G4VHS6_SCHMA Loading...

Cytidine/deoxycytidylate deaminase-related

AlphaFold DB , UniProt , Accession G4VHS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M90.8Very high97.4Very high107 Ų10762.8 Ų62.853%0.52731%0.314SS..  0-40.20-16255.2-172.600112.5I3 A4 F5 F76 V77 T78M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.67Å; M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.28Å; M1-A4 HydrophobicContact SD-CB 4.34Å; M1-F5 PolarHBondContact O-N 3.2Å; M1-F76 HydrophobicContact SD-CB 4.12Å; M1-F76 HydrophobicContact SD-CD1 4.21Å; M1-V77 WeakPolarHBondContact CE-O 3.37Å; M1-T78 HydrophobicContact CE-CG2 3.99Å
2D95.1Very high97.5Very high128 Ų12867 Ų6768%0.68434%0.337SS*.Hα-helixtrans-50.7-46-174.8-54.5-31.7000114.3A4 F5 E6D2-A4 VanDerWaalsContact C-N 3.29Å; D2-A4 PolarHBondContact O-N 3.34Å; D2-F5 WeakPolarHBondContact O-CB 3.48Å; D2-F5 PolarHBondContact O-N 3.38Å; D2-E6 WeakPolarHBondContact O-CG 3.12Å; D2-E6 PolarHBondContact O-N 3.26Å
3I97.1Very high97.6Very high60 Ų6076.5 Ų76.531%0.30837%0.367SS..Hα-helixtrans-58.2-38.2177.6-167.462.9000113.2M1 F5 E6 L7 A22 V29M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.67Å; I3-F5 VanDerWaalsContact C-N 3.34Å; I3-E6 PolarHBondContact O-N 3.24Å; I3-L7 HydrophobicContact CG1-CD1 4.4Å; I3-L7 VanDerWaalsContact O-CG 3.27Å; I3-L7 WeakPolarHBondContact O-CG 3.42Å; I3-L7 PolarHBondContact O-N 3.43Å; I3-A22 HydrophobicContact CG2-CB 3.69Å; I3-V29 HydrophobicContact CG2-CG2 4.05Å
4A98Very high97.6Very high0 Ų076.3 Ų76.30%038%0.376CS..Hα-helixtrans-69.7-36.1178.200000110.6M1 D2 L7 A8 G20 T78M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.28Å; M1-A4 HydrophobicContact SD-CB 4.34Å; D2-A4 VanDerWaalsContact C-N 3.29Å; D2-A4 PolarHBondContact O-N 3.34Å; A4-L7 PolarHBondContact O-N 3.19Å; A4-A8 PolarHBondContact O-N 3.32Å; A4-G20 WeakPolarHBondContact O-CA 3.49Å; A4-T78 HydrophobicContact CB-CG2 4.03Å; A4-T78 VanDerWaalsContact O-CG2 3.29Å; A4-T78 WeakPolarHBondContact O-CG2 3.35Å
5F98.3Very high97.6Very high134 Ų13480.3 Ų80.359%0.58840%0.399SS*.Hα-helixtrans-69.4-39.7175.9-169.1-101.9000112.3M1 D2 I3 A8 C9M1-F5 PolarHBondContact O-N 3.2Å; D2-F5 WeakPolarHBondContact O-CB 3.48Å; D2-F5 PolarHBondContact O-N 3.38Å; I3-F5 VanDerWaalsContact C-N 3.34Å; F5-A8 PolarHBondContact O-N 2.88Å; F5-C9 PolarHBondContact O-N 2.86Å; F5-C9 PolarHBondContact O-SG 3.02Å
6E98.6Very high97.7Very high110 Ų11076.1 Ų76.151%0.51438%0.378SS..Hα-helixtrans-58.7-47.2172.8-72.2175.5-177.800111.3D2 I3 A8 C9 E10D2-E6 WeakPolarHBondContact O-CG 3.12Å; D2-E6 PolarHBondContact O-N 3.26Å; I3-E6 PolarHBondContact O-N 3.24Å; E6-A8 VanDerWaalsContact C-N 3.34Å; E6-A8 PolarHBondContact O-N 3.08Å; E6-C9 WeakPolarHBondContact O-CB 3.2Å; E6-C9 PolarHBondContact O-N 3.33Å; E6-C9 VanDerWaalsContact O-N 3.11Å; E6-E10 WeakPolarHBondContact O-CG 3.48Å; E6-E10 PolarHBondContact O-N 3Å
