A0A096MP57_PAPAN Loading...

Zinc finger C2HC-type containing 1B

AlphaFold DB , UniProt , Accession A0A096MP57, Species PAPAN (Papio anubis, Olive baboon), Gene ZC2HC1B, Length 222 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
1M39.8Very low51.7Low240 Ų240127.7 Ų127.7100%1.18280%0.801SS**  0130.60-62.4-48.5-171.300108.2
2A47.4Very low52.5Low103 Ų103129.6 Ų129.685%0.85180%0.801SS**  trans-85.6128171.500000108.8A4A2-A4 PolarHBondContact O-N 3.02Å
3G44.7Very low54.2Low73 Ų73126.9 Ų126.975%0.75377%0.773SS**  trans-71.9116.817300000109.8E5G3-E5 PolarHBondContact O-N 3.3Å
4A52.8Low56.3Low99 Ų99127.8 Ų127.882%0.81877%0.765SS**  trans-83.489.2171.800000108.8A2A2-A4 PolarHBondContact O-N 3.02Å
5E55.3Low58.7Low172 Ų172123.9 Ų123.980%0.80474%0.738SS**  trans-55.3128.5172.3-76-67.69700110G3 F7G3-E5 PolarHBondContact O-N 3.3Å; E5-F7 PolarHBondContact O-N 2.89Å
6P53.9Low60.7Low96 Ų96121 Ų12162%0.62371%0.713SS**  trans-70120.6-175.327-33.1000110.6L8P6-L8 VanDerWaalsContact C-N 3.32Å; P6-L8 PolarHBondContact O-N 3.26Å
7F53Low62.7Low198 Ų198118.8 Ų118.887%0.86870%0.703SS**  trans-67.788.3173.5-173.9-93.2000109.9E5 A9E5-F7 PolarHBondContact O-N 2.89Å; F7-A9 PolarHBondContact O-N 3.18Å; F7-A9 VanDerWaalsContact O-N 3.11Å
8L54.5Low64.4Low150 Ų150112.6 Ų112.679%0.78567%0.666SS**  trans-66.1109.4174.7-67.1178.4000109.1P6 D10P6-L8 VanDerWaalsContact C-N 3.32Å; P6-L8 PolarHBondContact O-N 3.26Å; L8-D10 PolarHBondContact O-N 2.96Å
9A54.3Low65.8Low88 Ų88116.6 Ų116.673%0.72768%0.678SS**  trans-69.395.417500000109.3F7 G11F7-A9 PolarHBondContact O-N 3.18Å; F7-A9 VanDerWaalsContact O-N 3.11Å; A9-G11 VanDerWaalsContact C-N 3.28Å; A9-G11 PolarHBondContact O-N 3.43Å
10D56Low67Low105 Ų105112.5 Ų112.556%0.56166%0.655SS**  trans-75.972-165-161-6000113L8 N12 Q13L8-D10 PolarHBondContact O-N 2.96Å; D10-N12 PolarHBondContact O-N 2.95Å; D10-Q13 HydrophobicContact CB-CG 4.13Å; D10-Q13 WeakPolarHBondContact OD1-CG 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.44Å; D10-Q13 PolarHBondContact OD2-NE2 3.26Å
11G57Low68.2Low81 Ų81109 Ų10984%0.83564%0.636SS**THydrogen-bonded Turntrans-74.42.3-171.400000116.1A9A9-G11 VanDerWaalsContact C-N 3.28Å; A9-G11 PolarHBondContact O-N 3.43Å
12N61.6Low70.6Confident150 Ų150100.3 Ų100.380%0.80261%0.608SS**THydrogen-bonded Turntrans-150.146.3-177.9-162.423.8000113.7D10 E14D10-N12 PolarHBondContact O-N 2.95Å; N12-E14 PolarHBondContact O-N 3.26Å
13Q74.4Confident72.8Confident95 Ų95103.7 Ų103.744%0.44460%0.599SS.*  trans-59.6129.6171.4-68.6-174.9-12.800111.4D10 L15 A26D10-Q13 HydrophobicContact CB-CG 4.13Å; D10-Q13 WeakPolarHBondContact OD1-CG 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.44Å; D10-Q13 PolarHBondContact OD2-NE2 3.26Å; Q13-L15 HydrophobicContact CB-CD2 4.48Å; Q13-L15 WeakPolarHBondContact O-CG 3.24Å; Q13-L15 PolarHBondContact O-N 3.27Å; Q13-A26 HydrophobicContact CB-CB 4.36Å
14E83.8Confident75.1Confident139 Ų139108 Ų10865%0.6559%0.592SS**  trans-69.5116176.7-167.3175.4-178.600110.7N12 F16N12-E14 PolarHBondContact O-N 3.26Å; E14-F16 HydrophobicContact CB-CE2 3.89Å; E14-F16 HydrophobicContact CB-CZ 4.08Å; E14-F16 HydrophobicContact CG-CE1 4.14Å; E14-F16 HydrophobicContact CG-CE2 3.83Å; E14-F16 HydrophobicContact CG-CZ 3.61Å; E14-F16 WeakPolarHBondContact O-CD2 3.11Å; E14-F16 WeakPolarHBondContact O-CE2 3.37Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.36Å
15L91.6Very high77Confident70 Ų70105.2 Ų105.237%0.36656%0.561SS.*  trans-97.9103.1-173.9-59.9-177.5000112Q13 R24 F25 A26Q13-L15 HydrophobicContact CB-CD2 4.48Å; Q13-L15 WeakPolarHBondContact O-CG 3.24Å; Q13-L15 PolarHBondContact O-N 3.27Å; L15-R24 HydrophobicContact CB-CB 3.98Å; L15-R24 PolarHBondContact O-NE 3.13Å; L15-R24 PolarHBondContact O-NH2 2.83Å; L15-F25 CarbonylContact C-O 3.6Å; L15-F25 WeakPolarHBondContact CA-O 3.37Å; L15-A26 HydrophobicContact CD2-CB 4.23Å
16F90.6Very high78.8Confident77 Ų7797.8 Ų97.834%0.33853%0.53SS..EExtended strand (participates in β ladder)trans-85.3137.7-179.6-61.4-83.6000112E14 R24 F25 A27 L30E14-F16 HydrophobicContact CB-CE2 3.89Å; E14-F16 HydrophobicContact CB-CZ 4.08Å; E14-F16 HydrophobicContact CG-CE1 4.14Å; E14-F16 HydrophobicContact CG-CE2 3.83Å; E14-F16 HydrophobicContact CG-CZ 3.61Å; E14-F16 WeakPolarHBondContact O-CD2 3.11Å; E14-F16 WeakPolarHBondContact O-CE2 3.37Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.36Å; F16-R24 CarbonylContact O-C 3.39Å; F16-R24 VanDerWaalsContact O-CA 3.29Å; F16-R24 WeakPolarHBondContact O-CA 3.33Å; F16-F25 PolarHBondContact N-O 2.85Å; F16-F25 PolarHBondContact O-N 3.28Å; F16-A27 HydrophobicContact CD2-CB 4.48Å; F16-A27 HydrophobicContact CE2-CB 4.41Å; F16-L30 HydrophobicContact CB-CD2 3.53Å
17P94.5Very high80.5Confident84 Ų8496.1 Ų96.155%0.54552%0.524SS..EExtended strand (participates in β ladder)trans-78.1138178.531.7-33.9000112.4E19 R24P17-E19 PolarHBondContact O-N 3.46Å; P17-R24 HydrophobicContact CB-CG 4.31Å
18C93.7Very high82.3Confident6 Ų690.6 Ų90.64%0.04150%0.503CS..PPolyproline II helixtrans-75.5118.4169.9176.80000111.2V20 C21 G22 R23 F25 L30 H33C18-V20 PolarHBondContact O-N 3.03Å; C18-C21 PolarHBondContact O-N 3.16Å; C18-G22 WeakPolarHBondContact O-CA 3.44Å; C18-G22 PolarHBondContact O-N 3.26Å; C18-R23 PolarHBondContact N-O 3.09Å; C18-F25 HydrophobicContact CB-CD2 4.33Å; C18-F25 HydrophobicContact CB-CE2 4.08Å; C18-L30 HydrophobicContact CB-CD1 3.85Å; C18-H33 PolarHBondContact SG-CD2 3.33Å
19E90.5Very high84.1Confident189 Ų18986.8 Ų86.888%0.88349%0.486SS*.THydrogen-bonded Turntrans-44.2-36.3176-57.5174.6165.700114.4P17P17-E19 PolarHBondContact O-N 3.46Å
20V91.4Very high86Confident35 Ų3584.5 Ų84.521%0.21246%0.462CS..THydrogen-bonded Turntrans-88.8-29.7-170.2177.80000112.9C18 K38 F41C18-V20 PolarHBondContact O-N 3.03Å; V20-K38 HydrophobicContact CG2-CB 4.26Å; V20-K38 HydrophobicContact CG2-CG 4.45Å; V20-F41 HydrophobicContact CG1-CB 3.42Å; V20-F41 VanDerWaalsContact CG1-CB 3.42Å; V20-F41 HydrophobicContact CG1-CD1 3.77Å; V20-F41 HydrophobicContact CG1-CD2 4.14Å; V20-F41 HydrophobicContact CG1-CG 3.53Å; V20-F41 WeakPolarHBondContact O-CD2 3.44Å; V20-F41 VanDerWaalsContact O-CE2 3.23Å; V20-F41 WeakPolarHBondContact O-CE2 3.06Å; V20-F41 VanDerWaalsContact O-CZ 3.25Å; V20-F41 WeakPolarHBondContact O-CZ 3.45Å
21C91.3Very high87.7Confident40 Ų4086.8 Ų86.827%0.2747%0.469SS..THydrogen-bonded Turntrans-1343.2-175.879.60000116.3C18 R23 H33 F41C18-C21 PolarHBondContact O-N 3.16Å; C21-R23 PolarHBondContact O-N 3.23Å; C21-H33 PolarHBondContact SG-NE2 3.36Å; C21-H33 VanDerWaalsContact SG-NE2 3.38Å; C21-F41 HydrophobicContact CB-CD2 4.11Å; C21-F41 HydrophobicContact CB-CE2 4.17Å
22G90.9Very high89.5Confident57 Ų5790.5 Ų90.559%0.58846%0.458SS*.  trans69.6-5.3176.300000116.2C18C18-G22 WeakPolarHBondContact O-CA 3.44Å; C18-G22 PolarHBondContact O-N 3.26Å
23R93.1Very high91.1Very high174 Ų17485.2 Ų85.266%0.65743%0.428SS*.  trans-70.2139176.7-63.1177.9-173-140.2-1.7110.3C18 C21 F25C18-R23 PolarHBondContact N-O 3.09Å; C21-R23 PolarHBondContact O-N 3.23Å; R23-F25 HydrophobicContact CB-CD2 4.44Å; R23-F25 HydrophobicContact CB-CE2 3.49Å; R23-F25 VanDerWaalsContact CB-CE2 3.49Å; R23-F25 HydrophobicContact CB-CZ 3.6Å; R23-F25 WeakPolarHBondContact O-CD2 3.36Å; R23-F25 WeakPolarHBondContact O-CE2 3.27Å
24R92.9Very high91.9Very high162 Ų16281.9 Ų81.961%0.61142%0.419SS*.EExtended strand (participates in β ladder)trans-92.9142.9178.3-57.8179.567.9-172.22.7111.3L15 F16 P17L15-R24 HydrophobicContact CB-CB 3.98Å; L15-R24 PolarHBondContact O-NE 3.13Å; L15-R24 PolarHBondContact O-NH2 2.83Å; F16-R24 CarbonylContact O-C 3.39Å; F16-R24 VanDerWaalsContact O-CA 3.29Å; F16-R24 WeakPolarHBondContact O-CA 3.33Å; P17-R24 HydrophobicContact CB-CG 4.31Å
25F92.9Very high92.4Very high41 Ų4178.4 Ų78.418%0.1841%0.408CS..EExtended strand (participates in β ladder)trans-146.1152.7-177.9-58.1-80.9000110.7L15 F16 C18 R23 V29 L30 H33L15-F25 CarbonylContact C-O 3.6Å; L15-F25 WeakPolarHBondContact CA-O 3.37Å; F16-F25 PolarHBondContact N-O 2.85Å; F16-F25 PolarHBondContact O-N 3.28Å; C18-F25 HydrophobicContact CB-CD2 4.33Å; C18-F25 HydrophobicContact CB-CE2 4.08Å; R23-F25 HydrophobicContact CB-CD2 4.44Å; R23-F25 HydrophobicContact CB-CE2 3.49Å; R23-F25 VanDerWaalsContact CB-CE2 3.49Å; R23-F25 HydrophobicContact CB-CZ 3.6Å; R23-F25 WeakPolarHBondContact O-CD2 3.36Å; R23-F25 WeakPolarHBondContact O-CE2 3.27Å; F25-V29 HydrophobicContact CB-CB 4.13Å; F25-V29 HydrophobicContact CB-CG1 4.1Å; F25-V29 HydrophobicContact CD1-CG1 3.61Å; F25-V29 HydrophobicContact CE1-CG1 4.42Å; F25-V29 HydrophobicContact CG-CG1 4.16Å; F25-L30 HydrophobicContact CB-CB 4.1Å; F25-L30 HydrophobicContact CD2-CD1 4.16Å; F25-H33 HydrophobicContact CD2-CB 4.43Å; F25-H33 AromaticContact CD2-CD2 3.9Å; F25-H33 HydrophobicContact CE2-CB 4.33Å; F25-H33 AromaticContact CE2-CD2 3.27Å; F25-H33 WeakPolarHBondContact CE2-CD2 3.4Å; F25-H33 AromaticContact CE2-CE1 3.63Å; F25-H33 AromaticContact CE2-CG 3.54Å; F25-H33 AromaticContact CE2-ND1 3.75Å; F25-H33 AromaticContact CE2-NE2 3.35Å; F25-H33 VanDerWaalsContact CE2-NE2 3.35Å; F25-H33 WeakPolarHBondContact CE2-NE2 3.4Å; F25-H33 AromaticContact CZ-CD2 3.82Å; F25-H33 AromaticContact CZ-CE1 3.42Å; F25-H33 VanDerWaalsContact CZ-CE1 3.42Å; F25-H33 WeakPolarHBondContact CZ-CE1 3.46Å; F25-H33 AromaticContact CZ-CG 3.7Å; F25-H33 AromaticContact CZ-ND1 3.44Å; F25-H33 WeakPolarHBondContact CZ-ND1 3.38Å; F25-H33 AromaticContact CZ-NE2 3.66Å
26A92.9Very high92.4Very high16 Ų1679.7 Ų79.713%0.13242%0.415CS..  trans-64.5156.616500000110.5Q13 L15 D28 V29 L30Q13-A26 HydrophobicContact CB-CB 4.36Å; L15-A26 HydrophobicContact CD2-CB 4.23Å; A26-D28 PolarHBondContact O-N 3.08Å; A26-V29 CarbonylContact O-C 3.59Å; A26-V29 WeakPolarHBondContact O-CA 3.39Å; A26-V29 PolarHBondContact O-N 3Å; A26-L30 PolarHBondContact O-N 3.04Å
