A0A2K5M006_CERAT Loading...

TP53 regulated inhibitor of apoptosis 1

AlphaFold DB , UniProt , Accession A0A2K5M006, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TRIAP1, Length 76 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
1M78.4Confident90.3Very high190 Ų19076.4 Ų76.494%0.93642%0.42SS*.  0145.50-76-144.2-96.100109
2N88.7Confident90.6Very high125 Ų12572.8 Ų72.867%0.66840%0.397SS*.  trans-87.4152177.7-62.5-21.2000110.1T9N2-T9 HydrophobicContact CB-CG2 4.45Å
3S89.5Confident90.8Very high17 Ų1776.9 Ų76.912%0.11940%0.403CS..  trans-84.2166.8174.3-172.40000110.9G5 T9S3-G5 VanDerWaalsContact C-N 3.25Å; S3-G5 WeakPolarHBondContact CB-O 3.35Å; S3-G5 PolarHBondContact O-N 3.19Å; S3-T9 PolarHBondContact N-OG1 2.72Å; S3-T9 VanDerWaalsContact N-OG1 3.17Å
4V90.4Very high91Very high46 Ų4679.4 Ų79.428%0.27941%0.412SS..SBendtrans-63.4-33.2175.869.10000111.9V48 A51 I52 K55 I57V4-V48 HydrophobicContact CG1-CG1 3.92Å; V4-A51 HydrophobicContact CG1-CB 4.13Å; V4-I52 HydrophobicContact CG1-CG1 4.13Å; V4-K55 HydrophobicContact CG2-CD 4.05Å; V4-K55 WeakPolarHBondContact O-CE 3.41Å; V4-K55 PolarHBondContact O-NZ 2.68Å; V4-I57 HydrophobicContact CG2-CD1 3.57Å
5G90.2Very high91.3Very high9 Ų976.1 Ų76.19%0.09339%0.392CS..SBendtrans-101.4127.5166.400000109.7S3 A7 C8S3-G5 VanDerWaalsContact C-N 3.25Å; S3-G5 WeakPolarHBondContact CB-O 3.35Å; S3-G5 PolarHBondContact O-N 3.19Å; G5-A7 VanDerWaalsContact C-N 3.28Å; G5-A7 PolarHBondContact O-N 3.06Å; G5-C8 WeakPolarHBondContact O-CA 3.36Å; G5-C8 WeakPolarHBondContact O-CB 3.46Å; G5-C8 PolarHBondContact O-N 3.17Å
6E91.3Very high91.5Very high176 Ų17674.2 Ų74.282%0.82238%0.383SS*.G310 helixtrans-57.7-43.7-179.4-69.4-177.8179.300111.4C8 T9E6-C8 PolarHBondContact O-N 3.42Å; E6-C8 VanDerWaalsContact O-N 3.11Å; E6-T9 VanDerWaalsContact O-CB 3.26Å; E6-T9 WeakPolarHBondContact O-CB 3.08Å; E6-T9 PolarHBondContact O-N 3.35Å; E6-T9 PolarHBondContact O-OG1 2.99Å; E6-T9 VanDerWaalsContact O-OG1 3.05Å
7A90.6Very high91.7Very high81 Ų8178.2 Ų78.267%0.66940%0.4SS*.G310 helixtrans-59.6-21.6175.100000114.1G5 M11G5-A7 VanDerWaalsContact C-N 3.28Å; G5-A7 PolarHBondContact O-N 3.06Å; A7-M11 VanDerWaalsContact O-CE 3.25Å; A7-M11 WeakPolarHBondContact O-CE 3.37Å
8C93.4Very high91.8Very high2 Ų275.8 Ų75.81%0.01439%0.39CS..G310 helixtrans-90.7-2.6179.5-44.10000112.8G5 E6 K12 Y44 C47 V48G5-C8 WeakPolarHBondContact O-CA 3.36Å; G5-C8 WeakPolarHBondContact O-CB 3.46Å; G5-C8 PolarHBondContact O-N 3.17Å; E6-C8 PolarHBondContact O-N 3.42Å; E6-C8 VanDerWaalsContact O-N 3.11Å; C8-K12 VanDerWaalsContact O-CB 3.29Å; C8-K12 WeakPolarHBondContact O-CB 3.4Å; C8-K12 PolarHBondContact O-N 3.42Å; C8-Y44 HydrophobicContact CB-CD2 4.45Å; C8-Y44 HydrophobicContact CB-CE2 4.43Å; C8-C47 WeakPolarHBondContact CA-SG 3.38Å; C8-C47 HydrophobicContact CB-CB 3.89Å; C8-C47 WeakPolarHBondContact CB-SG 3.43Å; C8-C47 WeakPolarHBondContact SG-CB 3.26Å; C8-C47 PolarHBondContact SG-O 3.15Å; C8-C47 VanDerWaalsContact SG-O 3.37Å; C8-C47 CovalentContact SG-SG 2.04Å; C8-C47 PolarHBondContact SG-SG 3.12Å; C8-V48 HydrophobicContact CB-CG2 3.99Å
9T93.9Very high91.9Very high14 Ų1475 Ų759%0.08638%0.384CS..Hα-helixtrans-67.7-40.5-173.6-63.60000112.4N2 S3 E6 K12 R13N2-T9 HydrophobicContact CB-CG2 4.45Å; S3-T9 PolarHBondContact N-OG1 2.72Å; S3-T9 VanDerWaalsContact N-OG1 3.17Å; E6-T9 VanDerWaalsContact O-CB 3.26Å; E6-T9 WeakPolarHBondContact O-CB 3.08Å; E6-T9 PolarHBondContact O-N 3.35Å; E6-T9 PolarHBondContact O-OG1 2.99Å; E6-T9 VanDerWaalsContact O-OG1 3.05Å; T9-K12 WeakPolarHBondContact O-CB 3.49Å; T9-K12 PolarHBondContact O-N 3.05Å; T9-R13 WeakPolarHBondContact O-CG 3.25Å; T9-R13 PolarHBondContact O-N 3.42Å; T9-R13 VanDerWaalsContact O-N 3.14Å
10D93.6Very high92Very high112 Ų11276.2 Ų76.260%0.59939%0.391SS*.Hα-helixtrans-71.1-45.4179.8-63.9-29.7000111K12 R13 E14D10-K12 VanDerWaalsContact C-N 3.26Å; D10-K12 PolarHBondContact O-N 3.14Å; D10-R13 WeakPolarHBondContact O-CB 2.85Å; D10-R13 PolarHBondContact O-N 3.11Å; D10-E14 PolarHBondContact O-N 3.34Å; D10-E14 VanDerWaalsContact O-N 3.15Å
11M93.1Very high92Very high68 Ų6880.4 Ų80.434%0.33540%0.402SS..Hα-helixtrans-57.3-38.7172.9-73.3177.5-98.400112.4A7 Y15 R43 Y44 C47A7-M11 VanDerWaalsContact O-CE 3.25Å; A7-M11 WeakPolarHBondContact O-CE 3.37Å; M11-Y15 WeakPolarHBondContact O-CB 3.42Å; M11-Y15 PolarHBondContact O-N 3.05Å; M11-Y15 VanDerWaalsContact O-N 3.09Å; M11-R43 HydrophobicContact SD-CB 4.49Å; M11-Y44 HydrophobicContact CB-CD2 4.39Å; M11-C47 HydrophobicContact CE-CB 4.16Å; M11-C47 HydrophobicContact SD-CB 4.34Å