7L98.6Very high97.8Very high17 Ų1776.4 Ų76.49%0.08939%0.385CS..Hα-helixtrans-62.5-37.3176.3-72.5168.6000113I3 A4 E10 A11 R34I3-L7 HydrophobicContact CG1-CD1 4.4Å; I3-L7 VanDerWaalsContact O-CG 3.27Å; I3-L7 WeakPolarHBondContact O-CG 3.42Å; I3-L7 PolarHBondContact O-N 3.43Å; A4-L7 PolarHBondContact O-N 3.19Å; L7-E10 PolarHBondContact O-N 2.96Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.31Å; L7-R34 HydrophobicContact CB-CB 4.26Å
8A98.7Very high97.8Very high7 Ų775.6 Ų75.66%0.05839%0.386CS..Hα-helixtrans-64.6-39.8172.800000111.9A4 F5 E6 E10 A11 L12 P18 T78A4-A8 PolarHBondContact O-N 3.32Å; F5-A8 PolarHBondContact O-N 2.88Å; E6-A8 VanDerWaalsContact C-N 3.34Å; E6-A8 PolarHBondContact O-N 3.08Å; A8-E10 VanDerWaalsContact C-N 3.31Å; A8-E10 PolarHBondContact O-N 3.21Å; A8-A11 WeakPolarHBondContact O-CB 3.41Å; A8-A11 PolarHBondContact O-N 3.14Å; A8-L12 PolarHBondContact O-N 3.26Å; A8-P18 WeakPolarHBondContact CB-O 3.24Å; A8-T78 HydrophobicContact CB-CG2 3.84Å
9C98.6Very high97.9Very high42 Ų4272.5 Ų72.528%0.28437%0.371SS..Hα-helixtrans-66.3-33.5174.6-66.80000112.2F5 E6 R13F5-C9 PolarHBondContact O-N 2.86Å; F5-C9 PolarHBondContact O-SG 3.02Å; E6-C9 WeakPolarHBondContact O-CB 3.2Å; E6-C9 PolarHBondContact O-N 3.33Å; E6-C9 VanDerWaalsContact O-N 3.11Å; C9-R13 WeakPolarHBondContact O-CG 3.37Å; C9-R13 PolarHBondContact O-N 2.86Å; C9-R13 PolarHBondContact O-NE 3.12Å; C9-R13 VanDerWaalsContact O-NE 3.12Å
10E98.7Very high97.9Very high86 Ų8668.9 Ų68.940%0.40235%0.352SS..Hα-helixtrans-69.1-45.5172.1-71.2179.2-178.300111.9E6 L7 A8 L12 R13 C14 R34E6-E10 WeakPolarHBondContact O-CG 3.48Å; E6-E10 PolarHBondContact O-N 3Å; L7-E10 PolarHBondContact O-N 2.96Å; A8-E10 VanDerWaalsContact C-N 3.31Å; A8-E10 PolarHBondContact O-N 3.21Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.21Å; E10-R13 PolarHBondContact O-N 3.37Å; E10-R13 VanDerWaalsContact O-N 3.15Å; E10-C14 PolarHBondContact O-N 2.87Å; E10-R34 PolarHBondContact O-NH1 3.47Å
11A98.7Very high97.9Very high0 Ų065.6 Ų65.60%034%0.335CS..Hα-helixtrans-51.9-50.9173.200000111.3L7 A8 R13 C14 N15 E16 V17 R34L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.31Å; A8-A11 WeakPolarHBondContact O-CB 3.41Å; A8-A11 PolarHBondContact O-N 3.14Å; A11-R13 VanDerWaalsContact C-N 3.31Å; A11-R13 PolarHBondContact O-N 3.04Å; A11-C14 CarbonylContact O-C 3.49Å; A11-C14 PolarHBondContact O-N 2.9Å; A11-N15 PolarHBondContact O-N 3.03Å; A11-E16 HydrophobicContact CB-CB 4.02Å; A11-E16 WeakPolarHBondContact O-CB 3.28Å; A11-E16 PolarHBondContact O-N 3.45Å; A11-V17 WeakPolarHBondContact CB-O 3.34Å; A11-R34 HydrophobicContact CB-CB 4.16Å; A11-R34 HydrophobicContact CB-CG 4.45Å
