CG2-CG2 4.44Å; V25-W97 HydrophobicContact CB-CG 4.49Å; V25-W97 HydrophobicContact CG1-CB 3.76Å; V25-W97 HydrophobicContact CG1-CD2 3.58Å; V25-W97 HydrophobicContact CG1-CE3 3.99Å; V25-W97 HydrophobicContact CG1-CG 3.47Å; V25-W97 VanDerWaalsContact CG1-CG 3.47Å; V25-C104 HydrophobicContact CG1-CB 4.28Å; V25-V106 HydrophobicContact CG2-CG2 3.65Å
26E96.1Very high96.4Very high104 Ų10452 Ų5249%0.48630%0.304SS..Hα-helixtrans-62.2-42.8-179.5-165.760.8-14600111.4K22 E23 A28 G30 W97K22-E26 WeakPolarHBondContact O-CB 3.5Å; K22-E26 PolarHBondContact O-N 3.44Å; E23-E26 PolarHBondContact O-N 3.45Å; E26-A28 PolarHBondContact O-N 2.65Å; E26-G30 VanDerWaalsContact O-CA 3.27Å; E26-G30 WeakPolarHBondContact O-CA 3.47Å; E26-G30 PolarHBondContact O-N 2.78Å; E26-G30 VanDerWaalsContact OE1-CA 3.3Å; E26-G30 WeakPolarHBondContact OE1-CA 3.42Å; E26-W97 PolarHBondContact OE2-NE1 2.99Å
27G95.4Very high96.5Very high62 Ų6253.8 Ų53.864%0.63932%0.324SS*.Hα-helixtrans-64.9-34.5176.400000113.8E23 V25E23-G27 PolarHBondContact O-N 3.32Å; V25-G27 VanDerWaalsContact C-N 3.34Å; V25-G27 PolarHBondContact O-N 3.47Å
28A95.2Very high96.4Very high11 Ų1157.3 Ų57.39%0.09134%0.337CS..Hα-helixtrans-83-42.2-178.500000113.4S24 V25 E26 N45 V46S24-A28 VanDerWaalsContact O-CB 3.28Å; S24-A28 WeakPolarHBondContact O-CB 3.22Å; S24-A28 PolarHBondContact O-N 3.11Å; S24-A28 VanDerWaalsContact O-N 3.13Å; V25-A28 PolarHBondContact O-N 2.84Å; E26-A28 PolarHBondContact O-N 2.65Å; A28-N45 HydrophobicContact CB-CB 4.31Å; A28-V46 HydrophobicContact CB-CG2 3.52Å
29I95.6Very high96.4Very high0 Ų057.2 Ų57.20%034%0.336CS..Hα-helixtrans-133.4-3.4-168.263170.9000115.5V25 G31 N32 W42 I69 W97 M102 C104V25-I29 HydrophobicContact CG1-CD1 3.82Å; V25-I29 HydrophobicContact CG1-CG1 3.75Å; V25-I29 VanDerWaalsContact O-CG1 3.22Å; V25-I29 WeakPolarHBondContact O-CG1 3.42Å; V25-I29 PolarHBondContact O-N 2.92Å; I29-G31 PolarHBondContact O-N 2.88Å; I29-N32 PolarHBondContact O-N 3.46Å; I29-W42 HydrophobicContact CG2-CB 3.54Å; I29-W42 HydrophobicContact CG2-CD2 3.68Å; I29-W42 HydrophobicContact CG2-CE3 4.14Å; I29-W42 HydrophobicContact CG2-CG 3.41Å; I29-W42 VanDerWaalsContact CG2-CG 3.41Å; I29-I69 HydrophobicContact CD1-CD1 4.35Å; I29-I69 HydrophobicContact CG2-CD1 4.47Å; I29-W97 HydrophobicContact CD1-CE3 3.77Å; I29-W97 HydrophobicContact CD1-CH2 4.13Å; I29-W97 HydrophobicContact CD1-CZ3 3.48Å; I29-W97 VanDerWaalsContact CD1-CZ3 3.48Å; I29-W97 HydrophobicContact CG1-CE3 4.3Å; I29-W97 HydrophobicContact CG1-CH2 3.97Å; I29-W97 HydrophobicContact CG1-CZ3 3.85Å; I29-M102 HydrophobicContact CB-CE 3.81Å; I29-M102 HydrophobicContact CD1-CE 4.08Å; I29-M102 HydrophobicContact CG1-CE 4.37Å; I29-M102 HydrophobicContact CG2-CE 4.4Å; I29-C104 HydrophobicContact CD1-CB 3.67Å
30G94.8Very high96.3Very high16 Ų1660.1 Ų60.117%0.16535%0.349CS..THydrogen-bonded Turntrans-47.8-54.6-173.700000115E26 N32E26-G30 VanDerWaalsContact O-CA 3.27Å; E26-G30 WeakPolarHBondContact O-CA 3.47Å; E26-G30 PolarHBondContact O-N 2.78Å; E26-G30 VanDerWaalsContact OE1-CA 3.3Å; E26-G30 WeakPolarHBondContact OE1-CA 3.42Å; G30-N32 PolarHBondContact O-N 2.92Å
31G93.4Very high96.3Very high82 Ų8264.3 Ų64.385%0.84537%0.368SS*.THydrogen-bonded Turntrans-85.54.2-179.100000115.9I29I29-G31 PolarHBondContact O-N 2.88Å
32N94.9Very high96.3Very high44 Ų4464.3 Ų64.324%0.23537%0.368CS..PPolyproline II helixtrans-102.5135-171.3-66.2-90000111.9I29 G30 R38 W42 N99 M102I29-N32 PolarHBondContact O-N 3.46Å; G30-N32 PolarHBondContact O-N 2.92Å; N32-R38 PolarHBondContact OD1-NH1 3.48Å; N32-W42 HydrophobicContact CB-CH2 4.09Å; N32-W42 HydrophobicContact CB-CZ2 3.68Å; N32-N99 PolarHBondContact O-ND2 2.87Å; N32-M102 WeakPolarHBondContact O-CE 3.5Å
33A96.3Very high96.3Very high61 Ų6160.7 Ų60.750%0.50436%0.355SS..PPolyproline II helixtrans-77.7150.6162.200000110.1Q35 W42 S101A33-Q35 PolarHBondContact O-N 2.93Å; A33-W42 WeakPolarHBondContact O-CH2 3.39Å; A33-S101 WeakPolarHBondContact CA-OG 3.42Å
34Y96.8Very high96.3Very high50 Ų5057.7 Ų57.720%0.19635%0.346CS..PPolyproline II helixtrans-53.6127.9-178.6179.1-93.9000112.3H36 V39 Q71 S101 M102Y34-H36 HydrophobicContact CE1-CB 4.16Å; Y34-H36 PolarHBondContact OH-ND1 2.79Å; Y34-V39 HydrophobicContact CD2-CG2 4.17Å; Y34-V39 HydrophobicContact CE2-CG2 3.44Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.44Å; Y34-Q71 HydrophobicContact CD1-CB 4.01Å; Y34-Q71 HydrophobicContact CD1-CG 3.61Å; Y34-Q71 HydrophobicContact CD2-CB 4.06Å; Y34-Q71 HydrophobicContact CD2-CG 4.37Å; Y34-Q71 HydrophobicContact CE1-CB 3.77Å; Y34-Q71 VanDerWaalsContact CE1-CD 3.49Å; Y34-Q71 HydrophobicContact CE1-CG 3.74Å; Y34-Q71 HydrophobicContact CE2-CB 3.82Å; Y34-Q71 HydrophobicContact CE2-CG 4.48Å; Y34-Q71 HydrophobicContact CG-CB 4.15Å; Y34-Q71 HydrophobicContact CG-CG 3.94Å; Y34-S101 PolarHBondContact N-OG 3.02Å; Y34-M102 HydrophobicContact CD2-CB 3.92Å; Y34-M102 HydrophobicContact CD2-SD 4.02Å; Y34-M102 HydrophobicContact CG-CB 4.47Å
35Q96.4Very high96.3Very high90 Ų9059.7 Ų59.742%0.42136%0.356SS..  trans-138.3111.2175-68.8177.318.400108.8A33 S37 R38 V39 W42A33-Q35 PolarHBondContact O-N 2.93Å; Q35-S37 VanDerWaalsContact C-N 3.26Å; Q35-S37 PolarHBondContact O-N 2.94Å; Q35-R38 HydrophobicContact CB-CB 4.33Å; Q35-R38 HydrophobicContact CB-CG 4.22Å; Q35-R38 PolarHBondContact O-N 2.88Å; Q35-V39 PolarHBondContact O-N 3.11Å; Q35-W42 HydrophobicContact CB-CH2 3.88Å; Q35-W42 HydrophobicContact CG-CH2 4.4Å
36H94.9Very high96.3Very high146 Ų14659.7 Ų59.768%0.67636%0.356SS*.G310 helixtrans-53.9-41-173.5-17864.4000113.3Y34 R38 V39Y34-H36 HydrophobicContact CE1-CB 4.16Å; Y34-H36 PolarHBondContact OH-ND1 2.79Å; H36-R38 PolarHBondContact O-N 2.91Å; H36-R38 VanDerWaalsContact O-N 3.17Å; H36-V39 PolarHBondContact O-N 2.86Å