12K93.6Very high92.7Very high34 Ų3473 Ų7315%0.14836%0.364CS..Hα-helixtrans-59.7-47.4174.3179.8170.2173.345.50111.4C8 T9 D10 E14 Y15 D16 Y44C8-K12 VanDerWaalsContact O-CB 3.29Å; C8-K12 WeakPolarHBondContact O-CB 3.4Å; C8-K12 PolarHBondContact O-N 3.42Å; T9-K12 WeakPolarHBondContact O-CB 3.49Å; T9-K12 PolarHBondContact O-N 3.05Å; D10-K12 VanDerWaalsContact C-N 3.26Å; D10-K12 PolarHBondContact O-N 3.14Å; K12-E14 VanDerWaalsContact C-N 3.35Å; K12-E14 PolarHBondContact O-N 3.03Å; K12-Y15 PolarHBondContact O-N 3.01Å; K12-D16 VanDerWaalsContact CE-OD2 3.24Å; K12-D16 WeakPolarHBondContact CE-OD2 3.37Å; K12-D16 WeakPolarHBondContact CG-OD2 3.24Å; K12-D16 VanDerWaalsContact NZ-CG 3.29Å; K12-D16 IonicContact NZ-OD1 3.87Å; K12-D16 PolarHBondContact NZ-OD1 3.37Å; K12-D16 IonicContact NZ-OD2 3.51Å; K12-D16 PolarHBondContact NZ-OD2 3Å; K12-D16 VanDerWaalsContact O-CB 3.29Å; K12-D16 WeakPolarHBondContact O-CB 3.38Å; K12-D16 PolarHBondContact O-N 2.04Å; K12-Y44 HydrophobicContact CB-CD2 3.92Å; K12-Y44 HydrophobicContact CB-CE2 3.47Å; K12-Y44 VanDerWaalsContact CB-CE2 3.47Å; K12-Y44 HydrophobicContact CD-CE2 4.26Å; K12-Y44 HydrophobicContact CG-CE2 3.92Å
13R94.3Very high92.8Very high126 Ų12670.6 Ų70.648%0.47535%0.347SS..Hα-helixtrans-62.4-43.7-176.5-72.3172.8-178-148.44.6111.4T9 D10 Q17T9-R13 WeakPolarHBondContact O-CG 3.25Å; T9-R13 PolarHBondContact O-N 3.42Å; T9-R13 VanDerWaalsContact O-N 3.14Å; D10-R13 WeakPolarHBondContact O-CB 2.85Å; D10-R13 PolarHBondContact O-N 3.11Å; R13-Q17 WeakPolarHBondContact O-CB 3.43Å; R13-Q17 VanDerWaalsContact O-CG 3.25Å; R13-Q17 WeakPolarHBondContact O-CG 3.29Å; R13-Q17 PolarHBondContact O-N 2.93Å
14E93.3Very high92.9Very high111 Ų11172.2 Ų72.252%0.51936%0.362SS..Hα-helixtrans-62.7-47.4177.2-69.8179.2-169.700111.8D10 K12 Q17 C18D10-E14 PolarHBondContact O-N 3.34Å; D10-E14 VanDerWaalsContact O-N 3.15Å; K12-E14 VanDerWaalsContact C-N 3.35Å; K12-E14 PolarHBondContact O-N 3.03Å; E14-Q17 PolarHBondContact O-N 2.83Å; E14-C18 WeakPolarHBondContact O-CB 3.25Å; E14-C18 PolarHBondContact O-N 3.13Å; E14-C18 VanDerWaalsContact O-N 3.08Å
15Y94.9Very high92.9Very high31 Ų3174.3 Ų74.312%0.12237%0.368CS..Hα-helixtrans-62.4-48.7177169.3-105.5000112.1M11 K12 Q17 C18 F19 C37 L40 F41 Y44M11-Y15 WeakPolarHBondContact O-CB 3.42Å; M11-Y15 PolarHBondContact O-N 3.05Å; M11-Y15 VanDerWaalsContact O-N 3.09Å; K12-Y15 PolarHBondContact O-N 3.01Å; Y15-Q17 VanDerWaalsContact C-N 3.3Å; Y15-Q17 PolarHBondContact O-N 3.35Å; Y15-C18 PolarHBondContact O-N 3.33Å; Y15-F19 HydrophobicContact CE1-CB 4.45Å; Y15-F19 HydrophobicContact CE2-CB 4.18Å; Y15-F19 WeakPolarHBondContact O-CB 3.38Å; Y15-F19 PolarHBondContact O-N 2.74Å; Y15-C37 HydrophobicContact CD2-CB 4.19Å; Y15-C37 HydrophobicContact CE2-CB 4.16Å; Y15-L40 HydrophobicContact CD2-CB 4.42Å; Y15-F41 HydrophobicContact CD1-CD2 4.36Å; Y15-F41 HydrophobicContact CD2-CB 3.76Å; Y15-F41 HydrophobicContact CD2-CD2 4.15Å; Y15-F41 HydrophobicContact CD2-CG 4.43Å; Y15-F41 AromaticContact CE1-CD2 3.81Å; Y15-F41 HydrophobicContact CE1-CD2 3.81Å; Y15-F41 HydrophobicContact CE1-CE2 4.33Å; Y15-F41 HydrophobicContact CE2-CB 3.51Å; Y15-F41 AromaticContact CE2-CD2 3.6Å; Y15-F41 HydrophobicContact CE2-CD2 3.6Å; Y15-F41 AromaticContact CE2-CG 3.88Å; Y15-F41 HydrophobicContact CE2-CG 3.88Å; Y15-F41 HydrophobicContact CG-CD2 4.5Å; Y15-F41 AromaticContact CZ-CD2 3.39Å; Y15-Y44 HydrophobicContact CD1-CD1 4.06Å; Y15-Y44 HydrophobicContact CD1-CE1 4.37Å; Y15-Y44 HydrophobicContact CG-CD1 4.5Å
16D94.3Very high92.8Very high45 Ų4577.6 Ų77.624%0.24138%0.38CS..Hα-helixtrans-59.4-41.2-178.8-73.4-7.6000111K12 N20K12-D16 VanDerWaalsContact CE-OD2 3.24Å; K12-D16 WeakPolarHBondContact CE-OD2 3.37Å; K12-D16 WeakPolarHBondContact CG-OD2 3.24Å; K12-D16 VanDerWaalsContact NZ-CG 3.29Å; K12-D16 IonicContact NZ-OD1 3.87Å; K12-D16 PolarHBondContact NZ-OD1 3.37Å; K12-D16 IonicContact NZ-OD2 3.51Å; K12-D16 PolarHBondContact NZ-OD2 3Å; K12-D16 VanDerWaalsContact O-CB 3.29Å; K12-D16 WeakPolarHBondContact O-CB 3.38Å; K12-D16 PolarHBondContact O-N 2.04Å; D16-N20 VanDerWaalsContact O-CB 3.29Å; D16-N20 WeakPolarHBondContact O-CB 3.25Å; D16-N20 PolarHBondContact O-N 3.48Å; D16-N20 PolarHBondContact O-ND2 3.06Å
17Q94.8Very high92.7Very high143 Ų14374.5 Ų74.567%0.66836%0.364SS*.Hα-helixtrans-65-45.3176.7-74.6175.66.900112R13 E14 Y15 R21R13-Q17 WeakPolarHBondContact O-CB 3.43Å; R13-Q17 VanDerWaalsContact O-CG 3.25Å; R13-Q17 WeakPolarHBondContact O-CG 3.29Å; R13-Q17 PolarHBondContact O-N 2.93Å; E14-Q17 PolarHBondContact O-N 2.83Å; Y15-Q17 VanDerWaalsContact C-N 3.3Å; Y15-Q17 PolarHBondContact O-N 3.35Å; Q17-R21 PolarHBondContact O-N 3.05Å
18C94.1Very high92.8Very high35 Ų3576 Ų7624%0.23636%0.361CS..Hα-helixtrans-60.6-50.5176.4-175.20000110.9E14 Y15 N20 R21 W22 C37 L40E14-C18 WeakPolarHBondContact O-CB 3.25Å; E14-C18 PolarHBondContact O-N 3.13Å; E14-C18 VanDerWaalsContact O-N 3.08Å; Y15-C18 PolarHBondContact O-N 3.33Å; C18-N20 PolarHBondContact O-N 3.15Å; C18-R21 PolarHBondContact O-N 2.82Å; C18-W22 PolarHBondContact O-N 3.29Å; C18-C37 HydrophobicContact CB-CB 3.85Å; C18-C37 WeakPolarHBondContact CB-SG 3.41Å; C18-C37 PolarHBondContact O-SG 3.21Å; C18-C37 VanDerWaalsContact O-SG 3.38Å; C18-C37 VanDerWaalsContact SG-CA 3.51Å; C18-C37 WeakPolarHBondContact SG-CB 3.5Å; C18-C37 CovalentContact SG-SG 2.04Å; C18-C37 PolarHBondContact SG-SG 3.02Å; C18-L40 HydrophobicContact CB-CD1 3.94Å