12L98.6Very high98.3Very high113 Ų11360.5 Ų60.559%0.59231%0.31SS*.Hα-helixtrans-56-45.9176.9-173.859.8000112.2A8 E10 C14 N15 P18A8-L12 PolarHBondContact O-N 3.26Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.21Å; L12-C14 VanDerWaalsContact C-N 3.25Å; L12-C14 PolarHBondContact O-N 3.33Å; L12-N15 PolarHBondContact O-N 3.48Å; L12-N15 VanDerWaalsContact O-N 3.07Å; L12-P18 HydrophobicContact CB-CB 4.17Å
13R98.6Very high98.4Very high191 Ų19154.7 Ų54.772%0.72128%0.279SS*.Hα-helixtrans-64.4-27.7178.9-78.7-178.8-90.4178.8-5.5113.3C9 E10 A11 N15C9-R13 WeakPolarHBondContact O-CG 3.37Å; C9-R13 PolarHBondContact O-N 2.86Å; C9-R13 PolarHBondContact O-NE 3.12Å; C9-R13 VanDerWaalsContact O-NE 3.12Å; E10-R13 PolarHBondContact O-N 3.37Å; E10-R13 VanDerWaalsContact O-N 3.15Å; A11-R13 VanDerWaalsContact C-N 3.31Å; A11-R13 PolarHBondContact O-N 3.04Å; R13-N15 VanDerWaalsContact C-N 3.33Å
14C98.2Very high98.5Very high73 Ų7353 Ų5349%0.49327%0.272SS..THydrogen-bonded Turntrans-92.913.3175-61.80000113.7E10 A11 L12 E16 R34E10-C14 PolarHBondContact O-N 2.87Å; A11-C14 CarbonylContact O-C 3.49Å; A11-C14 PolarHBondContact O-N 2.9Å; L12-C14 VanDerWaalsContact C-N 3.25Å; L12-C14 PolarHBondContact O-N 3.33Å; C14-E16 VanDerWaalsContact C-N 3.28Å; C14-E16 PolarHBondContact O-N 3.31Å; C14-R34 PolarHBondContact SG-NH1 2.83Å; C14-R34 PolarHBondContact SG-NH2 2.97Å
15N98.2Very high98.4Very high137 Ų13755 Ų5573%0.73328%0.279SS*.THydrogen-bonded Turntrans61.436.8-179.9-154.651.7000112.9A11 L12 R13 N38A11-N15 PolarHBondContact O-N 3.03Å; L12-N15 PolarHBondContact O-N 3.48Å; L12-N15 VanDerWaalsContact O-N 3.07Å; R13-N15 VanDerWaalsContact C-N 3.33Å; N15-N38 PolarHBondContact O-ND2 2.97Å
16E98.7Very high98.3Very high12 Ų1255 Ų556%0.05629%0.286CS..SBendtrans-103.9165.7169.9-72.1-77.9-173.700110.4A11 C14 N35 E36 V37 N38 A39A11-E16 HydrophobicContact CB-CB 4.02Å; A11-E16 WeakPolarHBondContact O-CB 3.28Å; A11-E16 PolarHBondContact O-N 3.45Å; C14-E16 VanDerWaalsContact C-N 3.28Å; C14-E16 PolarHBondContact O-N 3.31Å; E16-N35 HydrophobicContact CB-CB 4.4Å; E16-N35 WeakPolarHBondContact CB-O 3.45Å; E16-N35 VanDerWaalsContact CG-O 3.29Å; E16-N35 WeakPolarHBondContact CG-O 3.32Å; E16-N35 PolarHBondContact OE2-ND2 3.21Å; E16-E36 VanDerWaalsContact OE1-CA 3.28Å; E16-E36 WeakPolarHBondContact OE1-CA 3.23Å; E16-V37 PolarHBondContact OE1-N 2.89Å; E16-V37 PolarHBondContact OE2-N 2.88Å; E16-N38 WeakPolarHBondContact OE1-CA 3.22Å; E16-N38 WeakPolarHBondContact OE1-CB 3.24Å; E16-N38 PolarHBondContact OE1-N 2.81Å; E16-N38 PolarHBondContact OE2-N 3.31Å; E16-N38 VanDerWaalsContact OE2-N 3.17Å; E16-A39 PolarHBondContact OE1-N 2.92Å