37S97.4Very high96.4Very high107 Ų10756.2 Ų56.275%0.74834%0.342SS*.G310 helixtrans-61.9-22.5178.653.90000114.2Q35Q35-S37 VanDerWaalsContact C-N 3.26Å; Q35-S37 PolarHBondContact O-N 2.94Å
38R96.5Very high96.5Very high76 Ų7658.9 Ų58.929%0.28734%0.338SS..G310 helixtrans-99.4-11.6-178-61.3-173.168.3-161-3.5113.5N32 Q35 H36 N40 Q41 W42N32-R38 PolarHBondContact OD1-NH1 3.48Å; Q35-R38 HydrophobicContact CB-CB 4.33Å; Q35-R38 HydrophobicContact CB-CG 4.22Å; Q35-R38 PolarHBondContact O-N 2.88Å; H36-R38 PolarHBondContact O-N 2.91Å; H36-R38 VanDerWaalsContact O-N 3.17Å; R38-N40 VanDerWaalsContact C-N 3.31Å; R38-N40 PolarHBondContact O-N 3.41Å; R38-Q41 WeakPolarHBondContact O-CB 3.18Å; R38-Q41 PolarHBondContact O-N 3.01Å; R38-Q41 VanDerWaalsContact O-N 3.11Å; R38-W42 HydrophobicContact CB-CD2 3.87Å; R38-W42 HydrophobicContact CB-CE3 4.23Å; R38-W42 HydrophobicContact CB-CG 4.48Å; R38-W42 HydrophobicContact CB-CH2 3.98Å; R38-W42 HydrophobicContact CB-CZ2 3.63Å; R38-W42 HydrophobicContact CB-CZ3 4.28Å; R38-W42 HydrophobicContact CG-CZ2 4.31Å; R38-W42 PolarHBondContact O-N 2.96Å
39V96.4Very high96.6Very high17 Ų1761.9 Ų61.910%0.10335%0.35CS..Hα-helixtrans-57.3-41.7-174.1172.60000112.6Y34 Q35 H36 W42 T43 I69Y34-V39 HydrophobicContact CD2-CG2 4.17Å; Y34-V39 HydrophobicContact CE2-CG2 3.44Å; Y34-V39 VanDerWaalsContact CE2-CG2 3.44Å; Q35-V39 PolarHBondContact O-N 3.11Å; H36-V39 PolarHBondContact O-N 2.86Å; V39-W42 HydrophobicContact CG2-CE3 4.34Å; V39-W42 HydrophobicContact CG2-CZ3 4.45Å; V39-W42 PolarHBondContact O-N 2.84Å; V39-T43 WeakPolarHBondContact O-CB 3.44Å; V39-T43 PolarHBondContact O-N 3.45Å; V39-T43 PolarHBondContact O-OG1 2.84Å; V39-I69 HydrophobicContact CG1-CB 4.06Å; V39-I69 HydrophobicContact CG1-CG2 4.24Å; V39-I69 HydrophobicContact CG2-CG2 4.45Å
40N96.6Very high96.7Very high130 Ų13061.9 Ų61.970%0.69535%0.35SS*.Hα-helixtrans-63-46.9178.1-70.5-22.5000111.2R38 W42 T43 T44R38-N40 VanDerWaalsContact C-N 3.31Å; R38-N40 PolarHBondContact O-N 3.41Å; N40-W42 PolarHBondContact O-N 3.43Å; N40-T43 PolarHBondContact O-N 3.41Å; N40-T44 PolarHBondContact O-N 3.48Å; N40-T44 PolarHBondContact O-OG1 3.13Å
41Q97.6Very high96.9Very high106 Ų10664.2 Ų64.250%0.49536%0.358SS..Hα-helixtrans-61.7-44.5177.1-174.8-172.210.700111.5R38 T44 N45R38-Q41 WeakPolarHBondContact O-CB 3.18Å; R38-Q41 PolarHBondContact O-N 3.01Å; R38-Q41 VanDerWaalsContact O-N 3.11Å; Q41-T44 PolarHBondContact O-N 2.92Å; Q41-N45 WeakPolarHBondContact O-CB 3.35Å; Q41-N45 PolarHBondContact O-N 3.47Å; Q41-N45 PolarHBondContact O-OD1 3.28Å
42W97.6Very high97.1Very high1 Ų162.8 Ų62.80%0.00434%0.335CS..Hα-helixtrans-62.7-43.7178.3-69.1-26.5000112.4I29 N32 A33 Q35 R38 V39 N40 T44 N45 V46 I69 M102I29-W42 HydrophobicContact CG2-CB 3.54Å; I29-W42 HydrophobicContact CG2-CD2 3.68Å; I29-W42 HydrophobicContact CG2-CE3 4.14Å; I29-W42 HydrophobicContact CG2-CG 3.41Å; I29-W42 VanDerWaalsContact CG2-CG 3.41Å; N32-W42 HydrophobicContact CB-CH2 4.09Å; N32-W42 HydrophobicContact CB-CZ2 3.68Å; A33-W42 WeakPolarHBondContact O-CH2 3.39Å; Q35-W42 HydrophobicContact CB-CH2 3.88Å; Q35-W42 HydrophobicContact CG-CH2 4.4Å; R38-W42 HydrophobicContact CB-CD2 3.87Å; R38-W42 HydrophobicContact CB-CE3 4.23Å; R38-W42 HydrophobicContact CB-CG 4.48Å; R38-W42 HydrophobicContact CB-CH2 3.98Å; R38-W42 HydrophobicContact CB-CZ2 3.63Å; R38-W42 HydrophobicContact CB-CZ3 4.28Å; R38-W42 HydrophobicContact CG-CZ2 4.31Å; R38-W42 PolarHBondContact O-N 2.96Å; V39-W42 HydrophobicContact CG2-CE3 4.34Å; V39-W42 HydrophobicContact CG2-CZ3 4.45Å; V39-W42 PolarHBondContact O-N 2.84Å; N40-W42 PolarHBondContact O-N 3.43Å; W42-T44 PolarHBondContact O-N 2.89Å; W42-N45 PolarHBondContact O-N 2.91Å; W42-V46 VanDerWaalsContact O-CG2 3.3Å; W42-V46 WeakPolarHBondContact O-CG2 3.39Å; W42-V46 PolarHBondContact O-N 3Å; W42-I69 HydrophobicContact CB-CD1 3.66Å; W42-M102 HydrophobicContact CE3-CE 4.44Å; W42-M102 HydrophobicContact CE3-SD 4.31Å; W42-M102 HydrophobicContact CZ3-CE 4.09Å; W42-M102 HydrophobicContact CZ3-SD 3.94Å
43T97.3Very high97.2Very high35 Ų3564.5 Ų64.522%0.21534%0.342CS..Hα-helixtrans-59.2-47.7176.3-56.10000110.7V39 N40 V46 V47 C67V39-T43 WeakPolarHBondContact O-CB 3.44Å; V39-T43 PolarHBondContact O-N 3.45Å; V39-T43 PolarHBondContact O-OG1 2.84Å; N40-T43 PolarHBondContact O-N 3.41Å; T43-V46 PolarHBondContact O-N 3.44Å; T43-V47 VanDerWaalsContact O-CG2 3.31Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 2.76Å; T43-V47 VanDerWaalsContact O-N 3.11Å; T43-C67 HydrophobicContact CG2-CB 3.94Å
44T97.8Very high97.2Very high68 Ų6861.6 Ų61.642%0.41732%0.318SS..Hα-helixtrans-59.2-49.1175.5-62.90000111.5N40 Q41 W42 V46 V47 E48N40-T44 PolarHBondContact O-N 3.48Å; N40-T44 PolarHBondContact O-OG1 3.13Å; Q41-T44 PolarHBondContact O-N 2.92Å; W42-T44 PolarHBondContact O-N 2.89Å; T44-V46 PolarHBondContact O-N 2.71Å; T44-V47 PolarHBondContact O-N 3.46Å; T44-E48 HydrophobicContact CG2-CG 4.15Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.49Å; T44-E48 WeakPolarHBondContact O-CB 3.3Å; T44-E48 WeakPolarHBondContact O-CG 3.23Å; T44-E48 PolarHBondContact O-N 2.85Å
45N97.6Very high97.1Very high47 Ų4762.9 Ų62.925%0.25133%0.334SS..Hα-helixtrans-59.8-43.9-178.9-72.2-1000112.2A28 Q41 W42 Q49A28-N45 HydrophobicContact CB-CB 4.31Å; Q41-N45 WeakPolarHBondContact O-CB 3.35Å; Q41-N45 PolarHBondContact O-N 3.47Å; Q41-N45 PolarHBondContact O-OD1 3.28Å; W42-N45 PolarHBondContact O-N 2.91Å; N45-Q49 VanDerWaalsContact O-CB 3.27Å; N45-Q49 WeakPolarHBondContact O-CB 3.3Å; N45-Q49 WeakPolarHBondContact O-CG 3.35Å; N45-Q49 PolarHBondContact O-N 2.83Å
