A0A087WQP6_MOUSE Loading...

RIKEN cDNA 1700017N19 gene

AlphaFold DB , UniProt , Accession A0A087WQP6, Species MOUSE (Mus musculus, Mouse), Gene 1700017N19Rik, Length 101 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
1M46.9Very low74.4Confident227 Ų22774.6 Ų74.6100%1.11839%0.394SS*.  0149.10-67.684.717000108.7E3M1-E3 PolarHBondContact O-N 3.02Å
2A48.7Very low74.8Confident56 Ų5670.6 Ų70.646%0.46337%0.374SS..  trans-70.7114.8167.300000107.5F24A2-F24 HydrophobicContact CB-CD1 4.37Å; A2-F24 HydrophobicContact CB-CE1 3.57Å; A2-F24 HydrophobicContact CB-CE2 4.46Å; A2-F24 HydrophobicContact CB-CZ 3.63Å
3E65.7Low74.9Confident81 Ų8168.6 Ų68.638%0.37936%0.364SS..  trans-83.6134.6-178.4-42.3176.6125.500108.2M1 G5 N6 R43M1-E3 PolarHBondContact O-N 3.02Å; E3-G5 PolarHBondContact O-N 3.44Å; E3-N6 WeakPolarHBondContact CB-ND2 3.27Å; E3-N6 WeakPolarHBondContact O-CB 3.42Å; E3-N6 PolarHBondContact O-N 3.35Å; E3-N6 PolarHBondContact OE2-ND2 3.26Å; E3-R43 IonicContact OE1-CZ 3.38Å; E3-R43 IonicContact OE1-NH1 3.3Å; E3-R43 PolarHBondContact OE1-NH1 3.35Å; E3-R43 IonicContact OE1-NH2 3.75Å; E3-R43 PolarHBondContact OE1-NH2 2.89Å; E3-R43 IonicContact OE2-CZ 3.85Å; E3-R43 IonicContact OE2-NH1 2.73Å; E3-R43 PolarHBondContact OE2-NH1 2.75Å; E3-R43 IonicContact OE2-NH2 2.65Å; E3-R43 PolarHBondContact OE2-NH2 3.02Å; E3-R43 VanDerWaalsContact OE2-NH2 3.11Å
4V68.9Low75.2Confident126 Ų12669 Ų6976%0.76438%0.375SS*.THydrogen-bonded Turntrans-52.7130-179.6142.40000109.8L46V4-L46 HydrophobicContact CG1-CD2 4.38Å
5G76.5Confident75.7Confident28 Ų2872.9 Ų72.929%0.28940%0.402SS..THydrogen-bonded Turntrans85-217600000115.9E3 H54E3-G5 PolarHBondContact O-N 3.44Å; G5-H54 WeakPolarHBondContact O-CB 3.09Å; G5-H54 PolarHBondContact O-ND1 3.46Å
6N85.9Confident76.4Confident26 Ų2669.4 Ų69.414%0.13938%0.384CS..  trans-68.3141175.6-74.31.3000111.8E3 F24 R25 W40 H54E3-N6 WeakPolarHBondContact CB-ND2 3.27Å; E3-N6 WeakPolarHBondContact O-CB 3.42Å; E3-N6 PolarHBondContact O-N 3.35Å; E3-N6 PolarHBondContact OE2-ND2 3.26Å; N6-F24 HydrophobicContact CB-CD1 4.31Å; N6-R25 WeakPolarHBondContact O-CB 3.41Å; N6-R25 PolarHBondContact O-N 3.03Å; N6-W40 PolarHBondContact OD1-NE1 3.27Å; N6-H54 WeakPolarHBondContact CA-O 3.38Å
7D86.8Confident77Confident6 Ų675.1 Ų75.13%0.03241%0.411CS..BIsolated β-bridgetrans-65.8142.7174.4-74.1-29.4000111.4Y9 V12 R25 R53 H54 M55D7-Y9 PolarHBondContact O-N 3.37Å; D7-Y9 VanDerWaalsContact O-N 3.14Å; D7-V12 HydrophobicContact CB-CG2 3.86Å; D7-R25 IonicContact OD1-CZ 2.81Å; D7-R25 IonicContact OD1-NE 3.41Å; D7-R25 PolarHBondContact OD1-NE 3.35Å; D7-R25 IonicContact OD1-NH2 3.42Å; D7-R25 PolarHBondContact OD1-NH2 3.29Å; D7-R25 IonicContact OD2-NH2 2.73Å; D7-R25 PolarHBondContact OD2-NH2 2.99Å; D7-R53 WeakPolarHBondContact OD2-CA 3.48Å; D7-R53 WeakPolarHBondContact OD2-CG 3.45Å; D7-H54 PolarHBondContact N-O 3.26Å; D7-H54 PolarHBondContact OD2-N 2.81Å; D7-M55 HydrophobicContact CB-CB 4.2Å
8C87.5Confident77.5Confident3 Ų378.3 Ų78.32%0.0242%0.421CS..  trans-69.3114.1171-177.50000109.2F10 F11 V12 C16 F24 R25 H26C8-F10 PolarHBondContact O-N 3.31Å; C8-F11 HydrophobicContact CB-CB 3.64Å; C8-F11 PolarHBondContact O-N 3.44Å; C8-F11 VanDerWaalsContact O-N 3.08Å; C8-F11 PolarHBondContact SG-N 2.83Å; C8-V12 WeakPolarHBondContact O-CG2 3.29Å; C8-V12 PolarHBondContact O-N 3.23Å; C8-C16 VanDerWaalsContact SG-SG 3.62Å; C8-F24 VanDerWaalsContact CA-CB 3.48Å; C8-F24 HydrophobicContact CB-CB 3.56Å; C8-R25 PolarHBondContact N-O 3.5Å; C8-H26 WeakPolarHBondContact CB-CD2 3.49Å; C8-H26 VanDerWaalsContact CB-NE2 3.33Å; C8-H26 WeakPolarHBondContact CB-NE2 3.49Å; C8-H26 PolarHBondContact SG-NE2 3.38Å
9Y83.1Confident77.8Confident98 Ų9876.1 Ų76.138%0.38442%0.419SS..Hα-helixtrans-50.2-46.2175.2178.9-93000112.2D7 V12 N13 M55 S78D7-Y9 PolarHBondContact O-N 3.37Å; D7-Y9 VanDerWaalsContact O-N 3.14Å; Y9-V12 PolarHBondContact O-N 3.07Å; Y9-N13 WeakPolarHBondContact O-CB 3.42Å; Y9-N13 PolarHBondContact O-N 3.26Å; Y9-N13 PolarHBondContact O-ND2 3.29Å; Y9-M55 HydrophobicContact CD2-CE 4.07Å; Y9-M55 HydrophobicContact CD2-SD 3.76Å; Y9-M55 HydrophobicContact CG-SD 4.44Å; Y9-S78 WeakPolarHBondContact OH-CB 3.3Å
10F84.3Confident78Confident124 Ų12478.8 Ų78.854%0.54444%0.443SS..Hα-helixtrans-67.9-38.8-179.6-67.9-74.6000112.2C8 S14 C16C8-F10 PolarHBondContact O-N 3.31Å; F10-S14 CarbonylContact O-C 3.09Å; F10-S14 WeakPolarHBondContact O-CA 3.25Å; F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 3.44Å; F10-C16 HydrophobicContact CB-CB 4.15Å
11F83.9Confident78.3Confident46 Ų4682.9 Ų82.920%0.20246%0.459CS..Hα-helixtrans-65.6-42.1176.9-174.8-103.6000111.7C8 N13 C16 H26 E28 L31C8-F11 HydrophobicContact CB-CB 3.64Å; C8-F11 PolarHBondContact O-N 3.44Å; C8-F11 VanDerWaalsContact O-N 3.08Å; C8-F11 PolarHBondContact SG-N 2.83Å; F11-N13 PolarHBondContact O-N 3.27Å; F11-C16 HydrophobicContact CB-CB 4.12Å; F11-H26 VanDerWaalsContact CB-CD2 3.4Å; F11-H26 WeakPolarHBondContact CB-CD2 3.43Å; F11-H26 HydrophobicContact CD1-CB 3.83Å; F11-H26 HydrophobicContact CD2-CB 3.88Å; F11-H26 AromaticContact CD2-CD2 3.86Å; F11-H26 AromaticContact CD2-CG 3.57Å; F11-H26 AromaticContact CD2-ND1 3.75Å; F11-H26 HydrophobicContact CE1-CB 3.78Å; F11-H26 HydrophobicContact CE2-CB 3.85Å; F11-H26 AromaticContact CE2-CG 3.99Å; F11-H26 HydrophobicContact CG-CB 3.87Å; F11-H26 AromaticContact CG-CD2 3.52Å; F11-H26 AromaticContact CG-CG 3.6Å; F11-H26 HydrophobicContact CZ-CB 3.8Å; F11-E28 HydrophobicContact CZ-CG 4.01Å; F11-L31 HydrophobicContact CD1-CD1 3.67Å; F11-L31 HydrophobicContact CE1-CD1 3.5Å; F11-L31 HydrophobicContact CG-CD1 4.46Å; F11-L31 HydrophobicContact CZ-CD1 4.18Å; F11-L31 WeakPolarHBondContact O-CD1 3.48Å
