A0A087YL60_POEFO Loading...

Centromere protein V

AlphaFold DB , UniProt , Accession A0A087YL60, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 148 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
1V37.4Very low44.1Very low199 Ų199144.7 Ų144.7100%1.20682%0.82SS**  0109.60-112.50000107.3G3V1-G3 PolarHBondContact O-N 2.86Å
2K36Very low47.9Very low207 Ų207140.9 Ų140.990%0.979%0.79SS**  trans-59.3120.6-178.4-82.7171.8167.2179.30109.2L4K2-L4 PolarHBondContact O-N 3.25Å
3G32.8Very low51.5Low71 Ų71134.5 Ų134.573%0.73275%0.753SS**  trans-73.9117.1164.600000108.3V1 L5V1-G3 PolarHBondContact O-N 2.86Å; G3-L5 PolarHBondContact O-N 2.68Å
4L40.8Very low54.8Low172 Ų172127.3 Ų127.390%0.90171%0.714SS**  trans-60.7109.9168-112.772000107.8K2K2-L4 PolarHBondContact O-N 3.25Å
5L44.2Very low57.7Low152 Ų152124.6 Ų124.680%0.79669%0.691SS**  trans-71.7127.5157.3-74.4160.7000106.3G3 D7G3-L5 PolarHBondContact O-N 2.68Å; L5-D7 PolarHBondContact O-N 3.28Å
6C37.2Very low60.3Low129 Ų129116.8 Ų116.887%0.87265%0.648SS**  trans-67.1110173177.80000107.4C8C6-C8 PolarHBondContact O-N 3.14Å
7D40.6Very low62.5Low143 Ų143112.2 Ų112.277%0.76563%0.626SS**  trans-66101.5177.7-67.9-38000109.1L5 E9L5-D7 PolarHBondContact O-N 3.28Å; D7-E9 VanDerWaalsContact C-N 3.3Å; D7-E9 PolarHBondContact O-N 2.83Å; D7-E9 VanDerWaalsContact O-N 3.15Å
8C43.5Very low64.6Low106 Ų106106 Ų10672%0.71659%0.591SS**  trans-67.494.1153.2159.60000105.9C6 T10C6-C8 PolarHBondContact O-N 3.14Å; C8-T10 VanDerWaalsContact C-N 3.3Å; C8-T10 PolarHBondContact O-N 2.91Å
9E46.1Very low66.4Low182 Ų182100.6 Ų100.685%0.8556%0.562SS**  trans-63.694.4170.6-80.7-176.7153.200108.3D7 M11D7-E9 VanDerWaalsContact C-N 3.3Å; D7-E9 PolarHBondContact O-N 2.83Å; D7-E9 VanDerWaalsContact O-N 3.15Å; E9-M11 PolarHBondContact O-N 3.24Å; E9-M11 VanDerWaalsContact O-N 3.16Å
10T57.4Low68Low122 Ų12295.9 Ų95.975%0.74854%0.536SS*.  trans-59.3115.9165.648.20000107.9C8 E12C8-T10 VanDerWaalsContact C-N 3.3Å; C8-T10 PolarHBondContact O-N 2.91Å; T10-E12 PolarHBondContact O-N 3.3Å
11M69.1Low69.4Low109 Ų10999.1 Ų99.154%0.53755%0.546SS..  trans-56114.4176.6-79.5176.560.600109.5E9 L13E9-M11 PolarHBondContact O-N 3.24Å; E9-M11 VanDerWaalsContact O-N 3.16Å; M11-L13 PolarHBondContact O-N 3.19Å
12E89.3Confident72.4Confident99 Ų9992.3 Ų92.346%0.46351%0.507SS..  trans-59.6120.8171-177-172.4-177.400108.3T10 V14 S32 P33 R115T10-E12 PolarHBondContact O-N 3.3Å; E12-V14 HydrophobicContact CG-CG1 4.48Å; E12-S32 WeakPolarHBondContact O-CA 3.26Å; E12-P33 HydrophobicContact CG-CG 4.48Å; E12-R115 IonicContact OE1-NH1 3.11Å; E12-R115 IonicContact OE2-CZ 3.43Å; E12-R115 IonicContact OE2-NH1 3.48Å; E12-R115 PolarHBondContact OE2-NH1 3.3Å; E12-R115 IonicContact OE2-NH2 3.89Å; E12-R115 PolarHBondContact OE2-NH2 3.12Å
13L95.3Very high75.3Confident58 Ų5883.7 Ų83.730%0.30448%0.477SS..  trans-110.7131.5173.2-62179.9000109.8M11 W30 S31M11-L13 PolarHBondContact O-N 3.19Å; L13-W30 HydrophobicContact CB-CE3 4.43Å; L13-S31 WeakPolarHBondContact CA-O 3.32Å
14V97.7Very high78.5Confident33 Ų3382 Ų8220%0.246%0.457CS..EExtended strand (participates in β ladder)trans-120155.6171.6-56.30000109.8E12 H16 W30 S31 P33E12-V14 HydrophobicContact CG-CG1 4.48Å; V14-H16 WeakPolarHBondContact CG2-CE1 3.46Å; V14-H16 WeakPolarHBondContact CG2-NE2 3.48Å; V14-W30 WeakPolarHBondContact O-CA 3.37Å; V14-S31 PolarHBondContact N-O 2.77Å; V14-S31 PolarHBondContact O-N 2.99Å; V14-S31 VanDerWaalsContact O-N 3.12Å; V14-P33 HydrophobicContact CG1-CB 4.4Å; V14-P33 HydrophobicContact CG1-CG 4.28Å; V14-P33 HydrophobicContact CG2-CB 3.87Å; V14-P33 HydrophobicContact CG2-CG 4.43Å
15K98.4Very high81.3Confident87 Ų8773.9 Ų73.938%0.37841%0.414SS..EExtended strand (participates in β ladder)trans-88.4116.7174.9-170.1175.668.5156.60109.8E28 W30K15-E28 HydrophobicContact CD-CB 4.35Å; K15-E28 HydrophobicContact CD-CG 4.15Å; K15-E28 WeakPolarHBondContact CE-OE1 3.38Å; K15-E28 HydrophobicContact CG-CB 4.32Å; K15-E28 HydrophobicContact CG-CG 4.35Å; K15-E28 IonicContact NZ-OE1 3.93Å; K15-E28 PolarHBondContact NZ-OE1 2.95Å; K15-E28 IonicContact NZ-OE2 3.48Å; K15-W30 HydrophobicContact CB-CD2 3.99Å; K15-W30 HydrophobicContact CB-CE3 3.98Å; K15-W30 HydrophobicContact CB-CH2 3.86Å; K15-W30 HydrophobicContact CB-CZ2 3.84Å; K15-W30 HydrophobicContact CB-CZ3 3.93Å; K15-W30 HydrophobicContact CD-CZ2 3.88Å; K15-W30 HydrophobicContact CG-CD2 4.38Å; K15-W30 HydrophobicContact CG-CZ2 4.16Å
16H98.7Very high83.9Confident0 Ų069.5 Ų69.50%039%0.387CS..EExtended strand (participates in β ladder)trans-95.8136.4169-49.3-86.1000109.8V14 E28 V29 S31 S32 L109 T113V14-H16 WeakPolarHBondContact CG2-CE1 3.46Å; V14-H16 WeakPolarHBondContact CG2-NE2 3.48Å; H16-E28 CarbonylContact O-C 3.57Å; H16-E28 WeakPolarHBondContact O-CA 3.46Å; H16-V29 HydrophobicContact CB-CG1 3.86Å; H16-V29 PolarHBondContact N-O 2.87Å; H16-V29 PolarHBondContact O-N 2.95Å; H16-S31 PolarHBondContact CD2-OG 3.33Å; H16-S31 PolarHBondContact NE2-OG 2.6Å; H16-S32 PolarHBondContact NE2-O 3.36Å; H16-L109 HydrophobicContact CB-CD1 4.13Å; H16-L109 HydrophobicContact CB-CD2 3.88Å; H16-T113 PolarHBondContact CE1-O 2.85Å; H16-T113 VanDerWaalsContact ND1-CB 3.34Å; H16-T113 WeakPolarHBondContact ND1-CB 3.31Å; H16-T113 PolarHBondContact ND1-OG1 2.86Å
17S98.8Very high86.8Confident39 Ų3963.3 Ų63.327%0.27335%0.345SS..EExtended strand (participates in β ladder)trans-95.8151.8164.7-63.50000109.2D110S17-D110 VanDerWaalsContact CB-OD2 3.25Å; S17-D110 WeakPolarHBondContact CB-OD2 3.49Å; S17-D110 PolarHBondContact O-N 3Å
18G98.8Very high89.6Confident0 Ų058.7 Ų58.70%032%0.319CS..EExtended strand (participates in β ladder)trans-167.3-177.9176.300000112.9R26 F27 C108G18-R26 VanDerWaalsContact O-CA 3.32Å; G18-R26 WeakPolarHBondContact O-CA 3.49Å; G18-R26 VanDerWaalsContact O-CZ 3.31Å; G18-R26 PolarHBondContact O-NE 3.17Å; G18-F27 VanDerWaalsContact C-CE1 3.41Å; G18-F27 PolarHBondContact N-O 3.02Å; G18-F27 PolarHBondContact O-N 2.76Å; G18-C108 CarbonylContact C-O 3.47Å; G18-C108 WeakPolarHBondContact CA-O 3.44Å
19G98.8Very high92.2Very high4 Ų453.6 Ų53.64%0.04129%0.285CS..EExtended strand (participates in β ladder)trans178.1-177.5-179.200000114.4V25 F27 S91 C108G19-V25 CarbonylContact C-O 3.57Å; G19-V25 WeakPolarHBondContact CA-O 3.49Å; G19-F27 VanDerWaalsContact N-CE1 3.31Å; G19-S91 WeakPolarHBondContact O-CB 3.19Å; G19-C108 PolarHBondContact N-O 3.44Å; G19-C108 WeakPolarHBondContact O-CB 3.3Å
20C98.8Very high94.7Very high5 Ų550.6 Ų50.63%0.03427%0.265CS..  trans-75.6163.9169.174.50000111C22 G23 V25 C84 V89C20-C22 PolarHBondContact O-N 2.84Å; C20-G23 PolarHBondContact O-N 3.1Å; C20-V25 HydrophobicContact CB-CB 4.06Å; C20-V25 PolarHBondContact N-O 3.46Å; C20-V25 PolarHBondContact SG-N 3.21Å; C20-C84 HydrophobicContact CB-CB 3.61Å; C20-C84 VanDerWaalsContact SG-SG 3.64Å; C20-V89 HydrophobicContact CB-CB 4.13Å; C20-V89 HydrophobicContact CB-CG1 4.32Å
21H98.7Very high96.5Very high164 Ų16445.1 Ų45.176%0.75923%0.232SC*.THydrogen-bonded Turntrans-53.9-45.6-179.3172.562.9000114.6G23 V89H21-G23 PolarHBondContact O-N 3.15Å; H21-V89 HydrophobicContact CB-CG2 3.74Å
22C98.7Very high97.8Very high57 Ų5741.4 Ų41.439%0.38522%0.217SC..THydrogen-bonded Turntrans-77.70.8-177.864.40000114.1C20 A24 C87C20-C22 PolarHBondContact O-N 2.84Å; C22-A24 PolarHBondContact O-N 3.19Å; C22-A24 VanDerWaalsContact O-N 3.1Å; C22-C87 HydrophobicContact CB-CB 3.94Å
23G98.6Very high98.2Very high26 Ų2636.9 Ų36.927%0.26820%0.196SC..SBendtrans75.2-12.1-17900000115.4C20 H21 V25 R26 Q64C20-G23 PolarHBondContact O-N 3.1Å; H21-G23 PolarHBondContact O-N 3.15Å; G23-V25 PolarHBondContact O-N 2.87Å; G23-V25 VanDerWaalsContact O-N 3.12Å; G23-R26 WeakPolarHBondContact O-CD 3.05Å; G23-R26 WeakPolarHBondContact O-CG 3.38Å; G23-Q64 PolarHBondContact O-NE2 2.69Å
24A98.8Very high98.3Very high36 Ų3636.8 Ų36.830%0.29820%0.196SC..SBendtrans-62.5-22.2-177.400000114.4C22 G65 N68C22-A24 PolarHBondContact O-N 3.19Å; C22-A24 VanDerWaalsContact O-N 3.1Å; A24-G65 WeakPolarHBondContact O-CA 3.46Å; A24-N68 HydrophobicContact CB-CB 4.48Å; A24-N68 WeakPolarHBondContact CB-ND2 3.43Å
25V98.9Very high98.3Very high0 Ų035.5 Ų35.50%019%0.188CC..SBendtrans-116.8125.3172.7176.80000108.3G19 C20 G23 L62 Q64 N68 L69 C84 F92G19-V25 CarbonylContact C-O 3.57Å; G19-V25 WeakPolarHBondContact CA-O 3.49Å; C20-V25 HydrophobicContact CB-CB 4.06Å; C20-V25 PolarHBondContact N-O 3.46Å; C20-V25 PolarHBondContact SG-N 3.21Å; G23-V25 PolarHBondContact O-N 2.87Å; G23-V25 VanDerWaalsContact O-N 3.12Å; V25-L62 HydrophobicContact CG1-CD1 3.99Å; V25-Q64 WeakPolarHBondContact CA-O 3.17Å; V25-N68 HydrophobicContact CG2-CB 4.36Å; V25-L69 HydrophobicContact CB-CD2 4.42Å; V25-L69 HydrophobicContact CG1-CD2 3.82Å; V25-L69 HydrophobicContact CG2-CD2 3.71Å; V25-L69 HydrophobicContact CG2-CG 4.15Å; V25-C84 HydrophobicContact CG2-CB 4.08Å; V25-F92 HydrophobicContact CG1-CE1 3.89Å
26R98.9Very high98.3Very high60 Ų6034.4 Ų34.423%0.22618%0.184CC..EExtended strand (participates in β ladder)trans-135.5147.6175.7-52.3-69.5-57.6172.16.5111.1G18 G23 L62 L63 Q64 D110G18-R26 VanDerWaalsContact O-CA 3.32Å; G18-R26 WeakPolarHBondContact O-CA 3.49Å; G18-R26 VanDerWaalsContact O-CZ 3.31Å; G18-R26 PolarHBondContact O-NE 3.17Å; G23-R26 WeakPolarHBondContact O-CD 3.05Å; G23-R26 WeakPolarHBondContact O-CG 3.38Å; R26-L62 WeakPolarHBondContact O-CD1 3.3Å; R26-L63 HydrophobicContact CB-CB 4.43Å; R26-L63 PolarHBondContact O-N 3.45Å; R26-Q64 HydrophobicContact CB-CG 3.73Å; R26-Q64 HydrophobicContact CG-CG 3.64Å; R26-Q64 PolarHBondContact N-O 2.89Å; R26-Q64 PolarHBondContact O-N 2.82Å; R26-Q64 VanDerWaalsContact O-N 3.14Å; R26-D110 IonicContact CZ-OD1 2.73Å; R26-D110 IonicContact CZ-OD2 3.56Å; R26-D110 IonicContact NH1-OD1 2.6Å; R26-D110 PolarHBondContact NH1-OD1 2.87Å; R26-D110 IonicContact NH2-OD1 3.42Å; R26-D110 PolarHBondContact NH2-OD1 2.73Å; R26-D110 IonicContact NH2-OD2 3.74Å; R26-D110 PolarHBondContact NH2-OD2 3.11Å