46V98.1Very high97Very high0 Ų065 Ų650%034%0.342CS..Hα-helixtrans-61.9-45.4178.1169.60000110.8V25 A28 W42 T43 T44 S50 C67 V106V25-V46 HydrophobicContact CG2-CG1 3.81Å; V25-V46 HydrophobicContact CG2-CG2 4.44Å; A28-V46 HydrophobicContact CB-CG2 3.52Å; W42-V46 VanDerWaalsContact O-CG2 3.3Å; W42-V46 WeakPolarHBondContact O-CG2 3.39Å; W42-V46 PolarHBondContact O-N 3Å; T43-V46 PolarHBondContact O-N 3.44Å; T44-V46 PolarHBondContact O-N 2.71Å; V46-S50 VanDerWaalsContact O-CB 3.29Å; V46-S50 WeakPolarHBondContact O-CB 3.26Å; V46-S50 PolarHBondContact O-N 3.01Å; V46-S50 PolarHBondContact O-OG 3.33Å; V46-C67 HydrophobicContact CG1-CB 4.28Å; V46-V106 HydrophobicContact CG1-CG2 3.65Å
47V98.1Very high96.9Very high31 Ų3160.4 Ų60.419%0.18832%0.322CS..Hα-helixtrans-65-48.4-179.8169.40000111.2T43 T44 S50 L51 V65 C67T43-V47 VanDerWaalsContact O-CG2 3.31Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 2.76Å; T43-V47 VanDerWaalsContact O-N 3.11Å; T44-V47 PolarHBondContact O-N 3.46Å; V47-S50 PolarHBondContact O-N 3.41Å; V47-L51 HydrophobicContact CG1-CD1 3.81Å; V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 WeakPolarHBondContact O-CG 3.42Å; V47-L51 PolarHBondContact O-N 2.95Å; V47-V65 HydrophobicContact CG1-CB 4.32Å; V47-V65 HydrophobicContact CG2-CG1 4.26Å; V47-C67 HydrophobicContact CG2-CB 3.66Å
48E97.3Very high96.6Very high118 Ų11858.3 Ų58.355%0.55132%0.318SS*.Hα-helixtrans-65.3-43.2-179.3-73.2-178.4173.100112.3T44 L51 S52T44-E48 HydrophobicContact CG2-CG 4.15Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.49Å; T44-E48 WeakPolarHBondContact O-CB 3.3Å; T44-E48 WeakPolarHBondContact O-CG 3.23Å; T44-E48 PolarHBondContact O-N 2.85Å; E48-L51 PolarHBondContact O-N 3.45Å; E48-S52 VanDerWaalsContact O-CB 3.23Å; E48-S52 WeakPolarHBondContact O-CB 3.27Å; E48-S52 PolarHBondContact O-N 2.91Å
49Q97.8Very high96.4Very high75 Ų7556.6 Ų56.635%0.3531%0.312SS..Hα-helixtrans-62.9-45.9176.2-72.7178.928.300111S24 N45 S52 Q53S24-Q49 PolarHBondContact O-OE1 3.25Å; N45-Q49 VanDerWaalsContact O-CB 3.27Å; N45-Q49 WeakPolarHBondContact O-CB 3.3Å; N45-Q49 WeakPolarHBondContact O-CG 3.35Å; N45-Q49 PolarHBondContact O-N 2.83Å; Q49-S52 PolarHBondContact O-N 2.91Å; Q49-Q53 WeakPolarHBondContact O-CG 3.48Å; Q49-Q53 PolarHBondContact O-N 3.46Å
50S97.9Very high96.3Very high0 Ų057.9 Ų57.90%032%0.321CS..Hα-helixtrans-60.8-49.4178.1-57.40000111.2S24 V46 V47 S52 Q53 L54S24-S50 WeakPolarHBondContact CB-OG 3.13Å; S24-S50 PolarHBondContact OG-N 2.89Å; V46-S50 VanDerWaalsContact O-CB 3.29Å; V46-S50 WeakPolarHBondContact O-CB 3.26Å; V46-S50 PolarHBondContact O-N 3.01Å; V46-S50 PolarHBondContact O-OG 3.33Å; V47-S50 PolarHBondContact O-N 3.41Å; S50-S52 PolarHBondContact O-N 3.49Å; S50-Q53 PolarHBondContact O-N 2.81Å; S50-L54 WeakPolarHBondContact O-CB 3.33Å; S50-L54 WeakPolarHBondContact O-CD1 3.27Å; S50-L54 WeakPolarHBondContact O-CG 3.39Å; S50-L54 PolarHBondContact O-N 2.96Å
51L97.8Very high96.2Very high64 Ų6452.4 Ų52.434%0.33529%0.291SS..Hα-helixtrans-61.9-41.4177.9-79.7169.6000112.4V47 E48 L54 S55 V65V47-L51 HydrophobicContact CG1-CD1 3.81Å; V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 WeakPolarHBondContact O-CG 3.42Å; V47-L51 PolarHBondContact O-N 2.95Å; E48-L51 PolarHBondContact O-N 3.45Å; L51-L54 PolarHBondContact O-N 2.9Å; L51-S55 WeakPolarHBondContact O-CB 3.3Å; L51-S55 PolarHBondContact O-N 2.84Å; L51-S55 PolarHBondContact O-OG 2.86Å; L51-V65 HydrophobicContact CD2-CB 4.41Å; L51-V65 HydrophobicContact CD2-CG2 3.58Å; L51-V65 HydrophobicContact CG-CB 4.17Å; L51-V65 HydrophobicContact CG-CG2 3.64Å
52S97.5Very high96.1Very high52 Ų5254.1 Ų54.136%0.36430%0.297SS..Hα-helixtrans-63.3-40.9177.7-176.40000112.2E48 Q49 S50 S55 K56E48-S52 VanDerWaalsContact O-CB 3.23Å; E48-S52 WeakPolarHBondContact O-CB 3.27Å; E48-S52 PolarHBondContact O-N 2.91Å; Q49-S52 PolarHBondContact O-N 2.91Å; S50-S52 PolarHBondContact O-N 3.49Å; S52-S55 WeakPolarHBondContact CA-OG 3.28Å; S52-S55 PolarHBondContact O-OG 3.28Å; S52-K56 WeakPolarHBondContact O-CD 3.29Å; S52-K56 VanDerWaalsContact O-CG 3.26Å; S52-K56 WeakPolarHBondContact O-CG 3.34Å; S52-K56 PolarHBondContact O-N 3.02Å
53Q97.3Very high96.1Very high81 Ų8156 Ų5638%0.37930%0.304SS..Hα-helixtrans-73.3-40177.2-63.5-58.9-14.600112.1I20 Q49 S50 S55 K56 L57I20-Q53 HydrophobicContact CD1-CB 4.48Å; I20-Q53 HydrophobicContact CG1-CB 4.36Å; I20-Q53 HydrophobicContact CG2-CB 3.53Å; I20-Q53 HydrophobicContact CG2-CG 4.37Å; Q49-Q53 WeakPolarHBondContact O-CG 3.48Å; Q49-Q53 PolarHBondContact O-N 3.46Å; S50-Q53 PolarHBondContact O-N 2.81Å; Q53-S55 PolarHBondContact O-N 2.83Å; Q53-K56 WeakPolarHBondContact O-CB 3.42Å; Q53-K56 PolarHBondContact O-N 2.9Å; Q53-L57 PolarHBondContact O-N 2.84Å
54L96.3Very high96.1Very high0 Ų058.5 Ų58.50%032%0.315CS..Hα-helixtrans-61.8-42.9176.1-71.2166.8000112.1V17 I20 S50 L51 K56 L57 Y63 V65 V108V17-L54 HydrophobicContact CB-CD2 4.4Å; V17-L54 HydrophobicContact CG1-CD2 4.12Å; V17-L54 HydrophobicContact CG2-CD2 3.88Å; I20-L54 HydrophobicContact CD1-CD2 3.99Å; I20-L54 HydrophobicContact CG2-CG 4.29Å; S50-L54 WeakPolarHBondContact O-CB 3.33Å; S50-L54 WeakPolarHBondContact O-CD1 3.27Å; S50-L54 WeakPolarHBondContact O-CG 3.39Å; S50-L54 PolarHBondContact O-N 2.96Å; L51-L54 PolarHBondContact O-N 2.9Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.23Å; L54-L57 HydrophobicContact CD2-CD1 4.23Å; L54-L57 VanDerWaalsContact O-CB 3.27Å; L54-L57 WeakPolarHBondContact O-CB 3.46Å; L54-L57 WeakPolarHBondContact O-CG 3.38Å; L54-L57 PolarHBondContact O-N 3.08Å; L54-L57 VanDerWaalsContact O-N 3.15Å; L54-Y63 HydrophobicContact CB-CD1 4.36Å; L54-Y63 HydrophobicContact CB-CD2 3.92Å; L54-Y63 HydrophobicContact CB-CE1 4.45Å; L54-Y63 HydrophobicContact CB-CE2 4.01Å; L54-Y63 HydrophobicContact CB-CG 4.09Å; L54-Y63 HydrophobicContact CD1-CD1 4.19Å; L54-Y63 HydrophobicContact CD1-CG 4.27Å; L54-Y63 HydrophobicContact CD2-CD1 4.45Å; L54-Y63 HydrophobicContact CD2-CE1 4.21Å; L54-V65 HydrophobicContact CD1-CG2 3.98Å; L54-V108 HydrophobicContact CD1-CG1 3.65Å; L54-V108 HydrophobicContact CD1-CG2 4.24Å