12V79.9Confident80.2Confident26 Ų2673 Ų7316%0.15841%0.412CS..Hα-helixtrans-68.8-33.7-179.91740000112.4D7 C8 Y9 M55D7-V12 HydrophobicContact CB-CG2 3.86Å; C8-V12 WeakPolarHBondContact O-CG2 3.29Å; C8-V12 PolarHBondContact O-N 3.23Å; Y9-V12 PolarHBondContact O-N 3.07Å; V12-M55 HydrophobicContact CB-CE 4.34Å; V12-M55 HydrophobicContact CG1-CE 4.18Å
13N75.7Confident81.9Confident45 Ų4581.3 Ų81.324%0.24143%0.431CS..Hα-helixtrans-108.2-14.7-172.9-66.2-96.2000114.2Y9 F11 S78Y9-N13 WeakPolarHBondContact O-CB 3.42Å; Y9-N13 PolarHBondContact O-N 3.26Å; Y9-N13 PolarHBondContact O-ND2 3.29Å; F11-N13 PolarHBondContact O-N 3.27Å; N13-S78 WeakPolarHBondContact OD1-CB 3.4Å; N13-S78 PolarHBondContact OD1-OG 3.41Å
14S79.1Confident83Confident74 Ų7481.3 Ų81.352%0.51743%0.43SS..SBendtrans-166-162.3-166.8-65.90000111.4F10F10-S14 CarbonylContact O-C 3.09Å; F10-S14 WeakPolarHBondContact O-CA 3.25Å; F10-S14 WeakPolarHBondContact O-CB 3.45Å; F10-S14 PolarHBondContact O-N 3.44Å
15T82.1Confident83.8Confident127 Ų12776.5 Ų76.578%0.77940%0.398SS*.  trans-90.8119.3172.2-51.90000110.8I17T15-I17 PolarHBondContact O-N 3.23Å
16C87Confident84.4Confident17 Ų1778.1 Ų78.112%0.11540%0.398CS..  trans-78.9111.4172.4-175.80000111.1C8 F10 F11 K18 G19 C22 H26C8-C16 VanDerWaalsContact SG-SG 3.62Å; F10-C16 HydrophobicContact CB-CB 4.15Å; F11-C16 HydrophobicContact CB-CB 4.12Å; C16-K18 PolarHBondContact O-N 3.28Å; C16-G19 PolarHBondContact O-N 3.3Å; C16-C22 VanDerWaalsContact SG-SG 3.7Å; C16-H26 PolarHBondContact SG-CE1 3.3Å; C16-H26 PolarHBondContact SG-NE2 3.35Å; C16-H26 VanDerWaalsContact SG-NE2 3.36Å
17I87.8Confident84.2Confident166 Ų16677.3 Ų77.385%0.85139%0.394SS*.THydrogen-bonded Turntrans-71-13.717962.9170.8000114.1T15 G19T15-I17 PolarHBondContact O-N 3.23Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.5Å
18K85.6Confident83.8Confident133 Ų13384.7 Ų84.758%0.57843%0.429SS*.THydrogen-bonded Turntrans-78.7-13.3-179.6-61-168.7177.7-153.30112.8C16 S20 Q21 C22C16-K18 PolarHBondContact O-N 3.28Å; K18-S20 PolarHBondContact O-N 2.8Å; K18-Q21 WeakPolarHBondContact O-CA 3.17Å; K18-Q21 WeakPolarHBondContact O-CB 3.36Å; K18-Q21 PolarHBondContact O-N 3.48Å; K18-C22 HydrophobicContact CB-CB 3.88Å; K18-C22 PolarHBondContact O-N 2.88Å
19G82.8Confident83.2Confident37 Ų3791.5 Ų91.538%0.38146%0.46SS..G310 helixtrans49-128.3178.500000112.5C16 I17 Q21 C22 H26C16-G19 PolarHBondContact O-N 3.3Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.5Å; G19-Q21 VanDerWaalsContact C-N 3.26Å; G19-Q21 PolarHBondContact O-N 2.73Å; G19-C22 VanDerWaalsContact O-CB 3.29Å; G19-C22 WeakPolarHBondContact O-CB 3.42Å; G19-C22 PolarHBondContact O-N 2.86Å; G19-H26 PolarHBondContact O-CE1 3.21Å
20S81.6Confident82.5Confident130 Ų13086.8 Ų86.891%0.90944%0.442SS*.G310 helixtrans-69.5-16178.554.40000114.7K18 C22K18-S20 PolarHBondContact O-N 2.8Å; S20-C22 VanDerWaalsContact C-N 3.28Å
21Q85.4Confident81.8Confident164 Ų16485.1 Ų85.177%0.76644%0.438SS*.G310 helixtrans-86.91.2174.9-61.3-172.2-16.200112.6K18 G19 R23K18-Q21 WeakPolarHBondContact O-CA 3.17Å; K18-Q21 WeakPolarHBondContact O-CB 3.36Å; K18-Q21 PolarHBondContact O-N 3.48Å; G19-Q21 VanDerWaalsContact C-N 3.26Å; G19-Q21 PolarHBondContact O-N 2.73Å; Q21-R23 PolarHBondContact O-N 2.74Å
22C86.1Confident80.7Confident20 Ų2086.4 Ų86.414%0.13546%0.464CS..  trans-65.9125.5175.9-163.50000110.2C16 K18 G19 S20 F24 H26C16-C22 VanDerWaalsContact SG-SG 3.7Å; K18-C22 HydrophobicContact CB-CB 3.88Å; K18-C22 PolarHBondContact O-N 2.88Å; G19-C22 VanDerWaalsContact O-CB 3.29Å; G19-C22 WeakPolarHBondContact O-CB 3.42Å; G19-C22 PolarHBondContact O-N 2.86Å; S20-C22 VanDerWaalsContact C-N 3.28Å; C22-F24 PolarHBondContact O-N 2.97Å; C22-H26 WeakPolarHBondContact CB-CE1 3.44Å; C22-H26 VanDerWaalsContact CB-NE2 3.34Å; C22-H26 WeakPolarHBondContact CB-NE2 3.36Å; C22-H26 PolarHBondContact SG-NE2 3.43Å
23R85.3Confident79.9Confident231 Ų23186.6 Ų86.687%0.87247%0.466SS*.SBendtrans-78.3-1.9178-57.717399.7136.11.7112.8Q21Q21-R23 PolarHBondContact O-N 2.74Å
24F87Confident79.6Confident81 Ų8190 Ų9036%0.35548%0.484SS..SBendtrans-109.4154-178.9-61-82.6000109.5A2 N6 C8 C22 H26A2-F24 HydrophobicContact CB-CD1 4.37Å; A2-F24 HydrophobicContact CB-CE1 3.57Å; A2-F24 HydrophobicContact CB-CE2 4.46Å; A2-F24 HydrophobicContact CB-CZ 3.63Å; N6-F24 HydrophobicContact CB-CD1 4.31Å; C8-F24 VanDerWaalsContact CA-CB 3.48Å; C8-F24 HydrophobicContact CB-CB 3.56Å; C22-F24 PolarHBondContact O-N 2.97Å; F24-H26 PolarHBondContact O-N 2.87Å
25R86.9Confident79.7Confident24 Ų2490.4 Ų90.49%0.09148%0.484CS..BIsolated β-bridgetrans-67.9130.4-175.4-167.6178.375.4147.66.1111.1N6 D7 C8 C27 D47 P48 C50 F52 H54N6-R25 WeakPolarHBondContact O-CB 3.41Å; N6-R25 PolarHBondContact O-N 3.03Å; D7-R25 IonicContact OD1-CZ 2.81Å; D7-R25 IonicContact OD1-NE 3.41Å; D7-R25 PolarHBondContact OD1-NE 3.35Å; D7-R25 IonicContact OD1-NH2 3.42Å; D7-R25 PolarHBondContact OD1-NH2 3.29Å; D7-R25 IonicContact OD2-NH2 2.73Å; D7-R25 PolarHBondContact OD2-NH2 2.99Å; C8-R25 PolarHBondContact N-O 3.5Å; R25-C27 HydrophobicContact CG-CB 4.32Å; R25-D47 PolarHBondContact NH1-O 2.99Å; R25-P48 WeakPolarHBondContact CD-O 3.38Å; R25-C50 PolarHBondContact NH1-O 3.47Å; R25-C50 PolarHBondContact NH2-O 2.96Å; R25-F52 PolarHBondContact NH2-O 3.18Å; R25-H54 PolarHBondContact NH1-CE1 2.84Å; R25-H54 VanDerWaalsContact NH1-CE1 3.31Å; R25-H54 PolarHBondContact NH1-ND1 2.71Å