27F98.9Very high98.3Very high0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-144.7165.118063.2-93.5000111.1G18 G19 V29 F60 T61 F92 V104 L109G18-F27 VanDerWaalsContact C-CE1 3.41Å; G18-F27 PolarHBondContact N-O 3.02Å; G18-F27 PolarHBondContact O-N 2.76Å; G19-F27 VanDerWaalsContact N-CE1 3.31Å; F27-V29 HydrophobicContact CD2-CB 4.4Å; F27-V29 HydrophobicContact CD2-CG1 4.28Å; F27-V29 HydrophobicContact CE2-CB 4.49Å; F27-V29 HydrophobicContact CE2-CG1 3.94Å; F27-F60 HydrophobicContact CB-CE1 4.28Å; F27-F60 HydrophobicContact CB-CE2 3.7Å; F27-F60 HydrophobicContact CB-CZ 3.48Å; F27-F60 VanDerWaalsContact CB-CZ 3.48Å; F27-F60 HydrophobicContact CD1-CE2 4.3Å; F27-F60 HydrophobicContact CD1-CZ 4.36Å; F27-F60 HydrophobicContact CD2-CD2 4.28Å; F27-F60 AromaticContact CD2-CE2 3.58Å; F27-F60 HydrophobicContact CD2-CE2 3.58Å; F27-F60 HydrophobicContact CD2-CZ 4.26Å; F27-F60 HydrophobicContact CE2-CE2 4.29Å; F27-F60 AromaticContact CG-CE2 3.58Å; F27-F60 HydrophobicContact CG-CE2 3.58Å; F27-F60 AromaticContact CG-CZ 3.79Å; F27-F60 HydrophobicContact CG-CZ 3.79Å; F27-T61 CarbonylContact C-O 3.51Å; F27-T61 WeakPolarHBondContact CA-O 3.42Å; F27-T61 VanDerWaalsContact CB-O 3.3Å; F27-T61 WeakPolarHBondContact CB-O 3.17Å; F27-F92 AromaticContact CD1-CD1 3.88Å; F27-F92 HydrophobicContact CD1-CD1 3.88Å; F27-F92 HydrophobicContact CD1-CE1 4.29Å; F27-F92 HydrophobicContact CE1-CD1 4.23Å; F27-V104 HydrophobicContact CE2-CG1 3.79Å; F27-V104 HydrophobicContact CZ-CG1 3.76Å; F27-L109 HydrophobicContact CE2-CD2 3.83Å; F27-L109 HydrophobicContact CZ-CD2 4.01Å
28E98.8Very high98.2Very high45 Ų4532.8 Ų32.821%0.2117%0.172CC..EExtended strand (participates in β ladder)trans-118.5145.5163.3-77.6176159.100109.4K15 H16 T61 L63K15-E28 HydrophobicContact CD-CB 4.35Å; K15-E28 HydrophobicContact CD-CG 4.15Å; K15-E28 WeakPolarHBondContact CE-OE1 3.38Å; K15-E28 HydrophobicContact CG-CB 4.32Å; K15-E28 HydrophobicContact CG-CG 4.35Å; K15-E28 IonicContact NZ-OE1 3.93Å; K15-E28 PolarHBondContact NZ-OE1 2.95Å; K15-E28 IonicContact NZ-OE2 3.48Å; H16-E28 CarbonylContact O-C 3.57Å; H16-E28 WeakPolarHBondContact O-CA 3.46Å; E28-T61 PolarHBondContact N-O 3.2Å; E28-T61 PolarHBondContact O-N 2.69Å; E28-L63 HydrophobicContact CG-CD1 3.71Å; E28-L63 HydrophobicContact CG-CD2 4.48Å; E28-L63 HydrophobicContact CG-CG 4.27Å
29V98.6Very high98.2Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-141.1134.817661.60000111.1H16 F27 F53 V55 R59 F60 V104 L109H16-V29 HydrophobicContact CB-CG1 3.86Å; H16-V29 PolarHBondContact N-O 2.87Å; H16-V29 PolarHBondContact O-N 2.95Å; F27-V29 HydrophobicContact CD2-CB 4.4Å; F27-V29 HydrophobicContact CD2-CG1 4.28Å; F27-V29 HydrophobicContact CE2-CB 4.49Å; F27-V29 HydrophobicContact CE2-CG1 3.94Å; V29-F53 HydrophobicContact CG1-CE2 4.5Å; V29-F53 HydrophobicContact CG1-CZ 4.15Å; V29-F53 HydrophobicContact CG2-CE2 4.32Å; V29-V55 HydrophobicContact CG2-CB 4.17Å; V29-V55 HydrophobicContact CG2-CG1 3.75Å; V29-V55 HydrophobicContact CG2-CG2 3.68Å; V29-R59 CarbonylContact C-O 3.52Å; V29-R59 VanDerWaalsContact CA-O 3.29Å; V29-R59 WeakPolarHBondContact CA-O 3.29Å; V29-F60 HydrophobicContact CB-CD2 4.22Å; V29-F60 HydrophobicContact CG2-CD2 4.44Å; V29-V104 HydrophobicContact CG1-CG1 4.49Å; V29-V104 HydrophobicContact CG2-CG2 4.36Å; V29-L109 HydrophobicContact CG1-CD2 4.12Å
30W98.1Very high98.1Very high118 Ų11835.6 Ų35.645%0.44719%0.185SC..EExtended strand (participates in β ladder)trans-93.4122.2171.2-66.688.3000110.3L13 V14 K15 R59L13-W30 HydrophobicContact CB-CE3 4.43Å; V14-W30 WeakPolarHBondContact O-CA 3.37Å; K15-W30 HydrophobicContact CB-CD2 3.99Å; K15-W30 HydrophobicContact CB-CE3 3.98Å; K15-W30 HydrophobicContact CB-CH2 3.86Å; K15-W30 HydrophobicContact CB-CZ2 3.84Å; K15-W30 HydrophobicContact CB-CZ3 3.93Å; K15-W30 HydrophobicContact CD-CZ2 3.88Å; K15-W30 HydrophobicContact CG-CD2 4.38Å; K15-W30 HydrophobicContact CG-CZ2 4.16Å; W30-R59 HydrophobicContact CB-CB 4.08Å; W30-R59 HydrophobicContact CB-CG 4.32Å; W30-R59 PolarHBondContact N-O 2.89Å; W30-R59 WeakPolarHBondContact O-CB 3.44Å; W30-R59 VanDerWaalsContact O-CD 3.27Å; W30-R59 WeakPolarHBondContact O-CD 3.38Å
31S96.8Very high98.1Very high7 Ų737.9 Ų37.95%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-155.2173.1175.851.90000111.4L13 V14 H16 F53L13-S31 WeakPolarHBondContact CA-O 3.32Å; V14-S31 PolarHBondContact N-O 2.77Å; V14-S31 PolarHBondContact O-N 2.99Å; V14-S31 VanDerWaalsContact O-N 3.12Å; H16-S31 PolarHBondContact CD2-OG 3.33Å; H16-S31 PolarHBondContact NE2-OG 2.6Å; S31-F53 WeakPolarHBondContact OG-CE2 3.23Å
32S96.4Very high98Very high31 Ų3131.2 Ų31.222%0.21717%0.168CC..  trans-57.4139.7167.1175.90000110.3E12 H16 D34 L35E12-S32 WeakPolarHBondContact O-CA 3.26Å; H16-S32 PolarHBondContact NE2-O 3.36Å; S32-D34 WeakPolarHBondContact CB-O 3.45Å; S32-D34 PolarHBondContact O-N 2.91Å; S32-D34 PolarHBondContact OG-N 2.84Å; S32-D34 PolarHBondContact OG-O 3.31Å; S32-L35 VanDerWaalsContact O-CD2 3.23Å; S32-L35 WeakPolarHBondContact O-CD2 3.47Å
33P97.1Very high98Very high5 Ų532.5 Ų32.53%0.03218%0.178CC..SBendtrans-65.5-17.9168.529.9-36000112.2E12 V14 T113 R115 S116E12-P33 HydrophobicContact CG-CG 4.48Å; V14-P33 HydrophobicContact CG1-CB 4.4Å; V14-P33 HydrophobicContact CG1-CG 4.28Å; V14-P33 HydrophobicContact CG2-CB 3.87Å; V14-P33 HydrophobicContact CG2-CG 4.43Å; P33-T113 VanDerWaalsContact CB-O 3.3Å; P33-T113 WeakPolarHBondContact CB-O 3.23Å; P33-R115 HydrophobicContact CB-CB 3.97Å; P33-R115 PolarHBondContact O-N 3.01Å; P33-S116 PolarHBondContact O-N 2.95Å
34D97.5Very high98Very high56 Ų5632.2 Ų32.230%0.29917%0.171SC..EExtended strand (participates in β ladder)trans-95.399.2170.2-59.3-50.7000109.8S32 R115 S116S32-D34 WeakPolarHBondContact CB-O 3.45Å; S32-D34 PolarHBondContact O-N 2.91Å; S32-D34 PolarHBondContact OG-N 2.84Å; S32-D34 PolarHBondContact OG-O 3.31Å; D34-R115 VanDerWaalsContact CG-NE 3.34Å; D34-R115 WeakPolarHBondContact OD1-CB 3.3Å; D34-R115 WeakPolarHBondContact OD1-CG 3.19Å; D34-R115 IonicContact OD1-CZ 3.87Å; D34-R115 IonicContact OD1-NE 2.97Å; D34-R115 PolarHBondContact OD1-NE 3.5Å; D34-R115 IonicContact OD2-CZ 3.21Å; D34-R115 IonicContact OD2-NE 3.03Å; D34-R115 PolarHBondContact OD2-NE 3.31Å; D34-R115 IonicContact OD2-NH2 3.76Å; D34-R115 PolarHBondContact OD2-NH2 3Å; D34-S116 VanDerWaalsContact CB-OG 3.29Å; D34-S116 WeakPolarHBondContact CB-OG 3.23Å; D34-S116 VanDerWaalsContact CG-OG 3.23Å; D34-S116 WeakPolarHBondContact OD1-CB 3.32Å; D34-S116 PolarHBondContact OD1-N 3.06Å; D34-S116 PolarHBondContact OD1-OG 3.23Å
35L97.8Very high97.9Very high5 Ų530.8 Ų30.83%0.02616%0.159CC..EExtended strand (participates in β ladder)trans-82.6125.2-171.2-59.2178.9000111.6S32 V37 F53 P106 L109 V114 S116 V117 I118S32-L35 VanDerWaalsContact O-CD2 3.23Å; S32-L35 WeakPolarHBondContact O-CD2 3.47Å; L35-V37 HydrophobicContact CB-CG2 4.02Å; L35-F53 HydrophobicContact CD1-CD1 4.03Å; L35-F53 HydrophobicContact CD1-CE1 3.99Å; L35-F53 HydrophobicContact CD2-CD1 4.08Å; L35-F53 HydrophobicContact CD2-CD2 4.13Å; L35-F53 HydrophobicContact CD2-CE1 4.12Å; L35-F53 HydrophobicContact CD2-CE2 4.16Å; L35-F53 HydrophobicContact CD2-CG 4.07Å; L35-F53 HydrophobicContact CD2-CZ 4.14Å; L35-P106 HydrophobicContact CD1-CB 3.96Å; L35-L109 HydrophobicContact CD1-CD1 3.95Å; L35-V114 HydrophobicContact CD1-CB 4.5Å; L35-V114 HydrophobicContact CD1-CG1 3.86Å; L35-V114 HydrophobicContact CD1-CG2 3.79Å; L35-V114 HydrophobicContact CG-CG1 4.16Å; L35-S116 PolarHBondContact N-O 2.69Å; L35-V117 HydrophobicContact CB-CG2 4.43Å; L35-V117 HydrophobicContact CD1-CG2 4.48Å; L35-V117 WeakPolarHBondContact O-CA 3.37Å; L35-I118 PolarHBondContact O-N 3.15Å
36H97.5Very high97.9Very high65 Ų6534 Ų3430%0.30118%0.178SC..EExtended strand (participates in β ladder)trans-90.5108.6164.3-172.4-175.8000109.8F53 E120 M140H36-F53 WeakPolarHBondContact O-CA 3.4Å; H36-F53 WeakPolarHBondContact O-CB 3.4Å; H36-E120 IonicContact CE1-OE2 2.64Å; H36-E120 PolarHBondContact CE1-OE2 3.22Å; H36-E120 VanDerWaalsContact NE2-CB 3.26Å; H36-E120 WeakPolarHBondContact NE2-CB 3.25Å; H36-E120 IonicContact NE2-OE2 3.12Å; H36-E120 PolarHBondContact NE2-OE2 3.28Å; H36-E120 VanDerWaalsContact NE2-OE2 3.08Å; H36-M140 WeakPolarHBondContact ND1-CE 3.46Å
37V98.3Very high97.8Very high2 Ų239.7 Ų39.71%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-109.4128.8-172.2173.50000110.8L35 H51 H52 F53 P106 V117 I118 V119 E120L35-V37 HydrophobicContact CB-CG2 4.02Å; V37-H51 HydrophobicContact CG1-CB 3.73Å; V37-H52 CarbonylContact C-O 3.57Å; V37-H52 WeakPolarHBondContact CA-O 3.26Å; V37-F53 HydrophobicContact CG2-CB 4.29Å; V37-P106 HydrophobicContact CG1-CG 4.2Å; V37-P106 HydrophobicContact CG2-CB 4.25Å; V37-P106 HydrophobicContact CG2-CG 3.95Å; V37-V117 HydrophobicContact CB-CG1 4.15Å; V37-V117 HydrophobicContact CG2-CG1 3.66Å; V37-I118 PolarHBondContact N-O 3.29Å; V37-V119 HydrophobicContact CB-CG2 4.41Å; V37-V119 CarbonylContact O-C 3.53Å; V37-V119 VanDerWaalsContact O-CA 3.28Å; V37-V119 WeakPolarHBondContact O-CA 3.47Å; V37-E120 PolarHBondContact O-N 3.49Å
38F98.1Very high97.7Very high3 Ų343.2 Ų43.21%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-90.4131.4173.7-62.9-77.2000111.6H51 H52 I54 E120 H134 I137 M140F38-H51 WeakPolarHBondContact O-CA 3.3Å; F38-H52 PolarHBondContact N-O 2.96Å; F38-H52 PolarHBondContact O-N 2.9Å; F38-I54 HydrophobicContact CD2-CD1 4.05Å; F38-I54 HydrophobicContact CD2-CG1 4.28Å; F38-I54 HydrophobicContact CE2-CD1 4.07Å; F38-I54 HydrophobicContact CE2-CG1 4.4Å; F38-E120 CarbonylContact C-O 3.58Å; F38-E120 WeakPolarHBondContact CA-O 3.42Å; F38-E120 HydrophobicContact CD1-CB 4.21Å; F38-E120 HydrophobicContact CD1-CG 4.45Å; F38-E120 HydrophobicContact CE1-CB 4.39Å; F38-E120 HydrophobicContact CE1-CG 4.48Å; F38-H134 AromaticContact CE1-NE2 3.48Å; F38-H134 WeakPolarHBondContact CE1-NE2 3.36Å; F38-I137 HydrophobicContact CD1-CD1 4.27Å; F38-I137 HydrophobicContact CD2-CD1 4.48Å; F38-I137 HydrophobicContact CE1-CD1 4.21Å; F38-I137 HydrophobicContact CE1-CG1 4.39Å; F38-I137 HydrophobicContact CE2-CD1 4.41Å; F38-I137 HydrophobicContact CE2-CG1 4.17Å; F38-I137 HydrophobicContact CG-CD1 4.4Å; F38-I137 HydrophobicContact CZ-CB 4.39Å; F38-I137 HydrophobicContact CZ-CD1 4.27Å; F38-I137 HydrophobicContact CZ-CG1 4.02Å; F38-M140 HydrophobicContact CE2-CE 4.13Å; F38-M140 HydrophobicContact CE2-CG 4.34Å; F38-M140 HydrophobicContact CZ-CE 3.8Å; F38-M140 HydrophobicContact CZ-CG 4.48Å