55S94.3Very high96.1Very high76 Ų7656.1 Ų56.153%0.53130%0.3SS..Hα-helixtrans-64.7-30.2176.653.80000113.3L51 S52 Q53 L57 G58L51-S55 WeakPolarHBondContact O-CB 3.3Å; L51-S55 PolarHBondContact O-N 2.84Å; L51-S55 PolarHBondContact O-OG 2.86Å; S52-S55 WeakPolarHBondContact CA-OG 3.28Å; S52-S55 PolarHBondContact O-OG 3.28Å; Q53-S55 PolarHBondContact O-N 2.83Å; S55-L57 PolarHBondContact O-N 2.87Å; S55-G58 PolarHBondContact O-N 3.11Å
56K95.7Very high96.1Very high134 Ų13456.9 Ų56.958%0.58331%0.307SS*.Hα-helixtrans-69.7-17175.3-73.2167.7-169.5169.30113.6S52 Q53 L54 G58S52-K56 WeakPolarHBondContact O-CD 3.29Å; S52-K56 VanDerWaalsContact O-CG 3.26Å; S52-K56 WeakPolarHBondContact O-CG 3.34Å; S52-K56 PolarHBondContact O-N 3.02Å; Q53-K56 WeakPolarHBondContact O-CB 3.42Å; Q53-K56 PolarHBondContact O-N 2.9Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.23Å; K56-G58 PolarHBondContact O-N 2.86Å
57L93Very high96.1Very high50 Ų5057.7 Ų57.726%0.26231%0.313SS..THydrogen-bonded Turntrans-64.3-20.1173.1-60.3180000112E16 I20 Q53 L54 S55 K59E16-L57 HydrophobicContact CG-CD1 4.28Å; E16-L57 HydrophobicContact CG-CD2 4.38Å; E16-L57 WeakPolarHBondContact OE1-CD2 3.28Å; I20-L57 HydrophobicContact CD1-CD1 3.84Å; I20-L57 HydrophobicContact CD1-CD2 4.19Å; I20-L57 HydrophobicContact CD1-CG 4.2Å; Q53-L57 PolarHBondContact O-N 2.84Å; L54-L57 HydrophobicContact CD2-CD1 4.23Å; L54-L57 VanDerWaalsContact O-CB 3.27Å; L54-L57 WeakPolarHBondContact O-CB 3.46Å; L54-L57 WeakPolarHBondContact O-CG 3.38Å; L54-L57 PolarHBondContact O-N 3.08Å; L54-L57 VanDerWaalsContact O-N 3.15Å; S55-L57 PolarHBondContact O-N 2.87Å; L57-K59 HydrophobicContact CB-CD 4.4Å; L57-K59 HydrophobicContact CB-CG 4.14Å; L57-K59 PolarHBondContact O-N 3.21Å; L57-K59 VanDerWaalsContact O-N 3.1Å
58G90.7Very high96Very high64 Ų6459 Ų5966%0.6632%0.32SS*.  trans65.513.4177.700000114.2S55 K56S55-G58 PolarHBondContact O-N 3.11Å; K56-G58 PolarHBondContact O-N 2.86Å
59K91.9Very high96Very high40 Ų4054.4 Ų54.417%0.17430%0.299CS..  trans-79.1147.1178.9-64-177.6170.8178.40110.7A11 E16 L57 F61A11-K59 PolarHBondContact O-NZ 3.36Å; E16-K59 IonicContact OE2-NZ 2.75Å; E16-K59 PolarHBondContact OE2-NZ 3.34Å; L57-K59 HydrophobicContact CB-CD 4.4Å; L57-K59 HydrophobicContact CB-CG 4.14Å; L57-K59 PolarHBondContact O-N 3.21Å; L57-K59 VanDerWaalsContact O-N 3.1Å; K59-F61 HydrophobicContact CB-CD2 3.59Å; K59-F61 HydrophobicContact CB-CE2 3.96Å; K59-F61 HydrophobicContact CD-CE2 4.37Å; K59-F61 PolarHBondContact O-N 3.45Å
60P93.7Very high95.9Very high44 Ų4452.4 Ų52.429%0.28629%0.291SS..SBendtrans-77.366-175.233.3-36.9000112.1T10 I113T10-P60 HydrophobicContact CG2-CG 4.06Å; P60-I113 PolarHBondContact O-N 3.38Å
61F95.2Very high95.8Very high15 Ų1556.4 Ų56.47%0.06631%0.309CS..EExtended strand (participates in β ladder)trans-125.2146179.9-72.4-81.5000112.1T10 F12 K59 Y63 T89 L111 A112T10-F61 VanDerWaalsContact O-CE2 3.31Å; T10-F61 WeakPolarHBondContact O-CE2 3.22Å; T10-F61 WeakPolarHBondContact O-CZ 3.36Å; F12-F61 HydrophobicContact CB-CE1 4.09Å; F12-F61 HydrophobicContact CB-CZ 3.86Å; F12-F61 HydrophobicContact CD2-CE1 4.48Å; K59-F61 HydrophobicContact CB-CD2 3.59Å; K59-F61 HydrophobicContact CB-CE2 3.96Å; K59-F61 HydrophobicContact CD-CE2 4.37Å; K59-F61 PolarHBondContact O-N 3.45Å; F61-Y63 HydrophobicContact CB-CD1 4.26Å; F61-Y63 HydrophobicContact CB-CD2 4.29Å; F61-Y63 HydrophobicContact CB-CE1 3.73Å; F61-Y63 HydrophobicContact CB-CE2 3.78Å; F61-Y63 VanDerWaalsContact CB-CZ 3.47Å; F61-Y63 HydrophobicContact CD2-CE1 4.49Å; F61-Y63 WeakPolarHBondContact CD2-OH 3.2Å; F61-Y63 HydrophobicContact CG-CE1 4.17Å; F61-T89 WeakPolarHBondContact CE1-O 3.41Å; F61-L111 CarbonylContact C-O 3.52Å; F61-L111 VanDerWaalsContact CA-O 3.3Å; F61-L111 WeakPolarHBondContact CA-O 3.29Å; F61-L111 VanDerWaalsContact CD1-C 3.46Å; F61-A112 HydrophobicContact CD1-CB 4.2Å; F61-A112 HydrophobicContact CE1-CB 3.86Å
62K95.6Very high95.7Very high141 Ų14156.4 Ų56.461%0.61331%0.306SS*.EExtended strand (participates in β ladder)trans-86.6122.8155-66.7176.8-175.2165.10108.2L111 I113K62-L111 PolarHBondContact N-O 3.19Å; K62-L111 PolarHBondContact O-N 3.16Å; K62-I113 HydrophobicContact CG-CD1 3.73Å; K62-I113 HydrophobicContact CG-CG1 3.93Å
63Y97.1Very high95.5Very high40 Ų4058.8 Ų58.816%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-101.8135178.3-64.3-70.1000111.8F12 L54 F61 V108 F109F12-Y63 HydrophobicContact CE2-CE1 4.34Å; L54-Y63 HydrophobicContact CB-CD1 4.36Å; L54-Y63 HydrophobicContact CB-CD2 3.92Å; L54-Y63 HydrophobicContact CB-CE1 4.45Å; L54-Y63 HydrophobicContact CB-CE2 4.01Å; L54-Y63 HydrophobicContact CB-CG 4.09Å; L54-Y63 HydrophobicContact CD1-CD1 4.19Å; L54-Y63 HydrophobicContact CD1-CG 4.27Å; L54-Y63 HydrophobicContact CD2-CD1 4.45Å; L54-Y63 HydrophobicContact CD2-CE1 4.21Å; F61-Y63 HydrophobicContact CB-CD1 4.26Å; F61-Y63 HydrophobicContact CB-CD2 4.29Å; F61-Y63 HydrophobicContact CB-CE1 3.73Å; F61-Y63 HydrophobicContact CB-CE2 3.78Å; F61-Y63 VanDerWaalsContact CB-CZ 3.47Å; F61-Y63 HydrophobicContact CD2-CE1 4.49Å; F61-Y63 WeakPolarHBondContact CD2-OH 3.2Å; F61-Y63 HydrophobicContact CG-CE1 4.17Å; Y63-V108 HydrophobicContact CD1-CG1 4.39Å; Y63-F109 CarbonylContact C-O 3.58Å; Y63-F109 WeakPolarHBondContact CA-O 3.34Å
64I97.7Very high95.2Very high89 Ų8959 Ų5946%0.45634%0.338SS..EExtended strand (participates in β ladder)trans-118.9126.9169.9-55.8171.8000107.2V108 F109 L111I64-V108 CarbonylContact O-C 3.52Å; I64-V108 VanDerWaalsContact O-CA 3.28Å; I64-V108 WeakPolarHBondContact O-CA 3.2Å; I64-F109 HydrophobicContact CB-CB 4.26Å; I64-F109 HydrophobicContact CB-CD2 4.36Å; I64-F109 HydrophobicContact CG2-CD2 4.41Å; I64-F109 PolarHBondContact N-O 3.26Å; I64-F109 PolarHBondContact O-N 3.38Å; I64-L111 HydrophobicContact CD1-CD1 3.84Å; I64-L111 HydrophobicContact CG1-CD1 4.25Å