27A89.6Confident92.6Very high61 Ų6176.6 Ų76.650%0.50440%0.402SS..Hα-helixtrans-51.3-53.6-168.600000114.7F16 V29 L30 E31F16-A27 HydrophobicContact CD2-CB 4.48Å; F16-A27 HydrophobicContact CE2-CB 4.41Å; A27-V29 VanDerWaalsContact C-N 3.31Å; A27-V29 PolarHBondContact O-N 2.99Å; A27-L30 WeakPolarHBondContact O-CB 3.46Å; A27-L30 PolarHBondContact O-N 2.97Å; A27-L30 VanDerWaalsContact O-N 3.07Å; A27-E31 PolarHBondContact O-N 3.36Å
28D91Very high92.4Very high82 Ų8279.5 Ų79.544%0.43941%0.407SS..Hα-helixtrans-57.3-41.7176.7170.444.7000112.6A26 L30 E31 R32A26-D28 PolarHBondContact O-N 3.08Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.95Å; D28-E31 PolarHBondContact O-N 3.4Å; D28-R32 WeakPolarHBondContact O-CG 3.01Å; D28-R32 PolarHBondContact O-N 2.94Å; D28-R32 IonicContact OD1-CZ 2.69Å; D28-R32 IonicContact OD1-NE 2.78Å; D28-R32 PolarHBondContact OD1-NE 3.11Å; D28-R32 IonicContact OD1-NH2 3.45Å; D28-R32 PolarHBondContact OD1-NH2 3.27Å; D28-R32 IonicContact OD2-CZ 3.33Å; D28-R32 IonicContact OD2-NE 3.6Å; D28-R32 IonicContact OD2-NH2 3.88Å; D28-R32 PolarHBondContact OD2-NH2 2.85Å
29V92.9Very high92.3Very high70 Ų7086 Ų8642%0.42443%0.434SS..Hα-helixtrans-69.7-34.6177.5-176.10000110.8F25 A26 A27 H33F25-V29 HydrophobicContact CB-CB 4.13Å; F25-V29 HydrophobicContact CB-CG1 4.1Å; F25-V29 HydrophobicContact CD1-CG1 3.61Å; F25-V29 HydrophobicContact CE1-CG1 4.42Å; F25-V29 HydrophobicContact CG-CG1 4.16Å; A26-V29 CarbonylContact O-C 3.59Å; A26-V29 WeakPolarHBondContact O-CA 3.39Å; A26-V29 PolarHBondContact O-N 3Å; A27-V29 VanDerWaalsContact C-N 3.31Å; A27-V29 PolarHBondContact O-N 2.99Å; V29-H33 WeakPolarHBondContact O-CB 3.45Å; V29-H33 PolarHBondContact O-N 3.24Å
30L93.1Very high92.2Very high41 Ų4182.2 Ų82.222%0.21542%0.419CS..Hα-helixtrans-67.1-41.9175.4-177.458000111.9F16 C18 F25 A26 A27 D28 R32 H33 G34F16-L30 HydrophobicContact CB-CD2 3.53Å; C18-L30 HydrophobicContact CB-CD1 3.85Å; F25-L30 HydrophobicContact CB-CB 4.1Å; F25-L30 HydrophobicContact CD2-CD1 4.16Å; A26-L30 PolarHBondContact O-N 3.04Å; A27-L30 WeakPolarHBondContact O-CB 3.46Å; A27-L30 PolarHBondContact O-N 2.97Å; A27-L30 VanDerWaalsContact O-N 3.07Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.95Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.45Å; L30-H33 PolarHBondContact O-N 3.48Å; L30-G34 PolarHBondContact O-N 2.8Å
31E92.7Very high92Very high152 Ų15286.6 Ų86.671%0.7144%0.436SS*.Hα-helixtrans-56.2-48.1176.8-169-167.4142.400111A27 D28 P35A27-E31 PolarHBondContact O-N 3.36Å; D28-E31 PolarHBondContact O-N 3.4Å; E31-P35 WeakPolarHBondContact O-CD 3.25Å
32R94.6Very high91.7Very high159 Ų15990.8 Ų90.860%0.646%0.456SS*.Hα-helixtrans-69.8-36.1176.9-58.2174.3-159-159.27.1112.1D28 L30 I36D28-R32 WeakPolarHBondContact O-CG 3.01Å; D28-R32 PolarHBondContact O-N 2.94Å; D28-R32 IonicContact OD1-CZ 2.69Å; D28-R32 IonicContact OD1-NE 2.78Å; D28-R32 PolarHBondContact OD1-NE 3.11Å; D28-R32 IonicContact OD1-NH2 3.45Å; D28-R32 PolarHBondContact OD1-NH2 3.27Å; D28-R32 IonicContact OD2-CZ 3.33Å; D28-R32 IonicContact OD2-NE 3.6Å; D28-R32 IonicContact OD2-NH2 3.88Å; D28-R32 PolarHBondContact OD2-NH2 2.85Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.45Å; R32-I36 WeakPolarHBondContact O-CD1 3.49Å; R32-I36 WeakPolarHBondContact O-CG1 3.23Å
33H94.9Very high91.4Very high40 Ų4097.3 Ų97.319%0.18546%0.462CS..Hα-helixtrans-72.3-45-177.5178.381.7000113.2C18 C21 F25 V29 L30 I36 C37C18-H33 PolarHBondContact SG-CD2 3.33Å; C21-H33 PolarHBondContact SG-NE2 3.36Å; C21-H33 VanDerWaalsContact SG-NE2 3.38Å; F25-H33 HydrophobicContact CD2-CB 4.43Å; F25-H33 AromaticContact CD2-CD2 3.9Å; F25-H33 HydrophobicContact CE2-CB 4.33Å; F25-H33 AromaticContact CE2-CD2 3.27Å; F25-H33 WeakPolarHBondContact CE2-CD2 3.4Å; F25-H33 AromaticContact CE2-CE1 3.63Å; F25-H33 AromaticContact CE2-CG 3.54Å; F25-H33 AromaticContact CE2-ND1 3.75Å; F25-H33 AromaticContact CE2-NE2 3.35Å; F25-H33 VanDerWaalsContact CE2-NE2 3.35Å; F25-H33 WeakPolarHBondContact CE2-NE2 3.4Å; F25-H33 AromaticContact CZ-CD2 3.82Å; F25-H33 AromaticContact CZ-CE1 3.42Å; F25-H33 VanDerWaalsContact CZ-CE1 3.42Å; F25-H33 WeakPolarHBondContact CZ-CE1 3.46Å; F25-H33 AromaticContact CZ-CG 3.7Å; F25-H33 AromaticContact CZ-ND1 3.44Å; F25-H33 WeakPolarHBondContact CZ-ND1 3.38Å; F25-H33 AromaticContact CZ-NE2 3.66Å; V29-H33 WeakPolarHBondContact O-CB 3.45Å; V29-H33 PolarHBondContact O-N 3.24Å; L30-H33 PolarHBondContact O-N 3.48Å; H33-I36 PolarHBondContact O-N 3.17Å; H33-I36 VanDerWaalsContact O-N 3.12Å; H33-C37 WeakPolarHBondContact NE2-CB 3.35Å; H33-C37 PolarHBondContact NE2-SG 3.44Å; H33-C37 VanDerWaalsContact NE2-SG 3.45Å; H33-C37 VanDerWaalsContact O-CB 3.27Å; H33-C37 WeakPolarHBondContact O-CB 3.44Å; H33-C37 PolarHBondContact O-N 2.88Å
34G91.9Very high91Very high24 Ų2498.8 Ų98.825%0.24747%0.473CS..Hα-helixtrans-46.4-57.5-176.100000115L30 I36 C37 K38L30-G34 PolarHBondContact O-N 2.8Å; G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 3.12Å; G34-C37 PolarHBondContact O-N 2.83Å; G34-K38 WeakPolarHBondContact O-CB 3.27Å; G34-K38 PolarHBondContact O-N 2.95Å
35P93.3Very high90.5Very high66 Ų66102.1 Ų102.143%0.42949%0.486SS..Hα-helixtrans-68.2-29.5-178.826.8-34000112.9E31 K39E31-P35 WeakPolarHBondContact O-CD 3.25Å; P35-K39 WeakPolarHBondContact O-CB 3.38Å; P35-K39 VanDerWaalsContact O-CD 3.24Å; P35-K39 WeakPolarHBondContact O-CD 3.36Å; P35-K39 WeakPolarHBondContact O-CG 3.39Å; P35-K39 PolarHBondContact O-N 3.43Å
36I92.7Very high90.1Very high98 Ų98109.6 Ų109.650%0.50352%0.519SS..Hα-helixtrans-72.3-45.8175.6-61.4174.7000110R32 H33 G34 K39 L40R32-I36 WeakPolarHBondContact O-CD1 3.49Å; R32-I36 WeakPolarHBondContact O-CG1 3.23Å; H33-I36 PolarHBondContact O-N 3.17Å; H33-I36 VanDerWaalsContact O-N 3.12Å; G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 3.12Å; I36-K39 PolarHBondContact O-N 3.07Å; I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.39Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 2.99Å
37C93.4Very high90Very high11 Ų11115 Ų1157%0.07455%0.552CS.*Hα-helixtrans-61.2-50.9179.3-169.60000111.5H33 G34 K39 L40 F41H33-C37 WeakPolarHBondContact NE2-CB 3.35Å; H33-C37 PolarHBondContact NE2-SG 3.44Å; H33-C37 VanDerWaalsContact NE2-SG 3.45Å; H33-C37 VanDerWaalsContact O-CB 3.27Å; H33-C37 WeakPolarHBondContact O-CB 3.44Å; H33-C37 PolarHBondContact O-N 2.88Å; G34-C37 PolarHBondContact O-N 2.83Å; C37-K39 VanDerWaalsContact C-N 3.25Å; C37-K39 PolarHBondContact O-N 3.09Å; C37-L40 PolarHBondContact O-N 3.33Å; C37-F41 WeakPolarHBondContact O-CB 3.42Å; C37-F41 PolarHBondContact O-N 3.29Å
38K91.4Very high89.9Confident146 Ų146118.8 Ų118.864%0.63556%0.557SS**Hα-helixtrans-58-35.6176.1-165.1167.2-173.8166.40112.5V20 G34V20-K38 HydrophobicContact CG2-CB 4.26Å; V20-K38 HydrophobicContact CG2-CG 4.45Å; G34-K38 WeakPolarHBondContact O-CB 3.27Å; G34-K38 PolarHBondContact O-N 2.95Å
39K90.1Very high89.7Confident142 Ų142119.3 Ų119.362%0.61756%0.56SS**Hα-helixtrans-71.8-33.9174.5-75.4168.9-169.8173.70113.5P35 I36 C37 R43P35-K39 WeakPolarHBondContact O-CB 3.38Å; P35-K39 VanDerWaalsContact O-CD 3.24Å; P35-K39 WeakPolarHBondContact O-CD 3.36Å; P35-K39 WeakPolarHBondContact O-CG 3.39Å; P35-K39 PolarHBondContact O-N 3.43Å; I36-K39 PolarHBondContact O-N 3.07Å; C37-K39 VanDerWaalsContact C-N 3.25Å; C37-K39 PolarHBondContact O-N 3.09Å; K39-R43 WeakPolarHBondContact O-CG 3.32Å
40L89.7Confident89.4Confident109 Ų109118.5 Ų118.557%0.57156%0.558SS**Hα-helixtrans-98-35.8-171.7-69.8-179.7000115I36 C37 N42 R43I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.39Å; I36-L40 WeakPolarHBondContact O-CB 3.39Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 2.99Å; C37-L40 PolarHBondContact O-N 3.33Å; L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 2.86Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 3.28Å
41F87.6Confident89Confident128 Ų128121.6 Ų121.656%0.56157%0.574SS**THydrogen-bonded Turntrans-57.3-42.6-171.2-172.7-100.4000112.8V20 C21 C37V20-F41 HydrophobicContact CG1-CB 3.42Å; V20-F41 VanDerWaalsContact CG1-CB 3.42Å; V20-F41 HydrophobicContact CG1-CD1 3.77Å; V20-F41 HydrophobicContact CG1-CD2 4.14Å; V20-F41 HydrophobicContact CG1-CG 3.53Å; V20-F41 WeakPolarHBondContact O-CD2 3.44Å; V20-F41 VanDerWaalsContact O-CE2 3.23Å; V20-F41 WeakPolarHBondContact O-CE2 3.06Å; V20-F41 VanDerWaalsContact O-CZ 3.25Å; V20-F41 WeakPolarHBondContact O-CZ 3.45Å; C21-F41 HydrophobicContact CB-CD2 4.11Å; C21-F41 HydrophobicContact CB-CE2 4.17Å; C37-F41 WeakPolarHBondContact O-CB 3.42Å; C37-F41 PolarHBondContact O-N 3.29Å
42N84.1Confident88.5Confident128 Ų128120.4 Ų120.468%0.68457%0.566SS**THydrogen-bonded Turntrans-83.6-5.3178.3-64.9-37.6000113.8L40 K44L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 2.86Å; N42-K44 PolarHBondContact O-N 3.42Å
43R85.4Confident88.1Confident194 Ų194118.1 Ų118.173%0.73256%0.562SS**  trans-8890.2-179.5-65.6-79.4-176153.6-0.3110.6K39 L40 R45K39-R43 WeakPolarHBondContact O-CG 3.32Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 3.28Å; R43-R45 PolarHBondContact O-N 3.19Å
44K83.2Confident87.5Confident204 Ų204123.9 Ų123.989%0.88758%0.583SS**  trans-55.5110.7164.9-65-177.6-178.1178.40109.1N42 K46N42-K44 PolarHBondContact O-N 3.42Å; K44-K46 PolarHBondContact O-N 3.47Å
45R83.6Confident87Confident233 Ų233127.6 Ų127.688%0.87960%0.596SS**PPolyproline II helixtrans-59.8132.7177.7-68-177.9179.7179.4-0.8108.9R43R43-R45 PolarHBondContact O-N 3.19Å
46K84.9Confident86.1Confident198 Ų198131.3 Ų131.386%0.86161%0.608SS**PPolyproline II helixtrans-62.5131.2175.6-67.2-179179179.10108.8K44 F48K44-K46 PolarHBondContact O-N 3.47Å; K46-F48 PolarHBondContact O-N 3.24Å
