A0A087WQK7_MOUSE Loading...

Zinc finger protein 672

AlphaFold DB , UniProt , Accession A0A087WQK7, Species MOUSE (Mus musculus, Mouse), Gene Zfp672, Length 89 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
1M57.2Low51.7Low222 Ų222136.5 Ų136.5100%1.09480%0.803SS**  089.1030.6-176159.600108.8
2F43.4Very low52.2Low209 Ų209138 Ų13892%0.91780%0.796SS**  trans-146.1121.9159.8-75.2-73.7000107
3T46.4Very low53.3Low138 Ų138134.3 Ų134.385%0.84776%0.761SS**PPolyproline II helixtrans-51.8131-168.923.90000113.2
4A53.2Low54.8Low85 Ų85131.1 Ų131.170%0.70275%0.748SS**PPolyproline II helixtrans-50.8135.7162.800000109.3G6A4-G6 PolarHBondContact O-N 3.04Å
5P54.1Low56.3Low128 Ų128129 Ų12983%0.83172%0.724SS**PPolyproline II helixtrans-60.8117.1167.424.9-28.8000106.6M7P5-M7 PolarHBondContact O-N 3.35Å
6G54.9Low57.8Low69 Ų69124.9 Ų124.971%0.71171%0.707SS**PPolyproline II helixtrans-49.1134.1-17800000110.2A4 A8A4-G6 PolarHBondContact O-N 3.04Å; G6-A8 VanDerWaalsContact C-N 3.29Å; G6-A8 PolarHBondContact O-N 3.4Å
7M56Low59.2Low187 Ų187117.7 Ų117.792%0.92167%0.666SS**  trans-52.496.6164.9-74.4-178.6178.300108.7P5 T9P5-M7 PolarHBondContact O-N 3.35Å; M7-T9 PolarHBondContact O-N 3.18Å; M7-T9 VanDerWaalsContact O-N 3.17Å
8A54.3Low60Low83 Ų83117.8 Ų117.869%0.68668%0.675SS**  trans-72.3101.5156.800000105.6G6 T10G6-A8 VanDerWaalsContact C-N 3.29Å; G6-A8 PolarHBondContact O-N 3.4Å; A8-T10 VanDerWaalsContact C-N 3.26Å; A8-T10 PolarHBondContact O-N 2.87Å; A8-T10 PolarHBondContact O-OG1 3.3Å
9T44.3Very low60.6Low132 Ų132116.7 Ų116.781%0.8167%0.671SS**  trans-64.398160.530.40000106.2M7 Q11M7-T9 PolarHBondContact O-N 3.18Å; M7-T9 VanDerWaalsContact O-N 3.17Å; T9-Q11 PolarHBondContact O-N 3.36Å
10T50.3Low61.5Low102 Ų102113.8 Ų113.863%0.62666%0.657SS**  trans-67.357.3177.9-37.20000110.6A8 E12A8-T10 VanDerWaalsContact C-N 3.26Å; A8-T10 PolarHBondContact O-N 2.87Å; A8-T10 PolarHBondContact O-OG1 3.3Å; T10-E12 HydrophobicContact CG2-CB 4.19Å; T10-E12 HydrophobicContact CG2-CG 3.46Å; T10-E12 VanDerWaalsContact CG2-CG 3.46Å; T10-E12 PolarHBondContact O-N 3.1Å
11Q54.6Low62Low147 Ų147110.9 Ų110.969%0.68765%0.652SS**  trans-76.969.7151.7-119.7-170.814.900105.8T9 R13T9-Q11 PolarHBondContact O-N 3.36Å; Q11-R13 PolarHBondContact O-N 3.17Å
12E57.9Low63Low154 Ų154106.4 Ų106.472%0.7263%0.626SS**  trans-64.286.2171-83.7-177.3150.200107.5T10 P14T10-E12 HydrophobicContact CG2-CB 4.19Å; T10-E12 HydrophobicContact CG2-CG 3.46Å; T10-E12 VanDerWaalsContact CG2-CG 3.46Å; T10-E12 PolarHBondContact O-N 3.1Å; E12-P14 WeakPolarHBondContact O-CD 3.42Å
13R66.3Low64.8Low90 Ų9098.7 Ų98.734%0.3460%0.599SS.*  trans-103.473.5170.1-71.3172.378.9157.56.5105.2Q11 Y15 S23 F24Q11-R13 PolarHBondContact O-N 3.17Å; R13-Y15 PolarHBondContact O-N 3.36Å; R13-S23 PolarHBondContact NE-O 3.44Å; R13-S23 PolarHBondContact NH2-O 3.34Å; R13-F24 CarbonylContact C-O 3.4Å; R13-F24 VanDerWaalsContact C-O 3.29Å; R13-F24 WeakPolarHBondContact CA-O 3.24Å; R13-F24 WeakPolarHBondContact CB-O 3.2Å
14P74.9Confident66.4Low90 Ų9093.4 Ų93.458%0.58456%0.564SS**  trans-63.9-15.2-171.727-35.4000112.2E12E12-P14 WeakPolarHBondContact O-CD 3.42Å
15Y77Confident67.8Low99 Ų9995.1 Ų95.139%0.38856%0.557SS.*EExtended strand (participates in β ladder)trans-97.990.6-179-56.3-70.9000110.2R13 S23 F24 Y26 S27R13-Y15 PolarHBondContact O-N 3.36Å; Y15-S23 CarbonylContact O-C 3.56Å; Y15-F24 PolarHBondContact N-O 2.8Å; Y15-F24 PolarHBondContact O-N 3.4Å; Y15-Y26 VanDerWaalsContact CD2-C 3.49Å; Y15-S27 VanDerWaalsContact CD2-N 3.28Å
16S80.1Confident69.2Low64 Ų6495.7 Ų95.745%0.44854%0.544SS..EExtended strand (participates in β ladder)trans-96.2141.6174.353.20000112.5
17C80.9Confident70.4Confident2 Ų295.2 Ų95.21%0.01453%0.53CS..  trans-77.5124.1174-178.30000109.9V19 G21 K22 F24 L30 H33 E34 H37C17-V19 PolarHBondContact O-N 2.96Å; C17-V19 PolarHBondContact SG-N 3.07Å; C17-V19 VanDerWaalsContact SG-N 3.4Å; C17-G21 WeakPolarHBondContact O-CA 3.48Å; C17-G21 PolarHBondContact O-N 2.92Å; C17-K22 WeakPolarHBondContact CB-O 3.26Å; C17-K22 PolarHBondContact N-O 2.82Å; C17-F24 HydrophobicContact CB-CE2 4.34Å; C17-L30 VanDerWaalsContact CA-CD1 3.49Å; C17-L30 HydrophobicContact CB-CD1 3.66Å; C17-H33 VanDerWaalsContact SG-CD2 3.59Å; C17-E34 PolarHBondContact SG-OE1 3.03Å; C17-E34 VanDerWaalsContact SG-OE1 3.34Å; C17-H37 PolarHBondContact SG-CD2 3.11Å; C17-H37 PolarHBondContact SG-NE2 3.4Å
18S74.6Confident71.5Confident119 Ų11989.7 Ų89.783%0.83251%0.513SS*.THydrogen-bonded Turntrans-72.9-16.1178.6-67.60000112.8E34S18-E34 PolarHBondContact N-OE1 3.32Å