65V98Very high95Very high17 Ų1761.5 Ų61.510%0.10336%0.359CS..EExtended strand (participates in β ladder)trans-122129178.1-175.30000109.3V47 L51 L54 V106 V108V47-V65 HydrophobicContact CG1-CB 4.32Å; V47-V65 HydrophobicContact CG2-CG1 4.26Å; L51-V65 HydrophobicContact CD2-CB 4.41Å; L51-V65 HydrophobicContact CD2-CG2 3.58Å; L51-V65 HydrophobicContact CG-CB 4.17Å; L51-V65 HydrophobicContact CG-CG2 3.64Å; L54-V65 HydrophobicContact CD1-CG2 3.98Å; V65-V106 HydrophobicContact CG1-CG1 3.9Å; V65-V108 HydrophobicContact CB-CG2 4.47Å; V65-V108 HydrophobicContact CG1-CG2 4.1Å; V65-V108 HydrophobicContact CG2-CG1 4.34Å; V65-V108 HydrophobicContact CG2-CG2 3.93Å
66T97.4Very high94.7Very high63 Ų6361.5 Ų61.539%0.38737%0.371SS..EExtended strand (participates in β ladder)trans-121.1136.8175.758.30000108.8V106 S107T66-V106 CarbonylContact O-C 3.55Å; T66-V106 VanDerWaalsContact O-CA 3.25Å; T66-V106 WeakPolarHBondContact O-CA 3.39Å; T66-S107 PolarHBondContact N-O 2.93Å; T66-S107 PolarHBondContact O-N 3.32Å; T66-S107 WeakPolarHBondContact OG1-CB 3.47Å; T66-S107 PolarHBondContact OG1-O 2.93Å; T66-S107 VanDerWaalsContact OG1-O 3.08Å
67C97.4Very high94.5Very high18 Ų1859 Ų5912%0.12236%0.364CS..EExtended strand (participates in β ladder)trans-132.5132.7-180174.50000109.7T43 V46 V47 I105 V106T43-C67 HydrophobicContact CG2-CB 3.94Å; V46-C67 HydrophobicContact CG1-CB 4.28Å; V47-C67 HydrophobicContact CG2-CB 3.66Å; C67-I105 CarbonylContact C-O 3.56Å; C67-I105 WeakPolarHBondContact CA-O 3.33Å; C67-V106 HydrophobicContact CB-CG2 4.19Å
68V96.9Very high94.4Very high58 Ų5865.4 Ų65.435%0.35239%0.393SS..EExtended strand (participates in β ladder)trans-126.7118.2177.4-179.50000108.5L77 C104 I105V68-L77 HydrophobicContact CG1-CD2 3.91Å; V68-C104 CarbonylContact O-C 3.56Å; V68-C104 WeakPolarHBondContact O-CA 3.38Å; V68-I105 PolarHBondContact N-O 3.27Å; V68-I105 PolarHBondContact O-N 2.87Å
69I96.4Very high94.4Very high21 Ų2165.7 Ų65.711%0.10838%0.382CS..EExtended strand (participates in β ladder)trans-107.1129.6173-62.1176.5000108.8I29 V39 W42 M102 Y103 C104I29-I69 HydrophobicContact CD1-CD1 4.35Å; I29-I69 HydrophobicContact CG2-CD1 4.47Å; V39-I69 HydrophobicContact CG1-CB 4.06Å; V39-I69 HydrophobicContact CG1-CG2 4.24Å; V39-I69 HydrophobicContact CG2-CG2 4.45Å; W42-I69 HydrophobicContact CB-CD1 3.66Å; I69-M102 HydrophobicContact CG2-CB 4.48Å; I69-M102 HydrophobicContact CG2-SD 3.87Å; I69-Y103 WeakPolarHBondContact CA-O 3.41Å; I69-C104 HydrophobicContact CG1-CB 4.39Å
70M95.9Very high94.4Very high34 Ų3468.3 Ų68.317%0.16741%0.411CS..EExtended strand (participates in β ladder)trans-131.5134.9-177.8-176.9-169.2-178.700111.1A75 L77 M102 Y103M70-A75 VanDerWaalsContact CE-C 3.44Å; M70-A75 HydrophobicContact CE-CB 3.31Å; M70-A75 VanDerWaalsContact CE-O 3.22Å; M70-A75 WeakPolarHBondContact CE-O 3.39Å; M70-L77 HydrophobicContact CB-CD2 4.37Å; M70-L77 HydrophobicContact CE-CB 4.41Å; M70-L77 HydrophobicContact SD-CB 3.49Å; M70-L77 WeakPolarHBondContact SD-CB 3.29Å; M70-L77 HydrophobicContact SD-CD2 4.07Å; M70-L77 HydrophobicContact SD-CG 4.32Å; M70-M102 CarbonylContact O-C 3.47Å; M70-M102 WeakPolarHBondContact O-CA 3.29Å; M70-M102 WeakPolarHBondContact O-CB 3.13Å; M70-Y103 PolarHBondContact N-O 3.2Å; M70-Y103 PolarHBondContact O-N 3.37Å
71Q96.1Very high94.3Very high84 Ų8469.7 Ų69.739%0.39342%0.422SS..EExtended strand (participates in β ladder)trans-66.4137.4173.1-169.5177.3800111.9Y34 N73Y34-Q71 HydrophobicContact CD1-CB 4.01Å; Y34-Q71 HydrophobicContact CD1-CG 3.61Å; Y34-Q71 HydrophobicContact CD2-CB 4.06Å; Y34-Q71 HydrophobicContact CD2-CG 4.37Å; Y34-Q71 HydrophobicContact CE1-CB 3.77Å; Y34-Q71 VanDerWaalsContact CE1-CD 3.49Å; Y34-Q71 HydrophobicContact CE1-CG 3.74Å; Y34-Q71 HydrophobicContact CE2-CB 3.82Å; Y34-Q71 HydrophobicContact CE2-CG 4.48Å; Y34-Q71 HydrophobicContact CG-CB 4.15Å; Y34-Q71 HydrophobicContact CG-CG 3.94Å; Q71-N73 HydrophobicContact CG-CB 4.45Å; Q71-N73 PolarHBondContact O-N 2.87Å
72K95Very high94.2Very high63 Ų6375 Ų7527%0.27446%0.46SS..  trans-79.594.9168.8-75.1-178.8174.8-165.80110.3E98 N99 S101 M102 Y103K72-E98 WeakPolarHBondContact CE-OE2 3.3Å; K72-E98 IonicContact NZ-OE2 2.64Å; K72-E98 PolarHBondContact NZ-OE2 3.36Å; K72-N99 VanDerWaalsContact CD-O 3.29Å; K72-N99 WeakPolarHBondContact CD-O 3.31Å; K72-N99 WeakPolarHBondContact CE-O 3.44Å; K72-N99 PolarHBondContact NZ-O 3.49Å; K72-S101 PolarHBondContact N-O 3.11Å; K72-M102 WeakPolarHBondContact CE-O 3.27Å; K72-Y103 HydrophobicContact CD-CE1 4.45Å; K72-Y103 HydrophobicContact CD-CE2 4.21Å; K72-Y103 HydrophobicContact CG-CD2 3.7Å; K72-Y103 HydrophobicContact CG-CE2 3.49Å; K72-Y103 VanDerWaalsContact CG-CE2 3.49Å; K72-Y103 HydrophobicContact CG-CG 4.33Å
73N94.6Very high94Very high103 Ų10370.9 Ų70.955%0.55145%0.449SS*.SBendtrans-134.417.5177.365.30.3000112.9Q71 A75Q71-N73 HydrophobicContact CG-CB 4.45Å; Q71-N73 PolarHBondContact O-N 2.87Å; N73-A75 VanDerWaalsContact OD1-CB 3.29Å; N73-A75 WeakPolarHBondContact OD1-CB 3.43Å; N73-A75 PolarHBondContact OD1-N 3.17Å; N73-A75 VanDerWaalsContact OD1-N 3.16Å
74G90.5Very high93.9Very high84 Ų8479.3 Ų79.387%0.86649%0.487SS*.SBendtrans89.9-5.1-17700000114.7
75A91Very high93.8Very high53 Ų5378.2 Ų78.244%0.43848%0.477SS..  trans-71.6147.117100000111.7M70 N73M70-A75 VanDerWaalsContact CE-C 3.44Å; M70-A75 HydrophobicContact CE-CB 3.31Å; M70-A75 VanDerWaalsContact CE-O 3.22Å; M70-A75 WeakPolarHBondContact CE-O 3.39Å; N73-A75 VanDerWaalsContact OD1-CB 3.29Å; N73-A75 WeakPolarHBondContact OD1-CB 3.43Å; N73-A75 PolarHBondContact OD1-N 3.17Å; N73-A75 VanDerWaalsContact OD1-N 3.16Å
76G89.9Confident93.5Very high76 Ų7681.1 Ų81.178%0.78449%0.491SS*.  trans-93.1155.1174.800000112.7