47P90.4Very high84.8Confident128 Ų128131.5 Ų131.583%0.83162%0.617SS**PPolyproline II helixtrans-53.8132.3176.6-28.235.8000111.4N49P47-N49 PolarHBondContact O-N 3.03Å
48F87.3Confident83.5Confident141 Ų141134 Ų13462%0.61863%0.631SS**  trans-72.5115.5-174.2176.3-113.1000111.4K46 S50 Q53K46-F48 PolarHBondContact O-N 3.24Å; F48-S50 PolarHBondContact O-N 2.82Å; F48-Q53 HydrophobicContact CE2-CB 3.82Å; F48-Q53 HydrophobicContact CE2-CG 4.47Å; F48-Q53 HydrophobicContact CZ-CB 3.69Å; F48-Q53 HydrophobicContact CZ-CG 4.29Å
49N87.4Confident82Confident93 Ų93135.2 Ų135.250%0.49765%0.645SS.*  trans-94.898.1179-170.6-43.5000110.5P47 L51 K52 Q53P47-N49 PolarHBondContact O-N 3.03Å; N49-L51 PolarHBondContact O-N 2.82Å; N49-L51 WeakPolarHBondContact OD1-CB 3.42Å; N49-L51 PolarHBondContact OD1-N 3.21Å; N49-L51 VanDerWaalsContact OD1-N 3.11Å; N49-K52 HydrophobicContact CB-CB 4.05Å; N49-K52 PolarHBondContact O-N 2.85Å; N49-K52 VanDerWaalsContact O-N 3.09Å; N49-K52 PolarHBondContact OD1-N 3.43Å; N49-Q53 PolarHBondContact O-N 2.98Å; N49-Q53 VanDerWaalsContact O-N 3.07Å
50S86.4Confident80.7Confident53 Ų53133.4 Ų133.437%0.37164%0.641SS.*Hα-helixtrans-68.9-16.3-178.172.40000114.5F48 R54F48-S50 PolarHBondContact O-N 2.82Å; S50-R54 WeakPolarHBondContact O-CG 3.29Å; S50-R54 PolarHBondContact O-N 3.38Å; S50-R54 PolarHBondContact O-NE 3.49Å; S50-R54 PolarHBondContact OG-NH2 2.88Å
51L84.3Confident79.2Confident106 Ų106133.8 Ų133.856%0.55565%0.65SS**Hα-helixtrans-74.6-45.3168.4177.464.6000109.8N49 R54 L55N49-L51 PolarHBondContact O-N 2.82Å; N49-L51 WeakPolarHBondContact OD1-CB 3.42Å; N49-L51 PolarHBondContact OD1-N 3.21Å; N49-L51 VanDerWaalsContact OD1-N 3.11Å; L51-R54 PolarHBondContact O-N 3.5Å; L51-L55 HydrophobicContact CD1-CD1 4.05Å; L51-L55 HydrophobicContact CD1-CG 4.28Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 3.07Å
52K82.4Confident77.8Confident127 Ų127133.7 Ų133.755%0.55266%0.66SS**Hα-helixtrans-62.2-45.4178-174.2172.1176.9175.20112.1N49 R54 L55 Q56N49-K52 HydrophobicContact CB-CB 4.05Å; N49-K52 PolarHBondContact O-N 2.85Å; N49-K52 VanDerWaalsContact O-N 3.09Å; N49-K52 PolarHBondContact OD1-N 3.43Å; K52-R54 PolarHBondContact O-N 3.36Å; K52-L55 PolarHBondContact O-N 3.33Å; K52-Q56 HydrophobicContact CG-CG 4.45Å; K52-Q56 WeakPolarHBondContact O-CG 3.4Å; K52-Q56 PolarHBondContact O-N 3.03Å
53Q85.1Confident76.6Confident111 Ų111132.9 Ų132.952%0.51966%0.66SS.*Hα-helixtrans-63-41.5177.6-178.5170.1-4200111.8F48 N49 L55 Q56 C57F48-Q53 HydrophobicContact CE2-CB 3.82Å; F48-Q53 HydrophobicContact CE2-CG 4.47Å; F48-Q53 HydrophobicContact CZ-CB 3.69Å; F48-Q53 HydrophobicContact CZ-CG 4.29Å; N49-Q53 PolarHBondContact O-N 2.98Å; N49-Q53 VanDerWaalsContact O-N 3.07Å; Q53-L55 PolarHBondContact O-N 2.7Å; Q53-Q56 PolarHBondContact O-N 3.08Å; Q53-Q56 VanDerWaalsContact O-N 3.13Å; Q53-C57 PolarHBondContact O-N 2.9Å
54R82.6Confident75.2Confident162 Ų162132.8 Ų132.861%0.61166%0.664SS**Hα-helixtrans-59.2-47175.9-82.7178.9-86.1-157.1-3.1111.7S50 L51 K52 Q56 C57 T58S50-R54 WeakPolarHBondContact O-CG 3.29Å; S50-R54 PolarHBondContact O-N 3.38Å; S50-R54 PolarHBondContact O-NE 3.49Å; S50-R54 PolarHBondContact OG-NH2 2.88Å; L51-R54 PolarHBondContact O-N 3.5Å; K52-R54 PolarHBondContact O-N 3.36Å; R54-Q56 PolarHBondContact O-N 2.78Å; R54-C57 PolarHBondContact O-N 2.82Å; R54-C57 VanDerWaalsContact O-N 3.16Å; R54-T58 PolarHBondContact O-OG1 2.78Å
55L81.3Confident73.9Confident102 Ų102132.4 Ų132.453%0.53466%0.663SS.*Hα-helixtrans-66.4-17.9176.7-68172.2000114.4L51 K52 Q53L51-L55 HydrophobicContact CD1-CD1 4.05Å; L51-L55 HydrophobicContact CD1-CG 4.28Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 3.07Å; K52-L55 PolarHBondContact O-N 3.33Å; Q53-L55 PolarHBondContact O-N 2.7Å
56Q74.1Confident72.6Confident143 Ų143127 Ų12767%0.66866%0.656SS**Hα-helixtrans-93.2-5.6174.6-72.4-162.4-101.700114.2K52 Q53 R54K52-Q56 HydrophobicContact CG-CG 4.45Å; K52-Q56 WeakPolarHBondContact O-CG 3.4Å; K52-Q56 PolarHBondContact O-N 3.03Å; Q53-Q56 PolarHBondContact O-N 3.08Å; Q53-Q56 VanDerWaalsContact O-N 3.13Å; R54-Q56 PolarHBondContact O-N 2.78Å
57C65.5Low71.2Confident102 Ų102123 Ų12369%0.68965%0.651SS**SBendtrans-112.314.5175.4-63.60000112.4Q53 R54Q53-C57 PolarHBondContact O-N 2.9Å; R54-C57 PolarHBondContact O-N 2.82Å; R54-C57 VanDerWaalsContact O-N 3.16Å
58T66.4Low69.6Low63 Ų63126 Ų12639%0.38765%0.653SS.*SBendtrans-142.3119.2178.559.10000110.2R54 I60R54-T58 PolarHBondContact O-OG1 2.78Å; T58-I60 PolarHBondContact O-N 3.2Å
59D61.1Low68.3Low173 Ų173124.5 Ų124.593%0.92566%0.66SS**  trans-73.956.6171.3-78.5-71000112.3
60I62.4Low67Low104 Ų104129.7 Ų129.753%0.53368%0.678SS.*  trans-104.9107.9174.7-61.9174.6000107.2T58 T62 V63T58-I60 PolarHBondContact O-N 3.2Å; I60-T62 PolarHBondContact O-N 2.95Å; I60-V63 HydrophobicContact CG2-CG2 3.99Å
61P57.5Low65.7Low117 Ų117132 Ų13276%0.7670%0.695SS**  trans-54.6130.3178.4-26.735.1000111.2V63P61-V63 PolarHBondContact O-N 3.41Å
62T59.3Low64.9Low125 Ų125132.1 Ų132.177%0.76770%0.702SS**  trans-25.996.6-174.8-58.20000113.6I60 K64I60-T62 PolarHBondContact O-N 2.95Å; T62-K64 PolarHBondContact O-N 2.95Å
63V57.6Low64.2Low112 Ų112131.6 Ų131.668%0.67971%0.711SS**  trans-56.9117.6170.8178.30000106.8I60 P61 K65I60-V63 HydrophobicContact CG2-CG2 3.99Å; P61-V63 PolarHBondContact O-N 3.41Å; V63-K65 PolarHBondContact O-N 2.89Å; V63-K65 VanDerWaalsContact O-N 3.09Å
64K55.8Low63.2Low191 Ų191132.9 Ų132.983%0.8373%0.726SS**  trans-50.5121.3-176.5-66178.6-178.2177.60108T62 T66T62-K64 PolarHBondContact O-N 2.95Å; K64-T66 PolarHBondContact O-N 2.64Å
65K55.9Low62.5Low196 Ų196133 Ų13385%0.85273%0.727SS**  trans-60.4102.9176-69.7176.5-177.6171.20107.6V63V63-K65 PolarHBondContact O-N 2.89Å; V63-K65 VanDerWaalsContact O-N 3.09Å
66T56.8Low62Low121 Ų121137.4 Ų137.474%0.74274%0.741SS**  trans-48.4125.5164.7-54.50000106.8K64 Q68K64-T66 PolarHBondContact O-N 2.64Å; T66-Q68 PolarHBondContact O-N 2.81Å
67P55.1Low61.9Low114 Ų114134.9 Ų134.974%0.7474%0.74SS**  trans-55.4129.4179.423.3-33.1000107.6S69P67-S69 PolarHBondContact O-N 2.79Å
68Q57.3Low62.6Low191 Ų191132.3 Ų132.389%0.89372%0.719SS**  trans-57115.6179.4-74.6-176.1-14.200107.7T66 K70T66-Q68 PolarHBondContact O-N 2.81Å; Q68-K70 PolarHBondContact O-N 2.84Å
69S61.1Low63.4Low109 Ų109135.8 Ų135.876%0.76273%0.725SS**  trans-53.6131.5169.143.40000107.2P67 S71P67-S69 PolarHBondContact O-N 2.79Å; S69-S71 PolarHBondContact O-N 3.35Å; S69-S71 VanDerWaalsContact O-N 3.08Å
70K59Low64.6Low202 Ų202134.9 Ų134.988%0.87871%0.709SS**  trans-42.7121.1-173.5-63.5176.8-177.6177.50108.5Q68 P72Q68-K70 PolarHBondContact O-N 2.84Å; K70-P72 VanDerWaalsContact O-N 3.14Å
71S59.9Low65.6Low102 Ų102133.6 Ų133.671%0.71370%0.701SS**PPolyproline II helixtrans-49.3125-176.650.90000108.6S69S69-S71 PolarHBondContact O-N 3.35Å; S69-S71 VanDerWaalsContact O-N 3.08Å
72P66.3Low66.8Low108 Ų108132.4 Ų132.470%0.70169%0.685SS**PPolyproline II helixtrans-54.9142.8-177.322.5-33.1000109.1K70 V74K70-P72 VanDerWaalsContact O-N 3.14Å; P72-V74 PolarHBondContact O-N 2.8Å
73P69Low68.3Low116 Ų116131 Ų13175%0.75367%0.67SS**PPolyproline II helixtrans-52.5131.6-173.922.5-33.8000109.3R75P73-R75 PolarHBondContact O-N 2.76Å
74V63.6Low69.9Low137 Ų137130.8 Ų130.883%0.8366%0.661SS**  trans-57.5100.4-172.1-179.40000108.7P72 K76P72-V74 PolarHBondContact O-N 2.8Å; V74-K76 PolarHBondContact O-N 3.28Å; V74-K76 VanDerWaalsContact O-N 3.08Å
75R67.4Low71.4Confident164 Ų164123.7 Ų123.762%0.61963%0.632SS**  trans-61118.9-176.3-70.9-161.2-65.4-156.5-0.9107.7P73 S77 E130P73-R75 PolarHBondContact O-N 2.76Å; R75-S77 PolarHBondContact O-N 2.89Å; R75-E130 WeakPolarHBondContact CD-OE2 3.24Å; R75-E130 IonicContact CZ-OE2 3.28Å; R75-E130 IonicContact NE-OE2 2.75Å; R75-E130 IonicContact NH1-OE2 3.28Å; R75-E130 PolarHBondContact NH1-OE2 2.78Å
76K70.9Confident73Confident195 Ų195120.6 Ų120.685%0.84862%0.619SS**  trans-62104.3-174.5-59.4175.7-173.81760107.5V74 N78V74-K76 PolarHBondContact O-N 3.28Å; V74-K76 VanDerWaalsContact O-N 3.08Å; K76-N78 PolarHBondContact O-N 3.34Å
77S72.4Confident74.7Confident91 Ų91117.3 Ų117.364%0.63660%0.597SS**  trans-62.1107.6-174.4-177.30000109.9R75 W79R75-S77 PolarHBondContact O-N 2.89Å; S77-W79 PolarHBondContact O-N 3.45Å
78N79.9Confident76.4Confident48 Ų48115.5 Ų115.526%0.25758%0.58SS.*  trans-80.942-175-1614.9000112.2K76 R80 Q81 Q82K76-N78 PolarHBondContact O-N 3.34Å; N78-R80 VanDerWaalsContact C-N 3.26Å; N78-R80 PolarHBondContact O-N 3.1Å; N78-Q81 PolarHBondContact ND2-OE1 3.34Å; N78-Q81 PolarHBondContact O-N 3.05Å; N78-Q81 VanDerWaalsContact OD1-CB 3.25Å; N78-Q81 WeakPolarHBondContact OD1-CB 3.38Å; N78-Q82 WeakPolarHBondContact O-CG 3.19Å; N78-Q82 PolarHBondContact O-N 3.18Å
79W82.6Confident77.9Confident135 Ų135110 Ų11051%0.51156%0.56SS.*Hα-helixtrans-64.4-29.8-171.275.6-93.9000112.6S77 H83S77-W79 PolarHBondContact O-N 3.45Å; W79-H83 HydrophobicContact CE3-CB 4.41Å; W79-H83 WeakPolarHBondContact O-CB 3.12Å; W79-H83 PolarHBondContact O-N 3.43Å
80R87.3Confident79.4Confident155 Ų155108.3 Ų108.359%0.58554%0.542SS*.Hα-helixtrans-64.9-52177.7-67.3-173.6179.3-83.43.3110.8N78 Q82 H83 E84N78-R80 VanDerWaalsContact C-N 3.26Å; N78-R80 PolarHBondContact O-N 3.1Å; R80-Q82 PolarHBondContact O-N 3.5Å; R80-H83 PolarHBondContact O-N 2.69Å; R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 WeakPolarHBondContact O-CG 3.26Å; R80-E84 PolarHBondContact O-N 3.28Å
81Q83.5Confident80.9Confident77 Ų77105.9 Ų105.936%0.3653%0.527SS..Hα-helixtrans-62.9-43176.9-169.5174.4300111.4N78 H83 E84 D85N78-Q81 PolarHBondContact ND2-OE1 3.34Å; N78-Q81 PolarHBondContact O-N 3.05Å; N78-Q81 VanDerWaalsContact OD1-CB 3.25Å; N78-Q81 WeakPolarHBondContact OD1-CB 3.38Å; Q81-H83 VanDerWaalsContact C-N 3.29Å; Q81-H83 PolarHBondContact O-N 3.12Å; Q81-E84 PolarHBondContact O-N 3.42Å; Q81-D85 VanDerWaalsContact O-CB 3.32Å; Q81-D85 WeakPolarHBondContact O-CB 3.37Å; Q81-D85 PolarHBondContact O-N 3.31Å