17V98.5Very high98.1Very high82 Ų8253.4 Ų53.450%0.49730%0.299SS..  trans-60.8130.9169.5-172.10000108.3A11 V19 N35A11-V17 WeakPolarHBondContact CB-O 3.34Å; V17-V19 HydrophobicContact CG1-CG2 3.88Å; V17-V19 PolarHBondContact O-N 2.99Å; V17-N35 HydrophobicContact CB-CB 4.31Å; V17-N35 VanDerWaalsContact O-CB 3.29Å; V17-N35 WeakPolarHBondContact O-CB 3.43Å
18P98.7Very high98Very high61 Ų6159 Ų5940%0.39632%0.324SS..SBendtrans-76.461.1-171.632.8-38.3000112.9A8 L12 T78A8-P18 WeakPolarHBondContact CB-O 3.24Å; L12-P18 HydrophobicContact CB-CB 4.17Å; P18-T78 PolarHBondContact O-OG1 2.94Å
19V98.8Very high98Very high17 Ų1761.7 Ų61.710%0.10334%0.34CS..  trans-111.1123.9174.9-168.60000108.7V17 R34 N35 A47 V77 T78 V79V17-V19 HydrophobicContact CG1-CG2 3.88Å; V17-V19 PolarHBondContact O-N 2.99Å; V19-R34 VanDerWaalsContact O-CA 3.28Å; V19-R34 WeakPolarHBondContact O-CA 3.44Å; V19-N35 PolarHBondContact O-N 3.3Å; V19-N35 VanDerWaalsContact O-N 3.09Å; V19-A47 HydrophobicContact CB-CB 3.97Å; V19-A47 HydrophobicContact CG1-CB 3.62Å; V19-A47 WeakPolarHBondContact O-CB 3.33Å; V19-V77 HydrophobicContact CG1-CG2 3.84Å; V19-T78 WeakPolarHBondContact CA-OG1 3.38Å; V19-V79 HydrophobicContact CG2-CB 4.37Å; V19-V79 HydrophobicContact CG2-CG2 4.2Å
20G98.7Very high97.9Very high0 Ų060.2 Ų60.20%033%0.329CS..EExtended strand (participates in β ladder)trans-120.9149170.200000110A4 V77 T78A4-G20 WeakPolarHBondContact O-CA 3.49Å; G20-V77 WeakPolarHBondContact O-CA 3.49Å; G20-T78 PolarHBondContact N-OG1 3.34Å; G20-T78 VanDerWaalsContact N-OG1 3.09Å; G20-T78 PolarHBondContact O-N 3.42Å; G20-T78 VanDerWaalsContact O-N 3.1Å
21C98.4Very high97.9Very high0 Ų056.5 Ų56.50%031%0.313CS..EExtended strand (participates in β ladder)trans-146145-170.8-174.60000111S32 G33 A47 T51 L75 F76 V77C21-S32 CarbonylContact O-C 3.59Å; C21-S32 VanDerWaalsContact O-CA 3.23Å; C21-S32 WeakPolarHBondContact O-CA 3.35Å; C21-S32 WeakPolarHBondContact O-CB 3.31Å; C21-G33 PolarHBondContact N-O 3.25Å; C21-G33 PolarHBondContact O-N 2.86Å; C21-A47 HydrophobicContact CB-CB 3.76Å; C21-T51 WeakPolarHBondContact CB-OG1 3.26Å; C21-L75 WeakPolarHBondContact SG-CD1 3.48Å; C21-F76 CarbonylContact C-O 3.53Å; C21-F76 VanDerWaalsContact CA-O 3.23Å; C21-F76 WeakPolarHBondContact CA-O 3.49Å; C21-V77 HydrophobicContact CB-CG2 4.39Å