26H87.9Confident79.9Confident63 Ų6385.7 Ų85.729%0.29246%0.455SS..  trans-111.891170.4-68.9178.5000107.9C8 F11 C16 G19 C22 F24C8-H26 WeakPolarHBondContact CB-CD2 3.49Å; C8-H26 VanDerWaalsContact CB-NE2 3.33Å; C8-H26 WeakPolarHBondContact CB-NE2 3.49Å; C8-H26 PolarHBondContact SG-NE2 3.38Å; F11-H26 VanDerWaalsContact CB-CD2 3.4Å; F11-H26 WeakPolarHBondContact CB-CD2 3.43Å; F11-H26 HydrophobicContact CD1-CB 3.83Å; F11-H26 HydrophobicContact CD2-CB 3.88Å; F11-H26 AromaticContact CD2-CD2 3.86Å; F11-H26 AromaticContact CD2-CG 3.57Å; F11-H26 AromaticContact CD2-ND1 3.75Å; F11-H26 HydrophobicContact CE1-CB 3.78Å; F11-H26 HydrophobicContact CE2-CB 3.85Å; F11-H26 AromaticContact CE2-CG 3.99Å; F11-H26 HydrophobicContact CG-CB 3.87Å; F11-H26 AromaticContact CG-CD2 3.52Å; F11-H26 AromaticContact CG-CG 3.6Å; F11-H26 HydrophobicContact CZ-CB 3.8Å; C16-H26 PolarHBondContact SG-CE1 3.3Å; C16-H26 PolarHBondContact SG-NE2 3.35Å; C16-H26 VanDerWaalsContact SG-NE2 3.36Å; G19-H26 PolarHBondContact O-CE1 3.21Å; C22-H26 WeakPolarHBondContact CB-CE1 3.44Å; C22-H26 VanDerWaalsContact CB-NE2 3.34Å; C22-H26 WeakPolarHBondContact CB-NE2 3.36Å; C22-H26 PolarHBondContact SG-NE2 3.43Å; F24-H26 PolarHBondContact O-N 2.87Å
27C82.6Confident80Confident9 Ų985.1 Ų85.16%0.06145%0.451CS..  trans-112.1113.9178.6-178.10000109.2R25 E29 A30 L31R25-C27 HydrophobicContact CG-CB 4.32Å; C27-E29 VanDerWaalsContact C-N 3.28Å; C27-E29 PolarHBondContact O-N 3.06Å; C27-A30 HydrophobicContact CB-CB 4.04Å; C27-A30 PolarHBondContact O-N 3.22Å; C27-L31 PolarHBondContact O-N 3.18Å
28E78.9Confident80Confident161 Ų16181.2 Ų81.275%0.75244%0.438SS*.G310 helixtrans-65.6-32.3179.5-65.5-176.4117.600111.9F11 A30 L31F11-E28 HydrophobicContact CZ-CG 4.01Å; E28-A30 VanDerWaalsContact C-N 3.25Å; E28-A30 PolarHBondContact O-N 3.2Å; E28-L31 WeakPolarHBondContact O-CB 3.45Å; E28-L31 PolarHBondContact O-N 3.43Å
29E73.6Confident80.2Confident145 Ų14579.3 Ų79.368%0.67843%0.434SS*.G310 helixtrans-69.4-24177.3-61.3-148.694.600113.2C27 L31 R51C27-E29 VanDerWaalsContact C-N 3.28Å; C27-E29 PolarHBondContact O-N 3.06Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-R51 HydrophobicContact CB-CB 4.24Å
30A69.7Low80.5Confident0 Ų078.5 Ų78.50%042%0.42CS..G310 helixtrans-83.2-11.7172.200000112.4C27 E28 G32 S33C27-A30 HydrophobicContact CB-CB 4.04Å; C27-A30 PolarHBondContact O-N 3.22Å; E28-A30 VanDerWaalsContact C-N 3.25Å; E28-A30 PolarHBondContact O-N 3.2Å; A30-G32 PolarHBondContact O-N 3.38Å; A30-S33 PolarHBondContact O-N 3.28Å
31L69.3Low80.8Confident89 Ų8979.1 Ų79.147%0.46640%0.402SS..THydrogen-bonded Turntrans-69.6113.5-179.4-141.396.1000109.2F11 C27 E28 E29F11-L31 HydrophobicContact CD1-CD1 3.67Å; F11-L31 HydrophobicContact CE1-CD1 3.5Å; F11-L31 HydrophobicContact CG-CD1 4.46Å; F11-L31 HydrophobicContact CZ-CD1 4.18Å; F11-L31 WeakPolarHBondContact O-CD1 3.48Å; C27-L31 PolarHBondContact O-N 3.18Å; E28-L31 WeakPolarHBondContact O-CB 3.45Å; E28-L31 PolarHBondContact O-N 3.43Å; E29-L31 VanDerWaalsContact C-N 3.32Å
32G59.7Low80.9Confident72 Ų7276.2 Ų76.274%0.74239%0.389SS*.THydrogen-bonded Turntrans89.6-9-177.400000115.3A30 D34A30-G32 PolarHBondContact O-N 3.38Å; G32-D34 PolarHBondContact O-N 3.03Å
33S64.3Low80.9Confident30 Ų3082.1 Ų82.121%0.2141%0.408CS..  trans-72114.4168.8-177.30000109.4A30 T35 R53A30-S33 PolarHBondContact O-N 3.28Å; S33-T35 PolarHBondContact O-N 2.76Å; S33-R53 PolarHBondContact O-NE 3.3Å; S33-R53 PolarHBondContact O-NH2 2.88Å
34D68.9Low81Confident116 Ų11677.7 Ų77.762%0.6240%0.395SS*.  trans-79-8.6175.3-158.5-121.5000112.8G32 V36 R53G32-D34 PolarHBondContact O-N 3.03Å; D34-V36 PolarHBondContact O-N 3.25Å; D34-R53 IonicContact OD2-CZ 2.8Å; D34-R53 IonicContact OD2-NH1 3.99Å; D34-R53 PolarHBondContact OD2-NH1 3.42Å; D34-R53 IonicContact OD2-NH2 3.18Å
35T80.2Confident81Confident83 Ų8374.6 Ų74.651%0.50938%0.383SS..  trans-84.2116.1-178.2-52.20000111S33 F52 R53S33-T35 PolarHBondContact O-N 2.76Å; T35-F52 HydrophobicContact CG2-CD1 3.96Å; T35-F52 HydrophobicContact CG2-CE1 4.19Å; T35-R53 PolarHBondContact O-N 2.87Å
36V86.6Confident80.8Confident28 Ų2880.1 Ų80.117%0.1741%0.414CS..BIsolated β-bridgetrans-71.8134.1171.4-179.50000109.7D34 S38 W40 R53D34-V36 PolarHBondContact O-N 3.25Å; V36-S38 PolarHBondContact O-N 3.4Å; V36-W40 HydrophobicContact CG1-CE3 3.57Å; V36-W40 HydrophobicContact CG1-CZ3 3.46Å; V36-W40 VanDerWaalsContact CG1-CZ3 3.46Å; V36-R53 CarbonylContact C-O 3.6Å; V36-R53 WeakPolarHBondContact CA-O 3.39Å
37C89.3Confident80.7Confident6 Ų681 Ų814%0.04142%0.42CS..  trans-64.1114.4175.8178.40000110.5L39 W40 R41 F52 R53 H54C37-L39 VanDerWaalsContact C-N 3.3Å; C37-L39 PolarHBondContact O-N 3.44Å; C37-W40 HydrophobicContact CB-CB 3.63Å; C37-W40 WeakPolarHBondContact O-CB 3.14Å; C37-W40 PolarHBondContact O-N 3.36Å; C37-W40 PolarHBondContact SG-N 3.08Å; C37-R41 PolarHBondContact O-N 3.47Å; C37-F52 HydrophobicContact CB-CB 3.53Å; C37-R53 PolarHBondContact N-O 2.78Å; C37-H54 VanDerWaalsContact CB-CD2 3.41Å; C37-H54 WeakPolarHBondContact CB-CD2 3.35Å