82Q83.4Confident82.3Confident91 Ų91102.5 Ų102.543%0.42550%0.503SS..Hα-helixtrans-61.2-36.1176-69.6171.4-100112.7N78 R80 F86N78-Q82 WeakPolarHBondContact O-CG 3.19Å; N78-Q82 PolarHBondContact O-N 3.18Å; R80-Q82 PolarHBondContact O-N 3.5Å; Q82-F86 VanDerWaalsContact O-CB 3.27Å; Q82-F86 WeakPolarHBondContact O-CB 3.47Å; Q82-F86 PolarHBondContact O-N 3.25Å; Q82-F86 VanDerWaalsContact O-N 3.12Å
83H90.5Very high83.4Confident96 Ų9699.9 Ų99.944%0.44449%0.491SS..Hα-helixtrans-72.9-41176.2179.869.6000112.3W79 R80 Q81 F86 I87W79-H83 HydrophobicContact CE3-CB 4.41Å; W79-H83 WeakPolarHBondContact O-CB 3.12Å; W79-H83 PolarHBondContact O-N 3.43Å; R80-H83 PolarHBondContact O-N 2.69Å; Q81-H83 VanDerWaalsContact C-N 3.29Å; Q81-H83 PolarHBondContact O-N 3.12Å; H83-F86 PolarHBondContact O-N 3.22Å; H83-I87 WeakPolarHBondContact NE2-CD1 3.25Å; H83-I87 WeakPolarHBondContact O-CB 3.35Å; H83-I87 WeakPolarHBondContact O-CG1 3.46Å; H83-I87 PolarHBondContact O-N 2.8Å
84E90.6Very high84.4Confident108 Ų108101 Ų10151%0.50548%0.484SS..Hα-helixtrans-66.8-45176.1-73.6163.7-159.500111.5R80 Q81 F86 I87 N88R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 WeakPolarHBondContact O-CG 3.26Å; R80-E84 PolarHBondContact O-N 3.28Å; Q81-E84 PolarHBondContact O-N 3.42Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.36Å; E84-I87 PolarHBondContact O-N 3.07Å; E84-N88 VanDerWaalsContact O-CB 3.28Å; E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 PolarHBondContact O-N 3.28Å; E84-N88 PolarHBondContact O-ND2 3.49Å
85D87.4Confident85.5Confident42 Ų4299.9 Ų99.923%0.22547%0.47CS..Hα-helixtrans-58.6-42.8173-79.3-11.1000111.7Q81 N88 T89Q81-D85 VanDerWaalsContact O-CB 3.32Å; Q81-D85 WeakPolarHBondContact O-CB 3.37Å; Q81-D85 PolarHBondContact O-N 3.31Å; D85-N88 PolarHBondContact O-N 2.75Å; D85-T89 WeakPolarHBondContact O-CB 3.24Å; D85-T89 PolarHBondContact O-N 2.76Å; D85-T89 PolarHBondContact O-OG1 2.84Å
86F88.9Confident86.4Confident131 Ų13193.8 Ų93.858%0.57545%0.452SS*.Hα-helixtrans-64.1-47.2176.1175.4-104.2000112.2Q82 H83 E84 N88 T89 I90Q82-F86 VanDerWaalsContact O-CB 3.27Å; Q82-F86 WeakPolarHBondContact O-CB 3.47Å; Q82-F86 PolarHBondContact O-N 3.25Å; Q82-F86 VanDerWaalsContact O-N 3.12Å; H83-F86 PolarHBondContact O-N 3.22Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.36Å; F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 3.35Å; F86-T89 PolarHBondContact O-N 2.88Å; F86-I90 HydrophobicContact CD1-CD1 4.14Å; F86-I90 HydrophobicContact CE1-CD1 3.56Å; F86-I90 HydrophobicContact CE2-CD1 4.02Å; F86-I90 HydrophobicContact CZ-CD1 3.51Å; F86-I90 PolarHBondContact O-N 3.35Å
87I92.9Very high87.1Confident52 Ų5289 Ų8927%0.26744%0.439SS..Hα-helixtrans-61.6-43.4175.6-75.1174.7000110.9H83 E84 I90 R91H83-I87 WeakPolarHBondContact NE2-CD1 3.25Å; H83-I87 WeakPolarHBondContact O-CB 3.35Å; H83-I87 WeakPolarHBondContact O-CG1 3.46Å; H83-I87 PolarHBondContact O-N 2.8Å; E84-I87 PolarHBondContact O-N 3.07Å; I87-I90 PolarHBondContact O-N 3.45Å; I87-R91 HydrophobicContact CG2-CG 4.41Å; I87-R91 WeakPolarHBondContact O-CG 3.16Å; I87-R91 PolarHBondContact O-N 3.23Å
88N90.7Very high87.8Confident75 Ų7588.2 Ų88.240%0.40143%0.428SS..Hα-helixtrans-63.8-41.5178.2-73.2-26.8000111.5E84 D85 F86 I90 R91 S92E84-N88 VanDerWaalsContact O-CB 3.28Å; E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 PolarHBondContact O-N 3.28Å; E84-N88 PolarHBondContact O-ND2 3.49Å; D85-N88 PolarHBondContact O-N 2.75Å; F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 3.35Å; N88-I90 VanDerWaalsContact C-N 3.33Å; N88-I90 PolarHBondContact O-N 3.28Å; N88-R91 WeakPolarHBondContact O-CB 3.08Å; N88-R91 PolarHBondContact O-N 2.75Å; N88-R91 PolarHBondContact OD1-NH1 3.41Å; N88-S92 PolarHBondContact O-N 3.32Å; N88-S92 PolarHBondContact O-OG 2.99Å; N88-S92 VanDerWaalsContact O-OG 3.12Å
89T88.6Confident88.1Confident77 Ų7786.4 Ų86.447%0.47242%0.419SS..Hα-helixtrans-59.4-42.3174.2-56.90000111.7D85 F86 S92 A93D85-T89 WeakPolarHBondContact O-CB 3.24Å; D85-T89 PolarHBondContact O-N 2.76Å; D85-T89 PolarHBondContact O-OG1 2.84Å; F86-T89 PolarHBondContact O-N 2.88Å; T89-S92 WeakPolarHBondContact CA-OG 3.42Å; T89-S92 PolarHBondContact O-OG 2.89Å; T89-A93 WeakPolarHBondContact O-CB 3.15Å; T89-A93 PolarHBondContact O-N 2.83Å
90I92.1Very high88.3Confident73 Ų7385.6 Ų85.637%0.37442%0.423SS..Hα-helixtrans-67.4-40.8175.4-70.5175.2000111.5F86 I87 N88 K94F86-I90 HydrophobicContact CD1-CD1 4.14Å; F86-I90 HydrophobicContact CE1-CD1 3.56Å; F86-I90 HydrophobicContact CE2-CD1 4.02Å; F86-I90 HydrophobicContact CZ-CD1 3.51Å; F86-I90 PolarHBondContact O-N 3.35Å; I87-I90 PolarHBondContact O-N 3.45Å; N88-I90 VanDerWaalsContact C-N 3.33Å; N88-I90 PolarHBondContact O-N 3.28Å; I90-K94 HydrophobicContact CG2-CD 4.44Å; I90-K94 WeakPolarHBondContact O-CG 3.14Å; I90-K94 PolarHBondContact O-N 3.48Å; I90-K94 VanDerWaalsContact O-N 3.12Å
91R92.1Very high88.2Confident150 Ų15086.8 Ų86.857%0.56643%0.433SS*.Hα-helixtrans-60.8-50.6175.5-71.9170-179.5156.1-4.7110.8I87 N88 A93 K94 Q95I87-R91 HydrophobicContact CG2-CG 4.41Å; I87-R91 WeakPolarHBondContact O-CG 3.16Å; I87-R91 PolarHBondContact O-N 3.23Å; N88-R91 WeakPolarHBondContact O-CB 3.08Å; N88-R91 PolarHBondContact O-N 2.75Å; N88-R91 PolarHBondContact OD1-NH1 3.41Å; R91-A93 PolarHBondContact O-N 3.05Å; R91-K94 PolarHBondContact O-N 2.78Å; R91-Q95 WeakPolarHBondContact O-CG 3.1Å; R91-Q95 PolarHBondContact O-N 2.78Å
92S89.1Confident88.4Confident31 Ų3189.4 Ų89.422%0.21745%0.445CS..Hα-helixtrans-62.8-41.8179.854.80000112N88 T89 K94 Q95 C96N88-S92 PolarHBondContact O-N 3.32Å; N88-S92 PolarHBondContact O-OG 2.99Å; N88-S92 VanDerWaalsContact O-OG 3.12Å; T89-S92 WeakPolarHBondContact CA-OG 3.42Å; T89-S92 PolarHBondContact O-OG 2.89Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.42Å; S92-Q95 PolarHBondContact O-N 2.82Å; S92-Q95 VanDerWaalsContact O-N 3.16Å; S92-C96 PolarHBondContact O-N 3.45Å; S92-C96 PolarHBondContact O-SG 3.05Å
93A88.1Confident88.2Confident54 Ų5488.4 Ų88.445%0.44646%0.459SS..Hα-helixtrans-58.1-44.6175.900000112T89 R91 C96 T97T89-A93 WeakPolarHBondContact O-CB 3.15Å; T89-A93 PolarHBondContact O-N 2.83Å; R91-A93 PolarHBondContact O-N 3.05Å; A93-C96 PolarHBondContact O-N 2.84Å; A93-T97 PolarHBondContact O-N 2.82Å; A93-T97 VanDerWaalsContact O-N 3.09Å; A93-T97 PolarHBondContact O-OG1 3.09Å; A93-T97 VanDerWaalsContact O-OG1 3.1Å
94K89.9Confident87.4Confident138 Ų13892.3 Ų92.360%0.647%0.47SS*.Hα-helixtrans-63.4-40.5175.2-72.1-180178.3-173.10112.6I90 R91 S92 T97 L98I90-K94 HydrophobicContact CG2-CD 4.44Å; I90-K94 WeakPolarHBondContact O-CG 3.14Å; I90-K94 PolarHBondContact O-N 3.48Å; I90-K94 VanDerWaalsContact O-N 3.12Å; R91-K94 PolarHBondContact O-N 2.78Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.42Å; K94-T97 PolarHBondContact O-N 3.2Å; K94-L98 WeakPolarHBondContact O-CG 3.31Å; K94-L98 PolarHBondContact O-N 3.05Å
95Q87.4Confident86.7Confident115 Ų11592.5 Ų92.554%0.53748%0.481SS..Hα-helixtrans-63.7-39.5176.3-68.7-63.8-27.600112R91 S92 L98 A99R91-Q95 WeakPolarHBondContact O-CG 3.1Å; R91-Q95 PolarHBondContact O-N 2.78Å; S92-Q95 PolarHBondContact O-N 2.82Å; S92-Q95 VanDerWaalsContact O-N 3.16Å; Q95-L98 PolarHBondContact O-N 3.22Å; Q95-A99 PolarHBondContact O-N 3.42Å
96C85.9Confident85.9Confident35 Ų3596 Ų9624%0.23650%0.499CS..Hα-helixtrans-60.4-44.6171.6-62.20000111.8S92 A93 L98 A99 I100S92-C96 PolarHBondContact O-N 3.45Å; S92-C96 PolarHBondContact O-SG 3.05Å; A93-C96 PolarHBondContact O-N 2.84Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 2.72Å; C96-A99 PolarHBondContact O-N 2.96Å; C96-I100 WeakPolarHBondContact O-CD1 3.2Å; C96-I100 VanDerWaalsContact O-CG1 3.26Å; C96-I100 WeakPolarHBondContact O-CG1 3.49Å; C96-I100 PolarHBondContact O-N 3.28Å
97T86.6Confident85.1Confident96 Ų9692.2 Ų92.259%0.58949%0.487SS*.Hα-helixtrans-63.1-38.1177.6-50.40000112.7A93 K94 K101A93-T97 PolarHBondContact O-N 2.82Å; A93-T97 VanDerWaalsContact O-N 3.09Å; A93-T97 PolarHBondContact O-OG1 3.09Å; A93-T97 VanDerWaalsContact O-OG1 3.1Å; K94-T97 PolarHBondContact O-N 3.2Å; T97-K101 PolarHBondContact O-N 2.87Å; T97-K101 VanDerWaalsContact O-N 3.15Å
98L87Confident84.2Confident74 Ų7495.1 Ų95.139%0.38751%0.51SS..Hα-helixtrans-66.6-48.3175.1-70.1173000111.5K94 Q95 C96 I100 K101 E102K94-L98 WeakPolarHBondContact O-CG 3.31Å; K94-L98 PolarHBondContact O-N 3.05Å; Q95-L98 PolarHBondContact O-N 3.22Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 2.72Å; L98-I100 VanDerWaalsContact C-N 3.3Å; L98-I100 PolarHBondContact O-N 3.34Å; L98-K101 PolarHBondContact O-N 3.19Å; L98-E102 WeakPolarHBondContact O-CB 3.49Å; L98-E102 WeakPolarHBondContact O-CG 3.35Å; L98-E102 PolarHBondContact O-N 2.81Å
99A85.1Confident83.2Confident9 Ų997 Ų977%0.07453%0.526CS..Hα-helixtrans-56.9-42.3177.800000112.5Q95 C96 K101 E102 G103 R104Q95-A99 PolarHBondContact O-N 3.42Å; C96-A99 PolarHBondContact O-N 2.96Å; A99-K101 PolarHBondContact O-N 3.11Å; A99-E102 PolarHBondContact O-N 3.47Å; A99-G103 PolarHBondContact O-N 2.82Å; A99-G103 VanDerWaalsContact O-N 3.1Å; A99-R104 HydrophobicContact CB-CB 4.42Å; A99-R104 PolarHBondContact O-N 2.79Å
100I86.2Confident82.4Confident118 Ų11896.8 Ų96.861%0.60553%0.526SS*.Hα-helixtrans-60-44.8174-67.9164.3000111.3C96 L98 G103 L106C96-I100 WeakPolarHBondContact O-CD1 3.2Å; C96-I100 VanDerWaalsContact O-CG1 3.26Å; C96-I100 WeakPolarHBondContact O-CG1 3.49Å; C96-I100 PolarHBondContact O-N 3.28Å; L98-I100 VanDerWaalsContact C-N 3.3Å; L98-I100 PolarHBondContact O-N 3.34Å; I100-G103 PolarHBondContact O-N 2.89Å; I100-L106 HydrophobicContact CD1-CD2 3.98Å; I100-L106 HydrophobicContact CG1-CD2 3.53Å