19V70.8Confident72.8Confident98 Ų9887.8 Ų87.859%0.59449%0.493SS*.THydrogen-bonded Turntrans-85.7-39.4-178-176.10000112.6C17 H37C17-V19 PolarHBondContact O-N 2.96Å; C17-V19 PolarHBondContact SG-N 3.07Å; C17-V19 VanDerWaalsContact SG-N 3.4Å; V19-H37 HydrophobicContact CB-CB 4.45Å; V19-H37 HydrophobicContact CG1-CB 4.11Å; V19-H37 HydrophobicContact CG2-CB 4.38Å
20C78.9Confident74.6Confident57 Ų5782.6 Ų82.639%0.38546%0.46SS..THydrogen-bonded Turntrans-129.13.2-175.771.70000114.6K22 H33 H37C20-K22 PolarHBondContact O-N 3.39Å; C20-H33 PolarHBondContact SG-NE2 3.27Å; C20-H37 PolarHBondContact SG-NE2 3.48Å
21G72.9Confident76Confident54 Ų5482.4 Ų82.456%0.55746%0.455SS*.  trans71.74.5178.200000115.1C17 S23C17-G21 WeakPolarHBondContact O-CA 3.48Å; C17-G21 PolarHBondContact O-N 2.92Å; G21-S23 PolarHBondContact O-N 3.26Å
22K77.5Confident77Confident127 Ų12782 Ų8255%0.55245%0.447SS*.  trans-71.3122.5177.3-74.9-178179.1-1800110.8C17 C20 F24C17-K22 WeakPolarHBondContact CB-O 3.26Å; C17-K22 PolarHBondContact N-O 2.82Å; C20-K22 PolarHBondContact O-N 3.39Å; K22-F24 HydrophobicContact CB-CE2 3.77Å; K22-F24 HydrophobicContact CB-CZ 3.89Å; K22-F24 WeakPolarHBondContact O-CD2 3.37Å; K22-F24 VanDerWaalsContact O-CE2 3.26Å; K22-F24 WeakPolarHBondContact O-CE2 3.39Å
23S80.5Confident78.1Confident48 Ų4876.4 Ų76.434%0.33642%0.421SS..EExtended strand (participates in β ladder)trans-77.8155.2173.3-36.70000110.7R13 Y15 G21R13-S23 PolarHBondContact NE-O 3.44Å; R13-S23 PolarHBondContact NH2-O 3.34Å; Y15-S23 CarbonylContact O-C 3.56Å; G21-S23 PolarHBondContact O-N 3.26Å
24F81.4Confident78.6Confident27 Ų2775.6 Ų75.612%0.11842%0.421CS..EExtended strand (participates in β ladder)trans-143.3150.8174.4-62.5-85.2000110.4R13 Y15 C17 K22 V29 L30 H33R13-F24 CarbonylContact C-O 3.4Å; R13-F24 VanDerWaalsContact C-O 3.29Å; R13-F24 WeakPolarHBondContact CA-O 3.24Å; R13-F24 WeakPolarHBondContact CB-O 3.2Å; Y15-F24 PolarHBondContact N-O 2.8Å; Y15-F24 PolarHBondContact O-N 3.4Å; C17-F24 HydrophobicContact CB-CE2 4.34Å; K22-F24 HydrophobicContact CB-CE2 3.77Å; K22-F24 HydrophobicContact CB-CZ 3.89Å; K22-F24 WeakPolarHBondContact O-CD2 3.37Å; K22-F24 VanDerWaalsContact O-CE2 3.26Å; K22-F24 WeakPolarHBondContact O-CE2 3.39Å; F24-V29 HydrophobicContact CB-CB 4.49Å; F24-V29 HydrophobicContact CB-CG1 4.44Å; F24-V29 HydrophobicContact CD1-CB 4.42Å; F24-V29 HydrophobicContact CD1-CG1 3.53Å; F24-V29 HydrophobicContact CE1-CG1 4.1Å; F24-V29 HydrophobicContact CG-CG1 4.19Å; F24-L30 HydrophobicContact CB-CB 4.32Å; F24-L30 HydrophobicContact CD2-CB 4.08Å; F24-L30 HydrophobicContact CD2-CD1 3.72Å; F24-L30 HydrophobicContact CE2-CD1 4.07Å; F24-L30 HydrophobicContact CG-CB 4.46Å; F24-H33 HydrophobicContact CE1-CB 4.35Å; F24-H33 HydrophobicContact CE2-CB 3.9Å; F24-H33 AromaticContact CE2-CD2 3.36Å; F24-H33 WeakPolarHBondContact CE2-CD2 3.36Å; F24-H33 AromaticContact CE2-CG 3.52Å; F24-H33 AromaticContact CE2-NE2 3.86Å; F24-H33 HydrophobicContact CZ-CB 3.71Å; F24-H33 AromaticContact CZ-CD2 3.62Å; F24-H33 AromaticContact CZ-CE1 3.89Å; F24-H33 AromaticContact CZ-CG 3.32Å; F24-H33 AromaticContact CZ-ND1 3.52Å; F24-H33 AromaticContact CZ-NE2 3.93Å
25Q81.6Confident78.4Confident121 Ų12176.6 Ų76.657%0.56541%0.413SS*.SBendtrans-75.3-26.7-178.9-169.3176.914.300112.6
26Y82.8Confident78Confident140 Ų14074.6 Ų74.655%0.54942%0.417SS..SBendtrans-128.3138.2-175.5-55.9-76.7000111.5Y15 A28 V29 L30Y15-Y26 VanDerWaalsContact CD2-C 3.49Å; Y26-A28 VanDerWaalsContact C-N 3.28Å; Y26-A28 PolarHBondContact O-N 3.03Å; Y26-V29 HydrophobicContact CD2-CG2 4.3Å; Y26-V29 PolarHBondContact O-N 2.7Å; Y26-V29 VanDerWaalsContact O-N 3.08Å; Y26-L30 PolarHBondContact O-N 3.37Å; Y26-L30 VanDerWaalsContact O-N 3.09Å
27S80.2Confident77.5Confident59 Ų5975 Ų7541%0.41341%0.412SS..Hα-helixtrans-58.6-38176.260.90000112.3Y15 V29 L30 L31Y15-S27 VanDerWaalsContact CD2-N 3.28Å; S27-V29 VanDerWaalsContact C-N 3.26Å; S27-V29 PolarHBondContact O-N 3.41Å; S27-L30 PolarHBondContact O-N 3.36Å; S27-L31 VanDerWaalsContact O-CB 3.3Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 2.97Å
28A80.2Confident76.7Confident70 Ų7078 Ų7858%0.57944%0.443SS*.Hα-helixtrans-61.5-34.417700000112.8Y26 R32Y26-A28 VanDerWaalsContact C-N 3.28Å; Y26-A28 PolarHBondContact O-N 3.03Å; A28-R32 WeakPolarHBondContact O-CB 3.29Å; A28-R32 PolarHBondContact O-N 2.68Å; A28-R32 VanDerWaalsContact O-N 3.11Å
29V80.4Confident75.9Confident44 Ų4474.8 Ų74.827%0.26743%0.428SS..Hα-helixtrans-75.5-41.9177.8-178.70000110.1F24 Y26 S27 R32 H33F24-V29 HydrophobicContact CB-CB 4.49Å; F24-V29 HydrophobicContact CB-CG1 4.44Å; F24-V29 HydrophobicContact CD1-CB 4.42Å; F24-V29 HydrophobicContact CD1-CG1 3.53Å; F24-V29 HydrophobicContact CE1-CG1 4.1Å; F24-V29 HydrophobicContact CG-CG1 4.19Å; Y26-V29 HydrophobicContact CD2-CG2 4.3Å; Y26-V29 PolarHBondContact O-N 2.7Å; Y26-V29 VanDerWaalsContact O-N 3.08Å; S27-V29 VanDerWaalsContact C-N 3.26Å; S27-V29 PolarHBondContact O-N 3.41Å; V29-R32 PolarHBondContact O-N 2.81Å; V29-H33 VanDerWaalsContact O-CB 3.32Å; V29-H33 WeakPolarHBondContact O-CB 3.37Å; V29-H33 PolarHBondContact O-N 2.71Å