38S89.1Confident80.4Confident83 Ų8384.7 Ų84.758%0.5845%0.445SS*.Hα-helixtrans-60.7-40178.1-57.90000112.2V36 W40 R41 E42V36-S38 PolarHBondContact O-N 3.4Å; S38-W40 VanDerWaalsContact C-N 3.33Å; S38-W40 PolarHBondContact O-N 3.38Å; S38-R41 WeakPolarHBondContact O-CB 3.35Å; S38-R41 PolarHBondContact O-N 3.36Å; S38-E42 WeakPolarHBondContact O-CG 3.34Å; S38-E42 PolarHBondContact O-N 2.73Å; S38-E42 VanDerWaalsContact O-N 3.08Å
39L89.6Confident80.6Confident93 Ų9383.1 Ų83.149%0.48744%0.441SS..Hα-helixtrans-66.4-34177.7-65.3176.2000112.2C37 E42 R43 K44 C45C37-L39 VanDerWaalsContact C-N 3.3Å; C37-L39 PolarHBondContact O-N 3.44Å; L39-E42 CarbonylContact O-C 3.56Å; L39-E42 PolarHBondContact O-N 2.93Å; L39-R43 PolarHBondContact O-N 3.5Å; L39-K44 HydrophobicContact CB-CB 4.45Å; L39-K44 HydrophobicContact CD2-CB 4.44Å; L39-K44 WeakPolarHBondContact O-CA 3.44Å; L39-K44 PolarHBondContact O-N 3.08Å; L39-C45 HydrophobicContact CB-CB 3.76Å; L39-C45 PolarHBondContact O-N 3.23Å
40W89.4Confident81.2Confident21 Ų2176.8 Ų76.88%0.0841%0.412CS..Hα-helixtrans-67.4-42.2173.6165.180.7000111.1N6 V36 C37 S38 E42 R43 C45 H54 M55 E56N6-W40 PolarHBondContact OD1-NE1 3.27Å; V36-W40 HydrophobicContact CG1-CE3 3.57Å; V36-W40 HydrophobicContact CG1-CZ3 3.46Å; V36-W40 VanDerWaalsContact CG1-CZ3 3.46Å; C37-W40 HydrophobicContact CB-CB 3.63Å; C37-W40 WeakPolarHBondContact O-CB 3.14Å; C37-W40 PolarHBondContact O-N 3.36Å; C37-W40 PolarHBondContact SG-N 3.08Å; S38-W40 VanDerWaalsContact C-N 3.33Å; S38-W40 PolarHBondContact O-N 3.38Å; W40-E42 PolarHBondContact O-N 3.44Å; W40-R43 WeakPolarHBondContact O-CA 3.33Å; W40-R43 PolarHBondContact O-N 3.31Å; W40-C45 HydrophobicContact CB-CB 3.92Å; W40-H54 AromaticContact CD1-CG 3.44Å; W40-H54 VanDerWaalsContact CD1-CG 3.44Å; W40-H54 AromaticContact CD1-ND1 3.6Å; W40-H54 VanDerWaalsContact CD2-CA 3.49Å; W40-H54 HydrophobicContact CD2-CB 3.97Å; W40-H54 HydrophobicContact CG-CB 3.75Å; W40-H54 AromaticContact CG-CD2 3.72Å; W40-H54 AromaticContact CG-CG 3.55Å; W40-H54 WeakPolarHBondContact CZ2-O 3.49Å; W40-M55 VanDerWaalsContact CH2-CA 3.4Å; W40-E56 HydrophobicContact CH2-CG 3.72Å; W40-E56 HydrophobicContact CZ3-CG 3.79Å
41R86.1Confident81.9Confident143 Ų14384.6 Ų84.654%0.5444%0.442SS..Hα-helixtrans-58.9-34.3175.5-173.8-179.2-81159.8-2.9111.6C37 S38 R43 E56C37-R41 PolarHBondContact O-N 3.47Å; S38-R41 WeakPolarHBondContact O-CB 3.35Å; S38-R41 PolarHBondContact O-N 3.36Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.22Å; R41-E56 IonicContact CZ-OE1 2.79Å; R41-E56 VanDerWaalsContact CZ-OE1 3.27Å; R41-E56 IonicContact NE-OE1 3.11Å; R41-E56 PolarHBondContact NE-OE1 2.97Å; R41-E56 IonicContact NH2-OE1 2.97Å; R41-E56 PolarHBondContact NH2-OE1 3.49Å
42E89Confident82.7Confident103 Ų10384.2 Ų84.248%0.48144%0.437SS..THydrogen-bonded Turntrans-82.22.8173.1-65.5-179.186.200114.6S38 L39 W40 K44S38-E42 WeakPolarHBondContact O-CG 3.34Å; S38-E42 PolarHBondContact O-N 2.73Å; S38-E42 VanDerWaalsContact O-N 3.08Å; L39-E42 CarbonylContact O-C 3.56Å; L39-E42 PolarHBondContact O-N 2.93Å; W40-E42 PolarHBondContact O-N 3.44Å; E42-K44 HydrophobicContact CB-CD 3.94Å; E42-K44 HydrophobicContact CB-CG 4.11Å; E42-K44 PolarHBondContact O-N 3.47Å; E42-K44 IonicContact OE1-NZ 3.27Å; E42-K44 PolarHBondContact OE1-NZ 3.3Å
43R85.3Confident83.9Confident144 Ų14481.7 Ų81.754%0.54341%0.405SS..THydrogen-bonded Turntrans60.322.5-173.7-54.5-66.6-169.4174.11.5115E3 L39 W40 R41E3-R43 IonicContact OE1-CZ 3.38Å; E3-R43 IonicContact OE1-NH1 3.3Å; E3-R43 PolarHBondContact OE1-NH1 3.35Å; E3-R43 IonicContact OE1-NH2 3.75Å; E3-R43 PolarHBondContact OE1-NH2 2.89Å; E3-R43 IonicContact OE2-CZ 3.85Å; E3-R43 IonicContact OE2-NH1 2.73Å; E3-R43 PolarHBondContact OE2-NH1 2.75Å; E3-R43 IonicContact OE2-NH2 2.65Å; E3-R43 PolarHBondContact OE2-NH2 3.02Å; E3-R43 VanDerWaalsContact OE2-NH2 3.11Å; L39-R43 PolarHBondContact O-N 3.5Å; W40-R43 WeakPolarHBondContact O-CA 3.33Å; W40-R43 PolarHBondContact O-N 3.31Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.22Å
44K88.4Confident85.1Confident138 Ų13880.3 Ų80.360%0.640%0.395SS*.  trans-99.2-18179.6-65.8172-175.4166.20113.3L39 E42L39-K44 HydrophobicContact CB-CB 4.45Å; L39-K44 HydrophobicContact CD2-CB 4.44Å; L39-K44 WeakPolarHBondContact O-CA 3.44Å; L39-K44 PolarHBondContact O-N 3.08Å; E42-K44 HydrophobicContact CB-CD 3.94Å; E42-K44 HydrophobicContact CB-CG 4.11Å; E42-K44 PolarHBondContact O-N 3.47Å; E42-K44 IonicContact OE1-NZ 3.27Å; E42-K44 PolarHBondContact OE1-NZ 3.3Å
45C87.1Confident85.6Confident16 Ų1676.2 Ų76.211%0.10837%0.372CS..  trans-87.6118.2177.2-163.90000111.1L39 W40 H54L39-C45 HydrophobicContact CB-CB 3.76Å; L39-C45 PolarHBondContact O-N 3.23Å; W40-C45 HydrophobicContact CB-CB 3.92Å; C45-H54 PolarHBondContact SG-CE1 3.47Å; C45-H54 PolarHBondContact SG-NE2 3.21Å; C45-H54 VanDerWaalsContact SG-NE2 3.41Å
46L81.8Confident85.5Confident139 Ų13977.5 Ų77.573%0.72837%0.373SS*.  trans-115.64.4174.7-59.9175000112.2V4 P48V4-L46 HydrophobicContact CG1-CD2 4.38Å; L46-P48 VanDerWaalsContact O-CD 3.27Å; L46-P48 WeakPolarHBondContact O-CD 3.3Å
47D84.9Confident84.6Confident81 Ų8181.9 Ų81.943%0.43339%0.392SS..  trans-74.6114.4-174.8178.613.4000111.1R25 L49 C50R25-D47 PolarHBondContact NH1-O 2.99Å; D47-L49 PolarHBondContact O-N 2.65Å; D47-L49 PolarHBondContact OD1-N 2.94Å; D47-C50 HydrophobicContact CB-CB 4.01Å; D47-C50 WeakPolarHBondContact O-CB 3.46Å; D47-C50 PolarHBondContact O-N 3.02Å; D47-C50 PolarHBondContact OD2-N 3.44Å