19F94Very high92.7Very high60 Ų6083.5 Ų83.526%0.26339%0.393SS..Hα-helixtrans-61.4-46.8-178.1177.1-95.7000111.4Y15 R21 W22 F23 C37Y15-F19 HydrophobicContact CE1-CB 4.45Å; Y15-F19 HydrophobicContact CE2-CB 4.18Å; Y15-F19 WeakPolarHBondContact O-CB 3.38Å; Y15-F19 PolarHBondContact O-N 2.74Å; F19-R21 VanDerWaalsContact C-N 3.27Å; F19-R21 PolarHBondContact O-N 3.37Å; F19-W22 HydrophobicContact CD2-CE3 4.05Å; F19-W22 HydrophobicContact CD2-CZ3 4.21Å; F19-W22 HydrophobicContact CE2-CE3 4.02Å; F19-W22 AromaticContact CE2-CZ3 3.75Å; F19-W22 HydrophobicContact CE2-CZ3 3.75Å; F19-W22 PolarHBondContact O-N 3.18Å; F19-F23 HydrophobicContact CD1-CB 4.42Å; F19-F23 HydrophobicContact CE1-CB 4.11Å; F19-F23 HydrophobicContact CE1-CD2 4.29Å; F19-F23 HydrophobicContact CE1-CG 4.21Å; F19-F23 HydrophobicContact CZ-CB 4.28Å; F19-F23 AromaticContact CZ-CD2 3.93Å; F19-F23 HydrophobicContact CZ-CD2 3.93Å; F19-F23 HydrophobicContact CZ-CG 4.28Å; F19-F23 WeakPolarHBondContact O-CB 3.29Å; F19-F23 PolarHBondContact O-N 3.46Å; F19-C37 PolarHBondContact N-SG 3.34Å; F19-C37 VanDerWaalsContact N-SG 3.45Å
20N93.5Very high92.4Very high98 Ų9886 Ų8652%0.52442%0.422SS..Hα-helixtrans-60.3-39.2-179.5-73.9-25.7000112.2D16 C18 A24D16-N20 VanDerWaalsContact O-CB 3.29Å; D16-N20 WeakPolarHBondContact O-CB 3.25Å; D16-N20 PolarHBondContact O-N 3.48Å; D16-N20 PolarHBondContact O-ND2 3.06Å; C18-N20 PolarHBondContact O-N 3.15Å; N20-A24 WeakPolarHBondContact O-CB 3.48Å; N20-A24 PolarHBondContact O-N 3.2Å
21R92.8Very high91.8Very high166 Ų16683.7 Ų83.763%0.62641%0.409SS*.Hα-helixtrans-65.9-51.7175.9-176.7179.4179.4175.12.3111.2Q17 C18 F19 F23 A24 E25Q17-R21 PolarHBondContact O-N 3.05Å; C18-R21 PolarHBondContact O-N 2.82Å; F19-R21 VanDerWaalsContact C-N 3.27Å; F19-R21 PolarHBondContact O-N 3.37Å; R21-F23 VanDerWaalsContact C-N 3.3Å; R21-F23 PolarHBondContact O-N 2.92Å; R21-A24 PolarHBondContact O-N 3.08Å; R21-E25 HydrophobicContact CG-CG 4.37Å; R21-E25 WeakPolarHBondContact CG-OE2 3.43Å; R21-E25 IonicContact NE-OE1 2.8Å; R21-E25 IonicContact NE-OE2 2.68Å; R21-E25 PolarHBondContact NE-OE2 3.2Å; R21-E25 VanDerWaalsContact NE-OE2 3.14Å; R21-E25 IonicContact NH2-OE2 3.78Å; R21-E25 VanDerWaalsContact O-CB 3.29Å; R21-E25 WeakPolarHBondContact O-CB 3.44Å; R21-E25 WeakPolarHBondContact O-CG 3.5Å; R21-E25 PolarHBondContact O-N 2.92Å
22W92.1Very high90.8Very high35 Ų3585.4 Ų85.413%0.13343%0.428CS..Hα-helixtrans-59.8-42.9178.2170.383.4000111.4C18 F19 A24 K26 F27 S33 D35 P36C18-W22 PolarHBondContact O-N 3.29Å; F19-W22 HydrophobicContact CD2-CE3 4.05Å; F19-W22 HydrophobicContact CD2-CZ3 4.21Å; F19-W22 HydrophobicContact CE2-CE3 4.02Å; F19-W22 AromaticContact CE2-CZ3 3.75Å; F19-W22 HydrophobicContact CE2-CZ3 3.75Å; F19-W22 PolarHBondContact O-N 3.18Å; W22-A24 PolarHBondContact O-N 3.37Å; W22-K26 HydrophobicContact CG-CB 4.41Å; W22-K26 WeakPolarHBondContact O-CA 3.07Å; W22-K26 WeakPolarHBondContact O-CB 3.49Å; W22-K26 PolarHBondContact O-N 2.85Å; W22-F27 HydrophobicContact CE3-CB 4.39Å; W22-F27 HydrophobicContact CH2-CB 3.93Å; W22-F27 AromaticContact CH2-CD2 3.6Å; W22-F27 HydrophobicContact CH2-CD2 3.6Å; W22-F27 HydrophobicContact CH2-CE2 4.45Å; W22-F27 HydrophobicContact CH2-CG 4.01Å; W22-F27 HydrophobicContact CZ2-CB 4.18Å; W22-F27 HydrophobicContact CZ2-CD2 4.1Å; W22-F27 HydrophobicContact CZ3-CB 4.03Å; W22-F27 HydrophobicContact CZ3-CD2 4.3Å; W22-F27 HydrophobicContact CZ3-CG 4.29Å; W22-F27 PolarHBondContact O-N 3.45Å; W22-F27 VanDerWaalsContact O-N 3.17Å; W22-S33 PolarHBondContact NE1-O 3.09Å; W22-D35 HydrophobicContact CZ2-CB 4.28Å; W22-P36 HydrophobicContact CB-CG 4.49Å; W22-P36 HydrophobicContact CG-CG 4.5Å
23F91.6Very high89.6Confident73 Ų7386.4 Ų86.432%0.3244%0.44SS..Hα-helixtrans-61.1-48.8179.9-174.9-103.9000111.6F19 R21 F27 L28F19-F23 HydrophobicContact CD1-CB 4.42Å; F19-F23 HydrophobicContact CE1-CB 4.11Å; F19-F23 HydrophobicContact CE1-CD2 4.29Å; F19-F23 HydrophobicContact CE1-CG 4.21Å; F19-F23 HydrophobicContact CZ-CB 4.28Å; F19-F23 AromaticContact CZ-CD2 3.93Å; F19-F23 HydrophobicContact CZ-CD2 3.93Å; F19-F23 HydrophobicContact CZ-CG 4.28Å; F19-F23 WeakPolarHBondContact O-CB 3.29Å; F19-F23 PolarHBondContact O-N 3.46Å; R21-F23 VanDerWaalsContact C-N 3.3Å; R21-F23 PolarHBondContact O-N 2.92Å; F23-F27 HydrophobicContact CD2-CB 4.11Å; F23-F27 AromaticContact CD2-CD1 3.65Å; F23-F27 HydrophobicContact CD2-CD1 3.65Å; F23-F27 HydrophobicContact CD2-CE1 