22A98.5Very high97.9Very high0 Ų057.9 Ų57.90%032%0.323CS..EExtended strand (participates in β ladder)trans-150137176.900000112.4I3 V29 A31 F76I3-A22 HydrophobicContact CG2-CB 3.69Å; A22-V29 HydrophobicContact CB-CG1 4.17Å; A22-A31 CarbonylContact C-O 3.59Å; A22-A31 VanDerWaalsContact CA-O 3.3Å; A22-A31 WeakPolarHBondContact CA-O 3.43Å; A22-F76 PolarHBondContact N-O 2.84Å; A22-F76 PolarHBondContact O-N 3.37Å
23F98Very high97.9Very high6 Ų652.5 Ų52.53%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-89.7129.4166.2-80.9-69000110.2V29 I30 A31 T51 I52 L55 L70 C73 D74 L75F23-V29 WeakPolarHBondContact O-CA 3.49Å; F23-I30 HydrophobicContact CB-CD1 4.48Å; F23-I30 HydrophobicContact CB-CG1 3.96Å; F23-I30 PolarHBondContact O-N 3.47Å; F23-A31 HydrophobicContact CB-CB 4.35Å; F23-A31 HydrophobicContact CD2-CB 4.33Å; F23-A31 PolarHBondContact N-O 3.5Å; F23-T51 HydrophobicContact CD2-CG2 3.49Å; F23-T51 VanDerWaalsContact CD2-CG2 3.49Å; F23-T51 HydrophobicContact CE2-CG2 3.97Å; F23-T51 HydrophobicContact CG-CG2 4.4Å; F23-I52 HydrophobicContact CE2-CG1 3.94Å; F23-I52 HydrophobicContact CZ-CG1 4.17Å; F23-L55 HydrophobicContact CB-CD1 4.36Å; F23-L55 HydrophobicContact CD1-CD2 4.34Å; F23-L55 HydrophobicContact CD2-CB 3.94Å; F23-L55 HydrophobicContact CD2-CD1 4.33Å; F23-L55 HydrophobicContact CD2-CD2 3.69Å; F23-L55 HydrophobicContact CD2-CG 4.2Å; F23-L55 HydrophobicContact CE1-CD2 4.27Å; F23-L55 HydrophobicContact CE2-CB 4.21Å; F23-L55 HydrophobicContact CE2-CD2 3.66Å; F23-L55 HydrophobicContact CE2-CG 4.49Å; F23-L55 HydrophobicContact CG-CD1 4.42Å; F23-L55 HydrophobicContact CG-CD2 4.05Å; F23-L55 HydrophobicContact CZ-CD2 3.95Å; F23-L70 HydrophobicContact CE1-CD2 4.25Å; F23-L70 HydrophobicContact CZ-CD2 4.07Å; F23-C73 HydrophobicContact CD1-CB 4.18Å; F23-C73 WeakPolarHBondContact CD1-SG 3.41Å; F23-C73 VanDerWaalsContact CE1-SG 3.56Å; F23-D74 WeakPolarHBondContact CA-O 3.4Å; F23-L75 HydrophobicContact CD1-CB 4.3Å; F23-L75 HydrophobicContact CD1-CD1 3.8Å; F23-L75 HydrophobicContact CD2-CD1 4.11Å; F23-L75 HydrophobicContact CE1-CB 4.06Å; F23-L75 HydrophobicContact CE1-CD1 3.65Å; F23-L75 HydrophobicContact CE1-CG 4.36Å; F23-L75 HydrophobicContact CE2-CD1 3.93Å; F23-L75 HydrophobicContact CG-CD1 4.04Å; F23-L75 HydrophobicContact CZ-CD1 3.71Å
24V97.8Very high97.9Very high26 Ų2645.6 Ų45.616%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-114.8128.4175.5179.30000109.2E28 V29 C73 D74 F76V24-E28 CarbonylContact C-O 3.52Å; V24-E28 VanDerWaalsContact CA-O 3.26Å; V24-E28 WeakPolarHBondContact CA-O 3.46Å; V24-V29 HydrophobicContact CG2-CG2 4.18Å; V24-C73 CarbonylContact O-C 3.51Å; V24-C73 VanDerWaalsContact O-CA 3.24Å; V24-C73 WeakPolarHBondContact O-CA 2.91Å; V24-C73 WeakPolarHBondContact O-CB 3.29Å; V24-D74 PolarHBondContact N-O 3.43Å; V24-D74 PolarHBondContact O-N 3.35Å; V24-F76 HydrophobicContact CB-CD2 4.23Å; V24-F76 HydrophobicContact CB-CE2 3.86Å; V24-F76 HydrophobicContact CG2-CD2 3.62Å; V24-F76 HydrophobicContact CG2-CE2 3.61Å