39H97.7Very high97.5Very high56 Ų5646.3 Ų46.326%0.25923%0.234SC..EExtended strand (participates in β ladder)trans-111.296.1171.9-179.2-171.2000109.8H51 V119 E120 F122H39-H51 AromaticContact CD2-CD2 3.31Å; H39-H51 PolarHBondContact CD2-CD2 2.9Å; H39-H51 AromaticContact CD2-NE2 3.09Å; H39-H51 PolarHBondContact CD2-NE2 2.98Å; H39-H51 AromaticContact CE1-NE2 3.44Å; H39-H51 PolarHBondContact CE1-NE2 2.89Å; H39-H51 AromaticContact CG-CD2 3.53Å; H39-H51 AromaticContact CG-NE2 3.28Å; H39-H51 VanDerWaalsContact CG-NE2 3.28Å; H39-H51 AromaticContact ND1-NE2 3.49Å; H39-H51 PolarHBondContact ND1-NE2 3.03Å; H39-H51 AromaticContact NE2-CD2 3.88Å; H39-H51 AromaticContact NE2-NE2 3.19Å; H39-H51 PolarHBondContact NE2-NE2 2.82Å; H39-H51 VanDerWaalsContact NE2-NE2 3.19Å; H39-V119 HydrophobicContact CB-CG1 3.67Å; H39-E120 PolarHBondContact N-O 2.99Å; H39-F122 PolarHBondContact O-N 3.33Å
40C97.6Very high97.4Very high7 Ų746.6 Ų46.65%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-87.3135.1-179.5177.50000111.9C42 C45 F122 G124C40-C42 PolarHBondContact SG-N 3.47Å; C40-C42 VanDerWaalsContact SG-SG 3.66Å; C40-C45 HydrophobicContact CB-CB 3.92Å; C40-C45 WeakPolarHBondContact O-CB 3.32Å; C40-F122 WeakPolarHBondContact CA-O 3.1Å; C40-F122 HydrophobicContact CB-CB 4.5Å; C40-F122 HydrophobicContact CB-CD1 4.3Å; C40-G124 VanDerWaalsContact SG-CA 3.58Å
41N98Very high97.4Very high53 Ų5343.3 Ų43.328%0.28323%0.225SC..  trans-94.88.1179.177.8-22.8000115.5T46 F122 C123 G124 E125N41-T46 VanDerWaalsContact C-OG1 3.25Å; N41-T46 WeakPolarHBondContact CA-OG1 3.38Å; N41-T46 PolarHBondContact O-OG1 2.64Å; N41-F122 PolarHBondContact N-O 3.46Å; N41-F122 VanDerWaalsContact N-O 3.14Å; N41-F122 PolarHBondContact OD1-O 3.5Å; N41-C123 WeakPolarHBondContact OD1-CA 3.35Å; N41-G124 PolarHBondContact OD1-N 3.44Å; N41-E125 PolarHBondContact ND2-OE2 3.13Å; N41-E125 PolarHBondContact OD1-N 2.88Å
42C97.8Very high97.5Very high24 Ų2443.3 Ų43.316%0.16223%0.225CC..SBendtrans-63.1159.117777.50000111.3C40 V44 C45 T46C40-C42 PolarHBondContact SG-N 3.47Å; C40-C42 VanDerWaalsContact SG-SG 3.66Å; C42-V44 VanDerWaalsContact C-N 3.31Å; C42-V44 PolarHBondContact O-N 3.09Å; C42-V44 VanDerWaalsContact O-N 3.11Å; C42-C45 PolarHBondContact O-N 3.41Å; C42-C45 PolarHBondContact SG-SG 2.96Å; C42-T46 PolarHBondContact O-N 3Å; C42-T46 PolarHBondContact O-OG1 2.96Å
43S98.1Very high97.6Very high84 Ų8442.1 Ų42.159%0.58722%0.216SC*.Hα-helixtrans-51.8-42.5-170.261.20000114.7K47S43-K47 VanDerWaalsContact O-CG 3.31Å; S43-K47 WeakPolarHBondContact O-CG 3.46Å; S43-K47 PolarHBondContact O-N 3.4Å
44V97.9Very high97.6Very high19 Ų1942.7 Ų42.712%0.11522%0.218CC..Hα-helixtrans-73.1-40.4177.770.80000112.3C42 K47 K48 F74C42-V44 VanDerWaalsContact C-N 3.31Å; C42-V44 PolarHBondContact O-N 3.09Å; C42-V44 VanDerWaalsContact O-N 3.11Å; V44-K47 PolarHBondContact O-N 3.49Å; V44-K48 HydrophobicContact CG2-CD 4.11Å; V44-K48 HydrophobicContact CG2-CG 4.49Å; V44-K48 WeakPolarHBondContact O-CB 3.48Å; V44-K48 WeakPolarHBondContact O-CG 3.25Å; V44-K48 PolarHBondContact O-N 3.24Å; V44-F74 HydrophobicContact CB-CE1 3.94Å; V44-F74 HydrophobicContact CB-CZ 3.82Å; V44-F74 HydrophobicContact CG1-CE1 3.79Å; V44-F74 HydrophobicContact CG1-CZ 3.54Å; V44-F74 HydrophobicContact CG2-CE1 4.1Å; V44-F74 HydrophobicContact CG2-CZ 4.49Å
45C97.7Very high97.6Very high7 Ų740.1 Ų40.15%0.04721%0.205CC..Hα-helixtrans-68.7-40.3-178.6-71.50000111.1C40 C42 K48 Q49 N50C40-C45 HydrophobicContact CB-CB 3.92Å; C40-C45 WeakPolarHBondContact O-CB 3.32Å; C42-C45 PolarHBondContact O-N 3.41Å; C42-C45 PolarHBondContact SG-SG 2.96Å; C45-K48 PolarHBondContact O-N 2.98Å; C45-Q49 WeakPolarHBondContact O-CA 3.07Å; C45-Q49 PolarHBondContact O-N 2.87Å; C45-N50 HydrophobicContact CB-CB 4.05Å; C45-N50 PolarHBondContact O-N 2.8Å
46T98Very high97.6Very high66 Ų6640 Ų4041%0.40520%0.204SC..Hα-helixtrans-60.3-45.2173.2-63.30000111.4N41 C42 K48 Q49N41-T46 VanDerWaalsContact C-OG1 3.25Å; N41-T46 WeakPolarHBondContact CA-OG1 3.38Å; N41-T46 PolarHBondContact O-OG1 2.64Å; C42-T46 PolarHBondContact O-N 3Å; C42-T46 PolarHBondContact O-OG1 2.96Å; T46-K48 VanDerWaalsContact C-N 3.35Å; T46-K48 PolarHBondContact O-N 3.15Å; T46-Q49 PolarHBondContact O-N 2.87Å; T46-Q49 PolarHBondContact O-NE2 3.09Å
47K97.6Very high97.6Very high181 Ų18143.8 Ų43.879%0.78722%0.22SC*.Hα-helixtrans-66.8-34.3177.9-73.5177.6-175.7-64.10113.2S43 V44S43-K47 VanDerWaalsContact O-CG 3.31Å; S43-K47 WeakPolarHBondContact O-CG 3.46Å; S43-K47 PolarHBondContact O-N 3.4Å; V44-K47 PolarHBondContact O-N 3.49Å
48K96.2Very high97.5Very high74 Ų7448.3 Ų48.332%0.32225%0.251SS..Hα-helixtrans-87.1-11.8-180-73.2-173.3169-172.50114.3V44 C45 T46 N50V44-K48 HydrophobicContact CG2-CD 4.11Å; V44-K48 HydrophobicContact CG2-CG 4.49Å; V44-K48 WeakPolarHBondContact O-CB 3.48Å; V44-K48 WeakPolarHBondContact O-CG 3.25Å; V44-K48 PolarHBondContact O-N 3.24Å; C45-K48 PolarHBondContact O-N 2.98Å; T46-K48 VanDerWaalsContact C-N 3.35Å; T46-K48 PolarHBondContact O-N 3.15Å; K48-N50 HydrophobicContact CB-CB 4.12Å; K48-N50 PolarHBondContact O-N 3.5Å
49Q95.8Very high97.5Very high109 Ų10950.1 Ų50.151%0.50926%0.258SS..THydrogen-bonded Turntrans51.347.1-164.2-60.5-65.9-61.100111C45 T46 H51C45-Q49 WeakPolarHBondContact O-CA 3.07Å; C45-Q49 PolarHBondContact O-N 2.87Å; T46-Q49 PolarHBondContact O-N 2.87Å; T46-Q49 PolarHBondContact O-NE2 3.09Å; Q49-H51 PolarHBondContact O-N 3.32Å
50N95.8Very high97.5Very high7 Ų748.3 Ų48.34%0.03725%0.25CC..  trans-77.481.8-170.6-172.445.1000112.2C45 K48 Q90 Y93C45-N50 HydrophobicContact CB-CB 4.05Å; C45-N50 PolarHBondContact O-N 2.8Å; K48-N50 HydrophobicContact CB-CB 4.12Å; K48-N50 PolarHBondContact O-N 3.5Å; N50-Q90 PolarHBondContact OD1-NE2 3.35Å; N50-Y93 WeakPolarHBondContact ND2-CE1 3.34Å; N50-Y93 VanDerWaalsContact ND2-CZ 3.34Å; N50-Y93 PolarHBondContact ND2-OH 3.36Å
51H97.6Very high97.6Very high48 Ų4851.5 Ų51.522%0.22227%0.269CS..EExtended strand (participates in β ladder)trans-87.7130.4167.6-60.6169.2000109.2V37 F38 H39 Q49 A105 P106V37-H51 HydrophobicContact CG1-CB 3.73Å; F38-H51 WeakPolarHBondContact O-CA 3.3Å; H39-H51 AromaticContact CD2-CD2 3.31Å; H39-H51 PolarHBondContact CD2-CD2 2.9Å; H39-H51 AromaticContact CD2-NE2 3.09Å; H39-H51 PolarHBondContact CD2-NE2 2.98Å; H39-H51 AromaticContact CE1-NE2 3.44Å; H39-H51 PolarHBondContact CE1-NE2 2.89Å; H39-H51 AromaticContact CG-CD2 3.53Å; H39-H51 AromaticContact CG-NE2 3.28Å; H39-H51 VanDerWaalsContact CG-NE2 3.28Å; H39-H51 AromaticContact ND1-NE2 3.49Å; H39-H51 PolarHBondContact ND1-NE2 3.03Å; H39-H51 AromaticContact NE2-CD2 3.88Å; H39-H51 AromaticContact NE2-NE2 3.19Å; H39-H51 PolarHBondContact NE2-NE2 2.82Å; H39-H51 VanDerWaalsContact NE2-NE2 3.19Å; Q49-H51 PolarHBondContact O-N 3.32Å; H51-A105 WeakPolarHBondContact O-CA 3.43Å; H51-P106 WeakPolarHBondContact O-CD 3.23Å
52H98.6Very high97.6Very high7 Ų751.7 Ų51.73%0.03227%0.27CS..EExtended strand (participates in β ladder)trans-152146.3-178.261.8-70.9000113V37 F38 Y93 V104V37-H52 CarbonylContact C-O 3.57Å; V37-H52 WeakPolarHBondContact CA-O 3.26Å; F38-H52 PolarHBondContact N-O 2.96Å; F38-H52 PolarHBondContact O-N 2.9Å; H52-Y93 HydrophobicContact CB-CE1 4.2Å; H52-Y93 AromaticContact CD2-CE1 3.66Å; H52-Y93 PolarHBondContact CE1-OH 2.94Å; H52-Y93 AromaticContact CG-CE1 3.7Å; H52-Y93 AromaticContact ND1-CE1 3.99Å; H52-Y93 AromaticContact NE2-CE1 3.89Å; H52-Y93 AromaticContact NE2-CZ 3.85Å; H52-Y93 PolarHBondContact NE2-OH 3.18Å; H52-V104 WeakPolarHBondContact CA-O 3.32Å; H52-V104 WeakPolarHBondContact CB-O 3.37Å
53F98.5Very high97.7Very high7 Ų755.1 Ų55.13%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-97.8157161.365.1-83.3000109V29 S31 L35 H36 V37 V55 G103 V104 P106 L109V29-F53 HydrophobicContact CG1-CE2 4.5Å; V29-F53 HydrophobicContact CG1-CZ 4.15Å; V29-F53 HydrophobicContact CG2-CE2 4.32Å; S31-F53 WeakPolarHBondContact OG-CE2 3.23Å; L35-F53 HydrophobicContact CD1-CD1 4.03Å; L35-F53 HydrophobicContact CD1-CE1 3.99Å; L35-F53 HydrophobicContact CD2-CD1 4.08Å; L35-F53 HydrophobicContact CD2-CD2 4.13Å; L35-F53 HydrophobicContact CD2-CE1 4.12Å; L35-F53 HydrophobicContact CD2-CE2 4.16Å; L35-F53 HydrophobicContact CD2-CG 4.07Å; L35-F53 HydrophobicContact CD2-CZ 4.14Å; H36-F53 WeakPolarHBondContact O-CA 3.4Å; H36-F53 WeakPolarHBondContact O-CB 3.4Å; V37-F53 HydrophobicContact CG2-CB 4.29Å; F53-V55 HydrophobicContact CD2-CG1 3.86Å; F53-V55 HydrophobicContact CE2-CG1 3.75Å; F53-G103 CarbonylContact O-C 3.58Å; F53-G103 VanDerWaalsContact O-CA 3.28Å; F53-G103 WeakPolarHBondContact O-CA 3.47Å; F53-V104 HydrophobicContact CD1-CB 4.23Å; F53-V104 VanDerWaalsContact CD1-O 3.24Å; F53-V104 WeakPolarHBondContact CD1-O 3.17Å; F53-V104 HydrophobicContact CE1-CB 3.64Å; F53-V104 HydrophobicContact CE1-CG1 3.68Å; F53-V104 HydrophobicContact CE2-CB 4Å; F53-V104 HydrophobicContact CE2-CG2 4.43Å; F53-V104 HydrophobicContact CZ-CB 3.53Å; F53-V104 HydrophobicContact CZ-CG1 3.61Å; F53-V104 HydrophobicContact CZ-CG2 4.29Å; F53-V104 PolarHBondContact N-O 2.99Å; F53-V104 VanDerWaalsContact N-O 3.08Å; F53-V104 PolarHBondContact O-N 2.88Å; F53-P106 HydrophobicContact CD1-CB 4.43Å; F53-L109 HydrophobicContact CE1-CD1 3.92Å; F53-L109 HydrophobicContact CE1-CG 4.49Å; F53-L109 HydrophobicContact CZ-CD1 4.08Å; F53-L109 HydrophobicContact CZ-CD2 4.46Å
54I98.4Very high97.7Very high16 Ų1655.9 Ų55.98%0.08228%0.28CS..EExtended strand (participates in β ladder)trans-111.5138.1-173.9-59.9176.7000109.3F38 N98 F102 I137 M140F38-I54 HydrophobicContact CD2-CD1 4.05Å; F38-I54 HydrophobicContact CD2-CG1 4.28Å; F38-I54 HydrophobicContact CE2-CD1 4.07Å; F38-I54 HydrophobicContact CE2-CG1 4.4Å; I54-N98 VanDerWaalsContact CD1-OD1 3.29Å; I54-N98 WeakPolarHBondContact CD1-OD1 3.47Å; I54-N98 HydrophobicContact CG2-CB 3.95Å; I54-F102 WeakPolarHBondContact CA-O 3.46Å; I54-I137 HydrophobicContact CD1-CD1 4.38Å; I54-I137 HydrophobicContact CD1-CG1 3.95Å; I54-M140 HydrophobicContact CB-CB 3.78Å; I54-M140 HydrophobicContact CG2-CB 3.77Å