101K86.1Confident81.4Confident181 Ų18198.9 Ų98.979%0.78754%0.544SS*.Hα-helixtrans-68.4-34.4180-172.5-174.9175.5-170.50112.6T97 L98 A99 G103T97-K101 PolarHBondContact O-N 2.87Å; T97-K101 VanDerWaalsContact O-N 3.15Å; L98-K101 PolarHBondContact O-N 3.19Å; A99-K101 PolarHBondContact O-N 3.11Å; K101-G103 VanDerWaalsContact C-N 3.33Å
102E87.4Confident80.1Confident131 Ų13197 Ų9761%0.61255%0.551SS**THydrogen-bonded Turntrans-85.7-2.2-178.6-69.3167.7-164.400113.1L98 A99 R104L98-E102 WeakPolarHBondContact O-CB 3.49Å; L98-E102 WeakPolarHBondContact O-CG 3.35Å; L98-E102 PolarHBondContact O-N 2.81Å; A99-E102 PolarHBondContact O-N 3.47Å; E102-R104 PolarHBondContact O-N 3.01Å
103G79.8Confident78.9Confident70 Ų7098.4 Ų98.472%0.72256%0.561SS**THydrogen-bonded Turntrans67.913-176.400000114.1A99 I100 K101A99-G103 PolarHBondContact O-N 2.82Å; A99-G103 VanDerWaalsContact O-N 3.1Å; I100-G103 PolarHBondContact O-N 2.89Å; K101-G103 VanDerWaalsContact C-N 3.33Å
104R73.5Confident77.9Confident178 Ų178102.1 Ų102.167%0.67257%0.573SS**PPolyproline II helixtrans-80.8143.1-178.6-165175-175.3170.72109.7A99 E102 L106A99-R104 HydrophobicContact CB-CB 4.42Å; A99-R104 PolarHBondContact O-N 2.79Å; E102-R104 PolarHBondContact O-N 3.01Å; R104-L106 PolarHBondContact O-N 2.78Å
105P75.1Confident77Confident113 Ų11397.7 Ų97.773%0.73456%0.556SS**PPolyproline II helixtrans-50.7136172.719.1-33.5000111.4
106L71.6Confident76.1Confident116 Ų11695.8 Ų95.861%0.60755%0.553SS**PPolyproline II helixtrans-55.1134.8-177-71.6171000110.7I100 R104I100-L106 HydrophobicContact CD1-CD2 3.98Å; I100-L106 HydrophobicContact CG1-CD2 3.53Å; R104-L106 PolarHBondContact O-N 2.78Å
107P72.6Confident75.6Confident50 Ų5097.4 Ų97.433%0.32556%0.56SS.*PPolyproline II helixtrans-60.8145.2168.528.2-34.2000109.2
108P72.9Confident75.6Confident114 Ų11497.6 Ų97.674%0.7455%0.55SS**PPolyproline II helixtrans-57.8142.5178.824.7-33.9000110.1
109P70.7Confident75.6Confident114 Ų11497.7 Ų97.774%0.7455%0.551SS**PPolyproline II helixtrans-58.9135.7-176.524.3-33.8000110.2
110P70.3Confident75.9Confident72 Ų72101.7 Ų101.747%0.46857%0.567SS.*PPolyproline II helixtrans-59.6140.7-179.125.4-34.6000110.1
111P71Confident76.2Confident117 Ų11796 Ų9676%0.7654%0.539SS*.PPolyproline II helixtrans-52.6135.7177.5-27.835.4000111.3S113P111-S113 PolarHBondContact O-N 3.3Å
112P66.4Low76.5Confident111 Ų11191.6 Ų91.672%0.72153%0.528SS*.PPolyproline II helixtrans-55.2124.7178.5-25.834.4000110.8L114P112-L114 WeakPolarHBondContact O-CG 3.45Å; P112-L114 PolarHBondContact O-N 2.87Å
113S64.3Low76.7Confident60 Ų6090.1 Ų90.142%0.4252%0.518SS..  trans-62.6105.3-173.848.80000111P111 N115P111-S113 PolarHBondContact O-N 3.3Å; S113-N115 PolarHBondContact O-N 3.46Å; S113-N115 PolarHBondContact O-ND2 3.2Å
114L66.1Low77.2Confident132 Ų13289 Ų8969%0.69150%0.498SS*.  trans-75.570.2-177.4-64.3-174.8000110.4P112 P116P112-L114 WeakPolarHBondContact O-CG 3.45Å; P112-L114 PolarHBondContact O-N 2.87Å; L114-P116 VanDerWaalsContact O-N 3.12Å
115N70.3Confident77.9Confident45 Ų4586.5 Ų86.524%0.24150%0.496CS..  trans-46.4118.9172.1-79.9-103.7000108.8S113 D117 Y118 R127S113-N115 PolarHBondContact O-N 3.46Å; S113-N115 PolarHBondContact O-ND2 3.2Å; N115-D117 VanDerWaalsContact C-N 3.3Å; N115-D117 PolarHBondContact O-N 2.91Å; N115-Y118 HydrophobicContact CB-CD2 3.74Å; N115-Y118 HydrophobicContact CB-CE2 4.18Å; N115-Y118 HydrophobicContact CB-CG 4.42Å; N115-Y118 PolarHBondContact O-N 3.02Å; N115-R127 PolarHBondContact O-NH2 2.81Å
116P69.4Low78.6Confident75 Ų7589.4 Ų89.449%0.48749%0.492SS..THydrogen-bonded Turntrans-70.7-27.7-171.125.7-33.5000112.4L114 Y118L114-P116 VanDerWaalsContact O-N 3.12Å; P116-Y118 PolarHBondContact O-N 3.35Å
117D75.9Confident79.4Confident69 Ų6988.1 Ų88.137%0.36948%0.479SS..THydrogen-bonded Turntrans-70.15.1-179.2-47.2-56.8000114.5N115N115-D117 VanDerWaalsContact C-N 3.3Å; N115-D117 PolarHBondContact O-N 2.91Å
118Y85.4Confident80.2Confident100 Ų10088.1 Ų88.139%0.39247%0.474SS..EExtended strand (participates in β ladder)trans-110.3102.9-173.2-85.1-113.8000112.2N115 P116 R127 F128N115-Y118 HydrophobicContact CB-CD2 3.74Å; N115-Y118 HydrophobicContact CB-CE2 4.18Å; N115-Y118 HydrophobicContact CB-CG 4.42Å; N115-Y118 PolarHBondContact O-N 3.02Å; P116-Y118 PolarHBondContact O-N 3.35Å; Y118-R127 HydrophobicContact CD1-CB 4.29Å; Y118-R127 PolarHBondContact O-NE 2.88Å; Y118-R127 PolarHBondContact O-NH2 3.18Å; Y118-F128 CarbonylContact C-O 3.56Å; Y118-F128 VanDerWaalsContact CA-O 3.26Å; Y118-F128 WeakPolarHBondContact CA-O 3.47Å
119I87.6Confident80.9Confident77 Ų7786 Ų8640%0.39546%0.457SS..EExtended strand (participates in β ladder)trans-73.2136.9175-59.6179000109.9R127 F128 E130 A133 I137I119-R127 CarbonylContact O-C 3.58Å; I119-R127 WeakPolarHBondContact O-CA 3.32Å; I119-F128 PolarHBondContact N-O 2.83Å; I119-F128 PolarHBondContact O-N 2.91Å; I119-E130 HydrophobicContact CD1-CB 4.42Å; I119-E130 HydrophobicContact CD1-CG 4.08Å; I119-E130 HydrophobicContact CG1-CG 4.49Å; I119-A133 HydrophobicContact CB-CB 3.89Å; I119-A133 HydrophobicContact CD1-CB 4.46Å; I119-A133 HydrophobicContact CG2-CB 4.25Å; I119-I137 HydrophobicContact CG2-CD1 4.15Å
120Q91.4Very high81.7Confident92 Ų9284.2 Ų84.243%0.4344%0.438SS..EExtended strand (participates in β ladder)trans-88.9130.3175.2-174.8166-23.400111M125 R127Q120-M125 VanDerWaalsContact NE2-CE 3.3Å; Q120-M125 PolarHBondContact NE2-SD 3.12Å; Q120-R127 HydrophobicContact CB-CG 4.16Å; Q120-R127 HydrophobicContact CG-CG 4.31Å
121C93.1Very high82.6Confident0 Ų084.1 Ų84.10%044%0.437CS..PPolyproline II helixtrans-75.7121.3174.8-179.90000110.4Y123 C124 M125 R126 F128 H136 I137C121-Y123 PolarHBondContact O-N 2.71Å; C121-C124 PolarHBondContact O-N 3.44Å; C121-M125 VanDerWaalsContact O-CA 3.29Å; C121-M125 WeakPolarHBondContact O-CA 3.37Å; C121-M125 PolarHBondContact O-N 3.3Å; C121-R126 WeakPolarHBondContact CB-O 3.27Å; C121-R126 PolarHBondContact N-O 2.87Å; C121-F128 HydrophobicContact CB-CD2 4.42Å; C121-F128 HydrophobicContact CB-CE2 4.14Å; C121-H136 PolarHBondContact SG-CD2 2.94Å; C121-H136 PolarHBondContact SG-NE2 3.43Å; C121-H136 VanDerWaalsContact SG-NE2 3.35Å; C121-I137 HydrophobicContact CB-CG1 4.17Å
122P92.2Very high83.6Confident88 Ų8880.3 Ų80.357%0.57142%0.415SS*.THydrogen-bonded Turntrans-68.5-17.6-177.327.9-35000113.4
123Y91.6Very high84.9Confident99 Ų9975 Ų7539%0.38838%0.381SS..THydrogen-bonded Turntrans-91.4-17.1-176-57.2-71000114.6C121 I137 K141 S144C121-Y123 PolarHBondContact O-N 2.71Å; Y123-I137 HydrophobicContact CD2-CG2 4.47Å; Y123-I137 HydrophobicContact CE2-CG2 4.15Å; Y123-K141 HydrophobicContact CD2-CB 3.92Å; Y123-K141 HydrophobicContact CE1-CB 4.37Å; Y123-K141 HydrophobicContact CE1-CG 4.22Å; Y123-K141 HydrophobicContact CE2-CB 3.46Å; Y123-K141 VanDerWaalsContact CE2-CB 3.46Å; Y123-K141 HydrophobicContact CE2-CD 4.39Å; Y123-K141 HydrophobicContact CE2-CG 3.94Å; Y123-S144 VanDerWaalsContact CD1-OG 3.24Å; Y123-S144 WeakPolarHBondContact CD1-OG 3.13Å
124C90.1Very high86.2Confident46 Ų4677.9 Ų77.931%0.31139%0.388SS..THydrogen-bonded Turntrans-145.36.8178.974.40000115.1C121 R126 H136C121-C124 PolarHBondContact O-N 3.44Å; C124-R126 PolarHBondContact O-N 3.44Å; C124-H136 PolarHBondContact SG-NE2 3.48Å
125M88.3Confident87.5Confident127 Ų12781.3 Ų81.363%0.62639%0.391SS*.  trans58.33.3178.7-54.6-59.6-102.800116.4Q120 C121Q120-M125 VanDerWaalsContact NE2-CE 3.3Å; Q120-M125 PolarHBondContact NE2-SD 3.12Å; C121-M125 VanDerWaalsContact O-CA 3.29Å; C121-M125 WeakPolarHBondContact O-CA 3.37Å; C121-M125 PolarHBondContact O-N 3.3Å
126R88.7Confident88.6Confident174 Ų17481.1 Ų81.166%0.65739%0.389SS*.  trans-72.3141.1173.5-63.8177.8-176.6-140.2-3.4110.5C121 C124 F128C121-R126 WeakPolarHBondContact CB-O 3.27Å; C121-R126 PolarHBondContact N-O 2.87Å; C124-R126 PolarHBondContact O-N 3.44Å; R126-F128 HydrophobicContact CB-CD2 4.42Å; R126-F128 HydrophobicContact CB-CE2 3.45Å; R126-F128 VanDerWaalsContact CB-CE2 3.45Å; R126-F128 HydrophobicContact CB-CZ 3.59Å; R126-F128 WeakPolarHBondContact O-CD2 3.29Å; R126-F128 WeakPolarHBondContact O-CE2 3.43Å
127R88.6Confident89.8Confident88 Ų8879.7 Ų79.733%0.33238%0.377SS..EExtended strand (participates in β ladder)trans-97.4138.8177.7-58-173.570.4-142.30.9111N115 Y118 I119 Q120N115-R127 PolarHBondContact O-NH2 2.81Å; Y118-R127 HydrophobicContact CD1-CB 4.29Å; Y118-R127 PolarHBondContact O-NE 2.88Å; Y118-R127 PolarHBondContact O-NH2 3.18Å; I119-R127 CarbonylContact O-C 3.58Å; I119-R127 WeakPolarHBondContact O-CA 3.32Å; Q120-R127 HydrophobicContact CB-CG 4.16Å; Q120-R127 HydrophobicContact CG-CG 4.31Å
128F89.4Confident90.6Very high50 Ų5082 Ų8222%0.21939%0.389CS..EExtended strand (participates in β ladder)trans-140.4153.2-178.5-56.9-87.8000110.3Y118 I119 C121 R126 A132 A133 H136Y118-F128 CarbonylContact C-O 3.56Å; Y118-F128 VanDerWaalsContact CA-O 3.26Å; Y118-F128 WeakPolarHBondContact CA-O 3.47Å; I119-F128 PolarHBondContact N-O 2.83Å; I119-F128 PolarHBondContact O-N 2.91Å; C121-F128 HydrophobicContact CB-CD2 4.42Å; C121-F128 HydrophobicContact CB-CE2 4.14Å; R126-F128 HydrophobicContact CB-CD2 4.42Å; R126-F128 HydrophobicContact CB-CE2 3.45Å; R126-F128 VanDerWaalsContact CB-CE2 3.45Å; R126-F128 HydrophobicContact CB-CZ 3.59Å; R126-F128 WeakPolarHBondContact O-CD2 3.29Å; R126-F128 WeakPolarHBondContact O-CE2 3.43Å; F128-A132 HydrophobicContact CB-CB 4.11Å; F128-A133 HydrophobicContact CB-CB 4.06Å; F128-H136 HydrophobicContact CD2-CB 4.32Å; F128-H136 AromaticContact CD2-CD2 3.74Å; F128-H136 AromaticContact CD2-CG 3.96Å; F128-H136 HydrophobicContact CE2-CB 4.27Å; F128-H136 AromaticContact CE2-CD2 3.15Å; F128-H136 WeakPolarHBondContact CE2-CD2 3.28Å; F128-H136 AromaticContact CE2-CE1 3.73Å; F128-H136 AromaticContact CE2-CG 3.45Å; F128-H136 VanDerWaalsContact CE2-CG 3.45Å; F128-H136 AromaticContact CE2-ND1 3.8Å; F128-H136 AromaticContact CE2-NE2 3.35Å; F128-H136 WeakPolarHBondContact CE2-NE2 3.38Å; F128-H136 HydrophobicContact CZ-CB 4.41Å; F128-H136 AromaticContact CZ-CD2 3.7Å; F128-H136 AromaticContact CZ-CE1 3.53Å; F128-H136 AromaticContact CZ-CG 3.57Å; F128-H136 AromaticContact CZ-ND1 3.47Å; F128-H136 WeakPolarHBondContact CZ-ND1 3.47Å; F128-H136 AromaticContact CZ-NE2 3.67Å