25Y96.8Very high97.9Very high40 Ų4042.4 Ų42.416%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-130.2124.7176.9173.5-113.7000108.6G27 E28 I30 W58 I69 E72Y25-G27 PolarHBondContact O-N 2.88Å; Y25-E28 PolarHBondContact N-O 3.36Å; Y25-E28 PolarHBondContact O-N 3.39Å; Y25-I30 HydrophobicContact CG-CD1 4.36Å; Y25-W58 HydrophobicContact CD1-CH2 4.44Å; Y25-I69 HydrophobicContact CD1-CD1 4.24Å; Y25-I69 HydrophobicContact CD2-CD1 4.5Å; Y25-I69 HydrophobicContact CE1-CD1 3.99Å; Y25-I69 HydrophobicContact CE2-CD1 4.28Å; Y25-I69 HydrophobicContact CG-CD1 4.49Å; Y25-E72 HydrophobicContact CD2-CB 3.92Å; Y25-E72 HydrophobicContact CE2-CB 3.59Å; Y25-E72 WeakPolarHBondContact CE2-OE2 3.49Å; Y25-E72 PolarHBondContact OH-OE2 3.41Å
26N95.2Very high97.9Very high135 Ų13537.9 Ų37.972%0.72222%0.221SC*.THydrogen-bonded Turntrans50.739-174.7-65.9-35.9000114.1E28N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 PolarHBondContact O-N 3.21Å
27G95.2Very high97.9Very high76 Ų7638.8 Ų38.878%0.78423%0.228SC*.THydrogen-bonded Turntrans78.11.6179.400000115.2Y25Y25-G27 PolarHBondContact O-N 2.88Å
28E96.6Very high97.9Very high135 Ų13539.5 Ų39.563%0.63123%0.228SC*.EExtended strand (participates in β ladder)trans-109140.2177.3-171.5177.4178.400111.3V24 Y25 N26 I30V24-E28 CarbonylContact C-O 3.52Å; V24-E28 VanDerWaalsContact CA-O 3.26Å; V24-E28 WeakPolarHBondContact CA-O 3.46Å; Y25-E28 PolarHBondContact N-O 3.36Å; Y25-E28 PolarHBondContact O-N 3.39Å; N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 PolarHBondContact O-N 3.21Å; E28-I30 PolarHBondContact O-N 3.23Å
29V97.8Very high97.9Very high63 Ų6340.3 Ų40.338%0.38224%0.24SC..EExtended strand (participates in β ladder)trans-75.8112.1173.3179.20000108.9I3 A22 F23 V24I3-V29 HydrophobicContact CG2-CG2 4.05Å; A22-V29 HydrophobicContact CB-CG1 4.17Å; F23-V29 WeakPolarHBondContact O-CA 3.49Å; V24-V29 HydrophobicContact CG2-CG2 4.18Å
30I97.8Very high97.9Very high11 Ų1142.2 Ų42.26%0.05625%0.252CS..EExtended strand (participates in β ladder)trans-98.9-23-177.657.4166.1000113.2F23 Y25 E28 L55 W58 I69F23-I30 HydrophobicContact CB-CD1 4.48Å; F23-I30 HydrophobicContact CB-CG1 3.96Å; F23-I30 PolarHBondContact O-N 3.47Å; Y25-I30 HydrophobicContact CG-CD1 4.36Å; E28-I30 PolarHBondContact O-N 3.23Å; I30-L55 HydrophobicContact CD1-CD1 3.3Å; I30-L55 HydrophobicContact CG1-CD1 3.85Å; I30-W58 HydrophobicContact CB-CD2 3.96Å; I30-W58 HydrophobicContact CB-CE3 