55V97.6Very high97.7Very high3 Ų355.9 Ų55.92%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-132.1151.7174.5-63.10000111.3V29 F53 R59 F60 G101 F102 V104V29-V55 HydrophobicContact CG2-CB 4.17Å; V29-V55 HydrophobicContact CG2-CG1 3.75Å; V29-V55 HydrophobicContact CG2-CG2 3.68Å; F53-V55 HydrophobicContact CD2-CG1 3.86Å; F53-V55 HydrophobicContact CE2-CG1 3.75Å; V55-R59 HydrophobicContact CB-CB 4.33Å; V55-F60 HydrophobicContact CG2-CB 4.4Å; V55-G101 VanDerWaalsContact O-CA 3.26Å; V55-G101 WeakPolarHBondContact O-CA 3.4Å; V55-F102 HydrophobicContact CG2-CB 4.29Å; V55-F102 PolarHBondContact N-O 3.47Å; V55-F102 PolarHBondContact O-N 3.43Å; V55-V104 HydrophobicContact CG2-CG2 4.38Å
56P97.3Very high97.7Very high3 Ų360.2 Ų60.22%0.01931%0.31CS..EExtended strand (participates in β ladder)trans-57.3147.1165.8-21.932.1000111.5S58 R59 S141P56-S58 PolarHBondContact O-N 2.93Å; P56-S58 VanDerWaalsContact O-N 3.15Å; P56-R59 HydrophobicContact CB-CG 4.48Å; P56-R59 HydrophobicContact CG-CG 4.43Å; P56-R59 PolarHBondContact O-N 2.96Å; P56-S141 WeakPolarHBondContact CA-O 3.33Å; P56-S141 VanDerWaalsContact CB-O 3.23Å; P56-S141 WeakPolarHBondContact CB-O 3.27Å; P56-S141 WeakPolarHBondContact CG-O 3.44Å
57K96.9Very high97.8Very high143 Ų14363.5 Ų63.562%0.62233%0.325SS*.G310 helixtrans-54.8-34.3175.3179.2177.5-176.6-176.40112.8R59 F60 D100 F102K57-R59 PolarHBondContact O-N 3.13Å; K57-F60 PolarHBondContact O-N 3.14Å; K57-D100 VanDerWaalsContact CB-O 3.23Å; K57-D100 WeakPolarHBondContact CB-O 3.44Å; K57-D100 PolarHBondContact N-O 3.35Å; K57-F102 HydrophobicContact CB-CE2 4.38Å; K57-F102 HydrophobicContact CG-CE2 3.98Å
58S96.7Very high97.8Very high97 Ų9756.1 Ų56.168%0.67830%0.295SS*.G310 helixtrans-63.5-18.8177.854.80000114P56P56-S58 PolarHBondContact O-N 2.93Å; P56-S58 VanDerWaalsContact O-N 3.15Å
59R97.6Very high97.9Very high41 Ų4154.4 Ų54.416%0.15529%0.289CS..G310 helixtrans-94.8-2.2178.6-65.6-167.4-175.9165.6-5.7113.6V29 W30 V55 P56 K57 E144V29-R59 CarbonylContact C-O 3.52Å; V29-R59 VanDerWaalsContact CA-O 3.29Å; V29-R59 WeakPolarHBondContact CA-O 3.29Å; W30-R59 HydrophobicContact CB-CB 4.08Å; W30-R59 HydrophobicContact CB-CG 4.32Å; W30-R59 PolarHBondContact N-O 2.89Å; W30-R59 WeakPolarHBondContact O-CB 3.44Å; W30-R59 VanDerWaalsContact O-CD 3.27Å; W30-R59 WeakPolarHBondContact O-CD 3.38Å; V55-R59 HydrophobicContact CB-CB 4.33Å; P56-R59 HydrophobicContact CB-CG 4.48Å; P56-R59 HydrophobicContact CG-CG 4.43Å; P56-R59 PolarHBondContact O-N 2.96Å; K57-R59 PolarHBondContact O-N 3.13Å; R59-E144 IonicContact CZ-OE1 2.97Å; R59-E144 IonicContact NH1-OE1 3.73Å; R59-E144 VanDerWaalsContact NH2-CD 3.28Å; R59-E144 IonicContact NH2-OE1 2.82Å; R59-E144 PolarHBondContact NH2-OE1 3.38Å; R59-E144 IonicContact NH2-OE2 3.4Å
60F98.6Very high98.1Very high18 Ų1852 Ų528%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-116.4134.1-176.4-178.4-85.7000111.2F27 V29 V55 K57 L62 F92 F102 V104F27-F60 HydrophobicContact CB-CE1 4.28Å; F27-F60 HydrophobicContact CB-CE2 3.7Å; F27-F60 HydrophobicContact CB-CZ 3.48Å; F27-F60 VanDerWaalsContact CB-CZ 3.48Å; F27-F60 HydrophobicContact CD1-CE2 4.3Å; F27-F60 HydrophobicContact CD1-CZ 4.36Å; F27-F60 HydrophobicContact CD2-CD2 4.28Å; F27-F60 AromaticContact CD2-CE2 3.58Å; F27-F60 HydrophobicContact CD2-CE2 3.58Å; F27-F60 HydrophobicContact CD2-CZ 4.26Å; F27-F60 HydrophobicContact CE2-CE2 4.29Å; F27-F60 AromaticContact CG-CE2 3.58Å; F27-F60 HydrophobicContact CG-CE2 3.58Å; F27-F60 AromaticContact CG-CZ 3.79Å; F27-F60 HydrophobicContact CG-CZ 3.79Å; V29-F60 HydrophobicContact CB-CD2 4.22Å; V29-F60 HydrophobicContact CG2-CD2 4.44Å; V55-F60 HydrophobicContact CG2-CB 4.4Å; K57-F60 PolarHBondContact O-N 3.14Å; F60-L62 HydrophobicContact CE1-CB 4.19Å; F60-F92 HydrophobicContact CE1-CD2 4.35Å; F60-F92 HydrophobicContact CE1-CE2 4.25Å; F60-F92 HydrophobicContact CE1-CZ 4.36Å; F60-F92 HydrophobicContact CE2-CB 4.09Å; F60-F92 HydrophobicContact CE2-CD1 4.06Å; F60-F92 HydrophobicContact CE2-CD2 4.38Å; F60-F92 AromaticContact CE2-CG 3.92Å; F60-F92 HydrophobicContact CE2-CG 3.92Å; F60-F92 HydrophobicContact CZ-CB 4.3Å; F60-F92 AromaticContact CZ-CD1 3.59Å; F60-F92 HydrophobicContact CZ-CD1 3.59Å; F60-F92 AromaticContact CZ-CD2 3.82Å; F60-F92 HydrophobicContact CZ-CD2 3.82Å; F60-F92 AromaticContact CZ-CE1 3.77Å; F60-F92 HydrophobicContact CZ-CE1 3.77Å; F60-F92 AromaticContact CZ-CE2 3.99Å; F60-F92 HydrophobicContact CZ-CE2 3.99Å; F60-F92 AromaticContact CZ-CG 3.62Å; F60-F92 HydrophobicContact CZ-CG 3.62Å; F60-F92 AromaticContact CZ-CZ 3.97Å; F60-F92 HydrophobicContact CZ-CZ 3.97Å; F60-F102 HydrophobicContact CB-CD2 3.54Å; F60-F102 HydrophobicContact CB-CE2 3.98Å; F60-F102 HydrophobicContact CB-CG 4.45Å; F60-F102 AromaticContact CD1-CD2 3.65Å; F60-F102 HydrophobicContact CD1-CD2 3.65Å; F60-F102 AromaticContact CD1-CE2 3.52Å; F60-F102 HydrophobicContact CD1-CE2 3.52Å; F60-F102 HydrophobicContact CD1-CG 4.3Å; F60-F102 HydrophobicContact CD1-CZ 4.11Å; F60-F102 HydrophobicContact CD2-CB 4.43Å; F60-F102 HydrophobicContact CD2-CD2 4.26Å; F60-F102 HydrophobicContact CD2-CG 4.45Å; F60-F102 HydrophobicContact CE1-CD2 4.44Å; F60-F102 HydrophobicContact CE1-CE2 4.26Å; F60-F102 HydrophobicContact CE1-CZ 4.43Å; F60-F102 AromaticContact CG-CD2 3.55Å; F60-F102 HydrophobicContact CG-CD2 3.55Å; F60-F102 AromaticContact CG-CE2 3.91Å; F60-F102 HydrophobicContact CG-CE2 3.91Å; F60-F102 HydrophobicContact CG-CG 4.15Å; F60-V104 HydrophobicContact CD2-CG2 4.14Å; F60-V104 HydrophobicContact CE2-CG2 4.25Å
61T98.8Very high98.2Very high74 Ų7455.1 Ų55.145%0.45430%0.301SS..EExtended strand (participates in β ladder)trans-130.7121.2174.2-58.70000110.1F27 E28 L63F27-T61 CarbonylContact C-O 3.51Å; F27-T61 WeakPolarHBondContact CA-O 3.42Å; F27-T61 VanDerWaalsContact CB-O 3.3Å; F27-T61 WeakPolarHBondContact CB-O 3.17Å; E28-T61 PolarHBondContact N-O 3.2Å; E28-T61 PolarHBondContact O-N 2.69Å; T61-L63 HydrophobicContact CG2-CD2 4Å; T61-L63 PolarHBondContact O-N 2.87Å
62L98.8Very high98.3Very high58 Ų5858.6 Ų58.630%0.30431%0.313SS..EExtended strand (participates in β ladder)trans-77119168.3-175.569.7000108.7V25 R26 F60 Q64 V66 L69 F92V25-L62 HydrophobicContact CG1-CD1 3.99Å; R26-L62 WeakPolarHBondContact O-CD1 3.3Å; F60-L62 HydrophobicContact CE1-CB 4.19Å; L62-Q64 WeakPolarHBondContact CD1-O 3.35Å; L62-V66 HydrophobicContact CD2-CB 4.03Å; L62-V66 HydrophobicContact CD2-CG2 4.47Å; L62-L69 HydrophobicContact CD1-CD1 4.3Å; L62-L69 HydrophobicContact CD2-CD1 3.78Å; L62-F92 HydrophobicContact CD1-CE1 3.94Å; L62-F92 HydrophobicContact CD1-CZ 3.9Å
63L98.8Very high98.3Very high96 Ų9660.4 Ų60.450%0.50332%0.324SS..EExtended strand (participates in β ladder)trans-88.9-37.6-179.2-62-176.8000112.3R26 E28 T61R26-L63 HydrophobicContact CB-CB 4.43Å; R26-L63 PolarHBondContact O-N 3.45Å; E28-L63 HydrophobicContact CG-CD1 3.71Å; E28-L63 HydrophobicContact CG-CD2 4.48Å; E28-L63 HydrophobicContact CG-CG 4.27Å; T61-L63 HydrophobicContact CG2-CD2 4Å; T61-L63 PolarHBondContact O-N 2.87Å
64Q98.4Very high98.2Very high100 Ų10063.2 Ų63.247%0.46734%0.337SS..EExtended strand (participates in β ladder)trans-154.3162.9178.977.3-174.91.900112.9G23 V25 R26 L62G23-Q64 PolarHBondContact O-NE2 2.69Å; V25-Q64 WeakPolarHBondContact CA-O 3.17Å; R26-Q64 HydrophobicContact CB-CG 3.73Å; R26-Q64 HydrophobicContact CG-CG 3.64Å; R26-Q64 PolarHBondContact N-O 2.89Å; R26-Q64 PolarHBondContact O-N 2.82Å; R26-Q64 VanDerWaalsContact O-N 3.14Å; L62-Q64 WeakPolarHBondContact CD1-O 3.35Å
65G98.3Very high98.1Very high19 Ų1968 Ų6820%0.19636%0.363CS..  trans90.720.4169.300000115.3A24 D67 N68 L69A24-G65 WeakPolarHBondContact O-CA 3.46Å; G65-D67 PolarHBondContact O-N 3.39Å; G65-N68 CarbonylContact O-C 3.54Å; G65-N68 WeakPolarHBondContact O-CA 3.29Å; G65-N68 WeakPolarHBondContact O-CB 3.31Å; G65-N68 PolarHBondContact O-N 2.84Å; G65-L69 WeakPolarHBondContact O-CG 3.39Å; G65-L69 PolarHBondContact O-N 3.5Å
66V98.4Very high98.1Very high97 Ų9770.7 Ų70.759%0.58838%0.379SS*.G310 helixtrans-51.8-44.7176.864.70000111.7L62 N68 L69L62-V66 HydrophobicContact CD2-CB 4.03Å; L62-V66 HydrophobicContact CD2-CG2 4.47Å; V66-N68 PolarHBondContact O-N 2.95Å; V66-L69 PolarHBondContact O-N 3.49Å
67D98.4Very high98.1Very high135 Ų13575.4 Ų75.472%0.72240%0.401SS*.G310 helixtrans-73.2-12.1178.5-57.8-40.5000113.2G65 K85G65-D67 PolarHBondContact O-N 3.39Å; D67-K85 VanDerWaalsContact O-CE 3.26Å; D67-K85 WeakPolarHBondContact O-CE 3.45Å; D67-K85 PolarHBondContact O-NZ 3.43Å
68N98.7Very high98.2Very high27 Ų2771.4 Ų71.414%0.14439%0.388CS..G310 helixtrans-100.32.7179.4-149.650.4000113.5A24 V25 G65 V66 C84 K85 T86A24-N68 HydrophobicContact CB-CB 4.48Å; A24-N68 WeakPolarHBondContact CB-ND2 3.43Å; V25-N68 HydrophobicContact CG2-CB 4.36Å; G65-N68 CarbonylContact O-C 3.54Å; G65-N68 WeakPolarHBondContact O-CA 3.29Å; G65-N68 WeakPolarHBondContact O-CB 3.31Å; G65-N68 PolarHBondContact O-N 2.84Å; V66-N68 PolarHBondContact O-N 2.95Å; N68-C84 PolarHBondContact ND2-SG 2.97Å; N68-C84 WeakPolarHBondContact O-CA 3.41Å; N68-K85 WeakPolarHBondContact O-CG 3.39Å; N68-K85 PolarHBondContact O-N 3.22Å; N68-K85 VanDerWaalsContact OD1-CE 3.32Å; N68-K85 WeakPolarHBondContact OD1-CE 3.45Å; N68-K85 WeakPolarHBondContact OD1-CG 3.28Å; N68-T86 PolarHBondContact ND2-OG1 2.95Å; N68-T86 PolarHBondContact OD1-OG1 3.12Å
69L98.8Very high98.3Very high38 Ų3867.5 Ų67.520%0.19936%0.361CS..EExtended strand (participates in β ladder)trans-88.8142.5172-65.6167.2000110.1V25 L62 G65 V66 T82 F83 F92V25-L69 HydrophobicContact CB-CD2 4.42Å; V25-L69 HydrophobicContact CG1-CD2 3.82Å; V25-L69 HydrophobicContact CG2-CD2 3.71Å; V25-L69 HydrophobicContact CG2-CG 4.15Å; L62-L69 HydrophobicContact CD1-CD1 4.3Å; L62-L69 HydrophobicContact CD2-CD1 3.78Å; G65-L69 WeakPolarHBondContact O-CG 3.39Å; G65-L69 PolarHBondContact O-N 3.5Å; V66-L69 PolarHBondContact O-N 3.49Å; L69-T82 HydrophobicContact CB-CG2 3.87Å; L69-T82 HydrophobicContact CD1-CG2 4.23Å; L69-T82 HydrophobicContact CD2-CG2 3.8Å; L69-T82 HydrophobicContact CG-CG2 4.17Å; L69-F83 WeakPolarHBondContact CA-O 3.19Å; L69-F92 HydrophobicContact CD1-CZ 3.81Å; L69-F92 HydrophobicContact CD2-CE1 4.35Å; L69-F92 HydrophobicContact CD2-CZ 4.06Å