30L83.4Confident75.2Confident22 Ų2274 Ų7412%0.11542%0.421CS..Hα-helixtrans-58.1-49.8171.7174.166000110.9C17 F24 Y26 S27 R32 H33 E34C17-L30 VanDerWaalsContact CA-CD1 3.49Å; C17-L30 HydrophobicContact CB-CD1 3.66Å; F24-L30 HydrophobicContact CB-CB 4.32Å; F24-L30 HydrophobicContact CD2-CB 4.08Å; F24-L30 HydrophobicContact CD2-CD1 3.72Å; F24-L30 HydrophobicContact CE2-CD1 4.07Å; F24-L30 HydrophobicContact CG-CB 4.46Å; Y26-L30 PolarHBondContact O-N 3.37Å; Y26-L30 VanDerWaalsContact O-N 3.09Å; S27-L30 PolarHBondContact O-N 3.36Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 2.59Å; L30-H33 CarbonylContact O-C 3.34Å; L30-H33 WeakPolarHBondContact O-CA 3.32Å; L30-H33 VanDerWaalsContact O-CB 3.29Å; L30-H33 WeakPolarHBondContact O-CB 3.36Å; L30-H33 PolarHBondContact O-N 2.74Å; L30-E34 HydrophobicContact CD1-CG 3.85Å; L30-E34 HydrophobicContact CG-CG 4.2Å; L30-E34 WeakPolarHBondContact O-CG 3.16Å; L30-E34 PolarHBondContact O-N 3.29Å
31L79.3Confident74.2Confident98 Ų9876.2 Ų76.251%0.51342%0.424SS..Hα-helixtrans-67.5-27.2-176.3-150.2143.4000112.6S27 R35S27-L31 VanDerWaalsContact O-CB 3.3Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 2.97Å; L31-R35 VanDerWaalsContact CD2-NH2 3.26Å; L31-R35 PolarHBondContact O-N 3.5Å; L31-R35 PolarHBondContact O-NE 3.44Å
32R76.4Confident73.6Confident138 Ų13879.5 Ų79.552%0.52142%0.42SS..Hα-helixtrans-72.4-40.9168-177.6175.367.1-166.81.5111.5A28 V29 L30 R35 A36A28-R32 WeakPolarHBondContact O-CB 3.29Å; A28-R32 PolarHBondContact O-N 2.68Å; A28-R32 VanDerWaalsContact O-N 3.11Å; V29-R32 PolarHBondContact O-N 2.81Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 2.59Å; R32-R35 PolarHBondContact O-N 3.36Å; R32-A36 PolarHBondContact O-N 2.76Å
33H80.6Confident72.9Confident38 Ų3876.7 Ų76.718%0.17641%0.408CS..Hα-helixtrans-65.7-42.7177.5171.277.6000112C17 C20 F24 V29 L30 R35 A36 H37C17-H33 VanDerWaalsContact SG-CD2 3.59Å; C20-H33 PolarHBondContact SG-NE2 3.27Å; F24-H33 HydrophobicContact CE1-CB 4.35Å; F24-H33 HydrophobicContact CE2-CB 3.9Å; F24-H33 AromaticContact CE2-CD2 3.36Å; F24-H33 WeakPolarHBondContact CE2-CD2 3.36Å; F24-H33 AromaticContact CE2-CG 3.52Å; F24-H33 AromaticContact CE2-NE2 3.86Å; F24-H33 HydrophobicContact CZ-CB 3.71Å; F24-H33 AromaticContact CZ-CD2 3.62Å; F24-H33 AromaticContact CZ-CE1 3.89Å; F24-H33 AromaticContact CZ-CG 3.32Å; F24-H33 AromaticContact CZ-ND1 3.52Å; F24-H33 AromaticContact CZ-NE2 3.93Å; V29-H33 VanDerWaalsContact O-CB 3.32Å; V29-H33 WeakPolarHBondContact O-CB 3.37Å; V29-H33 PolarHBondContact O-N 2.71Å; L30-H33 CarbonylContact O-C 3.34Å; L30-H33 WeakPolarHBondContact O-CA 3.32Å; L30-H33 VanDerWaalsContact O-CB 3.29Å; L30-H33 WeakPolarHBondContact O-CB 3.36Å; L30-H33 PolarHBondContact O-N 2.74Å; H33-R35 VanDerWaalsContact C-N 3.32Å; H33-R35 PolarHBondContact O-N 3.02Å; H33-A36 WeakPolarHBondContact O-CA 3.17Å; H33-A36 VanDerWaalsContact O-CB 3.24Å; H33-A36 WeakPolarHBondContact O-CB 3.47Å; H33-A36 PolarHBondContact O-N 2.95Å; H33-H37 AromaticContact CD2-CD2 3.96Å; H33-H37 AromaticContact CD2-NE2 3.65Å; H33-H37 AromaticContact CE1-NE2 3.48Å; H33-H37 PolarHBondContact CE1-NE2 3.29Å; H33-H37 AromaticContact NE2-CD2 3.69Å; H33-H37 AromaticContact NE2-CE1 3.84Å; H33-H37 AromaticContact NE2-NE2 2.92Å; H33-H37 PolarHBondContact NE2-NE2 2.81Å; H33-H37 PolarHBondContact O-N 2.92Å
34E75.4Confident71.9Confident72 Ų7276.8 Ų76.834%0.33641%0.407SS..Hα-helixtrans-66.8-33.6177.5-63.3-150.612700112.5C17 S18 L30 A36 H37 G38C17-E34 PolarHBondContact SG-OE1 3.03Å; C17-E34 VanDerWaalsContact SG-OE1 3.34Å; S18-E34 PolarHBondContact N-OE1 3.32Å; L30-E34 HydrophobicContact CD1-CG 3.85Å; L30-E34 HydrophobicContact CG-CG 4.2Å; L30-E34 WeakPolarHBondContact O-CG 3.16Å; L30-E34 PolarHBondContact O-N 3.29Å; E34-A36 PolarHBondContact O-N 2.95Å; E34-H37 WeakPolarHBondContact O-CB 3.17Å; E34-H37 PolarHBondContact O-N 3.48Å; E34-G38 PolarHBondContact O-N 3.24Å
35R72.3Confident71.4Confident111 Ų11175.7 Ų75.742%0.41940%0.403SS..Hα-helixtrans-62.9-24.8169.2-84.9-174.4-82.4-168-9.6113.6L31 R32 H33L31-R35 VanDerWaalsContact CD2-NH2 3.26Å; L31-R35 PolarHBondContact O-N 3.5Å; L31-R35 PolarHBondContact O-NE 3.44Å; R32-R35 PolarHBondContact O-N 3.36Å; H33-R35 VanDerWaalsContact C-N 3.32Å; H33-R35 PolarHBondContact O-N 3.02Å
36A67.6Low70.6Confident57 Ų5778.2 Ų78.247%0.47142%0.42SS..Hα-helixtrans-75.3-29.1173.500000112.4R32 H33 E34 G39R32-A36 PolarHBondContact O-N 2.76Å; H33-A36 WeakPolarHBondContact O-CA 3.17Å; H33-A36 VanDerWaalsContact O-CB 3.24Å; H33-A36 WeakPolarHBondContact O-CB 3.47Å; H33-A36 PolarHBondContact O-N 2.95Å; E34-A36 PolarHBondContact O-N 2.95Å; A36-G39 PolarHBondContact O-N 3.08Å