129N88.9Confident91Very high70 Ų7083 Ų8337%0.37440%0.396SS..EExtended strand (participates in β ladder)trans-63.2157.6167.366.633.2000110.8T131 A132 A133N129-T131 PolarHBondContact O-N 3.42Å; N129-A132 CarbonylContact O-C 3.43Å; N129-A132 PolarHBondContact O-N 3.19Å; N129-A132 VanDerWaalsContact O-N 3.1Å; N129-A132 WeakPolarHBondContact OD1-CB 3.47Å; N129-A132 PolarHBondContact OD1-N 2.99Å; N129-A133 WeakPolarHBondContact O-CB 3.17Å; N129-A133 PolarHBondContact O-N 2.86Å
130E86.9Confident91.2Very high76 Ų7680 Ų8036%0.35538%0.381SS..Hα-helixtrans-47.3-50.5-171.4-58.2-178.5123.900114.1R75 I119 A132 A133 E134R75-E130 WeakPolarHBondContact CD-OE2 3.24Å; R75-E130 IonicContact CZ-OE2 3.28Å; R75-E130 IonicContact NE-OE2 2.75Å; R75-E130 IonicContact NH1-OE2 3.28Å; R75-E130 PolarHBondContact NH1-OE2 2.78Å; I119-E130 HydrophobicContact CD1-CB 4.42Å; I119-E130 HydrophobicContact CD1-CG 4.08Å; I119-E130 HydrophobicContact CG1-CG 4.49Å; E130-A132 PolarHBondContact O-N 2.98Å; E130-A133 WeakPolarHBondContact O-CB 3.49Å; E130-A133 PolarHBondContact O-N 3.44Å; E130-A133 VanDerWaalsContact O-N 3.12Å; E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.27Å
131T89.1Confident91.2Very high70 Ų7081.2 Ų81.243%0.42939%0.385SS..Hα-helixtrans-74.8-25.3-175.154.50000113.8N129N129-T131 PolarHBondContact O-N 3.42Å
132A91.6Very high91.1Very high37 Ų3784.2 Ų84.231%0.30640%0.401SS..Hα-helixtrans-78.6-34167.300000111.3F128 N129 E130 R135 H136F128-A132 HydrophobicContact CB-CB 4.11Å; N129-A132 CarbonylContact O-C 3.43Å; N129-A132 PolarHBondContact O-N 3.19Å; N129-A132 VanDerWaalsContact O-N 3.1Å; N129-A132 WeakPolarHBondContact OD1-CB 3.47Å; N129-A132 PolarHBondContact OD1-N 2.99Å; E130-A132 PolarHBondContact O-N 2.98Å; A132-R135 PolarHBondContact O-N 3.33Å; A132-H136 WeakPolarHBondContact O-CB 3.27Å; A132-H136 PolarHBondContact O-N 3.12Å
133A93.3Very high90.8Very high1 Ų182.6 Ų82.61%0.00839%0.386CS..Hα-helixtrans-64.4-45176.600000111.4I119 F128 N129 E130 R135 H136 I137I119-A133 HydrophobicContact CB-CB 3.89Å; I119-A133 HydrophobicContact CD1-CB 4.46Å; I119-A133 HydrophobicContact CG2-CB 4.25Å; F128-A133 HydrophobicContact CB-CB 4.06Å; N129-A133 WeakPolarHBondContact O-CB 3.17Å; N129-A133 PolarHBondContact O-N 2.86Å; E130-A133 WeakPolarHBondContact O-CB 3.49Å; E130-A133 PolarHBondContact O-N 3.44Å; E130-A133 VanDerWaalsContact O-N 3.12Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 3.18Å; A133-H136 PolarHBondContact O-N 3.42Å; A133-I137 HydrophobicContact CB-CD1 4.06Å; A133-I137 VanDerWaalsContact O-CB 3.24Å; A133-I137 WeakPolarHBondContact O-CB 3.34Å; A133-I137 WeakPolarHBondContact O-CG1 3.36Å; A133-I137 PolarHBondContact O-N 2.9Å
134E91.6Very high90.6Very high119 Ų11980 Ų8056%0.55638%0.382SS*.Hα-helixtrans-50.3-50.5173-73.7163.8-159.200112.3E130 N138E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.27Å; E134-N138 PolarHBondContact O-ND2 3.05Å
135R93.9Very high90.1Very high204 Ų20481.8 Ų81.877%0.7740%0.395SS*.Hα-helixtrans-71.8-42.4-179.3-64.2179.2-178.8-127.8-2.8111.7A132 A133 F139A132-R135 PolarHBondContact O-N 3.33Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 3.18Å; R135-F139 PolarHBondContact O-N 3.13Å
136H94.6Very high89.7Confident41 Ų4184.2 Ų84.219%0.1940%0.397CS..Hα-helixtrans-70.3-45.1-177.2176.181.4000112.4C121 C124 F128 A132 A133 N138 F139 C140C121-H136 PolarHBondContact SG-CD2 2.94Å; C121-H136 PolarHBondContact SG-NE2 3.43Å; C121-H136 VanDerWaalsContact SG-NE2 3.35Å; C124-H136 PolarHBondContact SG-NE2 3.48Å; F128-H136 HydrophobicContact CD2-CB 4.32Å; F128-H136 AromaticContact CD2-CD2 3.74Å; F128-H136 AromaticContact CD2-CG 3.96Å; F128-H136 HydrophobicContact CE2-CB 4.27Å; F128-H136 AromaticContact CE2-CD2 3.15Å; F128-H136 WeakPolarHBondContact CE2-CD2 3.28Å; F128-H136 AromaticContact CE2-CE1 3.73Å; F128-H136 AromaticContact CE2-CG 3.45Å; F128-H136 VanDerWaalsContact CE2-CG 3.45Å; F128-H136 AromaticContact CE2-ND1 3.8Å; F128-H136 AromaticContact CE2-NE2 3.35Å; F128-H136 WeakPolarHBondContact CE2-NE2 3.38Å; F128-H136 HydrophobicContact CZ-CB 4.41Å; F128-H136 AromaticContact CZ-CD2 3.7Å; F128-H136 AromaticContact CZ-CE1 3.53Å; F128-H136 AromaticContact CZ-CG 3.57Å; F128-H136 AromaticContact CZ-ND1 3.47Å; F128-H136 WeakPolarHBondContact CZ-ND1 3.47Å; F128-H136 AromaticContact CZ-NE2 3.67Å; A132-H136 WeakPolarHBondContact O-CB 3.27Å; A132-H136 PolarHBondContact O-N 3.12Å; A133-H136 PolarHBondContact O-N 3.42Å; H136-N138 VanDerWaalsContact C-N 3.34Å; H136-N138 PolarHBondContact O-N 3.4Å; H136-F139 PolarHBondContact O-N 3.42Å; H136-C140 WeakPolarHBondContact NE2-CB 3.13Å; H136-C140 WeakPolarHBondContact O-CA 3.48Å; H136-C140 WeakPolarHBondContact O-CB 3.41Å; H136-C140 PolarHBondContact O-N 3.13Å
137I93.8Very high88.7Confident46 Ų4683 Ų8324%0.23639%0.393CS..Hα-helixtrans-63-42-176.6-69.4167.2000110.2I119 C121 Y123 A133 C140 K141I119-I137 HydrophobicContact CG2-CD1 4.15Å; C121-I137 HydrophobicContact CB-CG1 4.17Å; Y123-I137 HydrophobicContact CD2-CG2 4.47Å; Y123-I137 HydrophobicContact CE2-CG2 4.15Å; A133-I137 HydrophobicContact CB-CD1 4.06Å; A133-I137 VanDerWaalsContact O-CB 3.24Å; A133-I137 WeakPolarHBondContact O-CB 3.34Å; A133-I137 WeakPolarHBondContact O-CG1 3.36Å; A133-I137 PolarHBondContact O-N 2.9Å; I137-C140 PolarHBondContact O-N 3.3Å; I137-K141 VanDerWaalsContact O-CB 3.26Å; I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 PolarHBondContact O-N 3.31Å
138N93.2Very high87.3Confident116 Ų11685 Ų8562%0.6241%0.414SS*.Hα-helixtrans-61.2-49.7175.6-78-59.7000112.1E134 H136 C140 D142E134-N138 PolarHBondContact O-ND2 3.05Å; H136-N138 VanDerWaalsContact C-N 3.34Å; H136-N138 PolarHBondContact O-N 3.4Å; N138-C140 PolarHBondContact O-N 2.84Å; N138-D142 PolarHBondContact O-N 3.36Å
139F92.6Very high85.8Confident122 Ų12290 Ų9054%0.53544%0.436SS..Hα-helixtrans-65.7-36.6175.6176.6-102.7000113.1R135 H136 Q143R135-F139 PolarHBondContact O-N 3.13Å; H136-F139 PolarHBondContact O-N 3.42Å; F139-Q143 HydrophobicContact CE1-CB 4.3Å; F139-Q143 HydrophobicContact CE1-CG 4.41Å; F139-Q143 WeakPolarHBondContact O-CB 3.33Å; F139-Q143 PolarHBondContact O-N 3.43Å
140C93.2Very high84.7Confident13 Ų1390.4 Ų90.49%0.08844%0.439CS..Hα-helixtrans-78.6-31.1-175.2-1620000112.3H136 I137 N138 S144H136-C140 WeakPolarHBondContact NE2-CB 3.13Å; H136-C140 WeakPolarHBondContact O-CA 3.48Å; H136-C140 WeakPolarHBondContact O-CB 3.41Å; H136-C140 PolarHBondContact O-N 3.13Å; I137-C140 PolarHBondContact O-N 3.3Å; N138-C140 PolarHBondContact O-N 2.84Å; C140-S144 WeakPolarHBondContact O-CB 3.29Å; C140-S144 PolarHBondContact O-N 2.89Å; C140-S144 PolarHBondContact O-OG 3.42Å; C140-S144 VanDerWaalsContact O-OG 3.05Å
141K91.3Very high83.7Confident119 Ų11990.7 Ų90.752%0.51745%0.447SS..Hα-helixtrans-53.9-57.4166.5179.6173.7-179.5-179.60109.7Y123 I137 S144 S145Y123-K141 HydrophobicContact CD2-CB 3.92Å; Y123-K141 HydrophobicContact CE1-CB 4.37Å; Y123-K141 HydrophobicContact CE1-CG 4.22Å; Y123-K141 HydrophobicContact CE2-CB 3.46Å; Y123-K141 VanDerWaalsContact CE2-CB 3.46Å; Y123-K141 HydrophobicContact CE2-CD 4.39Å; Y123-K141 HydrophobicContact CE2-CG 3.94Å; I137-K141 VanDerWaalsContact O-CB 3.26Å; I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 PolarHBondContact O-N 3.31Å; K141-S144 PolarHBondContact O-N 3.49Å; K141-S144 PolarHBondContact O-OG 3.06Å; K141-S145 PolarHBondContact O-N 3.33Å; K141-S145 PolarHBondContact O-OG 3.11Å
142D89.5Confident82.6Confident62 Ų6290.5 Ų90.533%0.33245%0.453SS..Hα-helixtrans-62.6-44.5-179.5-173.578.4000113N138 S144 S145 R146N138-D142 PolarHBondContact O-N 3.36Å; D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 3.08Å; D142-S145 PolarHBondContact O-N 3.3Å; D142-S145 PolarHBondContact O-OG 2.86Å; D142-S145 VanDerWaalsContact O-OG 3.05Å; D142-R146 VanDerWaalsContact CG-NE 3.31Å; D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 VanDerWaalsContact O-CG 3.31Å; D142-R146 WeakPolarHBondContact O-CG 3.48Å; D142-R146 PolarHBondContact O-N 3.47Å; D142-R146 VanDerWaalsContact O-N 3.09Å; D142-R146 IonicContact OD1-CZ 2.88Å; D142-R146 IonicContact OD1-NE 3.63Å; D142-R146 PolarHBondContact OD1-NE 3.47Å; D142-R146 IonicContact OD1-NH2 2.7Å; D142-R146 PolarHBondContact OD1-NH2 2.94Å; D142-R146 IonicContact OD2-CZ 3.39Å; D142-R146 IonicContact OD2-NE 2.64Å; D142-R146 PolarHBondContact OD2-NE 3.27Å; D142-R146 IonicContact OD2-NH2 3.12Å; D142-R146 PolarHBondContact OD2-NH2 3.16Å
143Q87.3Confident81.6Confident54 Ų5494.3 Ų94.325%0.25246%0.464SS..Hα-helixtrans-65.7-33.3175.9-170.972.8-108.500111.9F139 R147F139-Q143 HydrophobicContact CE1-CB 4.3Å; F139-Q143 HydrophobicContact CE1-CG 4.41Å; F139-Q143 WeakPolarHBondContact O-CB 3.33Å; F139-Q143 PolarHBondContact O-N 3.43Å; Q143-R147 HydrophobicContact CG-CG 4.4Å; Q143-R147 WeakPolarHBondContact O-CB 3.47Å; Q143-R147 VanDerWaalsContact O-CG 3.27Å; Q143-R147 WeakPolarHBondContact O-CG 3.24Å; Q143-R147 PolarHBondContact O-N 3.39Å