4.33Å; I30-W58 HydrophobicContact CB-CG 4.38Å; I30-W58 HydrophobicContact CB-CH2 4.41Å; I30-W58 HydrophobicContact CB-CZ2 4.03Å; I30-W58 HydrophobicContact CD1-CE3 4.19Å; I30-W58 HydrophobicContact CD1-CH2 4.47Å; I30-W58 HydrophobicContact CD1-CZ3 4.1Å; I30-W58 HydrophobicContact CG2-CD2 4.42Å; I30-W58 HydrophobicContact CG2-CH2 3.96Å; I30-W58 HydrophobicContact CG2-CZ2 3.55Å; I30-I69 HydrophobicContact CD1-CG2 3.48Å; I30-I69 VanDerWaalsContact CD1-CG2 3.48Å
31A98.1Very high97.8Very high8 Ų853.2 Ų53.27%0.06629%0.293CS..EExtended strand (participates in β ladder)trans-152.6148.3173.100000110A22 F23 T51 R54 L55A22-A31 CarbonylContact C-O 3.59Å; A22-A31 VanDerWaalsContact CA-O 3.3Å; A22-A31 WeakPolarHBondContact CA-O 3.43Å; F23-A31 HydrophobicContact CB-CB 4.35Å; F23-A31 HydrophobicContact CD2-CB 4.33Å; F23-A31 PolarHBondContact N-O 3.5Å; A31-T51 HydrophobicContact CB-CG2 4.22Å; A31-R54 HydrophobicContact CB-CB 4.22Å; A31-L55 HydrophobicContact CB-CB 3.81Å; A31-L55 HydrophobicContact CB-CD1 4.2Å
32S98.4Very high97.8Very high30 Ų3055.9 Ų55.921%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-153155.1176.869.10000111.2C21 R54C21-S32 CarbonylContact O-C 3.59Å; C21-S32 VanDerWaalsContact O-CA 3.23Å; C21-S32 WeakPolarHBondContact O-CA 3.35Å; C21-S32 WeakPolarHBondContact O-CB 3.31Å; S32-R54 WeakPolarHBondContact O-CD 3.23Å; S32-R54 PolarHBondContact O-NH1 3.1Å
33G98.4Very high97.8Very high0 Ų059.4 Ų59.40%034%0.337CS..EExtended strand (participates in β ladder)trans-163.6162.2-172.900000112.2C21 T51C21-G33 PolarHBondContact N-O 3.25Å; C21-G33 PolarHBondContact O-N 2.86Å; G33-T51 WeakPolarHBondContact CA-OG1 3.35Å; G33-T51 PolarHBondContact N-OG1 2.99Å
34R98.6Very high97.9Very high46 Ų4661.6 Ų61.617%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-131168.3175.770.1-179.8-177.61370.9109.2L7 E10 A11 C14 V19 E36L7-R34 HydrophobicContact CB-CB 4.26Å; E10-R34 PolarHBondContact O-NH1 3.47Å; A11-R34 HydrophobicContact CB-CB 4.16Å; A11-R34 HydrophobicContact CB-CG 4.45Å; C14-R34 PolarHBondContact SG-NH1 2.83Å; C14-R34 PolarHBondContact SG-NH2 2.97Å; V19-R34 VanDerWaalsContact O-CA 3.28Å; V19-R34 WeakPolarHBondContact O-CA 3.44Å; R34-E36 HydrophobicContact CG-CG 4.39Å; R34-E36 PolarHBondContact O-N 2.83Å
35N98.7Very high97.9Very high6 Ų661.4 Ų61.43%0.03235%0.348CS..  trans-59.7131.3173.9-163.186000110.7E16 V17 V19 V37E16-N35 HydrophobicContact CB-CB 4.4Å; E16-N35 WeakPolarHBondContact CB-O 3.45Å; E16-N35 VanDerWaalsContact CG-O 3.29Å; E16-N35 WeakPolarHBondContact CG-O 3.32Å; E16-N35 PolarHBondContact OE2-ND2 3.21Å; V17-N35 HydrophobicContact CB-CB 4.31Å; V17-N35 VanDerWaalsContact O-CB 3.29Å; V17-N35 WeakPolarHBondContact O-CB 3.43Å; V19-N35 PolarHBondContact O-N 3.3Å; V19-N35 VanDerWaalsContact O-N 3.09Å; N35-V37 PolarHBondContact ND2-N 2.97Å