37H69.1Low69.9Low74 Ų7477.2 Ų77.234%0.34342%0.42SS..Hα-helixtrans-68.4-37.9174.6-74.3-56.7000112.8C17 V19 C20 H33 E34 G39C17-H37 PolarHBondContact SG-CD2 3.11Å; C17-H37 PolarHBondContact SG-NE2 3.4Å; V19-H37 HydrophobicContact CB-CB 4.45Å; V19-H37 HydrophobicContact CG1-CB 4.11Å; V19-H37 HydrophobicContact CG2-CB 4.38Å; C20-H37 PolarHBondContact SG-NE2 3.48Å; H33-H37 AromaticContact CD2-CD2 3.96Å; H33-H37 AromaticContact CD2-NE2 3.65Å; H33-H37 AromaticContact CE1-NE2 3.48Å; H33-H37 PolarHBondContact CE1-NE2 3.29Å; H33-H37 AromaticContact NE2-CD2 3.69Å; H33-H37 AromaticContact NE2-CE1 3.84Å; H33-H37 AromaticContact NE2-NE2 2.92Å; H33-H37 PolarHBondContact NE2-NE2 2.81Å; H33-H37 PolarHBondContact O-N 2.92Å; E34-H37 WeakPolarHBondContact O-CB 3.17Å; E34-H37 PolarHBondContact O-N 3.48Å; H37-G39 PolarHBondContact O-N 3.28Å
38G65.4Low69.4Low65 Ų6577.7 Ų77.767%0.6742%0.423SS*.THydrogen-bonded Turntrans-65.60.7177.200000114.5E34 D40E34-G38 PolarHBondContact O-N 3.24Å; G38-D40 PolarHBondContact O-N 3.09Å
39G58.2Low68.7Low50 Ų5076.4 Ų76.452%0.51542%0.416SS..THydrogen-bonded Turntrans61.816.1-177.300000112.7A36 H37 K41A36-G39 PolarHBondContact O-N 3.08Å; H37-G39 PolarHBondContact O-N 3.28Å; G39-K41 PolarHBondContact O-N 3.31Å
40D54.6Low68.1Low81 Ų8179 Ų7943%0.43343%0.425SS..  trans-74.462.5176.8-156.3-103.2000108.2G38 R42G38-D40 PolarHBondContact O-N 3.09Å; D40-R42 WeakPolarHBondContact O-CG 3.14Å; D40-R42 PolarHBondContact O-N 3.08Å; D40-R42 WeakPolarHBondContact OD1-CB 3.02Å; D40-R42 WeakPolarHBondContact OD1-CD 3.1Å; D40-R42 WeakPolarHBondContact OD1-CG 3.3Å; D40-R42 IonicContact OD1-NE 3.48Å; D40-R42 PolarHBondContact OD1-NE 3.33Å
41K58.5Low67.2Low105 Ų10585.1 Ų85.146%0.45745%0.447SS..  trans-75.969159.7-71.3161.3156.1-140.50106G39 F43 R51 C52G39-K41 PolarHBondContact O-N 3.31Å; K41-F43 PolarHBondContact O-N 3.43Å; K41-F43 VanDerWaalsContact O-N 3.08Å; K41-R51 HydrophobicContact CB-CB 3.49Å; K41-R51 VanDerWaalsContact CB-CB 3.49Å; K41-R51 HydrophobicContact CB-CG 4.36Å; K41-R51 HydrophobicContact CD-CB 3.62Å; K41-R51 WeakPolarHBondContact CD-O 3.44Å; K41-R51 WeakPolarHBondContact CE-O 3.48Å; K41-R51 HydrophobicContact CG-CB 4.11Å; K41-R51 WeakPolarHBondContact CG-O 3.08Å; K41-R51 PolarHBondContact NZ-O 2.86Å; K41-C52 CarbonylContact C-O 3.29Å; K41-C52 WeakPolarHBondContact CA-O 3.45Å; K41-C52 WeakPolarHBondContact CB-O 3.48Å
42R61Low66.7Low123 Ų12381 Ų8146%0.46443%0.426SS..  trans-58.3-17.4-179.425.1-177.8166.4172.54.1112.6D40D40-R42 WeakPolarHBondContact O-CG 3.14Å; D40-R42 PolarHBondContact O-N 3.08Å; D40-R42 WeakPolarHBondContact OD1-CB 3.02Å; D40-R42 WeakPolarHBondContact OD1-CD 3.1Å; D40-R42 WeakPolarHBondContact OD1-CG 3.3Å; D40-R42 IonicContact OD1-NE 3.48Å; D40-R42 PolarHBondContact OD1-NE 3.33Å
43F62.6Low66.1Low68 Ų6876.2 Ų76.230%0.29842%0.415SS..EExtended strand (participates in β ladder)trans-104.8100179.8-58.9-74.3000109.1K41 C52 A55 L58K41-F43 PolarHBondContact O-N 3.43Å; K41-F43 VanDerWaalsContact O-N 3.08Å; F43-C52 HydrophobicContact CB-CB 4.5Å; F43-C52 PolarHBondContact N-O 2.79Å; F43-C52 PolarHBondContact O-N 3.33Å; F43-A55 HydrophobicContact CD1-CB 3.96Å; F43-A55 HydrophobicContact CD2-CB 4.39Å; F43-A55 VanDerWaalsContact CD2-N 3.28Å; F43-A55 HydrophobicContact CE1-CB 3.63Å; F43-A55 HydrophobicContact CE2-CB 4.09Å; F43-A55 HydrophobicContact CG-CB 4.32Å; F43-A55 HydrophobicContact CZ-CB 3.7Å; F43-L58 HydrophobicContact CB-CB 3.67Å; F43-L58 HydrophobicContact CB-CD2 3.6Å; F43-L58 HydrophobicContact CB-CG 4.13Å; F43-L58 HydrophobicContact CD1-CD2 4.44Å; F43-L58 HydrophobicContact CG-CD2 4.49Å
44C59.8Low65.4Low49 Ų4980.4 Ų80.433%0.33143%0.43SS..EExtended strand (participates in β ladder)trans-98.8132.1177.9-1610000109.9E50 R51C44-E50 CarbonylContact C-O 3.49Å; C44-E50 WeakPolarHBondContact CA-O 3.41Å; C44-R51 HydrophobicContact CB-CG 4.23Å
45C70.6Confident65.1Low5 Ų579.1 Ų79.13%0.03443%0.432CS..  trans-73.9123.6169.2-174.20000108.6E47 G49 E50 L58 H61C45-E47 VanDerWaalsContact C-N 3.29Å; C45-G49 WeakPolarHBondContact O-CA 3.05Å; C45-G49 PolarHBondContact O-N 2.85Å; C45-E50 HydrophobicContact CB-CB 4.3Å; C45-E50 WeakPolarHBondContact CB-O 3.42Å; C45-E50 PolarHBondContact N-O 3.46Å; C45-L58 HydrophobicContact CB-CD1 3.69Å; C45-L58 VanDerWaalsContact N-CD1 3.34Å; C45-H61 WeakPolarHBondContact CB-NE2 3.29Å; C45-H61 PolarHBondContact SG-CD2 3.44Å; C45-H61 PolarHBondContact SG-NE2 3.25Å
46L64.9Low65Low174 Ų17476.8 Ų76.891%0.91144%0.436SS*.THydrogen-bonded Turntrans-78.7-15.6178.3-67.7169.4000112.4