144S85.8Confident80.4Confident44 Ų4496.9 Ų96.931%0.30848%0.48SS..Hα-helixtrans-75.2-35.4178.770.50000113.2Y123 C140 K141 D142 R147Y123-S144 VanDerWaalsContact CD1-OG 3.24Å; Y123-S144 WeakPolarHBondContact CD1-OG 3.13Å; C140-S144 WeakPolarHBondContact O-CB 3.29Å; C140-S144 PolarHBondContact O-N 2.89Å; C140-S144 PolarHBondContact O-OG 3.42Å; C140-S144 VanDerWaalsContact O-OG 3.05Å; K141-S144 PolarHBondContact O-N 3.49Å; K141-S144 PolarHBondContact O-OG 3.06Å; D142-S144 VanDerWaalsContact C-N 3.31Å; D142-S144 PolarHBondContact O-N 3.08Å; S144-R147 CarbonylContact O-C 3.5Å
145S81.1Confident79.5Confident84 Ų8493.8 Ų93.859%0.58747%0.474SS*.Hα-helixtrans-72.4-36.2174.659.30000112K141 D142K141-S145 PolarHBondContact O-N 3.33Å; K141-S145 PolarHBondContact O-OG 3.11Å; D142-S145 PolarHBondContact O-N 3.3Å; D142-S145 PolarHBondContact O-OG 2.86Å; D142-S145 VanDerWaalsContact O-OG 3.05Å
146R79.9Confident78.5Confident178 Ų17886.5 Ų86.567%0.67246%0.458SS*.Hα-helixtrans-72.9-33.9173.1-65.3179.7-154.9-79.8-2.5112.9D142 V148D142-R146 VanDerWaalsContact CG-NE 3.31Å; D142-R146 WeakPolarHBondContact O-CB 3.35Å; D142-R146 VanDerWaalsContact O-CG 3.31Å; D142-R146 WeakPolarHBondContact O-CG 3.48Å; D142-R146 PolarHBondContact O-N 3.47Å; D142-R146 VanDerWaalsContact O-N 3.09Å; D142-R146 IonicContact OD1-CZ 2.88Å; D142-R146 IonicContact OD1-NE 3.63Å; D142-R146 PolarHBondContact OD1-NE 3.47Å; D142-R146 IonicContact OD1-NH2 2.7Å; D142-R146 PolarHBondContact OD1-NH2 2.94Å; D142-R146 IonicContact OD2-CZ 3.39Å; D142-R146 IonicContact OD2-NE 2.64Å; D142-R146 PolarHBondContact OD2-NE 3.27Å; D142-R146 IonicContact OD2-NH2 3.12Å; D142-R146 PolarHBondContact OD2-NH2 3.16Å; R146-V148 PolarHBondContact O-N 3.12Å
147R66.3Low77.5Confident149 Ų14991.7 Ų91.756%0.56248%0.48SS*.  trans-9378.1174.7-64.7-171.6-172.4-150.55.2111.6Q143 S144 F149Q143-R147 HydrophobicContact CG-CG 4.4Å; Q143-R147 WeakPolarHBondContact O-CB 3.47Å; Q143-R147 VanDerWaalsContact O-CG 3.27Å; Q143-R147 WeakPolarHBondContact O-CG 3.24Å; Q143-R147 PolarHBondContact O-N 3.39Å; S144-R147 CarbonylContact O-C 3.5Å; R147-F149 PolarHBondContact O-N 3.27Å
148V60.4Low76.4Confident129 Ų12995.1 Ų95.178%0.78250%0.498SS*.  trans-50.8114.3141.6-178.40000106.3R146 N150R146-V148 PolarHBondContact O-N 3.12Å; V148-N150 VanDerWaalsContact C-N 3.34Å; V148-N150 PolarHBondContact O-N 3.01Å
149F57.6Low75.6Confident156 Ų15693.3 Ų93.368%0.68449%0.492SS*.  trans-71.691.4-171.1-172.4-93.8000109.3R147 P151R147-F149 PolarHBondContact O-N 3.27Å; F149-P151 HydrophobicContact CD1-CB 4.42Å; F149-P151 HydrophobicContact CE1-CB 4Å; F149-P151 WeakPolarHBondContact O-CD 3.4Å
150N65.1Low74.7Confident79 Ų7990.9 Ų90.942%0.42249%0.49SS..  trans-91.197.7176-165.3-47.6000108.2V148 A152 Q153 T154V148-N150 VanDerWaalsContact C-N 3.34Å; V148-N150 PolarHBondContact O-N 3.01Å; N150-A152 VanDerWaalsContact C-N 3.27Å; N150-A152 PolarHBondContact O-N 3.28Å; N150-Q153 PolarHBondContact O-N 3.17Å; N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 3.1Å
151P66.3Low73.7Confident81 Ų81100 Ų10053%0.52652%0.522SS..Hα-helixtrans-62.9-35.3-169.724.3-34.4000111.8F149 Q153 T154 A155F149-P151 HydrophobicContact CD1-CB 4.42Å; F149-P151 HydrophobicContact CE1-CB 4Å; F149-P151 WeakPolarHBondContact O-CD 3.4Å; P151-Q153 PolarHBondContact O-N 3.23Å; P151-T154 PolarHBondContact O-N 3.2Å; P151-T154 VanDerWaalsContact O-N 3.13Å; P151-A155 WeakPolarHBondContact O-CB 3.42Å; P151-A155 PolarHBondContact O-N 2.92Å
152A66.8Low72.8Confident67 Ų6797.4 Ų97.455%0.55452%0.523SS*.Hα-helixtrans-57.4-46.617900000112.3N150 T154 A155 A156N150-A152 VanDerWaalsContact C-N 3.27Å; N150-A152 PolarHBondContact O-N 3.28Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 2.87Å; A152-A155 PolarHBondContact O-N 3.06Å; A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.46Å; A152-A156 PolarHBondContact O-N 3.48Å
153Q69.3Low71.7Confident117 Ų11799.6 Ų99.655%0.54753%0.531SS..Hα-helixtrans-68.6-30.2178-65.4-164.421.500113.2N150 P151 K157N150-Q153 PolarHBondContact O-N 3.17Å; P151-Q153 PolarHBondContact O-N 3.23Å; Q153-K157 WeakPolarHBondContact O-CB 3.46Å; Q153-K157 WeakPolarHBondContact O-CG 3.43Å; Q153-K157 PolarHBondContact O-N 3.22Å; Q153-K157 VanDerWaalsContact O-N 3.13Å
154T69.4Low70.3Confident55 Ų5599 Ų9934%0.33754%0.54SS..Hα-helixtrans-74.8-43.8177.9-56.60000110.8N150 P151 A152 K157 L158N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 3.1Å; P151-T154 PolarHBondContact O-N 3.2Å; P151-T154 VanDerWaalsContact O-N 3.13Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 2.87Å; T154-K157 PolarHBondContact O-N 3.49Å; T154-L158 HydrophobicContact CG2-CD1 4.37Å; T154-L158 WeakPolarHBondContact O-CG 3.39Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.08Å
155A71.6Confident69Low53 Ų53107 Ų10744%0.43856%0.563SS.*Hα-helixtrans-59.8-49.1172.200000111.3P151 A152 K157 L158 T159P151-A155 WeakPolarHBondContact O-CB 3.42Å; P151-A155 PolarHBondContact O-N 2.92Å; A152-A155 PolarHBondContact O-N 3.06Å; A155-K157 PolarHBondContact O-N 3.16Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 3.09Å; A155-T159 PolarHBondContact O-N 3.18Å; A155-T159 PolarHBondContact O-OG1 3.34Å
156A73.4Confident67.8Low52 Ų52107 Ų10743%0.4357%0.568SS.*Hα-helixtrans-55.4-47.9176.900000112.2A152 L158 T159 S160A152-A156 VanDerWaalsContact O-CB 3.29Å; A152-A156 WeakPolarHBondContact O-CB 3.46Å; A152-A156 PolarHBondContact O-N 3.48Å; A156-L158 VanDerWaalsContact C-N 3.28Å; A156-L158 PolarHBondContact O-N 3.23Å; A156-T159 PolarHBondContact O-N 3.35Å; A156-S160 PolarHBondContact O-N 2.97Å; A156-S160 PolarHBondContact O-OG 3.44Å; A156-S160 VanDerWaalsContact O-OG 3.11Å
157K72.8Confident66.7Low149 Ų149106.1 Ų106.165%0.64857%0.572SS**Hα-helixtrans-66-26.2177.6-78.4174.1176.6166.40113.8Q153 T154 A155 R161Q153-K157 WeakPolarHBondContact O-CB 3.46Å; Q153-K157 WeakPolarHBondContact O-CG 3.43Å; Q153-K157 PolarHBondContact O-N 3.22Å; Q153-K157 VanDerWaalsContact O-N 3.13Å; T154-K157 PolarHBondContact O-N 3.49Å; A155-K157 PolarHBondContact O-N 3.16Å; K157-R161 VanDerWaalsContact O-CB 3.24Å; K157-R161 WeakPolarHBondContact O-CB 3.44Å; K157-R161 PolarHBondContact O-N 3.05Å
158L71.7Confident65.8Low119 Ų119105.7 Ų105.762%0.62358%0.577SS**Hα-helixtrans-73.7-46.6171.2-71.7165.8000111T154 A155 A156 R161 A162T154-L158 HydrophobicContact CG2-CD1 4.37Å; T154-L158 WeakPolarHBondContact O-CG 3.39Å; T154-L158 PolarHBondContact O-N 2.9Å; T154-L158 VanDerWaalsContact O-N 3.08Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 3.09Å; A156-L158 VanDerWaalsContact C-N 3.28Å; A156-L158 PolarHBondContact O-N 3.23Å; L158-R161 PolarHBondContact O-N 3.34Å; L158-A162 PolarHBondContact O-N 2.97Å
159T75.4Confident65.8Low78 Ų78101.8 Ų101.848%0.47956%0.563SS.*Hα-helixtrans-60.6-49.2177-56.20000111.9A155 A156 R161 A162 Q163A155-T159 PolarHBondContact O-N 3.18Å; A155-T159 PolarHBondContact O-OG1 3.34Å; A156-T159 PolarHBondContact O-N 3.35Å; T159-R161 PolarHBondContact O-N 3.25Å; T159-A162 WeakPolarHBondContact O-CB 3.4Å; T159-A162 PolarHBondContact O-N 2.97Å; T159-A162 VanDerWaalsContact O-N 3.1Å; T159-Q163 WeakPolarHBondContact O-CG 3.46Å; T159-Q163 PolarHBondContact O-N 3.1Å
160S74.1Confident65.8Low71 Ų71100.5 Ų100.550%0.49757%0.571SS.*Hα-helixtrans-62.1-31.6176.4-55.20000112.7A156 G164A156-S160 PolarHBondContact O-N 2.97Å; A156-S160 PolarHBondContact O-OG 3.44Å; A156-S160 VanDerWaalsContact O-OG 3.11Å; S160-G164 PolarHBondContact O-N 3.1Å
161R73.7Confident65.1Low205 Ų205105 Ų10577%0.77459%0.587SS**Hα-helixtrans-76.7-28.2175.7-170.3168.2-179.1142.20.4112.8K157 L158 T159 R165K157-R161 VanDerWaalsContact O-CB 3.24Å; K157-R161 WeakPolarHBondContact O-CB 3.44Å; K157-R161 PolarHBondContact O-N 3.05Å; L158-R161 PolarHBondContact O-N 3.34Å; T159-R161 PolarHBondContact O-N 3.25Å; R161-R165 WeakPolarHBondContact O-CB 3.26Å; R161-R165 PolarHBondContact O-N 3.36Å
162A71.8Confident64.4Low63 Ų63110.7 Ų110.752%0.52160%0.603SS.*Hα-helixtrans-68.9-46.316800000111.1L158 T159 G164 R165 A166L158-A162 PolarHBondContact O-N 2.97Å; T159-A162 WeakPolarHBondContact O-CB 3.4Å; T159-A162 PolarHBondContact O-N 2.97Å; T159-A162 VanDerWaalsContact O-N 3.1Å; A162-G164 PolarHBondContact O-N 2.72Å; A162-R165 WeakPolarHBondContact O-CB 3.43Å; A162-R165 PolarHBondContact O-N 3.06Å; A162-A166 PolarHBondContact O-N 3.32Å
163Q65.3Low63.5Low108 Ų108115.3 Ų115.351%0.50561%0.613SS.*Hα-helixtrans-61.4-39.6175.7-69.9166.8-33.300112.6T159 R165 A166 Q167T159-Q163 WeakPolarHBondContact O-CG 3.46Å; T159-Q163 PolarHBondContact O-N 3.1Å; Q163-R165 VanDerWaalsContact C-N 3.31Å; Q163-R165 PolarHBondContact O-N 3.3Å; Q163-A166 PolarHBondContact O-N 3.1Å; Q163-Q167 PolarHBondContact O-N 3.11Å; Q163-Q167 VanDerWaalsContact O-N 3.16Å; Q163-Q167 PolarHBondContact O-NE2 3.5Å
164G58.8Low62.7Low43 Ų43114.4 Ų114.444%0.44362%0.617SS.*Hα-helixtrans-67.1-28.9172.800000113.5S160 A162 M168S160-G164 PolarHBondContact O-N 3.1Å; A162-G164 PolarHBondContact O-N 2.72Å; G164-M168 PolarHBondContact O-N 3.1Å
165R57.9Low61.9Low211 Ų211118.4 Ų118.480%0.79664%0.642SS**Hα-helixtrans-77.8-28174.2-166.3173.6-173.5-104.24.9112.6R161 A162 Q163 Q167R161-R165 WeakPolarHBondContact O-CB 3.26Å; R161-R165 PolarHBondContact O-N 3.36Å; A162-R165 WeakPolarHBondContact O-CB 3.43Å; A162-R165 PolarHBondContact O-N 3.06Å; Q163-R165 VanDerWaalsContact C-N 3.31Å; Q163-R165 PolarHBondContact O-N 3.3Å; R165-Q167 VanDerWaalsContact C-N 3.34Å
166A55.4Low61Low83 Ų83120.6 Ų120.669%0.68665%0.65SS**Hα-helixtrans-72.6-25.8170.900000112.9A162 Q163A162-A166 PolarHBondContact O-N 3.32Å; Q163-A166 PolarHBondContact O-N 3.1Å
167Q57.8Low60.4Low161 Ų161123.2 Ų123.275%0.75266%0.66SS**SBendtrans-85.5-4175.4-74.9172.888.400114.3Q163 R165 G169Q163-Q167 PolarHBondContact O-N 3.11Å; Q163-Q167 VanDerWaalsContact O-N 3.16Å; Q163-Q167 PolarHBondContact O-NE2 3.5Å; R165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-G169 VanDerWaalsContact C-N 3.35Å; Q167-G169 PolarHBondContact O-N 3.36Å