77L90.2Very high93.1Very high82 Ų8284.8 Ų84.843%0.42951%0.509SS..  trans-136.9130.8174174.866.1000109.8V68 M70 I105V68-L77 HydrophobicContact CG1-CD2 3.91Å; M70-L77 HydrophobicContact CB-CD2 4.37Å; M70-L77 HydrophobicContact CE-CB 4.41Å; M70-L77 HydrophobicContact SD-CB 3.49Å; M70-L77 WeakPolarHBondContact SD-CB 3.29Å; M70-L77 HydrophobicContact SD-CD2 4.07Å; M70-L77 HydrophobicContact SD-CG 4.32Å; L77-I105 HydrophobicContact CD2-CD1 3.64Å; L77-I105 HydrophobicContact CD2-CG1 4.47Å; L77-I105 HydrophobicContact CG-CD1 4.37Å
78Q92.3Very high92.7Very high185 Ų18589.7 Ų89.786%0.86454%0.539SS*.  trans-123.3125.7171.6-1741685.100109.1
79T90.2Very high92.3Very high70 Ų7089.9 Ų89.943%0.42954%0.54SS..  trans-123.1131.8176.3-51.90000108.1
80A91.8Very high92.2Very high94 Ų9490.1 Ų90.178%0.77754%0.541SS*.  trans-134.6148.4174.200000108.7
81S90.6Very high92.1Very high74 Ų7489 Ų8952%0.51754%0.538SS..  trans-120.9147.2173.449.30000109.5
82S93.5Very high92.1Very high126 Ų12687.1 Ų87.188%0.88153%0.534SS*.  trans-128.3129170.2-175.20000107.3
83C92.5Very high92.2Very high54 Ų5484.4 Ų84.437%0.36552%0.523SS..  trans-127.8137.6-173.1-60.40000109.2W85C83-W85 HydrophobicContact CB-CD2 3.72Å; C83-W85 HydrophobicContact CB-CE3 4.02Å; C83-W85 HydrophobicContact CB-CG 4.08Å; C83-W85 HydrophobicContact CB-CH2 4.45Å; C83-W85 HydrophobicContact CB-CZ2 4.21Å; C83-W85 HydrophobicContact CB-CZ3 4.39Å
84F94.8Very high92.3Very high218 Ų21882.9 Ų82.996%0.95652%0.518SS*.  trans-118.4104.3168.2-176.8-107.3000107.5
85W94.8Very high92.6Very high66 Ų6679.4 Ų79.425%0.2548%0.48CS..SBendtrans-159.1178.7-163.867.53.8000111C83 N87 D90 G91 F109C83-W85 HydrophobicContact CB-CD2 3.72Å; C83-W85 HydrophobicContact CB-CE3 4.02Å; C83-W85 HydrophobicContact CB-CG 4.08Å; C83-W85 HydrophobicContact CB-CH2 4.45Å; C83-W85 HydrophobicContact CB-CZ2 4.21Å; C83-W85 HydrophobicContact CB-CZ3 4.39Å; W85-N87 PolarHBondContact NE1-OD1 2.64Å; W85-N87 VanDerWaalsContact NE1-OD1 3.11Å; W85-D90 HydrophobicContact CB-CB 4.05Å; W85-D90 WeakPolarHBondContact CB-OD2 3.46Å; W85-D90 HydrophobicContact CD2-CB 3.75Å; W85-D90 HydrophobicContact CE3-CB 3.65Å; W85-D90 HydrophobicContact CG-CB 3.95Å; W85-D90 HydrophobicContact CZ3-CB 4.34Å; W85-G91 VanDerWaalsContact CZ3-O 3.3Å; W85-G91 WeakPolarHBondContact CZ3-O 3.44Å; W85-F109 HydrophobicContact CH2-CD1 4.33Å; W85-F109 HydrophobicContact CZ3-CB 4.46Å; W85-F109 AromaticContact CZ3-CD1 3.98Å; W85-F109 HydrophobicContact CZ3-CD1 3.98Å
86D92.2Very high92.9Very high77 Ų7786.7 Ų86.741%0.41250%0.496SS..  trans-87.2113.2175.5-172.7-22.8000110.7T88 T89 D90D86-T88 VanDerWaalsContact CG-OG1 3.31Å; D86-T88 PolarHBondContact O-N 2.99Å; D86-T88 VanDerWaalsContact O-N 3.09Å; D86-T88 WeakPolarHBondContact OD1-CB 3.39Å; D86-T88 PolarHBondContact OD1-N 2.97Å; D86-T88 PolarHBondContact OD1-OG1 2.84Å; D86-T88 PolarHBondContact OD2-OG1 2.78Å; D86-T89 WeakPolarHBondContact CB-OG1 3.38Å; D86-T89 PolarHBondContact O-N 3.04Å; D86-D90 PolarHBondContact N-OD2 2.74Å; D86-D90 VanDerWaalsContact O-CB 3.27Å; D86-D90 WeakPolarHBondContact O-CB 3.43Å; D86-D90 PolarHBondContact O-N 2.8Å
87N89Confident93.2Very high141 Ų14184.9 Ų84.975%0.75447%0.465SS*.THydrogen-bonded Turntrans-67.9-7.6-178.6-69-30.3000114.4W85W85-N87 PolarHBondContact NE1-OD1 2.64Å; W85-N87 VanDerWaalsContact NE1-OD1 3.11Å
88T87.9Confident93.4Very high121 Ų12186.5 Ų86.574%0.74247%0.471SS*.THydrogen-bonded Turntrans-93.5-28.917966.80000112.8D86D86-T88 VanDerWaalsContact CG-OG1 3.31Å; D86-T88 PolarHBondContact O-N 2.99Å; D86-T88 VanDerWaalsContact O-N 3.09Å; D86-T88 WeakPolarHBondContact OD1-CB 3.39Å; D86-T88 PolarHBondContact OD1-N 2.97Å; D86-T88 PolarHBondContact OD1-OG1 2.84Å; D86-T88 PolarHBondContact OD2-OG1 2.78Å
89T89.4Confident93.5Very high61 Ų6179.1 Ų79.137%0.37444%0.438SS..THydrogen-bonded Turntrans-120-31.1-172.653.80000113.3F61 D86F61-T89 WeakPolarHBondContact CE1-O 3.41Å; D86-T89 WeakPolarHBondContact CB-OG1 3.38Å; D86-T89 PolarHBondContact O-N 3.04Å
90D93.5Very high93.8Very high27 Ų2785.9 Ų85.914%0.14446%0.461CS..  trans-90.9152.9-177.7-55.8-36.5000111.6W85 D86 G110 L111 A112W85-D90 HydrophobicContact CB-CB 4.05Å; W85-D90 WeakPolarHBondContact CB-OD2 3.46Å; W85-D90 HydrophobicContact CD2-CB 3.75Å; W85-D90 HydrophobicContact CE3-CB 3.65Å; W85-D90 HydrophobicContact CG-CB 3.95Å; W85-D90 HydrophobicContact CZ3-CB 4.34Å; D86-D90 PolarHBondContact N-OD2 2.74Å; D86-D90 VanDerWaalsContact O-CB 3.27Å; D86-D90 WeakPolarHBondContact O-CB 3.43Å; D86-D90 PolarHBondContact O-N 2.8Å; D90-G110 WeakPolarHBondContact CA-O 3.34Å; D90-L111 WeakPolarHBondContact OD1-CA 3.22Å; D90-A112 PolarHBondContact OD1-N 3.4Å
91G94.4Very high93.9Very high10 Ų1082.7 Ų82.710%0.10343%0.433CS..EExtended strand (participates in β ladder)trans-154.6161.8-175.400000114.3W85 F109 G110W85-G91 VanDerWaalsContact CZ3-O 3.3Å; W85-G91 WeakPolarHBondContact CZ3-O 3.44Å; G91-F109 CarbonylContact O-C 3.59Å; G91-F109 WeakPolarHBondContact O-CA 3.22Å; G91-G110 PolarHBondContact N-O 2.88Å; G91-G110 PolarHBondContact O-N 2.84Å
92S96.2Very high94.2Very high44 Ų4479.1 Ų79.131%0.30841%0.408SS..EExtended strand (participates in β ladder)trans-136.9154.4171.8620000111.9V108S92-V108 CarbonylContact C-O 3.49Å; S92-V108 WeakPolarHBondContact CA-O 3.14Å; S92-V108 WeakPolarHBondContact CB-O 3.49Å
93C96.9Very high94.3Very high7 Ų777.8 Ų77.85%0.04738%0.384CS..EExtended strand (participates in β ladder)trans-138.3123.1174.6-176.10000108.8F12 V14 V17 I21 S107 V108F12-C93 HydrophobicContact CE1-CB 4.28Å; F12-C93 HydrophobicContact CZ-CB 4.25Å; V14-C93 HydrophobicContact CG1-CB 4.16Å; V17-C93 HydrophobicContact CB-CB 4.24Å; V17-C93 HydrophobicContact CG1-CB 3.69Å; I21-C93 HydrophobicContact CD1-CB 4.3Å; C93-S107 WeakPolarHBondContact O-CA 3.4Å; C93-V108 PolarHBondContact N-O 3.18Å; C93-V108 PolarHBondContact O-N 2.82Å