70T98.8Very high98.3Very high59 Ų5969.5 Ų69.536%0.36237%0.371SS..EExtended strand (participates in β ladder)trans-129.8157.6164.3-172.60000109.1T82 F83 K85T70-T82 CarbonylContact O-C 3.53Å; T70-T82 VanDerWaalsContact O-CA 3.3Å; T70-T82 WeakPolarHBondContact O-CA 3.4Å; T70-F83 HydrophobicContact CG2-CD1 4.33Å; T70-F83 HydrophobicContact CG2-CD2 3.83Å; T70-F83 HydrophobicContact CG2-CE1 3.94Å; T70-F83 HydrophobicContact CG2-CE2 3.39Å; T70-F83 HydrophobicContact CG2-CG 4.28Å; T70-F83 HydrophobicContact CG2-CZ 3.45Å; T70-F83 VanDerWaalsContact CG2-CZ 3.45Å; T70-F83 PolarHBondContact N-O 3.4Å; T70-F83 PolarHBondContact O-N 2.97Å; T70-K85 HydrophobicContact CG2-CB 3.95Å
71T98.7Very high98.3Very high71 Ų7169 Ų6944%0.43637%0.369SS..EExtended strand (participates in β ladder)trans-127.6128.4-174.3-60.60000110.9K80T71-K80 HydrophobicContact CG2-CB 3.79Å; T71-K80 HydrophobicContact CG2-CD 4.33Å
72Y98.6Very high98.3Very high122 Ų12266.1 Ų66.148%0.47835%0.351SS..EExtended strand (participates in β ladder)trans-104139.7167.9178.2-108.6000110.5F74 H81Y72-F74 HydrophobicContact CD1-CD1 4.02Å; Y72-F74 HydrophobicContact CE1-CB 4.28Å; Y72-F74 AromaticContact CE1-CD1 3.39Å; Y72-F74 HydrophobicContact CE1-CD1 3.39Å; Y72-F74 HydrophobicContact CE1-CE1 4.06Å; Y72-F74 HydrophobicContact CE1-CG 4.1Å; Y72-H81 PolarHBondContact N-O 3.07Å; Y72-H81 VanDerWaalsContact O-CB 3.29Å; Y72-H81 WeakPolarHBondContact O-CB 3.37Å; Y72-H81 PolarHBondContact O-N 3Å
73T98.4Very high98.3Very high45 Ų4565.9 Ų65.928%0.27635%0.348SS..  trans-148.9141.3-177.3168.30000109.4H77 A79T73-H77 WeakPolarHBondContact OG1-CA 3.47Å; T73-H77 WeakPolarHBondContact OG1-CB 3.48Å; T73-H77 PolarHBondContact OG1-ND1 3.22Å; T73-H77 VanDerWaalsContact OG1-ND1 3.11Å; T73-H77 PolarHBondContact OG1-O 2.99Å; T73-A79 PolarHBondContact OG1-O 3.46Å
74F98.1Very high98.3Very high65 Ų6561.4 Ų61.429%0.28533%0.325SS..  trans-155175.8-175.970.1-81.3000110.4V44 Y72 T76 H77 H81V44-F74 HydrophobicContact CB-CE1 3.94Å; V44-F74 HydrophobicContact CB-CZ 3.82Å; V44-F74 HydrophobicContact CG1-CE1 3.79Å; V44-F74 HydrophobicContact CG1-CZ 3.54Å; V44-F74 HydrophobicContact CG2-CE1 4.1Å; V44-F74 HydrophobicContact CG2-CZ 4.49Å; Y72-F74 HydrophobicContact CD1-CD1 4.02Å; Y72-F74 HydrophobicContact CE1-CB 4.28Å; Y72-F74 AromaticContact CE1-CD1 3.39Å; Y72-F74 HydrophobicContact CE1-CD1 3.39Å; Y72-F74 HydrophobicContact CE1-CE1 4.06Å; Y72-F74 HydrophobicContact CE1-CG 4.1Å; F74-T76 PolarHBondContact O-N 3.08Å; F74-T76 VanDerWaalsContact O-N 3.15Å; F74-H77 PolarHBondContact O-N 2.78Å; F74-H81 AromaticContact CE1-CD2 3.77Å; F74-H81 AromaticContact CE1-NE2 3.48Å; F74-H81 WeakPolarHBondContact CE1-NE2 3.37Å
75N96.6Very high98.3Very high118 Ų11862.8 Ų62.863%0.63133%0.329SS*.THydrogen-bonded Turntrans56.1-111.4179.5-172.927.8000111.9H77N75-H77 PolarHBondContact O-CD2 3.25Å; N75-H77 PolarHBondContact O-N 2.88Å
76T96.9Very high98.3Very high58 Ų5866.3 Ų66.336%0.35635%0.347SS..THydrogen-bonded Turntrans-73.7-8.3178.764.40000113.4F74 V78F74-T76 PolarHBondContact O-N 3.08Å; F74-T76 VanDerWaalsContact O-N 3.15Å; T76-V78 PolarHBondContact O-N 2.84Å; T76-V78 PolarHBondContact OG1-N 3.23Å
77H97.8Very high98.3Very high103 Ų10363.6 Ų63.648%0.47733%0.332SS..SBendtrans595.6-174.3-63.3-84.7000116T73 F74 N75 K80T73-H77 WeakPolarHBondContact OG1-CA 3.47Å; T73-H77 WeakPolarHBondContact OG1-CB 3.48Å; T73-H77 PolarHBondContact OG1-ND1 3.22Å; T73-H77 VanDerWaalsContact OG1-ND1 3.11Å; T73-H77 PolarHBondContact OG1-O 2.99Å; F74-H77 PolarHBondContact O-N 2.78Å; N75-H77 PolarHBondContact O-CD2 3.25Å; N75-H77 PolarHBondContact O-N 2.88Å; H77-K80 WeakPolarHBondContact O-CE 3.4Å; H77-K80 PolarHBondContact O-NZ 3.37Å
78V98Very high98.3Very high58 Ų5859.4 Ų59.435%0.35232%0.321SS..  trans-71.3-49.9178.6178.40000110.7T76 K80 R96 P99T76-V78 PolarHBondContact O-N 2.84Å; T76-V78 PolarHBondContact OG1-N 3.23Å; V78-K80 PolarHBondContact O-N 2.98Å; V78-R96 HydrophobicContact CB-CG 4.23Å; V78-R96 HydrophobicContact CG1-CG 4.28Å; V78-P99 HydrophobicContact CG1-CB 3.93Å; V78-P99 HydrophobicContact CG1-CG 4.43Å
79A98.2Very high98.3Very high15 Ų1560 Ų6012%0.12433%0.325CS..SBendtrans-64.513217400000110.3T73 T94 R96T73-A79 PolarHBondContact OG1-O 3.46Å; A79-T94 CarbonylContact C-O 3.39Å; A79-T94 VanDerWaalsContact CA-O 3.3Å; A79-T94 WeakPolarHBondContact CA-O 3.49Å; A79-R96 HydrophobicContact CB-CB 4.11Å
80K98.6Very high98.3Very high84 Ų8459.1 Ų59.137%0.36532%0.32SS..BIsolated β-bridgetrans-112.298.8174.1-51.8-57.2-175.6-173.30107.7T71 H77 V78 T82 Y93 T94T71-K80 HydrophobicContact CG2-CB 3.79Å; T71-K80 HydrophobicContact CG2-CD 4.33Å; H77-K80 WeakPolarHBondContact O-CE 3.4Å; H77-K80 PolarHBondContact O-NZ 3.37Å; V78-K80 PolarHBondContact O-N 2.98Å; K80-T82 VanDerWaalsContact C-N 3.32Å; K80-T82 PolarHBondContact O-N 3.31Å; K80-Y93 WeakPolarHBondContact O-CB 3.29Å; K80-T94 PolarHBondContact N-O 2.97Å; K80-T94 PolarHBondContact O-N 2.82Å
81H98.4Very high98.3Very high6 Ų656.4 Ų56.43%0.02830%0.304CS..EExtended strand (participates in β ladder)trans-80.283.4177.3-65.6-78.8000110Y72 F74 F83 Y93Y72-H81 PolarHBondContact N-O 3.07Å; Y72-H81 VanDerWaalsContact O-CB 3.29Å; Y72-H81 WeakPolarHBondContact O-CB 3.37Å; Y72-H81 PolarHBondContact O-N 3Å; F74-H81 AromaticContact CE1-CD2 3.77Å; F74-H81 AromaticContact CE1-NE2 3.48Å; F74-H81 WeakPolarHBondContact CE1-NE2 3.37Å; H81-F83 WeakPolarHBondContact O-CD1 3.46Å; H81-Y93 AromaticContact CE1-CE2 3.98Å; H81-Y93 AromaticContact ND1-CD2 3.73Å
82T98.5Very high98.3Very high14 Ų1453.5 Ų53.59%0.08629%0.285CS..EExtended strand (participates in β ladder)trans-82.5134.3-179.3-46.70000110.9L69 T70 K80 Q90 F92L69-T82 HydrophobicContact CB-CG2 3.87Å; L69-T82 HydrophobicContact CD1-CG2 4.23Å; L69-T82 HydrophobicContact CD2-CG2 3.8Å; L69-T82 HydrophobicContact CG-CG2 4.17Å; T70-T82 CarbonylContact O-C 3.53Å; T70-T82 VanDerWaalsContact O-CA 3.3Å; T70-T82 WeakPolarHBondContact O-CA 3.4Å; K80-T82 VanDerWaalsContact C-N 3.32Å; K80-T82 PolarHBondContact O-N 3.31Å; T82-Q90 VanDerWaalsContact O-CG 3.31Å; T82-Q90 WeakPolarHBondContact O-CG 3.24Å; T82-F92 HydrophobicContact CG2-CE2 4.47Å
83F98.8Very high98.3Very high54 Ų5448.3 Ų48.324%0.23727%0.265CS..EExtended strand (participates in β ladder)trans-150.5162.1177.459.5-85.9000111.9L69 T70 H81 K85 V89 Q90L69-F83 WeakPolarHBondContact CA-O 3.19Å; T70-F83 HydrophobicContact CG2-CD1 4.33Å; T70-F83 HydrophobicContact CG2-CD2 3.83Å; T70-F83 HydrophobicContact CG2-CE1 3.94Å; T70-F83 HydrophobicContact CG2-CE2 3.39Å; T70-F83 HydrophobicContact CG2-CG 4.28Å; T70-F83 HydrophobicContact CG2-CZ 3.45Å; T70-F83 VanDerWaalsContact CG2-CZ 3.45Å; T70-F83 PolarHBondContact N-O 3.4Å; T70-F83 PolarHBondContact O-N 2.97Å; H81-F83 WeakPolarHBondContact O-CD1 3.46Å; F83-K85 PolarHBondContact O-N 3.16Å; F83-V89 WeakPolarHBondContact CB-O 3.45Å; F83-Q90 HydrophobicContact CB-CB 3.96Å
84C98.9Very high98.3Very high1 Ų147.3 Ų47.31%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-67.8120.9177176.50000110.6C20 V25 N68 T86 C87 G88 V89C20-C84 HydrophobicContact CB-CB 3.61Å; C20-C84 VanDerWaalsContact SG-SG 3.64Å; V25-C84 HydrophobicContact CG2-CB 4.08Å; N68-C84 PolarHBondContact ND2-SG 2.97Å; N68-C84 WeakPolarHBondContact O-CA 3.41Å; C84-T86 PolarHBondContact O-N 3.43Å; C84-T86 PolarHBondContact SG-N 3.06Å; C84-C87 VanDerWaalsContact SG-SG 3.62Å; C84-G88 VanDerWaalsContact O-CA 3.25Å; C84-G88 WeakPolarHBondContact O-CA 3.41Å; C84-G88 PolarHBondContact O-N 2.87Å; C84-V89 PolarHBondContact N-O 3.19Å
85K98.6Very high98.3Very high130 Ų13044.2 Ų44.257%0.56525%0.245SC*.THydrogen-bonded Turntrans-70.2-17.3179.376.2-169.4-171.3-173.70113.4D67 N68 T70 F83D67-K85 VanDerWaalsContact O-CE 3.26Å; D67-K85 WeakPolarHBondContact O-CE 3.45Å; D67-K85 PolarHBondContact O-NZ 3.43Å; N68-K85 WeakPolarHBondContact O-CG 3.39Å; N68-K85 PolarHBondContact O-N 3.22Å; N68-K85 VanDerWaalsContact OD1-CE 3.32Å; N68-K85 WeakPolarHBondContact OD1-CE 3.45Å; N68-K85 WeakPolarHBondContact OD1-CG 3.28Å; T70-K85 HydrophobicContact CG2-CB 3.95Å; F83-K85 PolarHBondContact O-N 3.16Å
86T98.8Very high98.4Very high92 Ų9241.8 Ų41.856%0.56423%0.227SC*.THydrogen-bonded Turntrans-81.6-48.6176.7-53.50000112.7N68 C84N68-T86 PolarHBondContact ND2-OG1 2.95Å; N68-T86 PolarHBondContact OD1-OG1 3.12Å; C84-T86 PolarHBondContact O-N 3.43Å; C84-T86 PolarHBondContact SG-N 3.06Å
87C98.8Very high98.4Very high40 Ų4039.8 Ų39.827%0.2722%0.215SC..THydrogen-bonded Turntrans-115.60.3-17372.50000114.7C22 C84 V89C22-C87 HydrophobicContact CB-CB 3.94Å; C84-C87 VanDerWaalsContact SG-SG 3.62Å; C87-V89 PolarHBondContact O-N 3.04Å; C87-V89 VanDerWaalsContact O-N 3.13Å
88G98.4Very high98.4Very high48 Ų4834.9 Ų34.950%0.49519%0.193SC..  trans75.4-7.8177.600000115.7C84 Q90C84-G88 VanDerWaalsContact O-CA 3.25Å; C84-G88 WeakPolarHBondContact O-CA 3.41Å; C84-G88 PolarHBondContact O-N 2.87Å; G88-Q90 PolarHBondContact O-N 3.39Å
89V98.6Very high98.3Very high39 Ų3936 Ų3624%0.23620%0.201CC..  trans-70.4127.2-176.61740000111.5C20 H21 F83 C84 C87 C108C20-V89 HydrophobicContact CB-CB 4.13Å; C20-V89 HydrophobicContact CB-CG1 4.32Å; H21-V89 HydrophobicContact CB-CG2 3.74Å; F83-V89 WeakPolarHBondContact CB-O 3.45Å; C84-V89 PolarHBondContact N-O 3.19Å; C87-V89 PolarHBondContact O-N 3.04Å; C87-V89 VanDerWaalsContact O-N 3.13Å; V89-C108 VanDerWaalsContact CG1-SG 3.56Å
90Q98.6Very high98.2Very high19 Ų1938.2 Ų38.29%0.08921%0.21CC..  trans-91.689.6169.3175.9173.2-62.100108.7N50 T82 F83 G88N50-Q90 PolarHBondContact OD1-NE2 3.35Å; T82-Q90 VanDerWaalsContact O-CG 3.31Å; T82-Q90 WeakPolarHBondContact O-CG 3.24Å; F83-Q90 HydrophobicContact CB-CB 3.96Å; G88-Q90 PolarHBondContact O-N 3.39Å
91S98.7Very high98.2Very high3 Ų334.2 Ų34.22%0.02119%0.194CC..SBendtrans-80.7-23.6179.759.30000113.3G19 A105G19-S91 WeakPolarHBondContact O-CB 3.19Å; S91-A105 PolarHBondContact O-N 3.31Å