168M47.8Very low59.7Low139 Ų139121.2 Ų121.269%0.68567%0.665SS**SBendtrans-7497160-168.8173.1-160.900107.5G164G164-M168 PolarHBondContact O-N 3.1Å
169G59Low59Low47 Ų47119 Ų11949%0.48567%0.665SS.*PPolyproline II helixtrans-52.5161.8-179.500000113.1Q167 K171Q167-G169 VanDerWaalsContact C-N 3.35Å; Q167-G169 PolarHBondContact O-N 3.36Å; G169-K171 PolarHBondContact O-N 3.46Å; G169-K171 VanDerWaalsContact O-N 3.1Å
170P58.1Low58Low129 Ų129119.4 Ų119.484%0.83867%0.666SS**PPolyproline II helixtrans-51.3122.4-170.321.3-33.5000110.4K172P170-K172 PolarHBondContact O-N 3.4Å; P170-K172 VanDerWaalsContact O-N 3.1Å
171K50.3Low57.1Low174 Ų174117.8 Ų117.876%0.75766%0.661SS**PPolyproline II helixtrans-55.6122.2170.3-72-173176.1-172.50106.7G169 E173G169-K171 PolarHBondContact O-N 3.46Å; G169-K171 VanDerWaalsContact O-N 3.1Å; K171-E173 PolarHBondContact O-N 3.02Å
172K51.7Low56.3Low201 Ų201110 Ų11087%0.87464%0.64SS**PPolyproline II helixtrans-52.5130.4170.9-66.1-176.1177.4-176.20107.7P170P170-K172 PolarHBondContact O-N 3.4Å; P170-K172 VanDerWaalsContact O-N 3.1Å
173E47.9Very low55.5Low163 Ų163113.2 Ų113.276%0.76265%0.648SS**PPolyproline II helixtrans-46.6129.5175.3-77.1-70.294.300109.4K171 T175K171-E173 PolarHBondContact O-N 3.02Å; E173-T175 PolarHBondContact O-N 3.15Å; E173-T175 VanDerWaalsContact O-N 3.11Å
174P53.8Low55.3Low98 Ų98114.5 Ų114.564%0.63666%0.658SS**PPolyproline II helixtrans-61.7119.7168.827.6-31.5000106.7V176P174-V176 PolarHBondContact O-N 3.42Å
175T52.5Low55.3Low140 Ų140118.6 Ų118.686%0.85967%0.665SS**  trans-69.778.3-178-48.20000110.3E173 T177E173-T175 PolarHBondContact O-N 3.15Å; E173-T175 VanDerWaalsContact O-N 3.11Å; T175-T177 PolarHBondContact O-N 2.87Å
176V52Low55.4Low98 Ų98113.3 Ų113.359%0.59465%0.653SS**  trans-71.3116.3172.2-176.90000107.3P174 S178 V180P174-V176 PolarHBondContact O-N 3.42Å; V176-S178 PolarHBondContact O-N 3.3Å; V176-V180 HydrophobicContact CG1-CB 3.97Å; V176-V180 HydrophobicContact CG1-CG1 4.38Å; V176-V180 HydrophobicContact CG1-CG2 4.05Å
177T60.1Low55.5Low107 Ų107119.5 Ų119.566%0.65666%0.658SS**  trans-57.8132.2-175.1-30.20000110.9T175 A179 V180T175-T177 PolarHBondContact O-N 2.87Å; T177-A179 PolarHBondContact O-N 3.48Å; T177-V180 PolarHBondContact O-N 3.03Å
178S59.3Low55.1Low108 Ų108115.2 Ų115.276%0.75565%0.65SS**THydrogen-bonded Turntrans-44.6-34-171.8-176.40000115.2V176 V180 G181V176-S178 PolarHBondContact O-N 3.3Å; S178-V180 PolarHBondContact O-N 3.33Å; S178-G181 PolarHBondContact O-N 3.39Å
179A55.8Low55.1Low73 Ų73115.2 Ų115.260%0.60365%0.649SS**Hα-helixtrans-50-30.8176.400000115.2T177T177-A179 PolarHBondContact O-N 3.48Å
180V54.7Low54.5Low85 Ų85119 Ų11952%0.51566%0.662SS.*Hα-helixtrans-73.8-34.2179.7-176.20000112V176 T177 S178V176-V180 HydrophobicContact CG1-CB 3.97Å; V176-V180 HydrophobicContact CG1-CG1 4.38Å; V176-V180 HydrophobicContact CG1-CG2 4.05Å; T177-V180 PolarHBondContact O-N 3.03Å; S178-V180 PolarHBondContact O-N 3.33Å
181G55.6Low53.9Low37 Ų37116.7 Ų116.738%0.38165%0.654SS.*Hα-helixtrans-67.5-44.6179.100000112.4S178 L183 L184 Q185S178-G181 PolarHBondContact O-N 3.39Å; G181-L183 VanDerWaalsContact C-N 3.28Å; G181-L183 PolarHBondContact O-N 3.02Å; G181-L184 PolarHBondContact O-N 3.25Å; G181-Q185 WeakPolarHBondContact O-CG 3.45Å; G181-Q185 PolarHBondContact O-N 3.45Å
182A57.2Low53.7Low41 Ų41114 Ų11434%0.33965%0.653SS.*Hα-helixtrans-59-38.2177.600000112.6L184 Q185 N186A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 2.98Å; A182-Q185 PolarHBondContact O-N 3.11Å; A182-N186 WeakPolarHBondContact O-CB 3.46Å; A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 3.28Å; A182-N186 PolarHBondContact O-ND2 3.06Å
183L55Low52.9Low132 Ų132109.6 Ų109.669%0.69165%0.647SS**Hα-helixtrans-67.7-32.5-177.4-158.671.7000112.9G181 R187G181-L183 VanDerWaalsContact C-N 3.28Å; G181-L183 PolarHBondContact O-N 3.02Å; L183-R187 PolarHBondContact O-N 2.88Å
184L60.6Low52.6Low134 Ų134110.8 Ų110.870%0.70265%0.652SS**Hα-helixtrans-72.9-39.9174.2-115.970.9000112.1G181 A182 R187G181-L184 PolarHBondContact O-N 3.25Å; A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 2.98Å; L184-R187 PolarHBondContact O-N 3.3Å
185Q59.2Low51.7Low130 Ų130112.7 Ų112.761%0.60766%0.662SS**Hα-helixtrans-68.8-43.4-178.3-68.9166.6-10.200111.4G181 A182 R187 A188G181-Q185 WeakPolarHBondContact O-CG 3.45Å; G181-Q185 PolarHBondContact O-N 3.45Å; A182-Q185 PolarHBondContact O-N 3.11Å; Q185-R187 PolarHBondContact O-N 3.32Å; Q185-A188 PolarHBondContact O-N 3.25Å; Q185-A188 VanDerWaalsContact O-N 3.11Å
186N58.9Low51.4Low99 Ų99111 Ų11153%0.52965%0.654SS.*Hα-helixtrans-63.4-26175.6-67.8-16.1000112.8A182 A188A182-N186 WeakPolarHBondContact O-CB 3.46Å; A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 3.28Å; A182-N186 PolarHBondContact O-ND2 3.06Å; N186-A188 VanDerWaalsContact C-N 3.33Å
187R58.6Low50.4Low214 Ų214112.5 Ų112.581%0.80866%0.663SS**Hα-helixtrans-72.8-23.3176.3-173.659.1175.7-172.11.9113.2L183 L184 Q185L183-R187 PolarHBondContact O-N 2.88Å; L184-R187 PolarHBondContact O-N 3.3Å; Q185-R187 PolarHBondContact O-N 3.32Å
188A48.5Very low49.3Very low70 Ų70116.4 Ų116.458%0.57967%0.671SS**Hα-helixtrans-83.5-28.8-179.200000113.5Q185 N186 V190Q185-A188 PolarHBondContact O-N 3.25Å; Q185-A188 VanDerWaalsContact O-N 3.11Å; N186-A188 VanDerWaalsContact C-N 3.33Å; A188-V190 PolarHBondContact O-N 2.99Å
189Q49.6Very low48.1Very low139 Ų139116.9 Ų116.965%0.6567%0.674SS**Hα-helixtrans-79-16.4-174-63.9-178.16.600114.2A191Q189-A191 PolarHBondContact O-N 3.37Å
190V45.2Very low46.9Very low127 Ų127116.9 Ų116.977%0.7768%0.681SS**THydrogen-bonded Turntrans-81.83.1-178.2-173.10000112.4A188A188-V190 PolarHBondContact O-N 2.99Å
191A46.7Very low45.8Very low81 Ų81121.6 Ų121.667%0.66970%0.702SS**THydrogen-bonded Turntrans-97.5-2.6-174.400000115.1Q189Q189-A191 PolarHBondContact O-N 3.37Å
192T45Very low44.8Very low118 Ų118123.5 Ų123.572%0.72472%0.715SS**SBendtrans-14565.6-169.4580000114
193S33.9Very low43.8Very low108 Ų108129.9 Ų129.976%0.75574%0.74SS**  trans-163.380.2167.343.90000112.9
194E42.3Very low43.2Very low187 Ų187131.2 Ų131.287%0.87475%0.747SS**  trans-98.3135.2173.257.5-163.892.200112
195V34.6Very low42.4Very low139 Ų139130.4 Ų130.484%0.84275%0.75SS**  trans-141.6139.3177.7-178.60000109.1
196P47.6Very low41.3Very low105 Ų105128.3 Ų128.368%0.68276%0.755SS**  trans-116.1-165.9-157.144-35.6000115.6
197T30.6Very low40.6Very low129 Ų129129.7 Ų129.779%0.79177%0.772SS**  trans69.3144174.651.40000116.2
198K36.1Very low39.4Very low189 Ų189123.5 Ų123.582%0.82278%0.775SS**  cis-169.5156.9-1.155.5-163.1175.1-170.40106.9
199S33.6Very low39.2Very low117 Ų117124.9 Ų124.982%0.81879%0.787SS**  cis-144.4-179.86.3-58.50000107.8
200G31.2Very low38.9Very low73 Ų73128 Ų12875%0.75380%0.798SS**  cis124.775.4-300000114.9
201L31.4Very low38.6Very low184 Ų184128.9 Ų128.996%0.96380%0.798SS**  trans-143.6147.2163.1-93.3177000109.5
202A35.7Very low38.2Very low78 Ų78136.6 Ų136.665%0.64581%0.809SS**  trans-100.8159.2-17500000113.1
203M36.5Very low38.3Very low175 Ų175138.5 Ų138.586%0.86281%0.81SS**  -175129.5122.3-79.2-33.5145.700110.3
204D40.5Very low38.7Very low159 Ų159137.1 Ų137.185%0.8581%0.813SS**  trans-78.3149156.2-79-79.1000109.2
205P44.4Very low38.4Very low118 Ų118137.4 Ų137.477%0.76681%0.812SS**  -150.1144.696.837-19.5000117.3
206A36.6Very low38.9Very low86 Ų86134.7 Ų134.771%0.71180%0.799SS**  trans41.1131.4135.600000123.1
207S45Very low38.5Very low127 Ų127139.9 Ų139.989%0.88881%0.811SS**  trans57.297.2136.3-61.60000120.2
208G32.7Very low39Very low84 Ų84138.9 Ų138.987%0.86681%0.809SS**  trans-143.482.8168.900000113.9
209A44.8Very low39.4Very low99 Ų99136 Ų13682%0.81881%0.813SS**  trans-83.1128.7172.400000111.4
210K42.3Very low40.1Very low206 Ų206139 Ų13990%0.89681%0.811SS**  trans-149.9115.2144.7-77.3-147.6176.5-176.40113.9R212K210-R212 PolarHBondContact O-N 3.49Å
211L38.7Very low41.2Very low144 Ų144143.3 Ų143.375%0.75481%0.809SS**  trans-13.3117.4146.5178.669.2000115.5Q213L211-Q213 HydrophobicContact CD2-CG 3.99Å; L211-Q213 HydrophobicContact CG-CG 4.2Å; L211-Q213 PolarHBondContact O-N 3.32Å
212R39.2Very low42.2Very low243 Ų243144.3 Ų144.392%0.91782%0.815SS**  trans-78109.9155.8-91.7-173.3171.5-96.2-0.1108.9K210K210-R212 PolarHBondContact O-N 3.49Å
213Q46.4Very low42.5Very low158 Ų158147.6 Ų147.674%0.73882%0.824SS**PPolyproline II helixtrans-67.7133.3172.2-67.9176.8-17.600110.2L211L211-Q213 HydrophobicContact CD2-CG 3.99Å; L211-Q213 HydrophobicContact CG-CG 4.2Å; L211-Q213 PolarHBondContact O-N 3.32Å
214G43.1Very low42.8Very low79 Ų79146.2 Ų146.281%0.81482%0.822SS**PPolyproline II helixtrans-78127.3163.900000109.3
215F36.1Very low42.9Very low194 Ų194145.4 Ų145.485%0.85182%0.82SS**PPolyproline II helixtrans-87.8141178.9-142.6-95.2000111.8
216S44.7Very low42.9Very low82 Ų82147.1 Ų147.157%0.57382%0.823SS**PPolyproline II helixtrans-70.3151.6-165.549.10000114.7
217K39Very low43.2Very low214 Ų214150.9 Ų150.993%0.9383%0.83SS**  trans-128.5109.2141-81.5-163172.8-174.30109.5
218S41.8Very low43.1Very low107 Ų107152.5 Ų152.575%0.74883%0.826SS**  trans-74.3135.2173-45.20000110.2
219S44Very low43.9Very low129 Ų129157.4 Ų157.490%0.90282%0.824SS**  trans-92.8142.5147.9-75.30000108.1
220K48.8Very low43.8Very low180 Ų180161.8 Ų161.878%0.78382%0.824SS**  trans-128.1113.7-170.6170-172.4169.3-174.80109.2
221K53.6Low43.9Very low163 Ų163158.2 Ų158.271%0.70982%0.818SS**  trans61.5167.8152.1-74.7-177.4141.9-1090117.5
222D51.7Low44.4Very low205 Ų205159.5 Ų159.5100%1.09682%0.824SS**  cis-109.30-5.1-78.9-77.1000111.5

Retrieved 222 of 222 residues in 47.3 ms (Link to these results)