94T97.3Very high94.5Very high71 Ų7175.2 Ų75.244%0.43637%0.367SS..EExtended strand (participates in β ladder)trans-113.4122174.3-63.50000109.6I105 V106 S107T94-I105 HydrophobicContact CG2-CG2 3.9Å; T94-V106 CarbonylContact C-O 3.52Å; T94-V106 WeakPolarHBondContact CA-O 3.41Å; T94-S107 WeakPolarHBondContact CG2-OG 3.43Å; T94-S107 WeakPolarHBondContact OG1-CB 3.43Å; T94-S107 PolarHBondContact OG1-OG 3.17Å
95V97.3Very high94.6Very high11 Ų1165.9 Ų65.97%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-109.3132.6174.4176.30000109.1I21 K22 V106I21-V95 HydrophobicContact CB-CB 4.33Å; I21-V95 HydrophobicContact CB-CG2 3.94Å; I21-V95 HydrophobicContact CD1-CG2 3.86Å; I21-V95 HydrophobicContact CG2-CB 3.63Å; I21-V95 HydrophobicContact CG2-CG1 4.17Å; I21-V95 HydrophobicContact CG2-CG2 3.82Å; K22-V95 HydrophobicContact CG-CG1 3.84Å; V95-V106 PolarHBondContact N-O 2.81Å; V95-V106 PolarHBondContact O-N 2.85Å
96R96.1Very high94.8Very high206 Ų20662.8 Ų62.878%0.77732%0.315SS*.EExtended strand (participates in β ladder)trans-105121.6169.9-60.6-177.9-175.7179.21.4108.1I105R96-I105 HydrophobicContact CG-CG1 4.38Å
97W96.5Very high95.1Very high37 Ų3759.6 Ų59.614%0.1430%0.299CS..EExtended strand (participates in β ladder)trans-119.1149174.2179.699000109.1V25 E26 I29 N99 M102 C104V25-W97 HydrophobicContact CB-CG 4.49Å; V25-W97 HydrophobicContact CG1-CB 3.76Å; V25-W97 HydrophobicContact CG1-CD2 3.58Å; V25-W97 HydrophobicContact CG1-CE3 3.99Å; V25-W97 HydrophobicContact CG1-CG 3.47Å; V25-W97 VanDerWaalsContact CG1-CG 3.47Å; E26-W97 PolarHBondContact OE2-NE1 2.99Å; I29-W97 HydrophobicContact CD1-CE3 3.77Å; I29-W97 HydrophobicContact CD1-CH2 4.13Å; I29-W97 HydrophobicContact CD1-CZ3 3.48Å; I29-W97 VanDerWaalsContact CD1-CZ3 3.48Å; I29-W97 HydrophobicContact CG1-CE3 4.3Å; I29-W97 HydrophobicContact CG1-CH2 3.97Å; I29-W97 HydrophobicContact CG1-CZ3 3.85Å; W97-N99 HydrophobicContact CH2-CB 3.49Å; W97-N99 VanDerWaalsContact CH2-CB 3.49Å; W97-N99 WeakPolarHBondContact CH2-ND2 3.25Å; W97-N99 HydrophobicContact CZ2-CB 4Å; W97-N99 HydrophobicContact CZ3-CB 3.99Å; W97-M102 HydrophobicContact CH2-CE 4.45Å; W97-M102 HydrophobicContact CZ3-CE 4.25Å; W97-M102 HydrophobicContact CZ3-CG 4.4Å; W97-C104 HydrophobicContact CB-CB 4.34Å; W97-C104 HydrophobicContact CE3-CB 3.79Å; W97-C104 PolarHBondContact N-O 2.9Å; W97-C104 PolarHBondContact O-N 2.84Å; W97-C104 VanDerWaalsContact O-O 3.06Å
98E95.2Very high95.5Very high116 Ų11652.9 Ų52.954%0.54226%0.263SS..EExtended strand (participates in β ladder)trans-149.2151.6177.865.6176.3160.600111.8K72 Y103K72-E98 WeakPolarHBondContact CE-OE2 3.3Å; K72-E98 IonicContact NZ-OE2 2.64Å; K72-E98 PolarHBondContact NZ-OE2 3.36Å; E98-Y103 HydrophobicContact CB-CD1 3.8Å; E98-Y103 HydrophobicContact CB-CE1 4.22Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.4Å
99N94.3Very high96Very high31 Ų3148.4 Ų48.417%0.16623%0.233CC..  trans-128.3-166.616473.815.7000110.6N32 K72 W97 S101 M102N32-N99 PolarHBondContact O-ND2 2.87Å; K72-N99 VanDerWaalsContact CD-O 3.29Å; K72-N99 WeakPolarHBondContact CD-O 3.31Å; K72-N99 WeakPolarHBondContact CE-O 3.44Å; K72-N99 PolarHBondContact NZ-O 3.49Å; W97-N99 HydrophobicContact CH2-CB 3.49Å; W97-N99 VanDerWaalsContact CH2-CB 3.49Å; W97-N99 WeakPolarHBondContact CH2-ND2 3.25Å; W97-N99 HydrophobicContact CZ2-CB 4Å; W97-N99 HydrophobicContact CZ3-CB 3.99Å; N99-S101 PolarHBondContact O-N 3.38Å; N99-S101 VanDerWaalsContact O-N 3.17Å; N99-S101 PolarHBondContact OD1-N 3.47Å; N99-S101 PolarHBondContact OD1-OG 2.78Å; N99-M102 PolarHBondContact N-O 3.3Å; N99-M102 WeakPolarHBondContact OD1-CG 3.19Å; N99-M102 PolarHBondContact OD1-N 3.27Å
100K94.8Very high96.3Very high211 Ų21145.5 Ų45.592%0.91722%0.215SC*.SBendtrans-61.1-24-178.6-66.4-176.3179.5177.80114.3
101S95.4Very high96.4Very high27 Ų2746.7 Ų46.719%0.18922%0.222CC..SBendtrans-122.1-14.8-166.163.30000115.3A33 Y34 K72 N99A33-S101 WeakPolarHBondContact CA-OG 3.42Å; Y34-S101 PolarHBondContact N-OG 3.02Å; K72-S101 PolarHBondContact N-O 3.11Å; N99-S101 PolarHBondContact O-N 3.38Å; N99-S101 VanDerWaalsContact O-N 3.17Å; N99-S101 PolarHBondContact OD1-N 3.47Å; N99-S101 PolarHBondContact OD1-OG 2.78Å
102M96.2Very high96.4Very high0 Ų048.1 Ų48.10%023%0.232CC..EExtended strand (participates in β ladder)trans-154158.6-178.355.2-175.1173.700112.9I29 N32 Y34 W42 I69 M70 K72 W97 N99I29-M102 HydrophobicContact CB-CE 3.81Å; I29-M102 HydrophobicContact CD1-CE 4.08Å; I29-M102 HydrophobicContact CG1-CE 4.37Å; I29-M102 HydrophobicContact CG2-CE 4.4Å; N32-M102 WeakPolarHBondContact O-CE 3.5Å; Y34-M102 HydrophobicContact CD2-CB 3.92Å; Y34-M102 HydrophobicContact CD2-SD 4.02Å; Y34-M102 HydrophobicContact CG-CB 4.47Å; W42-M102 HydrophobicContact CE3-CE 4.44Å; W42-M102 HydrophobicContact CE3-SD 4.31Å; W42-M102 HydrophobicContact CZ3-CE 4.09Å; W42-M102 HydrophobicContact CZ3-SD 3.94Å; I69-M102 HydrophobicContact CG2-CB 4.48Å; I69-M102 HydrophobicContact CG2-SD 3.87Å; M70-M102 CarbonylContact O-C 3.47Å; M70-M102 WeakPolarHBondContact O-CA 3.29Å; M70-M102 WeakPolarHBondContact O-CB 3.13Å; K72-M102 WeakPolarHBondContact CE-O 3.27Å; W97-M102 HydrophobicContact CH2-CE 4.45Å; W97-M102 HydrophobicContact CZ3-CE 4.25Å; W97-M102 HydrophobicContact CZ3-CG 4.4Å; N99-M102 PolarHBondContact N-O 3.3Å; N99-M102 WeakPolarHBondContact OD1-CG 3.19Å; N99-M102 PolarHBondContact OD1-N 3.27Å
103Y95.8Very high95.9Very high97 Ų9753.5 Ų53.538%0.3826%0.256SS..EExtended strand (participates in β ladder)trans-101.1147.3164.1-61.8-74.5000109.4I69 M70 K72 E98I69-Y103 WeakPolarHBondContact CA-O 3.41Å; M70-Y103 PolarHBondContact N-O 3.2Å; M70-Y103 PolarHBondContact O-N 3.37Å; K72-Y103 HydrophobicContact CD-CE1 4.45Å; K72-Y103 HydrophobicContact CD-CE2 4.21Å; K72-Y103 HydrophobicContact CG-CD2 3.7Å; K72-Y103 HydrophobicContact CG-CE2 3.49Å; K72-Y103 VanDerWaalsContact CG-CE2 3.49Å; K72-Y103 HydrophobicContact CG-CG 4.33Å; E98-Y103 HydrophobicContact CB-CD1 3.8Å; E98-Y103 HydrophobicContact CB-CE1 4.22Å; E98-Y103 WeakPolarHBondContact OE2-CE1 3.4Å