47E66.6Low65.1Low119 Ų11976 Ų7656%0.55642%0.424SS*.THydrogen-bonded Turntrans-85.3-32.6-178.4-63.9-178.690.800112.4C45 R62C45-E47 VanDerWaalsContact C-N 3.29Å; E47-R62 IonicContact OE2-NE 3.65Å
48C70.6Confident65.4Low69 Ų6974 Ų7447%0.46642%0.416SS..THydrogen-bonded Turntrans-133.6-1179.2680000115.2E50 H61 H65C48-E50 PolarHBondContact O-N 2.96Å; C48-E50 VanDerWaalsContact SG-CB 3.56Å; C48-H61 PolarHBondContact SG-CE1 3.19Å; C48-H61 PolarHBondContact SG-NE2 3.4Å; C48-H65 PolarHBondContact SG-NE2 3Å; C48-H65 VanDerWaalsContact SG-NE2 3.36Å
49G64.7Low65.8Low42 Ų4279.2 Ų79.243%0.43342%0.415SS..  trans75.75.9-178.100000114.8C45 R51C45-G49 WeakPolarHBondContact O-CA 3.05Å; C45-G49 PolarHBondContact O-N 2.85Å; G49-R51 PolarHBondContact O-N 3.35Å
50E68.1Low66.4Low99 Ų9977.5 Ų77.546%0.46340%0.396SS..  trans-66.3133.1179.2-168.4173.1110.100110.8C44 C45 C48 H61C44-E50 CarbonylContact C-O 3.49Å; C44-E50 WeakPolarHBondContact CA-O 3.41Å; C45-E50 HydrophobicContact CB-CB 4.3Å; C45-E50 WeakPolarHBondContact CB-O 3.42Å; C45-E50 PolarHBondContact N-O 3.46Å; C48-E50 PolarHBondContact O-N 2.96Å; C48-E50 VanDerWaalsContact SG-CB 3.56Å; E50-H61 VanDerWaalsContact CB-CE1 3.44Å; E50-H61 WeakPolarHBondContact CB-CE1 3.41Å; E50-H61 IonicContact OE1-CE1 3.35Å; E50-H61 PolarHBondContact OE1-CE1 2.79Å; E50-H61 IonicContact OE1-CG 3.73Å; E50-H61 IonicContact OE1-ND1 2.79Å; E50-H61 PolarHBondContact OE1-ND1 3.35Å; E50-H61 IonicContact OE2-CE1 3.46Å; E50-H61 PolarHBondContact OE2-CE1 2.74Å; E50-H61 IonicContact OE2-ND1 3.65Å
51R65.8Low67.4Low151 Ų15174.5 Ų74.557%0.5738%0.379SS*.EExtended strand (participates in β ladder)trans-106.7119.8-174.8-81.8-169.5165.498.8-3.4109.4K41 C44 G49K41-R51 HydrophobicContact CB-CB 3.49Å; K41-R51 VanDerWaalsContact CB-CB 3.49Å; K41-R51 HydrophobicContact CB-CG 4.36Å; K41-R51 HydrophobicContact CD-CB 3.62Å; K41-R51 WeakPolarHBondContact CD-O 3.44Å; K41-R51 WeakPolarHBondContact CE-O 3.48Å; K41-R51 HydrophobicContact CG-CB 4.11Å; K41-R51 WeakPolarHBondContact CG-O 3.08Å; K41-R51 PolarHBondContact NZ-O 2.86Å; C44-R51 HydrophobicContact CB-CG 4.23Å; G49-R51 PolarHBondContact O-N 3.35Å
52C67.1Low68Low12 Ų1277.2 Ų77.28%0.08139%0.386CS..EExtended strand (participates in β ladder)trans-111.5146.7179.1-59.20000111.9K41 F43 D57 L58K41-C52 CarbonylContact C-O 3.29Å; K41-C52 WeakPolarHBondContact CA-O 3.45Å; K41-C52 WeakPolarHBondContact CB-O 3.48Å; F43-C52 HydrophobicContact CB-CB 4.5Å; F43-C52 PolarHBondContact N-O 2.79Å; F43-C52 PolarHBondContact O-N 3.33Å; C52-D57 HydrophobicContact CB-CB 3.9Å; C52-L58 HydrophobicContact CB-CB 4.1Å
53A64.7Low68.5Low36 Ų3677.1 Ų77.130%0.29839%0.386SS..SBendtrans-79.4-18.8-178.900000113.7
54R66.4Low68.7Low126 Ų12677 Ų7748%0.47539%0.391SS..SBendtrans-130.7147-178.6-61.7174.4-73.3174.90.5111A56 D57 L58R54-A56 PolarHBondContact O-N 2.73Å; R54-D57 HydrophobicContact CB-CB 4.37Å; R54-D57 WeakPolarHBondContact CB-OD2 3.43Å; R54-D57 IonicContact CZ-OD1 3.39Å; R54-D57 IonicContact CZ-OD2 3.25Å; R54-D57 VanDerWaalsContact CZ-OD2 3.25Å; R54-D57 IonicContact NE-OD1 3.53Å; R54-D57 IonicContact NE-OD2 2.73Å; R54-D57 PolarHBondContact NE-OD2 3.33Å; R54-D57 VanDerWaalsContact NH2-CG 3.33Å; R54-D57 IonicContact NH2-OD1 2.88Å; R54-D57 PolarHBondContact NH2-OD1 3.18Å; R54-D57 IonicContact NH2-OD2 2.98Å; R54-D57 PolarHBondContact NH2-OD2 3.16Å; R54-D57 PolarHBondContact O-N 2.98Å; R54-L58 PolarHBondContact O-N 2.93Å
55A68Low69.2Low46 Ų4678.4 Ų78.438%0.3839%0.393SS..Hα-helixtrans-61.5-33.3175.200000112.4F43 L58 R59F43-A55 HydrophobicContact CD1-CB 3.96Å; F43-A55 HydrophobicContact CD2-CB 4.39Å; F43-A55 VanDerWaalsContact CD2-N 3.28Å; F43-A55 HydrophobicContact CE1-CB 3.63Å; F43-A55 HydrophobicContact CE2-CB 4.09Å; F43-A55 HydrophobicContact CG-CB 4.32Å; F43-A55 HydrophobicContact CZ-CB 3.7Å; A55-L58 PolarHBondContact O-N 3.36Å; A55-R59 VanDerWaalsContact O-CB 3.31Å; A55-R59 WeakPolarHBondContact O-CB 3.39Å; A55-R59 PolarHBondContact O-N 3.43Å
56A69.8Low68.9Low61 Ų6181.2 Ų81.250%0.50442%0.416SS..Hα-helixtrans-65.7-41.5175.700000111.9R54 R59 A60R54-A56 PolarHBondContact O-N 2.73Å; A56-R59 PolarHBondContact O-N 3.06Å; A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.42Å; A56-A60 PolarHBondContact O-N 3.23Å
57D70.5Confident68.8Low41 Ų4176 Ų7622%0.21940%0.404CS..Hα-helixtrans-65.5-42.5175.7-62-27.5000110.6C52 R54 A60 H61C52-D57 HydrophobicContact CB-CB 3.9Å; R54-D57 HydrophobicContact CB-CB 4.37Å; R54-D57 WeakPolarHBondContact CB-OD2 3.43Å; R54-D57 IonicContact CZ-OD1 3.39Å; R54-D57 IonicContact CZ-OD2 3.25Å; R54-D57 VanDerWaalsContact CZ-OD2 3.25Å; R54-D57 IonicContact NE-OD1 3.53Å; R54-D57 IonicContact NE-OD2 2.73Å; R54-D57 PolarHBondContact NE-OD2 3.33Å; R54-D57 VanDerWaalsContact NH2-CG 3.33Å; R54-D57 IonicContact NH2-OD1 2.88Å; R54-D57 PolarHBondContact NH2-OD1 3.18Å; R54-D57 IonicContact NH2-OD2 2.98Å; R54-D57 PolarHBondContact NH2-OD2 3.16Å; R54-D57 PolarHBondContact O-N 2.98Å; D57-A60 PolarHBondContact O-N 2.88Å; D57-H61 VanDerWaalsContact O-CB 3.24Å; D57-H61 WeakPolarHBondContact O-CB 3.24Å; D57-H61 PolarHBondContact O-N 3.4Å