48P77.8Confident83.5Confident88 Ų8887.8 Ų87.857%0.57142%0.42SS*.THydrogen-bonded Turntrans-68.4-16.9178.129.9-35.4000113R25 L46R25-P48 WeakPolarHBondContact CD-O 3.38Å; L46-P48 VanDerWaalsContact O-CD 3.27Å; L46-P48 WeakPolarHBondContact O-CD 3.3Å
49L82.3Confident82.1Confident127 Ų12792 Ų9267%0.66543%0.43SS*.THydrogen-bonded Turntrans-103.711.1177.6-61.9177.5000112.8D47 R51D47-L49 PolarHBondContact O-N 2.65Å; D47-L49 PolarHBondContact OD1-N 2.94Å; L49-R51 PolarHBondContact O-N 2.85Å
50C86.3Confident80.9Confident12 Ų1290.4 Ų90.48%0.08142%0.422CS..  trans-60.9115.4178170.60000110.7R25 D47 F52 H54R25-C50 PolarHBondContact NH1-O 3.47Å; R25-C50 PolarHBondContact NH2-O 2.96Å; D47-C50 HydrophobicContact CB-CB 4.01Å; D47-C50 WeakPolarHBondContact O-CB 3.46Å; D47-C50 PolarHBondContact O-N 3.02Å; D47-C50 PolarHBondContact OD2-N 3.44Å; C50-F52 PolarHBondContact O-N 2.95Å; C50-F52 VanDerWaalsContact O-N 3.07Å; C50-H54 PolarHBondContact SG-NE2 3.14Å
51R85.2Confident79.8Confident164 Ų16491.6 Ų91.662%0.61943%0.433SS*.SBendtrans-60.3-10177.361.5-178.7152.3-175.2-7.9115.9E29 L49E29-R51 HydrophobicContact CB-CB 4.24Å; L49-R51 PolarHBondContact O-N 2.85Å
52F85.5Confident79.5Confident82 Ų8289.6 Ų89.636%0.3644%0.441SS..SBendtrans-95.2151.1177.6-62.2-71.3000110.6R25 T35 C37 C50 H54R25-F52 PolarHBondContact NH2-O 3.18Å; T35-F52 HydrophobicContact CG2-CD1 3.96Å; T35-F52 HydrophobicContact CG2-CE1 4.19Å; C37-F52 HydrophobicContact CB-CB 3.53Å; C50-F52 PolarHBondContact O-N 2.95Å; C50-F52 VanDerWaalsContact O-N 3.07Å; F52-H54 PolarHBondContact O-CD2 3.29Å; F52-H54 VanDerWaalsContact O-CD2 3.3Å; F52-H54 PolarHBondContact O-N 3.41Å
53R86.1Confident79.3Confident19 Ų1990.1 Ų90.17%0.07245%0.446CS..BIsolated β-bridgetrans-70.1130.5-175.9-168.7-176.1-68.8166.3-3111D7 S33 D34 T35 V36 C37 M55D7-R53 WeakPolarHBondContact OD2-CA 3.48Å; D7-R53 WeakPolarHBondContact OD2-CG 3.45Å; S33-R53 PolarHBondContact O-NE 3.3Å; S33-R53 PolarHBondContact O-NH2 2.88Å; D34-R53 IonicContact OD2-CZ 2.8Å; D34-R53 IonicContact OD2-NH1 3.99Å; D34-R53 PolarHBondContact OD2-NH1 3.42Å; D34-R53 IonicContact OD2-NH2 3.18Å; T35-R53 PolarHBondContact O-N 2.87Å; V36-R53 CarbonylContact C-O 3.6Å; V36-R53 WeakPolarHBondContact CA-O 3.39Å; C37-R53 PolarHBondContact N-O 2.78Å; R53-M55 HydrophobicContact CG-CB 4.26Å
54H89.1Confident79.6Confident0 Ų087 Ų870%045%0.446CS..  trans-103.850.7175.4-73.1-166000110.4G5 N6 D7 R25 C37 W40 C45 C50 F52G5-H54 WeakPolarHBondContact O-CB 3.09Å; G5-H54 PolarHBondContact O-ND1 3.46Å; N6-H54 WeakPolarHBondContact CA-O 3.38Å; D7-H54 PolarHBondContact N-O 3.26Å; D7-H54 PolarHBondContact OD2-N 2.81Å; R25-H54 PolarHBondContact NH1-CE1 2.84Å; R25-H54 VanDerWaalsContact NH1-CE1 3.31Å; R25-H54 PolarHBondContact NH1-ND1 2.71Å; C37-H54 VanDerWaalsContact CB-CD2 3.41Å; C37-H54 WeakPolarHBondContact CB-CD2 3.35Å; W40-H54 AromaticContact CD1-CG 3.44Å; W40-H54 VanDerWaalsContact CD1-CG 3.44Å; W40-H54 AromaticContact CD1-ND1 3.6Å; W40-H54 VanDerWaalsContact CD2-CA 3.49Å; W40-H54 HydrophobicContact CD2-CB 3.97Å; W40-H54 HydrophobicContact CG-CB 3.75Å; W40-H54 AromaticContact CG-CD2 3.72Å; W40-H54 AromaticContact CG-CG 3.55Å; W40-H54 WeakPolarHBondContact CZ2-O 3.49Å; C45-H54 PolarHBondContact SG-CE1 3.47Å; C45-H54 PolarHBondContact SG-NE2 3.21Å; C45-H54 VanDerWaalsContact SG-NE2 3.41Å; C50-H54 PolarHBondContact SG-NE2 3.14Å; F52-H54 PolarHBondContact O-CD2 3.29Å; F52-H54 VanDerWaalsContact O-CD2 3.3Å; F52-H54 PolarHBondContact O-N 3.41Å
55M79.4Confident79.7Confident31 Ų3180.6 Ų80.615%0.15342%0.419CS..SBendtrans-158.5137.2176.2177.9173.967.100108.4D7 Y9 V12 W40 R53 M57D7-M55 HydrophobicContact CB-CB 4.2Å; Y9-M55 HydrophobicContact CD2-CE 4.07Å; Y9-M55 HydrophobicContact CD2-SD 3.76Å; Y9-M55 HydrophobicContact CG-SD 4.44Å; V12-M55 HydrophobicContact CB-CE 4.34Å; V12-M55 HydrophobicContact CG1-CE 4.18Å; W40-M55 VanDerWaalsContact CH2-CA 3.4Å; R53-M55 HydrophobicContact CG-CB 4.26Å; M55-M57 PolarHBondContact O-N 3.29Å
56E77.1Confident79.9Confident110 Ų11086 Ų8651%0.51444%0.44SS..PPolyproline II helixtrans-78.8118.2168.3-60.9-141.6109.600108.4W40 R41 Q58W40-E56 HydrophobicContact CH2-CG 3.72Å; W40-E56 HydrophobicContact CZ3-CG 3.79Å; R41-E56 IonicContact CZ-OE1 2.79Å; R41-E56 VanDerWaalsContact CZ-OE1 3.27Å; R41-E56 IonicContact NE-OE1 3.11Å; R41-E56 PolarHBondContact NE-OE1 2.97Å; R41-E56 IonicContact NH2-OE1 2.97Å; R41-E56 PolarHBondContact NH2-OE1 3.49Å; E56-Q58 PolarHBondContact O-N 2.79Å
57M68.1Low80.4Confident119 Ų11986.6 Ų86.659%0.58643%0.433SS*.PPolyproline II helixtrans-68.9123.1163.7-172163.2144.100106.4M55 Q59M55-M57 PolarHBondContact O-N 3.29Å; M57-Q59 PolarHBondContact O-N 2.84Å
58Q65.4Low80.7Confident131 Ų13184.8 Ų84.861%0.61242%0.422SS*.PPolyproline II helixtrans-53.4121.1175.2-71.3-178.215.700107.5E56 I80E56-Q58 PolarHBondContact O-N 2.79Å; Q58-I80 HydrophobicContact CB-CB 4.45Å; Q58-I80 HydrophobicContact CB-CG2 3.72Å; Q58-I80 VanDerWaalsContact OE1-CD1 3.29Å
59Q59.8Low81.2Confident171 Ų17185.6 Ų85.680%0.79943%0.426SS*.PPolyproline II helixtrans-54.8147.8-178.6-65-173.15.400109.1M57 C61M57-Q59 PolarHBondContact O-N 2.84Å; Q59-C61 PolarHBondContact O-N 3.27Å