4.43Å; F23-F27 HydrophobicContact CD2-CG 4.12Å; F23-F27 AromaticContact CE2-CD1 3.41Å; F23-F27 HydrophobicContact CE2-CD1 3.41Å; F23-F27 VanDerWaalsContact CE2-CD1 3.41Å; F23-F27 AromaticContact CE2-CE1 3.83Å; F23-F27 HydrophobicContact CE2-CE1 3.83Å; F23-F27 HydrophobicContact CE2-CG 4.31Å; F23-F27 HydrophobicContact CZ-CD1 4.34Å; F23-F27 PolarHBondContact O-N 3.18Å; F23-L28 HydrophobicContact CD1-CD1 4.05Å; F23-L28 HydrophobicContact CD1-CG 4.14Å; F23-L28 HydrophobicContact CE1-CD1 3.76Å; F23-L28 HydrophobicContact CE1-CD2 3.96Å; F23-L28 HydrophobicContact CE1-CG 3.85Å; F23-L28 HydrophobicContact CE2-CD2 4.4Å; F23-L28 HydrophobicContact CZ-CD1 4.44Å; F23-L28 HydrophobicContact CZ-CD2 3.79Å; F23-L28 HydrophobicContact CZ-CG 4.1Å; F23-L28 WeakPolarHBondContact O-CB 3.48Å; F23-L28 WeakPolarHBondContact O-CG 3.05Å; F23-L28 PolarHBondContact O-N 3.07Å
24A92.1Very high88.6Confident51 Ų5183.6 Ų83.642%0.42145%0.45SS..Hα-helixtrans-72.5-38.3-179.200000113.7N20 R21 W22N20-A24 WeakPolarHBondContact O-CB 3.48Å; N20-A24 PolarHBondContact O-N 3.2Å; R21-A24 PolarHBondContact O-N 3.08Å; W22-A24 PolarHBondContact O-N 3.37Å
25E90Very high87.9Confident90 Ų9080.6 Ų80.642%0.42144%0.437SS..Hα-helixtrans-89.7-29.4-173.2-66.1-176.7166.200113.5R21 K29R21-E25 HydrophobicContact CG-CG 4.37Å; R21-E25 WeakPolarHBondContact CG-OE2 3.43Å; R21-E25 IonicContact NE-OE1 2.8Å; R21-E25 IonicContact NE-OE2 2.68Å; R21-E25 PolarHBondContact NE-OE2 3.2Å; R21-E25 VanDerWaalsContact NE-OE2 3.14Å; R21-E25 IonicContact NH2-OE2 3.78Å; R21-E25 VanDerWaalsContact O-CB 3.29Å; R21-E25 WeakPolarHBondContact O-CB 3.44Å; R21-E25 WeakPolarHBondContact O-CG 3.5Å; R21-E25 PolarHBondContact O-N 2.92Å; E25-K29 VanDerWaalsContact O-CD 3.25Å; E25-K29 WeakPolarHBondContact O-CD 3.19Å
26K88.3Confident87.5Confident78 Ų7883.5 Ų83.534%0.33946%0.46SS..THydrogen-bonded Turntrans-114.3-66.4-172.6-57-55.9-155.8159.70111.4W22 L28 K29 G30 D31W22-K26 HydrophobicContact CG-CB 4.41Å; W22-K26 WeakPolarHBondContact O-CA 3.07Å; W22-K26 WeakPolarHBondContact O-CB 3.49Å; W22-K26 PolarHBondContact O-N 2.85Å; K26-L28 PolarHBondContact O-N 3.48Å; K26-K29 CarbonylContact O-C 3.57Å; K26-K29 PolarHBondContact O-N 2.93Å; K26-G30 PolarHBondContact O-N 3.08Å; K26-D31 CarbonylContact C-O 3.2Å; K26-D31 HydrophobicContact CB-CB 4.37Å; K26-D31 HydrophobicContact CD-CB 4.27Å; K26-D31 WeakPolarHBondContact CD-OD2 3.29Å; K26-D31 IonicContact NZ-OD2 3.84Å; K26-D31 PolarHBondContact NZ-OD2 3.33Å; K26-D31 PolarHBondContact O-N 3.49Å
27F89.6Confident87.4Confident111 Ų11181.3 Ų81.349%0.48745%0.448SS..G310 helixtrans-59.7-50.9-171.4-173.3-97.3000112.4W22 F23 K29 G30W22-F27 HydrophobicContact CE3-CB 4.39Å; W22-F27 HydrophobicContact CH2-CB 3.93Å; W22-F27 AromaticContact CH2-CD2 3.6Å; W22-F27 HydrophobicContact CH2-CD2 3.6Å; W22-F27 HydrophobicContact CH2-CE2 4.45Å; W22-F27 HydrophobicContact CH2-CG 4.01Å; W22-F27 HydrophobicContact CZ2-CB 4.18Å; W22-F27 HydrophobicContact CZ2-CD2 4.1Å; W22-F27 HydrophobicContact CZ3-CB 4.03Å; W22-F27 HydrophobicContact CZ3-CD2 4.3Å; W22-F27 HydrophobicContact CZ3-CG 4.29Å; W22-F27 PolarHBondContact O-N 3.45Å; W22-F27 VanDerWaalsContact O-N 3.17Å; F23-F27 HydrophobicContact CD2-CB 4.11Å; F23-F27 AromaticContact CD2-CD1 3.65Å; F23-F27 HydrophobicContact CD2-CD1 3.65Å; F23-F27 HydrophobicContact CD2-CE1 4.43Å; F23-F27 HydrophobicContact CD2-CG 4.12Å; F23-F27 AromaticContact CE2-CD1 3.41Å; F23-F27 HydrophobicContact CE2-CD1 3.41Å; F23-F27 VanDerWaalsContact CE2-CD1 3.41Å; F23-F27 AromaticContact CE2-CE1 3.83Å; F23-F27 HydrophobicContact CE2-CE1 3.83Å; F23-F27 HydrophobicContact CE2-CG 4.31Å; F23-F27 HydrophobicContact CZ-CD1 4.34Å; F23-F27 PolarHBondContact O-N 3.18Å; F27-K29 PolarHBondContact O-N 3.18Å; F27-G30 PolarHBondContact O-N 3.34Å; F27-G30 VanDerWaalsContact O-N 3.09Å
28L91.7Very high87.3Confident114 Ų11477.1 Ų77.160%0.59743%0.433SS*.G310 helixtrans-66.6-19.6178.7-71.1-176.4000113.9F23 K26 G30F23-L28 HydrophobicContact CD1-CD1 4.05Å; F23-L28 HydrophobicContact CD1-CG 4.14Å; F23-L28 HydrophobicContact CE1-CD1 3.76Å; F23-L28 HydrophobicContact CE1-CD2 3.96Å; F23-L28 HydrophobicContact CE1-CG 3.85Å; F23-L28 HydrophobicContact CE2-CD2 4.4Å; F23-L28 HydrophobicContact CZ-CD1 4.44Å; F23-L28 HydrophobicContact CZ-CD2 3.79Å; F23-L28 HydrophobicContact CZ-CG 4.1Å; F23-L28 WeakPolarHBondContact O-CB 3.48Å; F23-L28 WeakPolarHBondContact O-CG 3.05Å; F23-L28 PolarHBondContact O-N 3.07Å; K26-L28 PolarHBondContact O-N 3.48Å; L28-G30 VanDerWaalsContact C-N 3.33Å
29K90.6Very high87.2Confident158 Ų15880.6 Ų80.669%0.68745%0.449SS*.G310 helixtrans-91.63.8177-58.5-167.7-168.3165.90112.8E25 K26 F27 D31E25-K29 VanDerWaalsContact O-CD 3.25Å; E25-K29 WeakPolarHBondContact O-CD 3.19Å; K26-K29 CarbonylContact O-C 3.57Å; K26-K29 PolarHBondContact O-N 2.93Å; F27-K29 PolarHBondContact O-N 3.18Å; K29-D31 VanDerWaalsContact C-N 3.29Å