58L75.7Confident68.2Low33 Ų3376.1 Ų76.117%0.17341%0.405CS..Hα-helixtrans-65.5-40.4176-179.168000112F43 C45 C52 R54 A55 H61 R62F43-L58 HydrophobicContact CB-CB 3.67Å; F43-L58 HydrophobicContact CB-CD2 3.6Å; F43-L58 HydrophobicContact CB-CG 4.13Å; F43-L58 HydrophobicContact CD1-CD2 4.44Å; F43-L58 HydrophobicContact CG-CD2 4.49Å; C45-L58 HydrophobicContact CB-CD1 3.69Å; C45-L58 VanDerWaalsContact N-CD1 3.34Å; C52-L58 HydrophobicContact CB-CB 4.1Å; R54-L58 PolarHBondContact O-N 2.93Å; A55-L58 PolarHBondContact O-N 3.36Å; L58-H61 PolarHBondContact O-N 3.28Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 2.83Å
59R73.6Confident67.3Low174 Ų17478.6 Ų78.666%0.65742%0.418SS*.Hα-helixtrans-62.2-47.8176.8-174.1-178.7-64.2179.7-1.3110A55 A56 R62 W63A55-R59 VanDerWaalsContact O-CB 3.31Å; A55-R59 WeakPolarHBondContact O-CB 3.39Å; A55-R59 PolarHBondContact O-N 3.43Å; A56-R59 PolarHBondContact O-N 3.06Å; R59-R62 PolarHBondContact O-N 3.45Å; R59-W63 PolarHBondContact O-N 3.41Å
60A71.1Confident67.1Low13 Ų1377.7 Ų77.711%0.10740%0.403CS..Hα-helixtrans-57.1-50.5174.500000111.2A56 D57 R62 W63 T64 L70A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.42Å; A56-A60 PolarHBondContact O-N 3.23Å; D57-A60 PolarHBondContact O-N 2.88Å; A60-R62 VanDerWaalsContact C-N 3.28Å; A60-R62 PolarHBondContact O-N 3.05Å; A60-W63 WeakPolarHBondContact O-CB 3.19Å; A60-W63 PolarHBondContact O-N 2.9Å; A60-T64 PolarHBondContact O-N 2.87Å; A60-L70 HydrophobicContact CB-CD1 3.62Å; A60-L70 HydrophobicContact CB-CD2 4.13Å; A60-L70 VanDerWaalsContact O-CD1 3.31Å; A60-L70 WeakPolarHBondContact O-CD1 3.39Å
61H75.4Confident66.7Low18 Ų1879 Ų798%0.08341%0.405CS..Hα-helixtrans-55.9-40.1174.917293.5000112.8C45 C48 E50 D57 L58 W63 T64 H65C45-H61 WeakPolarHBondContact CB-NE2 3.29Å; C45-H61 PolarHBondContact SG-CD2 3.44Å; C45-H61 PolarHBondContact SG-NE2 3.25Å; C48-H61 PolarHBondContact SG-CE1 3.19Å; C48-H61 PolarHBondContact SG-NE2 3.4Å; E50-H61 VanDerWaalsContact CB-CE1 3.44Å; E50-H61 WeakPolarHBondContact CB-CE1 3.41Å; E50-H61 IonicContact OE1-CE1 3.35Å; E50-H61 PolarHBondContact OE1-CE1 2.79Å; E50-H61 IonicContact OE1-CG 3.73Å; E50-H61 IonicContact OE1-ND1 2.79Å; E50-H61 PolarHBondContact OE1-ND1 3.35Å; E50-H61 IonicContact OE2-CE1 3.46Å; E50-H61 PolarHBondContact OE2-CE1 2.74Å; E50-H61 IonicContact OE2-ND1 3.65Å; D57-H61 VanDerWaalsContact O-CB 3.24Å; D57-H61 WeakPolarHBondContact O-CB 3.24Å; D57-H61 PolarHBondContact O-N 3.4Å; L58-H61 PolarHBondContact O-N 3.28Å; H61-W63 PolarHBondContact O-N 3.19Å; H61-T64 PolarHBondContact O-N 2.83Å; H61-T64 PolarHBondContact O-OG1 3.2Å; H61-H65 AromaticContact CD2-CD2 3.83Å; H61-H65 AromaticContact CD2-NE2 3.73Å; H61-H65 AromaticContact CE1-NE2 3.57Å; H61-H65 AromaticContact NE2-CD2 3.51Å; H61-H65 AromaticContact NE2-NE2 2.93Å; H61-H65 PolarHBondContact NE2-NE2 3.49Å; H61-H65 PolarHBondContact O-CD2 3.04Å
62R70.8Confident66.2Low162 Ų16275.7 Ų75.761%0.61140%0.398SS*.Hα-helixtrans-65.9-26177.9-165.3173.6177-165.6-5.3112.7E47 L58 R59 A60 T64 H65 A66E47-R62 IonicContact OE2-NE 3.65Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 2.83Å; R59-R62 PolarHBondContact O-N 3.45Å; A60-R62 VanDerWaalsContact C-N 3.28Å; A60-R62 PolarHBondContact O-N 3.05Å; R62-T64 VanDerWaalsContact C-N 3.34Å; R62-H65 PolarHBondContact O-N 3.36Å; R62-A66 PolarHBondContact O-N 2.06Å
63W71.2Confident65.7Low122 Ų12275.8 Ų75.846%0.46240%0.398SS..Hα-helixtrans-75.6-25.1178-72.838.8000112.3R59 A60 H61 H65 A66 G67 Q68R59-W63 PolarHBondContact O-N 3.41Å; A60-W63 WeakPolarHBondContact O-CB 3.19Å; A60-W63 PolarHBondContact O-N 2.9Å; H61-W63 PolarHBondContact O-N 3.19Å; W63-H65 VanDerWaalsContact C-N 3.31Å; W63-A66 CarbonylContact O-C 3.59Å; W63-A66 PolarHBondContact O-N 3.31Å; W63-G67 PolarHBondContact O-N 3.37Å; W63-G67 VanDerWaalsContact O-N 3.12Å; W63-Q68 HydrophobicContact CE3-CB 4.03Å; W63-Q68 PolarHBondContact O-N 3.39Å; W63-Q68 VanDerWaalsContact O-N 3.08Å
64T68Low65.2Low64 Ų6480.2 Ų80.239%0.39343%0.427SS..Hα-helixtrans-68.1-31.7171.365.90000111.8A60 H61 R62 G67 L70A60-T64 PolarHBondContact O-N 2.87Å; H61-T64 PolarHBondContact O-N 2.83Å; H61-T64 PolarHBondContact O-OG1 3.2Å; R62-T64 VanDerWaalsContact C-N 3.34Å; T64-G67 PolarHBondContact O-N 3.38Å; T64-L70 HydrophobicContact CG2-CD1 4.11Å