60N64.3Low81.7Confident60 Ų6082.7 Ų82.732%0.32141%0.409SS..  trans-51115.6173.549.175.6000108.8S62 S98N60-S62 PolarHBondContact O-N 2.73Å; N60-S98 PolarHBondContact ND2-O 3.27Å
61C67.6Low81.7Confident45 Ų4588.7 Ų88.730%0.30445%0.447SS..EExtended strand (participates in β ladder)trans-66.5129.3171.5-79.50000107Q59 I63 I80 F81 Y82Q59-C61 PolarHBondContact O-N 3.27Å; C61-I63 HydrophobicContact CB-CB 4.48Å; C61-I63 PolarHBondContact O-N 3.36Å; C61-I80 PolarHBondContact N-O 3.17Å; C61-F81 HydrophobicContact CB-CD1 4.38Å; C61-Y82 WeakPolarHBondContact O-CB 3.33Å; C61-Y82 PolarHBondContact O-N 3.25Å
62S78.3Confident81.8Confident101 Ų10188 Ų8871%0.70646%0.456SS*.EExtended strand (participates in β ladder)trans-59.9-7.9173-56.70000113.9N60N60-S62 PolarHBondContact O-N 2.73Å
63I86.6Confident81.9Confident114 Ų11485.3 Ų85.359%0.58545%0.451SS*.EExtended strand (participates in β ladder)trans-80.5125.5176.2-56170.6000109.2C61 F81 Y82C61-I63 HydrophobicContact CB-CB 4.48Å; C61-I63 PolarHBondContact O-N 3.36Å; I63-F81 HydrophobicContact CB-CD1 4.21Å; I63-F81 HydrophobicContact CG2-CD1 4.23Å; I63-F81 HydrophobicContact CG2-CE1 4.44Å; I63-Y82 PolarHBondContact O-N 3.38Å
64S89.6Confident82.1Confident80 Ų8084.9 Ų84.956%0.55945%0.451SS*.EExtended strand (participates in β ladder)trans-58.7142.8177.2-58.10000112.9F66 Y82S64-F66 PolarHBondContact O-N 3.24Å; S64-Y82 CarbonylContact C-O 2.88Å; S64-Y82 WeakPolarHBondContact CA-O 3.45Å
65C91.2Very high82.1Confident2 Ų289.5 Ų89.51%0.01448%0.478CS..  trans-69.6114.4175.6-171.50000110.5W67 E68 F81 Y82 H83C65-W67 PolarHBondContact O-N 3.29Å; C65-E68 HydrophobicContact CB-CB 4.09Å; C65-E68 VanDerWaalsContact O-CB 3.27Å; C65-E68 WeakPolarHBondContact O-CB 3.28Å; C65-E68 PolarHBondContact O-N 3.47Å; C65-E68 VanDerWaalsContact O-N 3.08Å; C65-F81 VanDerWaalsContact CA-CB 3.49Å; C65-F81 HydrophobicContact CB-CB 3.62Å; C65-Y82 PolarHBondContact N-O 3.32Å; C65-H83 WeakPolarHBondContact CB-NE2 3.23Å; C65-H83 PolarHBondContact SG-NE2 3.33Å; C65-H83 VanDerWaalsContact SG-NE2 3.38Å
66F92Very high82.3Confident129 Ų12993.9 Ų93.957%0.56650%0.496SS*.G310 helixtrans-56-38.1174.7173.1-98.3000112.8S64 E68 T69 Q70S64-F66 PolarHBondContact O-N 3.24Å; F66-E68 PolarHBondContact O-N 3.28Å; F66-T69 PolarHBondContact O-N 2.98Å; F66-T69 PolarHBondContact O-OG1 3.39Å; F66-Q70 HydrophobicContact CE1-CG 4.16Å; F66-Q70 VanDerWaalsContact CZ-NE2 3.32Å
67W92Very high82.4Confident153 Ų15391.2 Ų91.258%0.5849%0.485SS*.G310 helixtrans-72.2-15.4-179.2-63.9103000113.5C65 T69 Q70 G73 C74C65-W67 PolarHBondContact O-N 3.29Å; W67-T69 PolarHBondContact O-N 3.11Å; W67-Q70 HydrophobicContact CD2-CG 4.49Å; W67-Q70 HydrophobicContact CE3-CB 4.17Å; W67-Q70 HydrophobicContact CE3-CG 3.66Å; W67-Q70 HydrophobicContact CZ3-CG 4.11Å; W67-Q70 PolarHBondContact O-N 2.65Å; W67-G73 CarbonylContact O-C 3.58Å; W67-G73 VanDerWaalsContact O-CA 3.23Å; W67-G73 WeakPolarHBondContact O-CA 3.34Å; W67-C74 HydrophobicContact CB-CB 3.91Å; W67-C74 PolarHBondContact O-N 2.93Å
68E90.8Very high82.9Confident42 Ų4286.9 Ų86.920%0.19647%0.467CS..G310 helixtrans-62.7-30.4173.3-176.4175-11500111.8C65 F66 H83 S84 K85C65-E68 HydrophobicContact CB-CB 4.09Å; C65-E68 VanDerWaalsContact O-CB 3.27Å; C65-E68 WeakPolarHBondContact O-CB 3.28Å; C65-E68 PolarHBondContact O-N 3.47Å; C65-E68 VanDerWaalsContact O-N 3.08Å; F66-E68 PolarHBondContact O-N 3.28Å; E68-H83 VanDerWaalsContact OE1-CA 3.31Å; E68-H83 WeakPolarHBondContact OE1-CA 3.42Å; E68-H83 WeakPolarHBondContact OE1-CB 3.28Å; E68-H83 IonicContact OE1-CD2 3.39Å; E68-H83 IonicContact OE1-CG 3.98Å; E68-S84 PolarHBondContact OE1-N 2.82Å; E68-S84 PolarHBondContact OE1-OG 3.13Å; E68-S84 PolarHBondContact OE2-N 2.86Å; E68-S84 PolarHBondContact OE2-OG 3.33Å; E68-K85 PolarHBondContact OE1-N 3.21Å
69T89Confident83.8Confident106 Ų10681.7 Ų81.765%0.6545%0.445SS*.G310 helixtrans-88.2-6.7-179.364.10000113.7F66 W67F66-T69 PolarHBondContact O-N 2.98Å; F66-T69 PolarHBondContact O-OG1 3.39Å; W67-T69 PolarHBondContact O-N 3.11Å
70Q91.7Very high85Confident65 Ų6575.9 Ų75.930%0.30442%0.419SS..SBendtrans-79.7152.3179.4-61.6-56.7-48.700110.6F66 W67 L72 G73F66-Q70 HydrophobicContact CE1-CG 4.16Å; F66-Q70 VanDerWaalsContact CZ-NE2 3.32Å; W67-Q70 HydrophobicContact CD2-CG 4.49Å; W67-Q70 HydrophobicContact CE3-CB 4.17Å; W67-Q70 HydrophobicContact CE3-CG 3.66Å; W67-Q70 HydrophobicContact CZ3-CG 4.11Å; W67-Q70 PolarHBondContact O-N 2.65Å; Q70-L72 PolarHBondContact O-N 3.01Å; Q70-G73 PolarHBondContact O-N 2.91Å
71P86.6Confident86.1Confident138 Ų13876.9 Ų76.990%0.89642%0.42SS*.THydrogen-bonded Turntrans-55.6-30.9-177.9-24.232.1000113.8
72L86.8Confident87Confident151 Ų15176.2 Ų76.279%0.79141%0.412SS*.THydrogen-bonded Turntrans-83.7-15.8179.5-14777.3000113.4Q70Q70-L72 PolarHBondContact O-N 3.01Å
73G89.3Confident87.6Confident25 Ų2571.5 Ų71.526%0.25838%0.378SS..  trans66.3178.3-170.900000114W67 Q70 V75W67-G73 CarbonylContact O-C 3.58Å; W67-G73 VanDerWaalsContact O-CA 3.23Å; W67-G73 WeakPolarHBondContact O-CA 3.34Å; Q70-G73 PolarHBondContact O-N 2.91Å; G73-V75 PolarHBondContact O-N 2.96Å
74C90.3Very high87.7Confident10 Ų1069.2 Ų69.27%0.06837%0.373CS..  trans-82.6109175.9-1740000111.3W67 K76 C79 H83 R87 I89W67-C74 HydrophobicContact CB-CB 3.91Å; W67-C74 PolarHBondContact O-N 2.93Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-C79 VanDerWaalsContact SG-SG 3.62Å; C74-H83 VanDerWaalsContact CB-NE2 3.3Å; C74-H83 WeakPolarHBondContact CB-NE2 3.41Å; C74-R87 PolarHBondContact O-NH1 3.04Å; C74-I89 WeakPolarHBondContact O-CD1 3.44Å