104C97Very high95.9Very high0 Ų055.8 Ų55.80%027%0.266CS..EExtended strand (participates in β ladder)trans-131123.2169.1-175.20000108.5V25 I29 V68 I69 W97V25-C104 HydrophobicContact CG1-CB 4.28Å; I29-C104 HydrophobicContact CD1-CB 3.67Å; V68-C104 CarbonylContact O-C 3.56Å; V68-C104 WeakPolarHBondContact O-CA 3.38Å; I69-C104 HydrophobicContact CG1-CB 4.39Å; W97-C104 HydrophobicContact CB-CB 4.34Å; W97-C104 HydrophobicContact CE3-CB 3.79Å; W97-C104 PolarHBondContact N-O 2.9Å; W97-C104 PolarHBondContact O-N 2.84Å; W97-C104 VanDerWaalsContact O-O 3.06Å
105I97.4Very high95.8Very high22 Ų2255 Ų5511%0.11326%0.257CS..EExtended strand (participates in β ladder)trans-116.4121.4175.8-55.2-178.9000107.3C67 V68 L77 T94 R96C67-I105 CarbonylContact C-O 3.56Å; C67-I105 WeakPolarHBondContact CA-O 3.33Å; V68-I105 PolarHBondContact N-O 3.27Å; V68-I105 PolarHBondContact O-N 2.87Å; L77-I105 HydrophobicContact CD2-CD1 3.64Å; L77-I105 HydrophobicContact CD2-CG1 4.47Å; L77-I105 HydrophobicContact CG-CD1 4.37Å; T94-I105 HydrophobicContact CG2-CG2 3.9Å; R96-I105 HydrophobicContact CG-CG1 4.38Å
106V98Very high95.7Very high1 Ų157.4 Ų57.41%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-118.6127.1176.7-177.50000108.4I21 V25 V46 V65 T66 C67 T94 V95 V108I21-V106 HydrophobicContact CG1-CG1 4.34Å; I21-V106 HydrophobicContact CG2-CB 3.57Å; I21-V106 HydrophobicContact CG2-CG1 3.68Å; I21-V106 HydrophobicContact CG2-CG2 4.14Å; V25-V106 HydrophobicContact CG2-CG2 3.65Å; V46-V106 HydrophobicContact CG1-CG2 3.65Å; V65-V106 HydrophobicContact CG1-CG1 3.9Å; T66-V106 CarbonylContact O-C 3.55Å; T66-V106 VanDerWaalsContact O-CA 3.25Å; T66-V106 WeakPolarHBondContact O-CA 3.39Å; C67-V106 HydrophobicContact CB-CG2 4.19Å; T94-V106 CarbonylContact C-O 3.52Å; T94-V106 WeakPolarHBondContact CA-O 3.41Å; V95-V106 PolarHBondContact N-O 2.81Å; V95-V106 PolarHBondContact O-N 2.85Å; V106-V108 HydrophobicContact CG1-CG2 4.47Å
107S97.9Very high95.7Very high10 Ų1048.7 Ų48.77%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-120.6126.6173.7-52.30000110.1T66 C93 T94T66-S107 PolarHBondContact N-O 2.93Å; T66-S107 PolarHBondContact O-N 3.32Å; T66-S107 WeakPolarHBondContact OG1-CB 3.47Å; T66-S107 PolarHBondContact OG1-O 2.93Å; T66-S107 VanDerWaalsContact OG1-O 3.08Å; C93-S107 WeakPolarHBondContact O-CA 3.4Å; T94-S107 WeakPolarHBondContact CG2-OG 3.43Å; T94-S107 WeakPolarHBondContact OG1-CB 3.43Å; T94-S107 PolarHBondContact OG1-OG 3.17Å
108V98.1Very high95.6Very high0 Ų049.4 Ų49.40%024%0.244CC..EExtended strand (participates in β ladder)trans-109.9136176.5178.20000108.6V17 I21 L54 Y63 I64 V65 S92 C93 V106V17-V108 HydrophobicContact CG1-CB 3.93Å; V17-V108 HydrophobicContact CG1-CG1 3.89Å; V17-V108 HydrophobicContact CG1-CG2 4.25Å; I21-V108 HydrophobicContact CD1-CB 4.11Å; I21-V108 HydrophobicContact CD1-CG2 3.42Å; I21-V108 VanDerWaalsContact CD1-CG2 3.42Å; I21-V108 HydrophobicContact CG1-CG2 3.65Å; L54-V108 HydrophobicContact CD1-CG1 3.65Å; L54-V108 HydrophobicContact CD1-CG2 4.24Å; Y63-V108 HydrophobicContact CD1-CG1 4.39Å; I64-V108 CarbonylContact O-C 3.52Å; I64-V108 VanDerWaalsContact O-CA 3.28Å; I64-V108 WeakPolarHBondContact O-CA 3.2Å; V65-V108 HydrophobicContact CB-CG2 4.47Å; V65-V108 HydrophobicContact CG1-CG2 4.1Å; V65-V108 HydrophobicContact CG2-CG1 4.34Å; V65-V108 HydrophobicContact CG2-CG2 3.93Å; S92-V108 CarbonylContact C-O 3.49Å; S92-V108 WeakPolarHBondContact CA-O 3.14Å; S92-V108 WeakPolarHBondContact CB-O 3.49Å; C93-V108 PolarHBondContact N-O 3.18Å; C93-V108 PolarHBondContact O-N 2.82Å; V106-V108 HydrophobicContact CG1-CG2 4.47Å
109F97.5Very high95.7Very high27 Ų2745 Ų4512%0.11822%0.224CC..EExtended strand (participates in β ladder)trans-120.4125.9171-52.8-95.8000107.9Y63 I64 W85 G91 L111Y63-F109 CarbonylContact C-O 3.58Å; Y63-F109 WeakPolarHBondContact CA-O 3.34Å; I64-F109 HydrophobicContact CB-CB 4.26Å; I64-F109 HydrophobicContact CB-CD2 4.36Å; I64-F109 HydrophobicContact CG2-CD2 4.41Å; I64-F109 PolarHBondContact N-O 3.26Å; I64-F109 PolarHBondContact O-N 3.38Å; W85-F109 HydrophobicContact CH2-CD1 4.33Å; W85-F109 HydrophobicContact CZ3-CB 4.46Å; W85-F109 AromaticContact CZ3-CD1 3.98Å; W85-F109 HydrophobicContact CZ3-CD1 3.98Å; G91-F109 CarbonylContact O-C 3.59Å; G91-F109 WeakPolarHBondContact O-CA 3.22Å; F109-L111 HydrophobicContact CB-CD1 4.48Å
110G96.9Very high95.8Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-109.5122.517200000109.3D90 G91D90-G110 WeakPolarHBondContact CA-O 3.34Å; G91-G110 PolarHBondContact N-O 2.88Å; G91-G110 PolarHBondContact O-N 2.84Å
111L95.6Very high95.8Very high53 Ų5333.3 Ų33.328%0.27718%0.175SC..EExtended strand (participates in β ladder)trans-112.9120.5176.5-56.697.2000109.6F61 K62 I64 D90 F109F61-L111 CarbonylContact C-O 3.52Å; F61-L111 VanDerWaalsContact CA-O 3.3Å; F61-L111 WeakPolarHBondContact CA-O 3.29Å; F61-L111 VanDerWaalsContact CD1-C 3.46Å; K62-L111 PolarHBondContact N-O 3.19Å; K62-L111 PolarHBondContact O-N 3.16Å; I64-L111 HydrophobicContact CD1-CD1 3.84Å; I64-L111 HydrophobicContact CG1-CD1 4.25Å; D90-L111 WeakPolarHBondContact OD1-CA 3.22Å; F109-L111 HydrophobicContact CB-CD1 4.48Å
112A93.4Very high95.9Very high39 Ų3933.8 Ų33.832%0.32217%0.174SC..EExtended strand (participates in β ladder)trans-64.7150.9-176.700000111.2F61 D90F61-A112 HydrophobicContact CD1-CB 4.2Å; F61-A112 HydrophobicContact CE1-CB 3.86Å; D90-A112 PolarHBondContact OD1-N 3.4Å
113I86.7Confident95.9Very high157 Ų15736.9 Ų36.981%0.80519%0.19SC*.  trans-110.40-179.5-55.5177.8000110.5P60 K62P60-I113 PolarHBondContact O-N 3.38Å; K62-I113 HydrophobicContact CG-CD1 3.73Å; K62-I113 HydrophobicContact CG-CG1 3.93Å

Retrieved 113 of 113 residues in 100 ms (Link to these results)

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