92F98.8Very high98.2Very high10 Ų1035.7 Ų35.74%0.04420%0.2CC..EExtended strand (participates in β ladder)trans-153.7163.1169.563.6-87.3000109.7V25 F27 F60 L62 L69 T82 F102 G103 V104V25-F92 HydrophobicContact CG1-CE1 3.89Å; F27-F92 AromaticContact CD1-CD1 3.88Å; F27-F92 HydrophobicContact CD1-CD1 3.88Å; F27-F92 HydrophobicContact CD1-CE1 4.29Å; F27-F92 HydrophobicContact CE1-CD1 4.23Å; F60-F92 HydrophobicContact CE1-CD2 4.35Å; F60-F92 HydrophobicContact CE1-CE2 4.25Å; F60-F92 HydrophobicContact CE1-CZ 4.36Å; F60-F92 HydrophobicContact CE2-CB 4.09Å; F60-F92 HydrophobicContact CE2-CD1 4.06Å; F60-F92 HydrophobicContact CE2-CD2 4.38Å; F60-F92 AromaticContact CE2-CG 3.92Å; F60-F92 HydrophobicContact CE2-CG 3.92Å; F60-F92 HydrophobicContact CZ-CB 4.3Å; F60-F92 AromaticContact CZ-CD1 3.59Å; F60-F92 HydrophobicContact CZ-CD1 3.59Å; F60-F92 AromaticContact CZ-CD2 3.82Å; F60-F92 HydrophobicContact CZ-CD2 3.82Å; F60-F92 AromaticContact CZ-CE1 3.77Å; F60-F92 HydrophobicContact CZ-CE1 3.77Å; F60-F92 AromaticContact CZ-CE2 3.99Å; F60-F92 HydrophobicContact CZ-CE2 3.99Å; F60-F92 AromaticContact CZ-CG 3.62Å; F60-F92 HydrophobicContact CZ-CG 3.62Å; F60-F92 AromaticContact CZ-CZ 3.97Å; F60-F92 HydrophobicContact CZ-CZ 3.97Å; L62-F92 HydrophobicContact CD1-CE1 3.94Å; L62-F92 HydrophobicContact CD1-CZ 3.9Å; L69-F92 HydrophobicContact CD1-CZ 3.81Å; L69-F92 HydrophobicContact CD2-CE1 4.35Å; L69-F92 HydrophobicContact CD2-CZ 4.06Å; T82-F92 HydrophobicContact CG2-CE2 4.47Å; F92-F102 AromaticContact CD2-CD1 3.93Å; F92-F102 HydrophobicContact CD2-CD1 3.93Å; F92-F102 HydrophobicContact CD2-CE1 4.2Å; F92-F102 HydrophobicContact CE2-CE1 4.33Å; F92-G103 CarbonylContact C-O 3.54Å; F92-G103 WeakPolarHBondContact CA-O 3.48Å; F92-V104 HydrophobicContact CB-CG2 4.28Å
93Y98.7Very high98.2Very high13 Ų1335 Ų355%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-156169.5175.584.9-64.4000110.8N50 H52 K80 H81 P95 F102 G103N50-Y93 WeakPolarHBondContact ND2-CE1 3.34Å; N50-Y93 VanDerWaalsContact ND2-CZ 3.34Å; N50-Y93 PolarHBondContact ND2-OH 3.36Å; H52-Y93 HydrophobicContact CB-CE1 4.2Å; H52-Y93 AromaticContact CD2-CE1 3.66Å; H52-Y93 PolarHBondContact CE1-OH 2.94Å; H52-Y93 AromaticContact CG-CE1 3.7Å; H52-Y93 AromaticContact ND1-CE1 3.99Å; H52-Y93 AromaticContact NE2-CE1 3.89Å; H52-Y93 AromaticContact NE2-CZ 3.85Å; H52-Y93 PolarHBondContact NE2-OH 3.18Å; K80-Y93 WeakPolarHBondContact O-CB 3.29Å; H81-Y93 AromaticContact CE1-CE2 3.98Å; H81-Y93 AromaticContact ND1-CD2 3.73Å; Y93-P95 HydrophobicContact CE1-CB 4.35Å; Y93-P95 VanDerWaalsContact CE2-CA 3.49Å; Y93-P95 HydrophobicContact CE2-CB 3.95Å; Y93-P95 WeakPolarHBondContact O-CD 3.2Å; Y93-P95 WeakPolarHBondContact OH-CB 3.48Å; Y93-F102 WeakPolarHBondContact O-CA 3.49Å; Y93-G103 WeakPolarHBondContact CD1-O 3.34Å; Y93-G103 PolarHBondContact N-O 3.24Å; Y93-G103 PolarHBondContact O-N 3.11Å
94T98.7Very high98.2Very high23 Ų2332.4 Ų32.414%0.14118%0.184CC..BIsolated β-bridgetrans-95.6110.7170.8-55.50000109.1A79 K80A79-T94 CarbonylContact C-O 3.39Å; A79-T94 VanDerWaalsContact CA-O 3.3Å; A79-T94 WeakPolarHBondContact CA-O 3.49Å; K80-T94 PolarHBondContact N-O 2.97Å; K80-T94 PolarHBondContact O-N 2.82Å
95P98.1Very high98.2Very high0 Ų032.5 Ų32.50%019%0.185CC..  trans-72.1154.5179.931.7-37.3000112.1Y93 S97 N98Y93-P95 HydrophobicContact CE1-CB 4.35Å; Y93-P95 VanDerWaalsContact CE2-CA 3.49Å; Y93-P95 HydrophobicContact CE2-CB 3.95Å; Y93-P95 WeakPolarHBondContact O-CD 3.2Å; Y93-P95 WeakPolarHBondContact OH-CB 3.48Å; P95-S97 VanDerWaalsContact C-N 3.29Å; P95-S97 PolarHBondContact O-N 2.85Å; P95-N98 HydrophobicContact CG-CB 3.79Å; P95-N98 CarbonylContact O-C 3.51Å; P95-N98 PolarHBondContact O-N 3.14Å
96R97.4Very high98.2Very high68 Ų6827.6 Ų27.626%0.25717%0.167SC..SBendtrans-63.5-35.3174.7177.1177.6175.9-160.3-4.3112.2V78 A79 N98 W127 E128V78-R96 HydrophobicContact CB-CG 4.23Å; V78-R96 HydrophobicContact CG1-CG 4.28Å; A79-R96 HydrophobicContact CB-CB 4.11Å; R96-N98 VanDerWaalsContact C-N 3.31Å; R96-W127 HydrophobicContact CB-CH2 4.02Å; R96-W127 HydrophobicContact CB-CZ2 3.8Å; R96-W127 HydrophobicContact CG-CH2 4.42Å; R96-W127 HydrophobicContact CG-CZ2 3.71Å; R96-W127 VanDerWaalsContact CZ-NE1 3.27Å; R96-E128 IonicContact CZ-OE1 2.91Å; R96-E128 IonicContact NH1-OE1 3.08Å; R96-E128 PolarHBondContact NH1-OE1 3.08Å; R96-E128 IonicContact NH2-OE1 2.69Å; R96-E128 PolarHBondContact NH2-OE1 3.43Å; R96-E128 IonicContact NH2-OE2 3.01Å
97S96.6Very high98.1Very high16 Ų1629.3 Ų29.311%0.11217%0.168CC..SBendtrans-69.1-29.9-178.949.90000112.9P95P95-S97 VanDerWaalsContact C-N 3.29Å; P95-S97 PolarHBondContact O-N 2.85Å
98N97.8Very high98.1Very high0 Ų028 Ų280%016%0.159CC..  trans-136.570.4-172.8-55.378.8000109.8I54 P95 R96 D100 G101 I137 K138 S141I54-N98 VanDerWaalsContact CD1-OD1 3.29Å; I54-N98 WeakPolarHBondContact CD1-OD1 3.47Å; I54-N98 HydrophobicContact CG2-CB 3.95Å; P95-N98 HydrophobicContact CG-CB 3.79Å; P95-N98 CarbonylContact O-C 3.51Å; P95-N98 PolarHBondContact O-N 3.14Å; R96-N98 VanDerWaalsContact C-N 3.31Å; N98-D100 PolarHBondContact O-N 3Å; N98-D100 VanDerWaalsContact O-N 3.13Å; N98-G101 PolarHBondContact O-N 3.2Å; N98-G101 VanDerWaalsContact O-N 3.09Å; N98-I137 PolarHBondContact ND2-O 3.3Å; N98-I137 PolarHBondContact OD1-O 2.91Å; N98-K138 PolarHBondContact ND2-O 3.3Å; N98-S141 WeakPolarHBondContact CB-OG 3.49Å; N98-S141 WeakPolarHBondContact ND2-CB 3.48Å; N98-S141 PolarHBondContact ND2-N 3.22Å; N98-S141 PolarHBondContact ND2-OG 3.17Å
99P97Very high98.1Very high81 Ų8126.7 Ų26.753%0.52614%0.14SC..THydrogen-bonded Turntrans-66.3-11.5-178.728.6-35.4000113.6V78V78-P99 HydrophobicContact CG1-CB 3.93Å; V78-P99 HydrophobicContact CG1-CG 4.43Å
100D96.1Very high98.1Very high61 Ų6127.5 Ų27.533%0.32614%0.144SC..THydrogen-bonded Turntrans-97.73.7177.161.1-22.2000113.6K57 N98 S141 K142K57-D100 VanDerWaalsContact CB-O 3.23Å; K57-D100 WeakPolarHBondContact CB-O 3.44Å; K57-D100 PolarHBondContact N-O 3.35Å; N98-D100 PolarHBondContact O-N 3Å; N98-D100 VanDerWaalsContact O-N 3.13Å; D100-S141 WeakPolarHBondContact OD1-CB 3.43Å; D100-S141 PolarHBondContact OD1-OG 2.78Å; D100-S141 PolarHBondContact OD2-OG 3.49Å; D100-K142 IonicContact OD2-NZ 2.69Å; D100-K142 PolarHBondContact OD2-NZ 2.78Å
101G97.6Very high98Very high1 Ų133 Ų331%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-135.6-168.5179.400000113.1V55 N98V55-G101 VanDerWaalsContact O-CA 3.26Å; V55-G101 WeakPolarHBondContact O-CA 3.4Å; N98-G101 PolarHBondContact O-N 3.2Å; N98-G101 VanDerWaalsContact O-N 3.09Å
102F98.7Very high97.9Very high36 Ų3636.7 Ų36.716%0.15822%0.22CC..EExtended strand (participates in β ladder)trans-126138.8175.5-66.6-74.6000110.8I54 V55 K57 F60 F92 Y93I54-F102 WeakPolarHBondContact CA-O 3.46Å; V55-F102 HydrophobicContact CG2-CB 4.29Å; V55-F102 PolarHBondContact N-O 3.47Å; V55-F102 PolarHBondContact O-N 3.43Å; K57-F102 HydrophobicContact CB-CE2 4.38Å; K57-F102 HydrophobicContact CG-CE2 3.98Å; F60-F102 HydrophobicContact CB-CD2 3.54Å; F60-F102 HydrophobicContact CB-CE2 3.98Å; F60-F102 HydrophobicContact CB-CG 4.45Å; F60-F102 AromaticContact CD1-CD2 3.65Å; F60-F102 HydrophobicContact CD1-CD2 3.65Å; F60-F102 AromaticContact CD1-CE2 3.52Å; F60-F102 HydrophobicContact CD1-CE2 3.52Å; F60-F102 HydrophobicContact CD1-CG 4.3Å; F60-F102 HydrophobicContact CD1-CZ 4.11Å; F60-F102 HydrophobicContact CD2-CB 4.43Å; F60-F102 HydrophobicContact CD2-CD2 4.26Å; F60-F102 HydrophobicContact CD2-CG 4.45Å; F60-F102 HydrophobicContact CE1-CD2 4.44Å; F60-F102 HydrophobicContact CE1-CE2 4.26Å; F60-F102 HydrophobicContact CE1-CZ 4.43Å; F60-F102 AromaticContact CG-CD2 3.55Å; F60-F102 HydrophobicContact CG-CD2 3.55Å; F60-F102 AromaticContact CG-CE2 3.91Å; F60-F102 HydrophobicContact CG-CE2 3.91Å; F60-F102 HydrophobicContact CG-CG 4.15Å; F92-F102 AromaticContact CD2-CD1 3.93Å; F92-F102 HydrophobicContact CD2-CD1 3.93Å; F92-F102 HydrophobicContact CD2-CE1 4.2Å; F92-F102 HydrophobicContact CE2-CE1 4.33Å; Y93-F102 WeakPolarHBondContact O-CA 3.49Å
103G98.6Very high97.8Very high0 Ų038.5 Ų38.50%023%0.232CC..EExtended strand (participates in β ladder)trans-89.8120.5161.100000108.9F53 F92 Y93F53-G103 CarbonylContact O-C 3.58Å; F53-G103 VanDerWaalsContact O-CA 3.28Å; F53-G103 WeakPolarHBondContact O-CA 3.47Å; F92-G103 CarbonylContact C-O 3.54Å; F92-G103 WeakPolarHBondContact CA-O 3.48Å; Y93-G103 WeakPolarHBondContact CD1-O 3.34Å; Y93-G103 PolarHBondContact N-O 3.24Å; Y93-G103 PolarHBondContact O-N 3.11Å
104V98.8Very high97.8Very high0 Ų040.7 Ų40.70%025%0.246CC..EExtended strand (participates in β ladder)trans-107.3131.3-179.4-179.70000109.6F27 V29 H52 F53 V55 F60 F92 L109F27-V104 HydrophobicContact CE2-CG1 3.79Å; F27-V104 HydrophobicContact CZ-CG1 3.76Å; V29-V104 HydrophobicContact CG1-CG1 4.49Å; V29-V104 HydrophobicContact CG2-CG2 4.36Å; H52-V104 WeakPolarHBondContact CA-O 3.32Å; H52-V104 WeakPolarHBondContact CB-O 3.37Å; F53-V104 HydrophobicContact CD1-CB 4.23Å; F53-V104 VanDerWaalsContact CD1-O 3.24Å; F53-V104 WeakPolarHBondContact CD1-O 3.17Å; F53-V104 HydrophobicContact CE1-CB 3.64Å; F53-V104 HydrophobicContact CE1-CG1 3.68Å; F53-V104 HydrophobicContact CE2-CB 4Å; F53-V104 HydrophobicContact CE2-CG2 4.43Å; F53-V104 HydrophobicContact CZ-CB 3.53Å; F53-V104 HydrophobicContact CZ-CG1 3.61Å; F53-V104 HydrophobicContact CZ-CG2 4.29Å; F53-V104 PolarHBondContact N-O 2.99Å; F53-V104 VanDerWaalsContact N-O 3.08Å; F53-V104 PolarHBondContact O-N 2.88Å; V55-V104 HydrophobicContact CG2-CG2 4.38Å; F60-V104 HydrophobicContact CD2-CG2 4.14Å; F60-V104 HydrophobicContact CE2-CG2 4.25Å; F92-V104 HydrophobicContact CB-CG2 4.28Å; V104-L109 HydrophobicContact CG1-CD2 4Å
105A98.7Very high97.7Very high2 Ų246.2 Ų46.22%0.01726%0.264CS..  trans-76.2118.3178.200000109.9H51 S91 H107 C108H51-A105 WeakPolarHBondContact O-CA 3.43Å; S91-A105 PolarHBondContact O-N 3.31Å; A105-H107 VanDerWaalsContact C-N 3.25Å; A105-H107 PolarHBondContact O-N 2.91Å; A105-C108 HydrophobicContact CB-CB 4.19Å; A105-C108 WeakPolarHBondContact O-CB 3.46Å; A105-C108 PolarHBondContact O-N 3.27Å
106P98.2Very high97.7Very high28 Ų2848.4 Ų48.418%0.18228%0.28CS..G310 helixtrans-64.1-31.7-173.726.9-35.5000112.4L35 V37 H51 F53 C108 L109L35-P106 HydrophobicContact CD1-CB 3.96Å; V37-P106 HydrophobicContact CG1-CG 4.2Å; V37-P106 HydrophobicContact CG2-CB 4.25Å; V37-P106 HydrophobicContact CG2-CG 3.95Å; H51-P106 WeakPolarHBondContact O-CD 3.23Å; F53-P106 HydrophobicContact CD1-CB 4.43Å; P106-C108 PolarHBondContact O-N 2.81Å; P106-L109 WeakPolarHBondContact O-CB 3.18Å; P106-L109 PolarHBondContact O-N 2.97Å