30G88.1Confident87.2Confident68 Ų6880.3 Ų80.370%0.70145%0.45SS*.THydrogen-bonded Turntrans799-178.800000114.2K26 F27 L28 S32K26-G30 PolarHBondContact O-N 3.08Å; F27-G30 PolarHBondContact O-N 3.34Å; F27-G30 VanDerWaalsContact O-N 3.09Å; L28-G30 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 2.76Å
31D81.3Confident87.2Confident62 Ų6279 Ų7933%0.33244%0.44SS..  trans-88.3104.2173.3-174.4-2.3000108.5K26 K29 S33K26-D31 CarbonylContact C-O 3.2Å; K26-D31 HydrophobicContact CB-CB 4.37Å; K26-D31 HydrophobicContact CD-CB 4.27Å; K26-D31 WeakPolarHBondContact CD-OD2 3.29Å; K26-D31 IonicContact NZ-OD2 3.84Å; K26-D31 PolarHBondContact NZ-OD2 3.33Å; K26-D31 PolarHBondContact O-N 3.49Å; K29-D31 VanDerWaalsContact C-N 3.29Å; D31-S33 VanDerWaalsContact C-N 3.26Å; D31-S33 PolarHBondContact O-N 2.81Å; D31-S33 VanDerWaalsContact OD1-CB 3.28Å; D31-S33 WeakPolarHBondContact OD1-CB 3.47Å; D31-S33 PolarHBondContact OD1-N 3.25Å; D31-S33 PolarHBondContact OD1-OG 3.33Å; D31-S33 PolarHBondContact OD2-OG 3.49Å; D31-S33 VanDerWaalsContact OD2-OG 3.14Å
32S72Confident87.3Confident105 Ų10576.4 Ų76.473%0.73443%0.433SS*.  trans-91.321.3178.1690000112.7G30 G34G30-S32 PolarHBondContact O-N 2.76Å; S32-G34 PolarHBondContact O-N 3.09Å
33S68.9Low87.3Confident55 Ų5582.9 Ų82.939%0.38546%0.457SS..  trans-54.8130.3169.740.30000109W22 D31W22-S33 PolarHBondContact NE1-O 3.09Å; D31-S33 VanDerWaalsContact C-N 3.26Å; D31-S33 PolarHBondContact O-N 2.81Å; D31-S33 VanDerWaalsContact OD1-CB 3.28Å; D31-S33 WeakPolarHBondContact OD1-CB 3.47Å; D31-S33 PolarHBondContact OD1-N 3.25Å; D31-S33 PolarHBondContact OD1-OG 3.33Å; D31-S33 PolarHBondContact OD2-OG 3.49Å; D31-S33 VanDerWaalsContact OD2-OG 3.14Å
34G72.8Confident87.5Confident67 Ų6781 Ų8169%0.69145%0.448SS*.  trans-49.9154.7-161.700000114.5S32 P36S32-G34 PolarHBondContact O-N 3.09Å; G34-P36 WeakPolarHBondContact O-CD 3.37Å
35D78.1Confident87.6Confident47 Ų4782.1 Ų82.125%0.25145%0.445SS..  trans-70.3110.2-172.8-174.9-3.8000111.4W22 C37 T38W22-D35 HydrophobicContact CZ2-CB 4.28Å; D35-C37 PolarHBondContact O-N 3.49Å; D35-C37 WeakPolarHBondContact OD1-CA 3.33Å; D35-C37 WeakPolarHBondContact OD1-CB 3.28Å; D35-C37 PolarHBondContact OD1-N 2.86Å; D35-C37 PolarHBondContact OD1-SG 3.41Å; D35-T38 PolarHBondContact O-N 2.77Å; D35-T38 PolarHBondContact O-OG1 3.39Å
36P87.4Confident87.8Confident92 Ų9284.2 Ų84.260%0.59745%0.454SS*.THydrogen-bonded Turntrans-68.9-14178.631.8-35.2000112.3W22 G34 T38W22-P36 HydrophobicContact CB-CG 4.49Å; W22-P36 HydrophobicContact CG-CG 4.5Å; G34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-T38 VanDerWaalsContact C-N 3.33Å
37C92.7Very high88.1Confident0 Ų081.8 Ų81.80%045%0.447CS..THydrogen-bonded Turntrans-89.40.4-177-45.70000112.7Y15 C18 F19 D35 D39 L40 F41Y15-C37 HydrophobicContact CD2-CB 4.19Å; Y15-C37 HydrophobicContact CE2-CB 4.16Å; C18-C37 HydrophobicContact CB-CB 3.85Å; C18-C37 WeakPolarHBondContact CB-SG 3.41Å; C18-C37 PolarHBondContact O-SG 3.21Å; C18-C37 VanDerWaalsContact O-SG 3.38Å; C18-C37 VanDerWaalsContact SG-CA 3.51Å; C18-C37 WeakPolarHBondContact SG-CB 3.5Å; C18-C37 CovalentContact SG-SG 2.04Å; C18-C37 PolarHBondContact SG-SG 3.02Å; F19-C37 PolarHBondContact N-SG 3.34Å; F19-C37 VanDerWaalsContact N-SG 3.45Å; D35-C37 PolarHBondContact O-N 3.49Å; D35-C37 WeakPolarHBondContact OD1-CA 3.33Å; D35-C37 WeakPolarHBondContact OD1-CB 3.28Å; D35-C37 PolarHBondContact OD1-N 2.86Å; D35-C37 PolarHBondContact OD1-SG 3.41Å; C37-D39 VanDerWaalsContact C-N 3.3Å; C37-D39 PolarHBondContact O-N 3.13Å; C37-L40 PolarHBondContact O-N 3.04Å; C37-F41 WeakPolarHBondContact O-CB 3.35Å; C37-F41 PolarHBondContact O-N 3.05Å
38T91.8Very high88.3Confident55 Ų5577.5 Ų77.534%0.33743%0.43SS..Hα-helixtrans-56.1-40.3-175.8-56.90000112.9D35 P36 F41 K42D35-T38 PolarHBondContact O-N 2.77Å; D35-T38 PolarHBondContact O-OG1 3.39Å; P36-T38 VanDerWaalsContact C-N 3.33Å; T38-F41 WeakPolarHBondContact O-CB 3.13Å; T38-F41 PolarHBondContact O-N 3.49Å; T38-K42 WeakPolarHBondContact O-CG 3.43Å; T38-K42 PolarHBondContact O-N 3.03Å
39D92.7Very high88.4Confident107 Ų10776.7 Ų76.757%0.57242%0.423SS*.Hα-helixtrans-73.7-35.4-178.8-70.2-26.3000112.6C37 F41 K42 R43C37-D39 VanDerWaalsContact C-N 3.3Å; C37-D39 PolarHBondContact O-N 3.13Å; D39-F41 VanDerWaalsContact C-N 3.34Å; D39-K42 IonicContact OD1-NZ 3.96Å; D39-R43 WeakPolarHBondContact O-CG 3.35Å; D39-R43 PolarHBondContact O-N 2.92Å
40L92.8Very high88.6Confident55 Ų5575.5 Ų75.529%0.28842%0.418SS..Hα-helixtrans-64.6-43.2171.1-65.5173.8000110.3Y15 C18 C37 K42 R43 Y44Y15-L40 HydrophobicContact CD2-CB 4.42Å; C18-L40 HydrophobicContact CB-CD1 3.94Å; C37-L40 PolarHBondContact O-N 3.04Å; L40-K42 PolarHBondContact O-N 3.41Å; L40-R43 PolarHBondContact O-N 3.43Å; L40-Y44 WeakPolarHBondContact O-CB 3.45Å; L40-Y44 PolarHBondContact O-N 3.41Å