65H68.8Low64.6Low80 Ų8083.6 Ų83.637%0.3745%0.448SS..Hα-helixtrans-68.4-38.4170.8-69.9-69.7000112.3C48 H61 R62 W63 G67C48-H65 PolarHBondContact SG-NE2 3Å; C48-H65 VanDerWaalsContact SG-NE2 3.36Å; H61-H65 AromaticContact CD2-CD2 3.83Å; H61-H65 AromaticContact CD2-NE2 3.73Å; H61-H65 AromaticContact CE1-NE2 3.57Å; H61-H65 AromaticContact NE2-CD2 3.51Å; H61-H65 AromaticContact NE2-NE2 2.93Å; H61-H65 PolarHBondContact NE2-NE2 3.49Å; H61-H65 PolarHBondContact O-CD2 3.04Å; R62-H65 PolarHBondContact O-N 3.36Å; W63-H65 VanDerWaalsContact C-N 3.31Å; H65-G67 PolarHBondContact O-N 2.82Å
66A66.1Low64Low63 Ų6384.3 Ų84.352%0.52145%0.45SS..THydrogen-bonded Turntrans-74.8-5.2176.800000113.9R62 W63 Q68R62-A66 PolarHBondContact O-N 2.06Å; W63-A66 CarbonylContact O-C 3.59Å; W63-A66 PolarHBondContact O-N 3.31Å; A66-Q68 HydrophobicContact CB-CG 4.3Å; A66-Q68 PolarHBondContact O-N 2.92Å; A66-Q68 VanDerWaalsContact O-N 3.14Å
67G61.4Low63.3Low65 Ų6584.2 Ų84.267%0.6745%0.454SS*.THydrogen-bonded Turntrans63.314-173.900000113.8W63 T64 H65 T69W63-G67 PolarHBondContact O-N 3.37Å; W63-G67 VanDerWaalsContact O-N 3.12Å; T64-G67 PolarHBondContact O-N 3.38Å; H65-G67 PolarHBondContact O-N 2.82Å; G67-T69 PolarHBondContact O-N 2.71Å
68Q53.8Low62.6Low121 Ų12187.4 Ų87.457%0.56547%0.468SS*.  trans-92.2107.1179.4-66.1-165.6-84.700108.5W63 A66 L70W63-Q68 HydrophobicContact CE3-CB 4.03Å; W63-Q68 PolarHBondContact O-N 3.39Å; W63-Q68 VanDerWaalsContact O-N 3.08Å; A66-Q68 HydrophobicContact CB-CG 4.3Å; A66-Q68 PolarHBondContact O-N 2.92Å; A66-Q68 VanDerWaalsContact O-N 3.14Å; Q68-L70 PolarHBondContact O-N 3.12Å
69T52Low61.9Low121 Ų12188.5 Ų88.574%0.74248%0.479SS*.  trans-43.9113-170.946.90000114.1G67G67-T69 PolarHBondContact O-N 2.71Å
70L61.7Low61.2Low24 Ų2481.9 Ų81.913%0.12646%0.455CS..  trans-73.2163.4141.8-68.6170.3000108.6A60 T64 Q68 I72 F80A60-L70 HydrophobicContact CB-CD1 3.62Å; A60-L70 HydrophobicContact CB-CD2 4.13Å; A60-L70 VanDerWaalsContact O-CD1 3.31Å; A60-L70 WeakPolarHBondContact O-CD1 3.39Å; T64-L70 HydrophobicContact CG2-CD1 4.11Å; Q68-L70 PolarHBondContact O-N 3.12Å; L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 HydrophobicContact CB-CG1 4.44Å; L70-I72 WeakPolarHBondContact O-CG1 3.41Å; L70-I72 PolarHBondContact O-N 2.99Å; L70-F80 WeakPolarHBondContact CB-O 3.35Å
71Y59.4Low60.5Low126 Ų12684.2 Ų84.249%0.49447%0.47SS..EExtended strand (participates in β ladder)trans-68.598.2168-72.4-83.5000106.9F80 S83 L86Y71-F80 PolarHBondContact N-O 3.32Å; Y71-F80 WeakPolarHBondContact O-CD2 2.93Å; Y71-F80 PolarHBondContact O-N 3.18Å; Y71-S83 VanDerWaalsContact CZ-CB 3.46Å; Y71-L86 HydrophobicContact CD1-CD2 4.02Å; Y71-L86 HydrophobicContact CG-CD2 4.3Å
72I54.2Low59.7Low82 Ų8289.8 Ų89.842%0.42150%0.496SS..EExtended strand (participates in β ladder)trans-97.3125.9-178.7-54.1159000107.2L70 S74 Q78L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 HydrophobicContact CB-CG1 4.44Å; L70-I72 WeakPolarHBondContact O-CG1 3.41Å; L70-I72 PolarHBondContact O-N 2.99Å; I72-S74 PolarHBondContact O-N 3.26Å; I72-Q78 WeakPolarHBondContact CA-O 3.31Å
73C56.7Low59Low13 Ų1384.9 Ų84.99%0.08849%0.486CS..  trans-69115.2169.9152.70000108.9E75 C76 G77 Q78 F80 L86 H89C73-E75 PolarHBondContact O-N 3.41Å; C73-C76 HydrophobicContact CB-CB 4.49Å; C73-C76 WeakPolarHBondContact CB-SG 3.42Å; C73-C76 PolarHBondContact O-N 3.24Å; C73-C76 WeakPolarHBondContact SG-CB 3.44Å; C73-C76 PolarHBondContact SG-N 2.98Å; C73-C76 CovalentContact SG-SG 2.06Å; C73-C76 PolarHBondContact SG-SG 3.38Å; C73-G77 WeakPolarHBondContact O-CA 3.45Å; C73-G77 PolarHBondContact O-N 3.19Å; C73-Q78 PolarHBondContact N-O 3.28Å; C73-F80 HydrophobicContact CB-CE2 4.07Å; C73-L86 HydrophobicContact CB-CD1 3.6Å; C73-H89 PolarHBondContact SG-NE2 3.08Å
74S54.7Low58.4Low130 Ų13081.4 Ų81.491%0.90949%0.489SS*.THydrogen-bonded Turntrans-65.6-22.2-179.6-67.40000113.6I72I72-S74 PolarHBondContact O-N 3.26Å
75E53.8Low58.1Low197 Ų19782.9 Ų82.992%0.92149%0.494SS*.THydrogen-bonded Turntrans-81.8-26.6-179.5-66.1-121.397.900113C73C73-E75 PolarHBondContact O-N 3.41Å
76C54.9Low57.8Low61 Ų6181.2 Ų81.241%0.41249%0.487SS..THydrogen-bonded Turntrans-130.9-10-166.1660000113.9C73 Q78 H89C73-C76 HydrophobicContact CB-CB 4.49Å; C73-C76 WeakPolarHBondContact CB-SG 3.42Å; C73-C76 PolarHBondContact O-N 3.24Å; C73-C76 WeakPolarHBondContact SG-CB 3.44Å; C73-C76 PolarHBondContact SG-N 2.98Å; C73-C76 CovalentContact SG-SG 2.06Å; C73-C76 PolarHBondContact SG-SG 3.38Å; C76-Q78 PolarHBondContact O-N 3.43Å; C76-Q78 VanDerWaalsContact O-N 3.16Å; C76-H89 PolarHBondContact SG-NE2 3.21Å
77G55.7Low57.5Low58 Ų5885.4 Ų85.460%0.59850%0.501SS*.  trans68.47.2178.900000114.7C73C73-G77 WeakPolarHBondContact O-CA 3.45Å; C73-G77 PolarHBondContact O-N 3.19Å