75V87.8Confident87.6Confident97 Ų9772.3 Ų72.359%0.58838%0.376SS*.  trans-861.4177.7-59.70000114.2G73 I77G73-V75 PolarHBondContact O-N 2.96Å; V75-I77 PolarHBondContact O-N 3.11Å
76K83.8Confident87.4Confident122 Ų12275.5 Ų75.553%0.5340%0.396SS..  trans-84.1107.9179.2-174.1172.3-178.2176.60110C74 S78 C79 R87C74-K76 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3.04Å; K76-C79 HydrophobicContact CB-CB 4.1Å; K76-C79 HydrophobicContact CG-CB 4.27Å; K76-C79 VanDerWaalsContact O-CB 3.3Å; K76-C79 WeakPolarHBondContact O-CB 3.4Å; K76-C79 PolarHBondContact O-N 3.32Å; K76-R87 PolarHBondContact O-NH1 3.33Å
77I80.5Confident87.2Confident54 Ų5470.9 Ų70.928%0.27738%0.375SS..THydrogen-bonded Turntrans-51.8-55.4179.7-62.1171000110.1V75 C79 R87 I89 L92 L94V75-I77 PolarHBondContact O-N 3.11Å; I77-C79 VanDerWaalsContact C-N 3.29Å; I77-C79 PolarHBondContact O-N 3.38Å; I77-C79 VanDerWaalsContact O-N 3.13Å; I77-R87 PolarHBondContact O-NH2 2.96Å; I77-I89 HydrophobicContact CD1-CG2 4.34Å; I77-I89 HydrophobicContact CG1-CB 4.14Å; I77-I89 HydrophobicContact CG1-CD1 4.22Å; I77-I89 HydrophobicContact CG1-CG2 3.8Å; I77-L92 HydrophobicContact CD1-CD1 4.08Å; I77-L94 HydrophobicContact CB-CD1 4.29Å; I77-L94 HydrophobicContact CG1-CD1 4.48Å; I77-L94 HydrophobicContact CG2-CD1 4.03Å; I77-L94 HydrophobicContact CG2-CD2 4.14Å
78S77.8Confident87Confident28 Ų2869.4 Ų69.420%0.19638%0.379CS..THydrogen-bonded Turntrans-89.349.5179.6-37.30000112.7Y9 N13 K76Y9-S78 WeakPolarHBondContact OH-CB 3.3Å; N13-S78 WeakPolarHBondContact OD1-CB 3.4Å; N13-S78 PolarHBondContact OD1-OG 3.41Å; K76-S78 PolarHBondContact O-N 3.04Å
79C84.4Confident86.7Confident22 Ų2268.2 Ų68.215%0.14937%0.373CS..  trans-78126.7176.3-165.70000110.6C74 K76 I77 H83C74-C79 VanDerWaalsContact SG-SG 3.62Å; K76-C79 HydrophobicContact CB-CB 4.1Å; K76-C79 HydrophobicContact CG-CB 4.27Å; K76-C79 VanDerWaalsContact O-CB 3.3Å; K76-C79 WeakPolarHBondContact O-CB 3.4Å; K76-C79 PolarHBondContact O-N 3.32Å; I77-C79 VanDerWaalsContact C-N 3.29Å; I77-C79 PolarHBondContact O-N 3.38Å; I77-C79 VanDerWaalsContact O-N 3.13Å; C79-H83 VanDerWaalsContact SG-CE1 3.53Å
80I84Confident86.3Confident50 Ų5070.4 Ų70.426%0.25638%0.381SS..  trans-83-16.9-176.767.3174.8000113.1Q58 C61Q58-I80 HydrophobicContact CB-CB 4.45Å; Q58-I80 HydrophobicContact CB-CG2 3.72Å; Q58-I80 VanDerWaalsContact OE1-CD1 3.29Å; C61-I80 PolarHBondContact N-O 3.17Å
81F88Confident85.7Confident81 Ų8171.1 Ų71.136%0.35541%0.406SS..EExtended strand (participates in β ladder)trans-75.8151.9-179.1-64.4-74.2000111.2C61 I63 C65 H83C61-F81 HydrophobicContact CB-CD1 4.38Å; I63-F81 HydrophobicContact CB-CD1 4.21Å; I63-F81 HydrophobicContact CG2-CD1 4.23Å; I63-F81 HydrophobicContact CG2-CE1 4.44Å; C65-F81 VanDerWaalsContact CA-CB 3.49Å; C65-F81 HydrophobicContact CB-CB 3.62Å; F81-H83 PolarHBondContact O-CE1 2.87Å; F81-H83 VanDerWaalsContact O-CE1 3.32Å; F81-H83 PolarHBondContact O-N 2.83Å; F81-H83 PolarHBondContact O-ND1 3.41Å
82Y87.7Confident85.3Confident31 Ų3169 Ų6912%0.12239%0.387CS..EExtended strand (participates in β ladder)trans-63.8124.5-179.7-177.9-93.8000111.3C61 I63 S64 C65 S97 R99C61-Y82 WeakPolarHBondContact O-CB 3.33Å; C61-Y82 PolarHBondContact O-N 3.25Å; I63-Y82 PolarHBondContact O-N 3.38Å; S64-Y82 CarbonylContact C-O 2.88Å; S64-Y82 WeakPolarHBondContact CA-O 3.45Å; C65-Y82 PolarHBondContact N-O 3.32Å; Y82-S97 VanDerWaalsContact CE2-O 3.28Å; Y82-S97 WeakPolarHBondContact CE2-O 3.27Å; Y82-R99 HydrophobicContact CE2-CB 4.19Å; Y82-R99 HydrophobicContact CE2-CG 4.41Å; Y82-R99 VanDerWaalsContact CZ-NH2 3.25Å; Y82-R99 PolarHBondContact OH-NH2 3.21Å
83H89.6Confident85Confident2 Ų268.1 Ų68.11%0.00938%0.377CS..  trans-107.7128.3170.7-67.279.7000109.7C65 E68 C74 C79 F81 R87 S97C65-H83 WeakPolarHBondContact CB-NE2 3.23Å; C65-H83 PolarHBondContact SG-NE2 3.33Å; C65-H83 VanDerWaalsContact SG-NE2 3.38Å; E68-H83 VanDerWaalsContact OE1-CA 3.31Å; E68-H83 WeakPolarHBondContact OE1-CA 3.42Å; E68-H83 WeakPolarHBondContact OE1-CB 3.28Å; E68-H83 IonicContact OE1-CD2 3.39Å; E68-H83 IonicContact OE1-CG 3.98Å; C74-H83 VanDerWaalsContact CB-NE2 3.3Å; C74-H83 WeakPolarHBondContact CB-NE2 3.41Å; C79-H83 VanDerWaalsContact SG-CE1 3.53Å; F81-H83 PolarHBondContact O-CE1 2.87Å; F81-H83 VanDerWaalsContact O-CE1 3.32Å; F81-H83 PolarHBondContact O-N 2.83Å; F81-H83 PolarHBondContact O-ND1 3.41Å; H83-R87 VanDerWaalsContact CD2-CD 3.45Å; H83-R87 WeakPolarHBondContact CD2-CD 3.3Å; H83-R87 PolarHBondContact CD2-NE 2.79Å; H83-S97 PolarHBondContact N-OG 3.08Å; H83-S97 PolarHBondContact O-N 2.77Å
84S89.2Confident84.6Confident66 Ų6668.5 Ų68.546%0.46237%0.373SS..SBendtrans-82.8-25175.361.40000112.5E68E68-S84 PolarHBondContact OE1-N 2.82Å; E68-S84 PolarHBondContact OE1-OG 3.13Å; E68-S84 PolarHBondContact OE2-N 2.86Å; E68-S84 PolarHBondContact OE2-OG 3.33Å
85K86.9Confident84.2Confident144 Ų14472.2 Ų72.263%0.62640%0.396SS*.SBendtrans-116.9149.2-176.5-65.2176.5-176.61760111.8E68E68-K85 PolarHBondContact OE1-N 3.21Å
86P86.4Confident84Confident69 Ų6970.1 Ų70.145%0.44839%0.385SS..  trans-63.2155.2169.626.9-33.1000111F93 L94P86-F93 HydrophobicContact CB-CE2 3.59Å; P86-F93 HydrophobicContact CB-CZ 3.68Å; P86-F93 HydrophobicContact CG-CE2 4.32Å; P86-F93 HydrophobicContact CG-CZ 4.48Å; P86-L94 CarbonylContact C-O 3.58Å; P86-L94 VanDerWaalsContact CA-O 3.28Å; P86-L94 WeakPolarHBondContact CA-O 3.36Å