41F93.9Very high88.9Confident71 Ų7172.6 Ų72.631%0.31139%0.387SS..Hα-helixtrans-59.8-47.5178.4-176.6-117000111.9Y15 C37 T38 D39 R43 Y44 Q45Y15-F41 HydrophobicContact CD1-CD2 4.36Å; Y15-F41 HydrophobicContact CD2-CB 3.76Å; Y15-F41 HydrophobicContact CD2-CD2 4.15Å; Y15-F41 HydrophobicContact CD2-CG 4.43Å; Y15-F41 AromaticContact CE1-CD2 3.81Å; Y15-F41 HydrophobicContact CE1-CD2 3.81Å; Y15-F41 HydrophobicContact CE1-CE2 4.33Å; Y15-F41 HydrophobicContact CE2-CB 3.51Å; Y15-F41 AromaticContact CE2-CD2 3.6Å; Y15-F41 HydrophobicContact CE2-CD2 3.6Å; Y15-F41 AromaticContact CE2-CG 3.88Å; Y15-F41 HydrophobicContact CE2-CG 3.88Å; Y15-F41 HydrophobicContact CG-CD2 4.5Å; Y15-F41 AromaticContact CZ-CD2 3.39Å; C37-F41 WeakPolarHBondContact O-CB 3.35Å; C37-F41 PolarHBondContact O-N 3.05Å; T38-F41 WeakPolarHBondContact O-CB 3.13Å; T38-F41 PolarHBondContact O-N 3.49Å; D39-F41 VanDerWaalsContact C-N 3.34Å; F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 3.42Å; F41-Y44 HydrophobicContact CD2-CD1 4.38Å; F41-Y44 PolarHBondContact O-N 2.74Å; F41-Q45 HydrophobicContact CE1-CB 4.5Å; F41-Q45 HydrophobicContact CZ-CB 4.38Å; F41-Q45 HydrophobicContact CZ-CG 4.47Å; F41-Q45 WeakPolarHBondContact O-CB 3.06Å; F41-Q45 PolarHBondContact O-N 3.25Å
42K94.5Very high89.4Confident110 Ų11070.9 Ų70.948%0.47838%0.378SS..Hα-helixtrans-56.3-44.6179-76.2171.4-175.5163.90112.3T38 D39 L40 Q46T38-K42 WeakPolarHBondContact O-CG 3.43Å; T38-K42 PolarHBondContact O-N 3.03Å; D39-K42 IonicContact OD1-NZ 3.96Å; L40-K42 PolarHBondContact O-N 3.41Å; K42-Q46 VanDerWaalsContact O-CG 3.28Å; K42-Q46 WeakPolarHBondContact O-CG 3.29Å; K42-Q46 PolarHBondContact O-N 3.14Å; K42-Q46 VanDerWaalsContact O-N 3.09Å
43R93.5Very high90.4Very high172 Ų17272.7 Ų72.765%0.64937%0.372SS*.Hα-helixtrans-65.5-47.3178.8-66.2177.6-173.9-161.21.7111.4M11 D39 L40 F41 Q46 C47M11-R43 HydrophobicContact SD-CB 4.49Å; D39-R43 WeakPolarHBondContact O-CG 3.35Å; D39-R43 PolarHBondContact O-N 2.92Å; L40-R43 PolarHBondContact O-N 3.43Å; F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 3.42Å; R43-Q46 PolarHBondContact O-N 3Å; R43-C47 PolarHBondContact O-N 3.38Å
44Y94.1Very high91.5Very high33 Ų3376.4 Ų76.413%0.12938%0.384CS..Hα-helixtrans-61.5-45.7177.2168.3-114.9000112.1C8 M11 K12 Y15 L40 F41 Q46 C47 V48C8-Y44 HydrophobicContact CB-CD2 4.45Å; C8-Y44 HydrophobicContact CB-CE2 4.43Å; M11-Y44 HydrophobicContact CB-CD2 4.39Å; K12-Y44 HydrophobicContact CB-CD2 3.92Å; K12-Y44 HydrophobicContact CB-CE2 3.47Å; K12-Y44 VanDerWaalsContact CB-CE2 3.47Å; K12-Y44 HydrophobicContact CD-CE2 4.26Å; K12-Y44 HydrophobicContact CG-CE2 3.92Å; Y15-Y44 HydrophobicContact CD1-CD1 4.06Å; Y15-Y44 HydrophobicContact CD1-CE1 4.37Å; Y15-Y44 HydrophobicContact CG-CD1 4.5Å; L40-Y44 WeakPolarHBondContact O-CB 3.45Å; L40-Y44 PolarHBondContact O-N 3.41Å; F41-Y44 HydrophobicContact CD2-CD1 4.38Å; F41-Y44 PolarHBondContact O-N 2.74Å; Y44-Q46 PolarHBondContact O-N 3.3Å; Y44-C47 WeakPolarHBondContact O-CB 3.14Å; Y44-C47 PolarHBondContact O-N 3.26Å; Y44-V48 HydrophobicContact CD2-CG2 3.79Å; Y44-V48 HydrophobicContact CE1-CG2 4.3Å; Y44-V48 HydrophobicContact CE2-CG2 3.2Å; Y44-V48 WeakPolarHBondContact O-CG2 3.48Å; Y44-V48 PolarHBondContact O-N 3.31Å
45Q94.3Very high92.4Very high75 Ų7579.1 Ų79.135%0.3538%0.377SS..Hα-helixtrans-59.9-45.7179.8-176.5-178.29.700111.5F41 C47 V48 Q49F41-Q45 HydrophobicContact CE1-CB 4.5Å; F41-Q45 HydrophobicContact CZ-CB 4.38Å; F41-Q45 HydrophobicContact CZ-CG 4.47Å; F41-Q45 WeakPolarHBondContact O-CB 3.06Å; F41-Q45 PolarHBondContact O-N 3.25Å; Q45-C47 VanDerWaalsContact C-N 3.33Å; Q45-C47 PolarHBondContact O-N 3.45Å; Q45-V48 PolarHBondContact O-N 3.43Å; Q45-Q49 HydrophobicContact CG-CG 4.37Å; Q45-Q49 WeakPolarHBondContact O-CB 3.48Å; Q45-Q49 WeakPolarHBondContact O-CG 3.39Å; Q45-Q49 PolarHBondContact O-N 3.17Å
46Q94.9Very high93.1Very high133 Ų13385.4 Ų85.462%0.62140%0.404SS*.Hα-helixtrans-60.2-43.5176.3-74.4174.1-9.700111.8K42 R43 Y44 K50K42-Q46 VanDerWaalsContact O-CG 3.28Å; K42-Q46 WeakPolarHBondContact O-CG 3.29Å; K42-Q46 PolarHBondContact O-N 3.14Å; K42-Q46 VanDerWaalsContact O-N 3.09Å; R43-Q46 PolarHBondContact O-N 3Å; Y44-Q46 PolarHBondContact O-N 3.3Å; Q46-K50 PolarHBondContact O-N 3.25Å
47C94.6Very high93.3Very high28 Ų2884.3 Ų84.319%0.18939%0.393CS..Hα-helixtrans-61.6-47.5176.9-171.30000111.5C8 M11 R43 Y44 Q45 K50 A51C8-C47 WeakPolarHBondContact CA-SG 3.38Å; C8-C47 HydrophobicContact CB-CB 3.89Å; C8-C47 WeakPolarHBondContact CB-SG 3.43Å; C8-C47 WeakPolarHBondContact SG-CB 3.26Å; C8-C47 PolarHBondContact SG-O 3.15Å; C8-C47 VanDerWaalsContact SG-O 3.37Å; C8-C47 CovalentContact SG-SG 2.04Å; C8-C47 PolarHBondContact SG-SG 3.12Å; M11-C47 HydrophobicContact CE-CB 4.16Å; M11-C47 HydrophobicContact SD-CB 4.34Å; R43-C47 PolarHBondContact O-N 3.38Å; Y44-C47 WeakPolarHBondContact O-CB 3.14Å; Y44-C47 PolarHBondContact O-N 3.26Å; Q45-C47 VanDerWaalsContact C-N 3.33Å; Q45-C47 PolarHBondContact O-N 3.45Å; C47-K50 PolarHBondContact O-N 2.99Å; C47-A51 PolarHBondContact O-N 3.36Å; C47-A51 VanDerWaalsContact O-N 3.08Å