78Q55.2Low57.4Low109 Ų10989.7 Ų89.751%0.50951%0.508SS..  trans-75.8133.7177-78.4-171.1-31.400111.2I72 C73 C76 F80I72-Q78 WeakPolarHBondContact CA-O 3.31Å; C73-Q78 PolarHBondContact N-O 3.28Å; C76-Q78 PolarHBondContact O-N 3.43Å; C76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-F80 HydrophobicContact CB-CE2 3.86Å; Q78-F80 HydrophobicContact CB-CZ 4Å
79S60.8Low57.8Low56 Ų5690 Ų9039%0.39251%0.509SS..EExtended strand (participates in β ladder)trans-98.1123.3179.961.80000111.6
80F60.2Low58.1Low35 Ų3588.5 Ų88.515%0.15450%0.497CS..EExtended strand (participates in β ladder)trans-108.2140.8-179-61.7-87.4000112.7L70 Y71 C73 Q78 H82 L85 L86 H89L70-F80 WeakPolarHBondContact CB-O 3.35Å; Y71-F80 PolarHBondContact N-O 3.32Å; Y71-F80 WeakPolarHBondContact O-CD2 2.93Å; Y71-F80 PolarHBondContact O-N 3.18Å; C73-F80 HydrophobicContact CB-CE2 4.07Å; Q78-F80 HydrophobicContact CB-CE2 3.86Å; Q78-F80 HydrophobicContact CB-CZ 4Å; F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 3.28Å; F80-L85 HydrophobicContact CB-CB 4.28Å; F80-L85 HydrophobicContact CD1-CB 3.89Å; F80-L85 HydrophobicContact CG-CB 4.39Å; F80-L86 HydrophobicContact CB-CB 4.46Å; F80-L86 HydrophobicContact CD2-CB 4.14Å; F80-L86 HydrophobicContact CD2-CD1 3.78Å; F80-L86 HydrophobicContact CE2-CD1 3.93Å; F80-L86 HydrophobicContact CG-CB 4.43Å; F80-H89 HydrophobicContact CE1-CB 4.39Å; F80-H89 HydrophobicContact CE2-CB 4.23Å; F80-H89 AromaticContact CE2-CD2 3.98Å; F80-H89 AromaticContact CE2-CG 3.93Å; F80-H89 HydrophobicContact CZ-CB 3.84Å; F80-H89 AromaticContact CZ-CD2 3.91Å; F80-H89 AromaticContact CZ-CG 3.48Å; F80-H89 VanDerWaalsContact CZ-CG 3.48Å; F80-H89 AromaticContact CZ-ND1 3.63Å
81S56.4Low57.9Low62 Ų6291.8 Ų91.843%0.43452%0.517SS..SBendtrans-76.1-13.7-178.2-33.40000114.3
82H57.3Low57.9Low134 Ų13489.9 Ų89.962%0.6252%0.518SS*.SBendtrans-144.3144.5-178.3-91.2-92.4000110F80 G84 L85F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 3.28Å; H82-G84 VanDerWaalsContact C-N 3.32Å; H82-G84 PolarHBondContact O-N 3.29Å; H82-L85 HydrophobicContact CB-CD1 4.43Å; H82-L85 PolarHBondContact O-N 3.48Å
83S56.3Low58.1Low59 Ų5990.4 Ų90.441%0.41352%0.524SS..Hα-helixtrans-56.5-43176.5490000112.9Y71 L85 L86 D87Y71-S83 VanDerWaalsContact CZ-CB 3.46Å; S83-L85 PolarHBondContact O-N 3.12Å; S83-L86 WeakPolarHBondContact O-CB 3.49Å; S83-L86 PolarHBondContact O-N 2.94Å; S83-D87 PolarHBondContact O-N 3.45Å
84G59.8Low58.2Low50 Ų5095.3 Ų95.352%0.51555%0.551SS.*Hα-helixtrans-66.4-17.6-178.600000114.8H82H82-G84 VanDerWaalsContact C-N 3.32Å; H82-G84 PolarHBondContact O-N 3.29Å
85L61Low58.4Low95 Ų9592.9 Ų92.950%0.49753%0.527SS..Hα-helixtrans-84.2-25.4172.1-76.8168.8000112.3F80 H82 S83 H89F80-L85 HydrophobicContact CB-CB 4.28Å; F80-L85 HydrophobicContact CD1-CB 3.89Å; F80-L85 HydrophobicContact CG-CB 4.39Å; H82-L85 HydrophobicContact CB-CD1 4.43Å; H82-L85 PolarHBondContact O-N 3.48Å; S83-L85 PolarHBondContact O-N 3.12Å; L85-H89 WeakPolarHBondContact O-CB 3.42Å
86L62.9Low58.7Low44 Ų4485.5 Ų85.523%0.2350%0.499CS..Hα-helixtrans-75.9-39.3169.3178.569.4000110.7Y71 C73 F80 S83 L88 H89Y71-L86 HydrophobicContact CD1-CD2 4.02Å; Y71-L86 HydrophobicContact CG-CD2 4.3Å; C73-L86 HydrophobicContact CB-CD1 3.6Å; F80-L86 HydrophobicContact CB-CB 4.46Å; F80-L86 HydrophobicContact CD2-CB 4.14Å; F80-L86 HydrophobicContact CD2-CD1 3.78Å; F80-L86 HydrophobicContact CE2-CD1 3.93Å; F80-L86 HydrophobicContact CG-CB 4.43Å; S83-L86 WeakPolarHBondContact O-CB 3.49Å; S83-L86 PolarHBondContact O-N 2.94Å; L86-L88 PolarHBondContact O-N 2.95Å; L86-H89 WeakPolarHBondContact O-CB 3.46Å; L86-H89 PolarHBondContact O-N 3.14Å; L86-H89 VanDerWaalsContact O-N 3.12Å
87D58.2Low59Low152 Ų15287.4 Ų87.481%0.81351%0.506SS*.Hα-helixtrans-66.3-27.3-177.9-158.2-108.6000113.1S83S83-D87 PolarHBondContact O-N 3.45Å
88L61.1Low59.3Low154 Ų15489.8 Ų89.881%0.80650%0.498SS*.THydrogen-bonded Turntrans-88.7-10.2175.9-168.367000113.2L86L86-L88 PolarHBondContact O-N 2.95Å
89H62.2Low59.7Low128 Ų12888.1 Ų88.159%0.59350%0.497SS*.  trans-86.70-175.6175.671000111.4C73 C76 F80 L85 L86C73-H89 PolarHBondContact SG-NE2 3.08Å; C76-H89 PolarHBondContact SG-NE2 3.21Å; F80-H89 HydrophobicContact CE1-CB 4.39Å; F80-H89 HydrophobicContact CE2-CB 4.23Å; F80-H89 AromaticContact CE2-CD2 3.98Å; F80-H89 AromaticContact CE2-CG 3.93Å; F80-H89 HydrophobicContact CZ-CB 3.84Å; F80-H89 AromaticContact CZ-CD2 3.91Å; F80-H89 AromaticContact CZ-CG 3.48Å; F80-H89 VanDerWaalsContact CZ-CG 3.48Å; F80-H89 AromaticContact CZ-ND1 3.63Å; L85-H89 WeakPolarHBondContact O-CB 3.42Å; L86-H89 WeakPolarHBondContact O-CB 3.46Å; L86-H89 PolarHBondContact O-N 3.14Å; L86-H89 VanDerWaalsContact O-N 3.12Å

Retrieved 89 of 89 residues in 375.5 ms (Link to these results)