87R88.7Confident84Confident33 Ų3365.7 Ų65.713%0.12537%0.369CS..EExtended strand (participates in β ladder)trans-127.9144-179.1-59.8178.3-70.71473.5110.4C74 K76 I77 H83 I89 L94C74-R87 PolarHBondContact O-NH1 3.04Å; K76-R87 PolarHBondContact O-NH1 3.33Å; I77-R87 PolarHBondContact O-NH2 2.96Å; H83-R87 VanDerWaalsContact CD2-CD 3.45Å; H83-R87 WeakPolarHBondContact CD2-CD 3.3Å; H83-R87 PolarHBondContact CD2-NE 2.79Å; R87-I89 HydrophobicContact CB-CD1 4.39Å; R87-I89 HydrophobicContact CB-CG1 4.29Å; R87-L94 HydrophobicContact CB-CB 4.33Å; R87-L94 PolarHBondContact N-O 3.37Å; R87-L94 PolarHBondContact O-N 3.3Å
88N86.9Confident83.5Confident122 Ų12267.4 Ų67.465%0.65239%0.386SS*.EExtended strand (participates in β ladder)trans-115.7109.3172.1-71-63.8000108.6L92 F93N88-L92 WeakPolarHBondContact CA-O 3.44Å; N88-F93 WeakPolarHBondContact OD1-CD2 3.36Å
89I84.8Confident82.5Confident16 Ų1673.9 Ų73.98%0.08241%0.406CS..EExtended strand (participates in β ladder)trans-123.7116.1-175.8-52175.7000107.7C74 I77 R87 G91 L92 L94C74-I89 WeakPolarHBondContact O-CD1 3.44Å; I77-I89 HydrophobicContact CD1-CG2 4.34Å; I77-I89 HydrophobicContact CG1-CB 4.14Å; I77-I89 HydrophobicContact CG1-CD1 4.22Å; I77-I89 HydrophobicContact CG1-CG2 3.8Å; R87-I89 HydrophobicContact CB-CD1 4.39Å; R87-I89 HydrophobicContact CB-CG1 4.29Å; I89-G91 PolarHBondContact O-N 2.93Å; I89-L92 PolarHBondContact N-O 3.06Å; I89-L92 VanDerWaalsContact O-CB 3.3Å; I89-L92 WeakPolarHBondContact O-CB 3.31Å; I89-L92 PolarHBondContact O-N 2.89Å; I89-L94 HydrophobicContact CD1-CD1 3.55Å; I89-L94 HydrophobicContact CG1-CD1 4.13Å
90N81Confident81.1Confident153 Ų15378.3 Ų78.382%0.81843%0.433SS*.THydrogen-bonded Turntrans52.438-177.6-60.2-19.3000113.9L92N90-L92 PolarHBondContact O-N 3.36Å
91G79.3Confident79.1Confident79 Ų7988.8 Ų88.881%0.81448%0.476SS*.THydrogen-bonded Turntrans78.8-0.9-177.500000115I89I89-G91 PolarHBondContact O-N 2.93Å
92L77.4Confident78.6Confident95 Ų9589.2 Ų89.250%0.49748%0.482SS..EExtended strand (participates in β ladder)trans-88.2120.9172.8-60.8169.3000110.1I77 N88 I89 N90I77-L92 HydrophobicContact CD1-CD1 4.08Å; N88-L92 WeakPolarHBondContact CA-O 3.44Å; I89-L92 PolarHBondContact N-O 3.06Å; I89-L92 VanDerWaalsContact O-CB 3.3Å; I89-L92 WeakPolarHBondContact O-CB 3.31Å; I89-L92 PolarHBondContact O-N 2.89Å; N90-L92 PolarHBondContact O-N 3.36Å
93F81.6Confident78.1Confident132 Ų13292.2 Ų92.258%0.57950%0.501SS*.EExtended strand (participates in β ladder)trans-79.7118.5170.6179.3-97.2000110P86 N88 P95P86-F93 HydrophobicContact CB-CE2 3.59Å; P86-F93 HydrophobicContact CB-CZ 3.68Å; P86-F93 HydrophobicContact CG-CE2 4.32Å; P86-F93 HydrophobicContact CG-CZ 4.48Å; N88-F93 WeakPolarHBondContact OD1-CD2 3.36Å; F93-P95 HydrophobicContact CE1-CB 4.38Å
94L81.4Confident77.5Confident33 Ų3397.2 Ų97.217%0.17353%0.529CS..EExtended strand (participates in β ladder)trans-109.3117.7176.4-60.3173000108.9I77 P86 R87 I89I77-L94 HydrophobicContact CB-CD1 4.29Å; I77-L94 HydrophobicContact CG1-CD1 4.48Å; I77-L94 HydrophobicContact CG2-CD1 4.03Å; I77-L94 HydrophobicContact CG2-CD2 4.14Å; P86-L94 CarbonylContact C-O 3.58Å; P86-L94 VanDerWaalsContact CA-O 3.28Å; P86-L94 WeakPolarHBondContact CA-O 3.36Å; R87-L94 HydrophobicContact CB-CB 4.33Å; R87-L94 PolarHBondContact N-O 3.37Å; R87-L94 PolarHBondContact O-N 3.3Å; I89-L94 HydrophobicContact CD1-CD1 3.55Å; I89-L94 HydrophobicContact CG1-CD1 4.13Å
95P80.3Confident76.8Confident87 Ų8799.1 Ų99.157%0.56553%0.533SS*.PPolyproline II helixtrans-66.2159.5178.527.7-33.8000111.6F93F93-P95 HydrophobicContact CE1-CB 4.38Å
96P84.7Confident76.2Confident54 Ų5496.3 Ų96.335%0.35153%0.527SS..PPolyproline II helixtrans-61.6157172.527-33.9000111.2S98P96-S98 PolarHBondContact O-N 3.31Å
97S82.8Confident75.5Confident28 Ų2898.1 Ų98.120%0.19653%0.532CS..PPolyproline II helixtrans-66.5123.4-179.3-60.30000110.8Y82 H83 R99Y82-S97 VanDerWaalsContact CE2-O 3.28Å; Y82-S97 WeakPolarHBondContact CE2-O 3.27Å; H83-S97 PolarHBondContact N-OG 3.08Å; H83-S97 PolarHBondContact O-N 2.77Å; S97-R99 PolarHBondContact O-N 3.31Å
98S69.8Low74.6Confident91 Ų91102.7 Ų102.764%0.63656%0.561SS**PPolyproline II helixtrans-69.4119.7170.5-49.40000108.9N60 P96 T100N60-S98 PolarHBondContact ND2-O 3.27Å; P96-S98 PolarHBondContact O-N 3.31Å; S98-T100 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 2.92Å
99R58.1Low73.6Confident163 Ų163101.2 Ų101.262%0.61555%0.554SS**  trans-77.190170.9-151.4-175.2-57.3-109.30.3106.3Y82 S97 K101Y82-R99 HydrophobicContact CE2-CB 4.19Å; Y82-R99 HydrophobicContact CE2-CG 4.41Å; Y82-R99 VanDerWaalsContact CZ-NH2 3.25Å; Y82-R99 PolarHBondContact OH-NH2 3.21Å; S97-R99 PolarHBondContact O-N 3.31Å; R99-K101 PolarHBondContact O-N 3.21Å; R99-K101 VanDerWaalsContact O-N 3.11Å
100T54Low72.7Confident115 Ų115108.3 Ų108.371%0.70659%0.594SS**  trans-64.3114.4174.2-370000106.8S98S98-T100 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 2.92Å
101K41.8Very low71.9Confident270 Ų270104.3 Ų104.3100%1.17457%0.573SS**  trans-76.20173.4-88.8-168.8175.7-175.60110.4R99R99-K101 PolarHBondContact O-N 3.21Å; R99-K101 VanDerWaalsContact O-N 3.11Å

Retrieved 101 of 101 residues in 364.2 ms (Link to these results)