107H97.4Very high97.8Very high127 Ų12748.7 Ų48.759%0.58829%0.289SS*.G310 helixtrans-73.2-4.217762.6-95.4000113.9A105A105-H107 VanDerWaalsContact C-N 3.25Å; A105-H107 PolarHBondContact O-N 2.91Å
108C98.6Very high97.8Very high13 Ų1353.5 Ų53.59%0.08831%0.312CS..G310 helixtrans-102.43.8173.9-69.20000112.9G18 G19 V89 A105 P106G18-C108 CarbonylContact C-O 3.47Å; G18-C108 WeakPolarHBondContact CA-O 3.44Å; G19-C108 PolarHBondContact N-O 3.44Å; G19-C108 WeakPolarHBondContact O-CB 3.3Å; V89-C108 VanDerWaalsContact CG1-SG 3.56Å; A105-C108 HydrophobicContact CB-CB 4.19Å; A105-C108 WeakPolarHBondContact O-CB 3.46Å; A105-C108 PolarHBondContact O-N 3.27Å; P106-C108 PolarHBondContact O-N 2.81Å
109L98.8Very high97.8Very high20 Ų2057.1 Ų57.111%0.10533%0.334CS..BIsolated β-bridgetrans-78.7145.8170.3-60.4-178.2000110.1H16 F27 V29 L35 F53 V104 P106 V114H16-L109 HydrophobicContact CB-CD1 4.13Å; H16-L109 HydrophobicContact CB-CD2 3.88Å; F27-L109 HydrophobicContact CE2-CD2 3.83Å; F27-L109 HydrophobicContact CZ-CD2 4.01Å; V29-L109 HydrophobicContact CG1-CD2 4.12Å; L35-L109 HydrophobicContact CD1-CD1 3.95Å; F53-L109 HydrophobicContact CE1-CD1 3.92Å; F53-L109 HydrophobicContact CE1-CG 4.49Å; F53-L109 HydrophobicContact CZ-CD1 4.08Å; F53-L109 HydrophobicContact CZ-CD2 4.46Å; V104-L109 HydrophobicContact CG1-CD2 4Å; P106-L109 WeakPolarHBondContact O-CB 3.18Å; P106-L109 PolarHBondContact O-N 2.97Å; L109-V114 HydrophobicContact CD1-CG2 3.68Å
110D98.6Very high97.8Very high57 Ų5756.4 Ų56.431%0.30532%0.323SS..PPolyproline II helixtrans-68.4149.8167.9-60.7-21.4000109.7S17 R26S17-D110 VanDerWaalsContact CB-OD2 3.25Å; S17-D110 WeakPolarHBondContact CB-OD2 3.49Å; S17-D110 PolarHBondContact O-N 3Å; R26-D110 IonicContact CZ-OD1 2.73Å; R26-D110 IonicContact CZ-OD2 3.56Å; R26-D110 IonicContact NH1-OD1 2.6Å; R26-D110 PolarHBondContact NH1-OD1 2.87Å; R26-D110 IonicContact NH2-OD1 3.42Å; R26-D110 PolarHBondContact NH2-OD1 2.73Å; R26-D110 IonicContact NH2-OD2 3.74Å; R26-D110 PolarHBondContact NH2-OD2 3.11Å
111P97.1Very high97.9Very high134 Ų13461.9 Ų61.987%0.8734%0.344SS*.THydrogen-bonded Turntrans-65.8152.1-179.927.6-35.3000112.6
112G95.8Very high97.9Very high81 Ų8162.5 Ų62.584%0.83535%0.347SS*.THydrogen-bonded Turntrans118.8-13.416400000116.4
113T97.2Very high97.8Very high48 Ų4863 Ų6329%0.29435%0.354SS..SBendtrans-117.7-16.3-175.1500000114.2H16 P33H16-T113 PolarHBondContact CE1-O 2.85Å; H16-T113 VanDerWaalsContact ND1-CB 3.34Å; H16-T113 WeakPolarHBondContact ND1-CB 3.31Å; H16-T113 PolarHBondContact ND1-OG1 2.86Å; P33-T113 VanDerWaalsContact CB-O 3.3Å; P33-T113 WeakPolarHBondContact CB-O 3.23Å
114V98.1Very high97.7Very high58 Ų5863.4 Ų63.435%0.35236%0.358SS..  trans-84.6123.8175.6-178.70000109.4L35 L109 V117L35-V114 HydrophobicContact CD1-CB 4.5Å; L35-V114 HydrophobicContact CD1-CG1 3.86Å; L35-V114 HydrophobicContact CD1-CG2 3.79Å; L35-V114 HydrophobicContact CG-CG1 4.16Å; L109-V114 HydrophobicContact CD1-CG2 3.68Å; V114-V117 HydrophobicContact CG1-CG2 3.82Å
115R97.6Very high97.6Very high140 Ų14070.3 Ų70.353%0.52839%0.391SS..  trans-93.9-46.6178.3176168.262.1-142.89.4111.8E12 P33 D34E12-R115 IonicContact OE1-NH1 3.11Å; E12-R115 IonicContact OE2-CZ 3.43Å; E12-R115 IonicContact OE2-NH1 3.48Å; E12-R115 PolarHBondContact OE2-NH1 3.3Å; E12-R115 IonicContact OE2-NH2 3.89Å; E12-R115 PolarHBondContact OE2-NH2 3.12Å; P33-R115 HydrophobicContact CB-CB 3.97Å; P33-R115 PolarHBondContact O-N 3.01Å; D34-R115 VanDerWaalsContact CG-NE 3.34Å; D34-R115 WeakPolarHBondContact OD1-CB 3.3Å; D34-R115 WeakPolarHBondContact OD1-CG 3.19Å; D34-R115 IonicContact OD1-CZ 3.87Å; D34-R115 IonicContact OD1-NE 2.97Å; D34-R115 PolarHBondContact OD1-NE 3.5Å; D34-R115 IonicContact OD2-CZ 3.21Å; D34-R115 IonicContact OD2-NE 3.03Å; D34-R115 PolarHBondContact OD2-NE 3.31Å; D34-R115 IonicContact OD2-NH2 3.76Å; D34-R115 PolarHBondContact OD2-NH2 3Å
116S97.8Very high97.5Very high46 Ų4675.8 Ų75.832%0.32241%0.414SS..EExtended strand (participates in β ladder)trans-148.2162.5177.972.80000112P33 D34 L35P33-S116 PolarHBondContact O-N 2.95Å; D34-S116 VanDerWaalsContact CB-OG 3.29Å; D34-S116 WeakPolarHBondContact CB-OG 3.23Å; D34-S116 VanDerWaalsContact CG-OG 3.23Å; D34-S116 WeakPolarHBondContact OD1-CB 3.32Å; D34-S116 PolarHBondContact OD1-N 3.06Å; D34-S116 PolarHBondContact OD1-OG 3.23Å; L35-S116 PolarHBondContact N-O 2.69Å
117V98.1Very high97.4Very high74 Ų7476.7 Ų76.745%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-135.4120.3176.6-177.20000108.7L35 V37 V114 V119L35-V117 HydrophobicContact CB-CG2 4.43Å; L35-V117 HydrophobicContact CD1-CG2 4.48Å; L35-V117 WeakPolarHBondContact O-CA 3.37Å; V37-V117 HydrophobicContact CB-CG1 4.15Å; V37-V117 HydrophobicContact CG2-CG1 3.66Å; V114-V117 HydrophobicContact CG1-CG2 3.82Å; V117-V119 HydrophobicContact CG1-CG2 4.11Å
118I98.1Very high97.3Very high117 Ų11776.1 Ų76.160%0.641%0.412SS*.EExtended strand (participates in β ladder)trans-107.5129.5170-62.5173.6000107.7L35 V37L35-I118 PolarHBondContact O-N 3.15Å; V37-I118 PolarHBondContact N-O 3.29Å
119V98Very high97.2Very high75 Ų7581.2 Ų81.246%0.45543%0.434SS..EExtended strand (participates in β ladder)trans-107.3116.8-178.3-176.20000110.5V37 H39 V117V37-V119 HydrophobicContact CB-CG2 4.41Å; V37-V119 CarbonylContact O-C 3.53Å; V37-V119 VanDerWaalsContact O-CA 3.28Å; V37-V119 WeakPolarHBondContact O-CA 3.47Å; H39-V119 HydrophobicContact CB-CG1 3.67Å; V117-V119 HydrophobicContact CG1-CG2 4.11Å
120E96.9Very high97Very high66 Ų6681.3 Ų81.331%0.30844%0.437SS..EExtended strand (participates in β ladder)trans-96131170.4-177.7177.1158.600110.3H36 V37 F38 H39 H134H36-E120 IonicContact CE1-OE2 2.64Å; H36-E120 PolarHBondContact CE1-OE2 3.22Å; H36-E120 VanDerWaalsContact NE2-CB 3.26Å; H36-E120 WeakPolarHBondContact NE2-CB 3.25Å; H36-E120 IonicContact NE2-OE2 3.12Å; H36-E120 PolarHBondContact NE2-OE2 3.28Å; H36-E120 VanDerWaalsContact NE2-OE2 3.08Å; V37-E120 PolarHBondContact O-N 3.49Å; F38-E120 CarbonylContact C-O 3.58Å; F38-E120 WeakPolarHBondContact CA-O 3.42Å; F38-E120 HydrophobicContact CD1-CB 4.21Å; F38-E120 HydrophobicContact CD1-CG 4.45Å; F38-E120 HydrophobicContact CE1-CB 4.39Å; F38-E120 HydrophobicContact CE1-CG 4.48Å; H39-E120 PolarHBondContact N-O 2.99Å; E120-H134 IonicContact OE1-CD2 3.85Å; E120-H134 PolarHBondContact OE1-CD2 3.14Å; E120-H134 IonicContact OE1-NE2 3.67Å; E120-H134 PolarHBondContact OE1-NE2 2.79Å; E120-H134 VanDerWaalsContact OE1-NE2 3.11Å; E120-H134 IonicContact OE2-NE2 2.69Å
121K97.1Very high96.8Very high177 Ų17779.4 Ų79.477%0.7743%0.426SS*.EExtended strand (participates in β ladder)trans-82.3133.2174.6-67.5-179.3-178.2175.90109.9
122F97.1Very high96.6Very high13 Ų1381.5 Ų81.56%0.05742%0.424CS..EExtended strand (participates in β ladder)trans-120.9128.8177.4-176.7-89000111.2H39 C40 N41 G124 W127 M131 I137H39-F122 PolarHBondContact O-N 3.33Å; C40-F122 WeakPolarHBondContact CA-O 3.1Å; C40-F122 HydrophobicContact CB-CB 4.5Å; C40-F122 HydrophobicContact CB-CD1 4.3Å; N41-F122 PolarHBondContact N-O 3.46Å; N41-F122 VanDerWaalsContact N-O 3.14Å; N41-F122 PolarHBondContact OD1-O 3.5Å; F122-G124 PolarHBondContact O-N 3.4Å; F122-W127 HydrophobicContact CD1-CZ3 4.43Å; F122-W127 HydrophobicContact CE1-CD2 4.47Å; F122-W127 AromaticContact CE1-CE3 3.57Å; F122-W127 HydrophobicContact CE1-CE3 3.57Å; F122-W127 HydrophobicContact CE1-CH2 4.43Å; F122-W127 AromaticContact CE1-CZ3 3.53Å; F122-W127 HydrophobicContact CE1-CZ3 3.53Å; F122-W127 HydrophobicContact CZ-CE3 4.07Å; F122-W127 AromaticContact CZ-CZ3 4Å; F122-W127 HydrophobicContact CZ-CZ3 4Å; F122-M131 HydrophobicContact CE2-SD 4.14Å; F122-M131 HydrophobicContact CZ-CG 4.17Å; F122-M131 HydrophobicContact CZ-SD 3.82Å; F122-I137 HydrophobicContact CD2-CD1 4.35Å; F122-I137 HydrophobicContact CE2-CD1 4.32Å
123C97.3Very high96.5Very high47 Ų4781.3 Ų81.332%0.31842%0.415SS..  trans-82.183.7178.8-171.90000111.1N41 E125 K126 S130N41-C123 WeakPolarHBondContact OD1-CA 3.35Å; C123-E125 VanDerWaalsContact C-N 3.3Å; C123-E125 PolarHBondContact O-N 3.36Å; C123-K126 CarbonylContact O-C 3.45Å; C123-K126 PolarHBondContact O-N 3.32Å; C123-S130 WeakPolarHBondContact CB-OG 3.49Å; C123-S130 PolarHBondContact O-OG 2.6Å
124G96.4Very high96.2Very high8 Ų880.5 Ų80.58%0.08241%0.408CS..G310 helixtrans-74.8-16178.600000114.9C40 N41 F122 K126C40-G124 VanDerWaalsContact SG-CA 3.58Å; N41-G124 PolarHBondContact OD1-N 3.44Å; F122-G124 PolarHBondContact O-N 3.4Å; G124-K126 VanDerWaalsContact C-N 3.27Å
125E97.1Very high95.6Very high146 Ų14687 Ų8768%0.68243%0.431SS*.G310 helixtrans-65.7-34171.9-66.8178150.500111.7N41 C123N41-E125 PolarHBondContact ND2-OE2 3.13Å; N41-E125 PolarHBondContact OD1-N 2.88Å; C123-E125 VanDerWaalsContact C-N 3.3Å; C123-E125 PolarHBondContact O-N 3.36Å
126K96.8Very high95.2Very high116 Ų11682.6 Ų82.650%0.50442%0.422SS..G310 helixtrans-111.161174.6-59.8-169.8176.5-167.20110.3C123 G124 E128 E129 S130C123-K126 CarbonylContact O-C 3.45Å; C123-K126 PolarHBondContact O-N 3.32Å; G124-K126 VanDerWaalsContact C-N 3.27Å; K126-E128 PolarHBondContact O-N 2.99Å; K126-E129 HydrophobicContact CB-CB 4.39Å; K126-E129 WeakPolarHBondContact CD-OE2 3.48Å; K126-E129 IonicContact NZ-OE2 3.83Å; K126-E129 PolarHBondContact O-N 3.12Å; K126-S130 WeakPolarHBondContact O-CB 3.26Å; K126-S130 PolarHBondContact O-N 2.64Å; K126-S130 PolarHBondContact O-OG 3.47Å
127W95.3Very high94.9Very high47 Ų4780.6 Ų80.618%0.17841%0.407CS..Hα-helixtrans-54.8-50.9-171.3179.3-87.2000113.3R96 F122 S130 M131R96-W127 HydrophobicContact CB-CH2 4.02Å; R96-W127 HydrophobicContact CB-CZ2 3.8Å; R96-W127 HydrophobicContact CG-CH2 4.42Å; R96-W127 HydrophobicContact CG-CZ2 3.71Å; R96-W127 VanDerWaalsContact CZ-NE1 3.27Å; F122-W127 HydrophobicContact CD1-CZ3 4.43Å; F122-W127 HydrophobicContact CE1-CD2 4.47Å; F122-W127 AromaticContact CE1-CE3 3.57Å; F122-W127 HydrophobicContact CE1-CE3 3.57Å; F122-W127 HydrophobicContact CE1-CH2 4.43Å; F122-W127 AromaticContact CE1-CZ3 3.53Å; F122-W127 HydrophobicContact CE1-CZ3 3.53Å; F122-W127 HydrophobicContact CZ-CE3 4.07Å; F122-W127 AromaticContact CZ-CZ3 4Å; F122-W127 HydrophobicContact CZ-CZ3 4Å; W127-S130 PolarHBondContact O-N 3.03Å; W127-M131 HydrophobicContact CD2-CG 4.04Å; W127-M131 VanDerWaalsContact CE2-CG 3.47Å; W127-M131 HydrophobicContact CG-CG 4.33Å; W127-M131 HydrophobicContact CH2-CG 4.46Å; W127-M131 HydrophobicContact CH2-SD 4.02Å; W127-M131 HydrophobicContact CZ2-CG 3.73Å; W127-M131 HydrophobicContact CZ2-SD 3.68Å; W127-M131 WeakPolarHBondContact O-CB 3.38Å; W127-M131 WeakPolarHBondContact O-CG 3.29Å; W127-M131 PolarHBondContact O-N 2.97Å