48V94.7Very high93.1Very high21 Ų2189.8 Ų89.813%0.12743%0.428CS..Hα-helixtrans-69.4-41.1-178168.70000112.2V4 C8 Y44 Q45 K50 A51 I52V4-V48 HydrophobicContact CG1-CG1 3.92Å; C8-V48 HydrophobicContact CB-CG2 3.99Å; Y44-V48 HydrophobicContact CD2-CG2 3.79Å; Y44-V48 HydrophobicContact CE1-CG2 4.3Å; Y44-V48 HydrophobicContact CE2-CG2 3.2Å; Y44-V48 WeakPolarHBondContact O-CG2 3.48Å; Y44-V48 PolarHBondContact O-N 3.31Å; Q45-V48 PolarHBondContact O-N 3.43Å; V48-K50 PolarHBondContact O-N 2.04Å; V48-A51 PolarHBondContact O-N 3.21Å; V48-A51 VanDerWaalsContact O-N 3.13Å; V48-I52 HydrophobicContact CG1-CD1 3.54Å; V48-I52 HydrophobicContact CG1-CG1 4.04Å; V48-I52 WeakPolarHBondContact O-CB 3.35Å; V48-I52 VanDerWaalsContact O-CG1 3.25Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 3.07Å
49Q93.4Very high92.9Very high97 Ų9791.2 Ų91.245%0.45343%0.433SS..Hα-helixtrans-58.6-39.6175.7-79.1-178.3-12.700111.8Q45 K53Q45-Q49 HydrophobicContact CG-CG 4.37Å; Q45-Q49 WeakPolarHBondContact O-CB 3.48Å; Q45-Q49 WeakPolarHBondContact O-CG 3.39Å; Q45-Q49 PolarHBondContact O-N 3.17Å; Q49-K53 WeakPolarHBondContact O-CG 3.25Å; Q49-K53 PolarHBondContact O-N 2.8Å
50K93.9Very high92.6Very high132 Ų13293.8 Ų93.857%0.57444%0.442SS*.Hα-helixtrans-62.6-49.9173.3-179.3176.6171.4179.90111.3Q46 C47 V48 I52 K53 E54Q46-K50 PolarHBondContact O-N 3.25Å; C47-K50 PolarHBondContact O-N 2.99Å; V48-K50 PolarHBondContact O-N 2.04Å; K50-I52 VanDerWaalsContact C-N 3.3Å; K50-I52 PolarHBondContact O-N 2.9Å; K50-K53 PolarHBondContact O-N 2.89Å; K50-E54 WeakPolarHBondContact CE-OE1 3.2Å; K50-E54 IonicContact NZ-OE1 2.9Å; K50-E54 WeakPolarHBondContact O-CG 3.37Å; K50-E54 PolarHBondContact O-N 2.96Å
51A93.8Very high92.2Very high7 Ų795.1 Ų95.16%0.05847%0.468CS..Hα-helixtrans-62.4-35-18000000113.3V4 C47 V48 K55V4-A51 HydrophobicContact CG1-CB 4.13Å; C47-A51 PolarHBondContact O-N 3.36Å; C47-A51 VanDerWaalsContact O-N 3.08Å; V48-A51 PolarHBondContact O-N 3.21Å; V48-A51 VanDerWaalsContact O-N 3.13Å; A51-K55 WeakPolarHBondContact O-CB 3.42Å; A51-K55 WeakPolarHBondContact O-CG 3.2Å; A51-K55 PolarHBondContact O-N 2.7Å
52I93.7Very high91.8Very high27 Ų2798 Ų9814%0.13849%0.486CS..Hα-helixtrans-65.1-43.9176.2-75.4174.2000111V4 V48 K50 K55 E56 I57 I59V4-I52 HydrophobicContact CG1-CG1 4.13Å; V48-I52 HydrophobicContact CG1-CD1 3.54Å; V48-I52 HydrophobicContact CG1-CG1 4.04Å; V48-I52 WeakPolarHBondContact O-CB 3.35Å; V48-I52 VanDerWaalsContact O-CG1 3.25Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 3.07Å; K50-I52 VanDerWaalsContact C-N 3.3Å; K50-I52 PolarHBondContact O-N 2.9Å; I52-K55 PolarHBondContact O-N 3.2Å; I52-E56 PolarHBondContact O-N 3.41Å; I52-E56 VanDerWaalsContact O-N 3.12Å; I52-I57 HydrophobicContact CG2-CB 4.14Å; I52-I57 PolarHBondContact O-N 3.48Å; I52-I59 HydrophobicContact CD1-CD1 3.84Å; I52-I59 HydrophobicContact CG2-CD1 3.77Å; I52-I59 HydrophobicContact CG2-CG1 3.77Å
53K91.9Very high91.4Very high142 Ų14298.5 Ų98.562%0.61749%0.49SS*.Hα-helixtrans-65.2-44.4176.5-71.6179179.7-171.50111.8Q49 K50 K55 E56Q49-K53 WeakPolarHBondContact O-CG 3.25Å; Q49-K53 PolarHBondContact O-N 2.8Å; K50-K53 PolarHBondContact O-N 2.89Å; K53-K55 VanDerWaalsContact C-N 3.25Å; K53-K55 PolarHBondContact O-N 2.9Å; K53-E56 PolarHBondContact O-N 2.94Å; K53-E56 VanDerWaalsContact O-N 3.15Å
54E93Very high91Very high133 Ų13399 Ų9962%0.62150%0.498SS*.Hα-helixtrans-64.1-30.1178.3-73174.3173.500113K50K50-E54 WeakPolarHBondContact CE-OE1 3.2Å; K50-E54 IonicContact NZ-OE1 2.9Å; K50-E54 WeakPolarHBondContact O-CG 3.37Å; K50-E54 PolarHBondContact O-N 2.96Å
55K91.9Very high90.5Very high125 Ų125105.2 Ų105.254%0.54353%0.53SS..THydrogen-bonded Turntrans-94.36.3177.2-68.1-173.9172.8-167.40113.7V4 A51 I52 K53 I57V4-K55 HydrophobicContact CG2-CD 4.05Å; V4-K55 WeakPolarHBondContact O-CE 3.41Å; V4-K55 PolarHBondContact O-NZ 2.68Å; A51-K55 WeakPolarHBondContact O-CB 3.42Å; A51-K55 WeakPolarHBondContact O-CG 3.2Å; A51-K55 PolarHBondContact O-N 2.7Å; I52-K55 PolarHBondContact O-N 3.2Å; K53-K55 VanDerWaalsContact C-N 3.25Å; K53-K55 PolarHBondContact O-N 2.9Å; K55-I57 HydrophobicContact CB-CD1 4.04Å; K55-I57 HydrophobicContact CB-CG1 3.91Å; K55-I57 PolarHBondContact O-N 3.17Å
56E91.3Very high89.6Confident178 Ų178103.5 Ų103.583%0.83253%0.532SS*.THydrogen-bonded Turntrans51.238.9179.3-57.9-170.2108.400113.9I52 K53 P58I52-E56 PolarHBondContact O-N 3.41Å; I52-E56 VanDerWaalsContact O-N 3.12Å; K53-E56 PolarHBondContact O-N 2.94Å; K53-E56 VanDerWaalsContact O-N 3.15Å; E56-P58 WeakPolarHBondContact O-CD 3.28Å
57I92.1Very high88.4Confident69 Ų69104.5 Ų104.535%0.35454%0.536SS..  trans-81.5118.9-179.1-55.8173.8000109.1V4 I52 K55 I59V4-I57 HydrophobicContact CG2-CD1 3.57Å; I52-I57 HydrophobicContact CG2-CB 4.14Å; I52-I57 PolarHBondContact O-N 3.48Å; K55-I57 HydrophobicContact CB-CD1 4.04Å; K55-I57 HydrophobicContact CB-CG1 3.91Å; K55-I57 PolarHBondContact O-N 3.17Å; I57-I59 HydrophobicContact CG2-CG2 4.05Å; I57-I59 PolarHBondContact O-N 2.83Å
58P88.1Confident86.5Confident115 Ų115106.3 Ų106.375%0.74756%0.56SS**  trans-7993.3-174.931.7-34.6000111E56E56-P58 WeakPolarHBondContact O-CD 3.28Å
59I88.7Confident84.5Confident86 Ų86115.1 Ų115.144%0.44160%0.597SS.*  trans-111.4-15.1174.261157.3000113.5I52 I57I52-I59 HydrophobicContact CD1-CD1 3.84Å; I52-I59 HydrophobicContact CG2-CD1 3.77Å; I52-I59 HydrophobicContact CG2-CG1 3.77Å; I57-I59 HydrophobicContact CG2-CG2 4.05Å; I57-I59 PolarHBondContact O-N 2.83Å
60E86.6Confident82.4Confident161 Ų161119.6 Ų119.675%0.75262%0.618SS**THydrogen-bonded Turntrans-75.2138.1179.8-65.8-175.2176.200110.2L62E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 2.81Å
61G83.1Confident80.2Confident82 Ų82120.8 Ų120.885%0.84562%0.623SS**THydrogen-bonded Turntrans80.51.7-179.500000115.2
62L86.3Confident77.9Confident132 Ų132126 Ų12669%0.69166%0.659SS**PPolyproline II helixtrans-76.1126.9168.1-63.3179.4000109.9E60E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 2.81Å
63E85.9Confident75.6Confident121 Ų121131.3 Ų131.357%0.56568%0.683SS**PPolyproline II helixtrans-80.3141.3175.5-67.1-168.9165.500111.9M65 G66 H67E63-M65 PolarHBondContact O-N 3.32Å; E63-G66 PolarHBondContact O-N 2.73Å; E63-H67 IonicContact OE1-CE1 2.77Å; E63-H67 IonicContact OE2-CE1 3Å; E63-H67 PolarHBondContact OE2-CE1 3.03Å; E63-H67 IonicContact OE2-ND1 3.14Å; E63-H67 PolarHBondContact OE2-ND1 3.22Å
64F85.6Confident73.7Confident182 Ų182132.8 Ų132.880%0.79870%0.698SS**THydrogen-bonded Turntrans-64.5129.1175.3179.6-107.1000110.6G66F64-G66 PolarHBondContact O-N 3.09Å; F64-G66 VanDerWaalsContact O-N 3.13Å
65M83.3Confident71.5Confident164 Ų164131.2 Ų131.281%0.80870%0.701SS**THydrogen-bonded Turntrans61.54.6-170.6-58.7-165.717200115.6E63E63-M65 PolarHBondContact O-N 3.32Å
66G75.2Confident69.3Low39 Ų39134.5 Ų134.540%0.40274%0.74SS.*  trans61.9177.4-17800000113.7E63 F64 G68E63-G66 PolarHBondContact O-N 2.73Å; F64-G66 PolarHBondContact O-N 3.09Å; F64-G66 VanDerWaalsContact O-N 3.13Å; G66-G68 PolarHBondContact O-N 3.46Å
67H68.9Low68.2Low153 Ų153132.4 Ų132.471%0.70874%0.736SS**SBendtrans-65.6116.6156.8-67.119.2000106.1E63 K69E63-H67 IonicContact OE1-CE1 2.77Å; E63-H67 IonicContact OE2-CE1 3Å; E63-H67 PolarHBondContact OE2-CE1 3.03Å; E63-H67 IonicContact OE2-ND1 3.14Å; E63-H67 PolarHBondContact OE2-ND1 3.22Å; H67-K69 PolarHBondContact O-N 3.27Å
68G56.3Low66.9Low67 Ų67135.7 Ų135.769%0.69176%0.756SS**  trans-47.4122.8168.700000107.3G66 E70G66-G68 PolarHBondContact O-N 3.46Å; G68-E70 PolarHBondContact O-N 3.48Å
69K51.3Low65.7Low205 Ų205136.8 Ų136.889%0.89176%0.757SS**  trans-65.680.2165.5-76.4-158.4177.6-174.60106.6H67 K71H67-K69 PolarHBondContact O-N 3.27Å; K69-K71 PolarHBondContact O-N 2.97Å
70E50.7Low64.4Low191 Ų191139.8 Ų139.889%0.89378%0.775SS**  trans-57.4102.6141.7-109.4-175.499.300104.4G68 S72G68-E70 PolarHBondContact O-N 3.48Å; E70-S72 VanDerWaalsContact C-N 3.34Å; E70-S72 PolarHBondContact O-N 2.56Å
71K45.8Very low63Low158 Ų158138.5 Ų138.569%0.68778%0.777SS**  trans-52.6102.2171.8-163.3-172.9-178.4-153.40105.5K69 E73K69-K71 PolarHBondContact O-N 2.97Å; K71-E73 HydrophobicContact CD-CG 3.9Å; K71-E73 HydrophobicContact CG-CG 4Å; K71-E73 IonicContact NZ-OE1 2.74Å; K71-E73 PolarHBondContact NZ-OE1 3.14Å; K71-E73 PolarHBondContact O-N 2.8Å
72S46.8Very low61.7Low116 Ų116142.3 Ų142.381%0.81177%0.772SS**  trans-65.486.8160.748.90000106.3E70 N74E70-S72 VanDerWaalsContact C-N 3.34Å; E70-S72 PolarHBondContact O-N 2.56Å; S72-N74 PolarHBondContact O-N 3.03Å
73E45.8Very low59.9Low138 Ų138143 Ų14365%0.64578%0.778SS**  trans-6687.9161.1-73.4-172.3139.800106.7K71 S75K71-E73 HydrophobicContact CD-CG 3.9Å; K71-E73 HydrophobicContact CG-CG 4Å; K71-E73 IonicContact NZ-OE1 2.74Å; K71-E73 PolarHBondContact NZ-OE1 3.14Å; K71-E73 PolarHBondContact O-N 2.8Å; E73-S75 PolarHBondContact O-N 3.26Å
74N51.3Low57.9Low173 Ų173144.7 Ų144.793%0.92579%0.794SS**  trans-70.590.6150.8-139.358.3000105.5S72S72-N74 PolarHBondContact O-N 3.03Å
75S47.5Very low55.6Low100 Ų100141.6 Ų141.670%0.69979%0.794SS**  trans-140.2109.4166.3-163.60000110.1E73E73-S75 PolarHBondContact O-N 3.26Å
76S44.3Very low53.1Low195 Ų195139.5 Ų139.5100%1.36479%0.792SS**  trans84.80173.1-56.40000116.9

Retrieved 76 of 76 residues in 141.1 ms (Link to these results)