128E95.4Very high94.6Very high116 Ų11682.7 Ų82.754%0.54241%0.41SS..Hα-helixtrans-65.8-45.4-173.9-54.8-54157.300112R96 K126 S130 M131 Q132R96-E128 IonicContact CZ-OE1 2.91Å; R96-E128 IonicContact NH1-OE1 3.08Å; R96-E128 PolarHBondContact NH1-OE1 3.08Å; R96-E128 IonicContact NH2-OE1 2.69Å; R96-E128 PolarHBondContact NH2-OE1 3.43Å; R96-E128 IonicContact NH2-OE2 3.01Å; K126-E128 PolarHBondContact O-N 2.99Å; E128-S130 VanDerWaalsContact C-N 3.33Å; E128-S130 PolarHBondContact O-N 3.48Å; E128-M131 PolarHBondContact O-N 3.11Å; E128-Q132 WeakPolarHBondContact O-CB 3.46Å; E128-Q132 PolarHBondContact O-N 3.41Å
129E96.4Very high94.3Very high119 Ų11980.6 Ų80.656%0.55640%0.4SS*.Hα-helixtrans-59.1-45.3175.1-67173.2-147.500111.1K126 Q132 A133K126-E129 HydrophobicContact CB-CB 4.39Å; K126-E129 WeakPolarHBondContact CD-OE2 3.48Å; K126-E129 IonicContact NZ-OE2 3.83Å; K126-E129 PolarHBondContact O-N 3.12Å; E129-Q132 PolarHBondContact O-N 2.9Å; E129-A133 WeakPolarHBondContact O-CB 3.33Å; E129-A133 PolarHBondContact O-N 2.76Å
130S95.6Very high94Very high23 Ų2379.7 Ų79.716%0.16139%0.392CS..Hα-helixtrans-66.3-40.6-178.8-60.30000111.8C123 K126 W127 E128 Q132 A133 H134C123-S130 WeakPolarHBondContact CB-OG 3.49Å; C123-S130 PolarHBondContact O-OG 2.6Å; K126-S130 WeakPolarHBondContact O-CB 3.26Å; K126-S130 PolarHBondContact O-N 2.64Å; K126-S130 PolarHBondContact O-OG 3.47Å; W127-S130 PolarHBondContact O-N 3.03Å; E128-S130 VanDerWaalsContact C-N 3.33Å; E128-S130 PolarHBondContact O-N 3.48Å; S130-Q132 VanDerWaalsContact C-N 3.32Å; S130-Q132 PolarHBondContact O-N 2.86Å; S130-A133 PolarHBondContact O-N 3.06Å; S130-H134 WeakPolarHBondContact O-CB 3.4Å; S130-H134 PolarHBondContact O-N 3.46Å
131M94.8Very high93.7Very high16 Ų1676.7 Ų76.78%0.07938%0.378CS..Hα-helixtrans-71-26.3177-72.8-59.4-56.800113.4F122 W127 E128 I137 K138F122-M131 HydrophobicContact CE2-SD 4.14Å; F122-M131 HydrophobicContact CZ-CG 4.17Å; F122-M131 HydrophobicContact CZ-SD 3.82Å; W127-M131 HydrophobicContact CD2-CG 4.04Å; W127-M131 VanDerWaalsContact CE2-CG 3.47Å; W127-M131 HydrophobicContact CG-CG 4.33Å; W127-M131 HydrophobicContact CH2-CG 4.46Å; W127-M131 HydrophobicContact CH2-SD 4.02Å; W127-M131 HydrophobicContact CZ2-CG 3.73Å; W127-M131 HydrophobicContact CZ2-SD 3.68Å; W127-M131 WeakPolarHBondContact O-CB 3.38Å; W127-M131 WeakPolarHBondContact O-CG 3.29Å; W127-M131 PolarHBondContact O-N 2.97Å; E128-M131 PolarHBondContact O-N 3.11Å; M131-I137 HydrophobicContact CE-CG2 3.61Å; M131-I137 HydrophobicContact SD-CG2 3.77Å; M131-K138 HydrophobicContact CE-CD 4.15Å; M131-K138 VanDerWaalsContact CE-CE 3.44Å; M131-K138 HydrophobicContact CE-CG 3.62Å
132Q92.6Very high93.2Very high179 Ų17971.9 Ų71.984%0.83636%0.357SS*.Hα-helixtrans-74.9-38.4172.9-174.1178.2500111.5E128 E129 S130E128-Q132 WeakPolarHBondContact O-CB 3.46Å; E128-Q132 PolarHBondContact O-N 3.41Å; E129-Q132 PolarHBondContact O-N 2.9Å; S130-Q132 VanDerWaalsContact C-N 3.32Å; S130-Q132 PolarHBondContact O-N 2.86Å
133A92.2Very high92Very high77 Ų7773.7 Ų73.764%0.63637%0.37SS*.Hα-helixtrans-79.8-31.9-179.700000113.4E129 S130E129-A133 WeakPolarHBondContact O-CB 3.33Å; E129-A133 PolarHBondContact O-N 2.76Å; S130-A133 PolarHBondContact O-N 3.06Å
134H91.8Very high90.4Very high31 Ų3175.9 Ų75.914%0.14438%0.376CS..  trans-78.5123.8-175.4-167.3-51000111.2F38 E120 S130 S136 I137F38-H134 AromaticContact CE1-NE2 3.48Å; F38-H134 WeakPolarHBondContact CE1-NE2 3.36Å; E120-H134 IonicContact OE1-CD2 3.85Å; E120-H134 PolarHBondContact OE1-CD2 3.14Å; E120-H134 IonicContact OE1-NE2 3.67Å; E120-H134 PolarHBondContact OE1-NE2 2.79Å; E120-H134 VanDerWaalsContact OE1-NE2 3.11Å; E120-H134 IonicContact OE2-NE2 2.69Å; S130-H134 WeakPolarHBondContact O-CB 3.4Å; S130-H134 PolarHBondContact O-N 3.46Å; H134-S136 PolarHBondContact CE1-OG 2.84Å; H134-S136 PolarHBondContact ND1-N 3.38Å; H134-I137 HydrophobicContact CB-CG2 4.29Å; H134-I137 PolarHBondContact CE1-N 2.83Å; H134-I137 VanDerWaalsContact CE1-N 3.33Å; H134-I137 PolarHBondContact ND1-N 2.87Å
135K85.8Confident88.4Confident193 Ų19378.5 Ų78.584%0.83940%0.403SS*.SBendtrans-81.1-39.4-168.5-62-177.9-179.1179.80114.6
136S88.2Confident86Confident48 Ų4876.9 Ų76.934%0.33640%0.399SS..SBendtrans-116.8-9.8-164.354.40000116.5H134 K138 D139 M140H134-S136 PolarHBondContact CE1-OG 2.84Å; H134-S136 PolarHBondContact ND1-N 3.38Å; S136-K138 VanDerWaalsContact C-N 3.25Å; S136-K138 PolarHBondContact O-N 3.32Å; S136-D139 WeakPolarHBondContact O-CB 3.45Å; S136-D139 PolarHBondContact O-N 2.91Å; S136-M140 PolarHBondContact O-N 3.09Å
137I91.7Very high83.4Confident4 Ų476.5 Ų76.52%0.02140%0.4CS..THydrogen-bonded Turntrans-60-36-172-167.7169.2000112.4F38 I54 N98 F122 M131 H134 D139 M140F38-I137 HydrophobicContact CD1-CD1 4.27Å; F38-I137 HydrophobicContact CD2-CD1 4.48Å; F38-I137 HydrophobicContact CE1-CD1 4.21Å; F38-I137 HydrophobicContact CE1-CG1 4.39Å; F38-I137 HydrophobicContact CE2-CD1 4.41Å; F38-I137 HydrophobicContact CE2-CG1 4.17Å; F38-I137 HydrophobicContact CG-CD1 4.4Å; F38-I137 HydrophobicContact CZ-CB 4.39Å; F38-I137 HydrophobicContact CZ-CD1 4.27Å; F38-I137 HydrophobicContact CZ-CG1 4.02Å; I54-I137 HydrophobicContact CD1-CD1 4.38Å; I54-I137 HydrophobicContact CD1-CG1 3.95Å; N98-I137 PolarHBondContact ND2-O 3.3Å; N98-I137 PolarHBondContact OD1-O 2.91Å; F122-I137 HydrophobicContact CD2-CD1 4.35Å; F122-I137 HydrophobicContact CE2-CD1 4.32Å; M131-I137 HydrophobicContact CE-CG2 3.61Å; M131-I137 HydrophobicContact SD-CG2 3.77Å; H134-I137 HydrophobicContact CB-CG2 4.29Å; H134-I137 PolarHBondContact CE1-N 2.83Å; H134-I137 VanDerWaalsContact CE1-N 3.33Å; H134-I137 PolarHBondContact ND1-N 2.87Å; I137-D139 PolarHBondContact O-N 3.19Å; I137-M140 WeakPolarHBondContact O-CB 3.28Å; I137-M140 PolarHBondContact O-N 3.44Å
138K91.8Very high80.7Confident118 Ų11885.3 Ų85.351%0.51345%0.449SS..THydrogen-bonded Turntrans-66.9-25.8177.5-67.5-178.9-178.3172.10112.8N98 M131 S136N98-K138 PolarHBondContact ND2-O 3.3Å; M131-K138 HydrophobicContact CE-CD 4.15Å; M131-K138 VanDerWaalsContact CE-CE 3.44Å; M131-K138 HydrophobicContact CE-CG 3.62Å; S136-K138 VanDerWaalsContact C-N 3.25Å; S136-K138 PolarHBondContact O-N 3.32Å
139D91.8Very high80Confident73 Ų7383.8 Ų83.839%0.3945%0.445SS..G310 helixtrans-86.3-17.2-175.8-51-37000111.5S136 I137 S141 K142 M147S136-D139 WeakPolarHBondContact O-CB 3.45Å; S136-D139 PolarHBondContact O-N 2.91Å; I137-D139 PolarHBondContact O-N 3.19Å; D139-S141 PolarHBondContact O-N 3.49Å; D139-K142 WeakPolarHBondContact O-CB 3.38Å; D139-K142 PolarHBondContact O-N 2.99Å; D139-M147 HydrophobicContact CB-SD 4.41Å
140M92.1Very high79.1Confident56 Ų5681.9 Ų81.928%0.27644%0.439SS..G310 helixtrans-60.3-20.3179.8-62.9-64.7-156.500114.5H36 F38 I54 S136 I137H36-M140 WeakPolarHBondContact ND1-CE 3.46Å; F38-M140 HydrophobicContact CE2-CE 4.13Å; F38-M140 HydrophobicContact CE2-CG 4.34Å; F38-M140 HydrophobicContact CZ-CE 3.8Å; F38-M140 HydrophobicContact CZ-CG 4.48Å; I54-M140 HydrophobicContact CB-CB 3.78Å; I54-M140 HydrophobicContact CG2-CB 3.77Å; S136-M140 PolarHBondContact O-N 3.09Å; I137-M140 WeakPolarHBondContact O-CB 3.28Å; I137-M140 PolarHBondContact O-N 3.44Å
141S90.9Very high78.2Confident3 Ų385.2 Ų85.22%0.02145%0.454CS..G310 helixtrans-1010174.458.20000113.9P56 N98 D100 D139P56-S141 WeakPolarHBondContact CA-O 3.33Å; P56-S141 VanDerWaalsContact CB-O 3.23Å; P56-S141 WeakPolarHBondContact CB-O 3.27Å; P56-S141 WeakPolarHBondContact CG-O 3.44Å; N98-S141 WeakPolarHBondContact CB-OG 3.49Å; N98-S141 WeakPolarHBondContact ND2-CB 3.48Å; N98-S141 PolarHBondContact ND2-N 3.22Å; N98-S141 PolarHBondContact ND2-OG 3.17Å; D100-S141 WeakPolarHBondContact OD1-CB 3.43Å; D100-S141 PolarHBondContact OD1-OG 2.78Å; D100-S141 PolarHBondContact OD2-OG 3.49Å; D139-S141 PolarHBondContact O-N 3.49Å
142K87.1Confident77.2Confident77 Ų7789.2 Ų89.234%0.33548%0.477SS..SBendtrans-84134.4177.5-55.7-56.4178.5-1720109.6D100 D139 M147D100-K142 IonicContact OD2-NZ 2.69Å; D100-K142 PolarHBondContact OD2-NZ 2.78Å; D139-K142 WeakPolarHBondContact O-CB 3.38Å; D139-K142 PolarHBondContact O-N 2.99Å; K142-M147 HydrophobicContact CB-CG 4.49Å
143P71.7Confident76.2Confident50 Ų5083.6 Ų83.633%0.32545%0.454SS..  trans-56.9147.3165.7-19.431.7000109.7G145 D146P143-G145 PolarHBondContact O-N 2.84Å; P143-D146 PolarHBondContact O-N 3.33Å
144E63.5Low75.2Confident94 Ų9484.1 Ų84.144%0.43944%0.442SS..G310 helixtrans-57.2-19.5-177.7-73.2158.7-160.800114R59 M147R59-E144 IonicContact CZ-OE1 2.97Å; R59-E144 IonicContact NH1-OE1 3.73Å; R59-E144 VanDerWaalsContact NH2-CD 3.28Å; R59-E144 IonicContact NH2-OE1 2.82Å; R59-E144 PolarHBondContact NH2-OE1 3.38Å; R59-E144 IonicContact NH2-OE2 3.4Å; E144-M147 HydrophobicContact CB-CE 4.22Å; E144-M147 HydrophobicContact CG-CE 3.88Å
145G54.1Low74Confident63 Ų6387.9 Ų87.965%0.64946%0.463SS*.G310 helixtrans-81.5-7.9175.300000116.2P143P143-G145 PolarHBondContact O-N 2.84Å
146D46.3Very low73.1Confident112 Ų11279.8 Ų79.860%0.59943%0.434SS*.G310 helixtrans-108.65.4-177.7-68.3-24.6000112.9P143 L148P143-D146 PolarHBondContact O-N 3.33Å; D146-L148 PolarHBondContact O-N 3.45Å; D146-L148 VanDerWaalsContact O-N 3.14Å
147M43Very low71.8Confident107 Ų10782.4 Ų82.453%0.52744%0.442SS..  trans-85.352.4176.1-71.1-168-92.200112D139 K142 E144D139-M147 HydrophobicContact CB-SD 4.41Å; K142-M147 HydrophobicContact CB-CG 4.49Å; E144-M147 HydrophobicContact CB-CE 4.22Å; E144-M147 HydrophobicContact CG-CE 3.88Å
148L38Very low70Confident232 Ų23289.5 Ų89.5100%1.21548%0.481SS*.  trans-102.10171.8-72.2174.9000111.7D146D146-L148 PolarHBondContact O-N 3.45Å; D146-L148 VanDerWaalsContact O-N 3.14Å

Retrieved 148 of 148 residues in 31.6 ms (Link to these results)

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