36E98.7Very high98Very high41 Ų4162 Ų6219%0.19235%0.352CS..  trans-130.818.5-177.8-70.5178.9-174.100112E16 R34 N38 A39 T40 Q45 V50 R54E16-E36 VanDerWaalsContact OE1-CA 3.28Å; E16-E36 WeakPolarHBondContact OE1-CA 3.23Å; R34-E36 HydrophobicContact CG-CG 4.39Å; R34-E36 PolarHBondContact O-N 2.83Å; E36-N38 PolarHBondContact O-N 3.49Å; E36-A39 PolarHBondContact O-N 3.08Å; E36-T40 HydrophobicContact CB-CG2 4.03Å; E36-T40 WeakPolarHBondContact O-CB 3.23Å; E36-T40 WeakPolarHBondContact O-CG2 3.27Å; E36-T40 PolarHBondContact O-N 3.49Å; E36-T40 PolarHBondContact O-OG1 3.42Å; E36-Q45 HydrophobicContact CB-CB 4.3Å; E36-Q45 PolarHBondContact N-O 3.29Å; E36-V50 HydrophobicContact CB-CG2 4.18Å; E36-V50 HydrophobicContact CG-CG2 4.29Å; E36-R54 IonicContact OE1-CZ 3.96Å; E36-R54 IonicContact OE1-NH2 2.8Å; E36-R54 PolarHBondContact OE1-NH2 3.22Å
37V98.8Very high98.1Very high32 Ų3255.5 Ų55.519%0.19432%0.318CS..Hα-helixtrans-57-47.2-176.5170.70000112.1E16 N35 R41 D42 Q45E16-V37 PolarHBondContact OE1-N 2.89Å; E16-V37 PolarHBondContact OE2-N 2.88Å; N35-V37 PolarHBondContact ND2-N 2.97Å; V37-R41 VanDerWaalsContact O-CA 3.24Å; V37-R41 WeakPolarHBondContact O-CA 3.26Å; V37-R41 PolarHBondContact O-N 3.47Å; V37-D42 WeakPolarHBondContact CA-O 3.44Å; V37-D42 PolarHBondContact O-N 2.98Å; V37-Q45 HydrophobicContact CG2-CB 4.48Å; V37-Q45 PolarHBondContact N-O 3.26Å
38N98.4Very high98.3Very high96 Ų9652.3 Ų52.351%0.51328%0.282SS..Hα-helixtrans-71-42.5-178.3-65.9-25.4000111.4N15 E16 E36N15-N38 PolarHBondContact O-ND2 2.97Å; E16-N38 WeakPolarHBondContact OE1-CA 3.22Å; E16-N38 WeakPolarHBondContact OE1-CB 3.24Å; E16-N38 PolarHBondContact OE1-N 2.81Å; E16-N38 PolarHBondContact OE2-N 3.31Å; E16-N38 VanDerWaalsContact OE2-N 3.17Å; E36-N38 PolarHBondContact O-N 3.49Å
39A98.2Very high98.4Very high78 Ų7847.6 Ų47.665%0.64526%0.261SS*.Hα-helixtrans-64.1-41.6-179.100000112.2E16 E36E16-A39 PolarHBondContact OE1-N 2.92Å; E36-A39 PolarHBondContact O-N 3.08Å
40T98Very high98.4Very high57 Ų5744.9 Ų44.935%0.3524%0.244SC..Hα-helixtrans-90.6-17-177.360.80000113.3E36 D42 Q45E36-T40 HydrophobicContact CB-CG2 4.03Å; E36-T40 WeakPolarHBondContact O-CB 3.23Å; E36-T40 WeakPolarHBondContact O-CG2 3.27Å; E36-T40 PolarHBondContact O-N 3.49Å; E36-T40 PolarHBondContact O-OG1 3.42Å; T40-D42 PolarHBondContact O-N 3.27Å; T40-D42 PolarHBondContact OG1-N 2.86Å; T40-Q45 HydrophobicContact CG2-CG 4.21Å; T40-Q45 WeakPolarHBondContact OG1-CB 3.35Å; T40-Q45 WeakPolarHBondContact OG1-CG 3.27Å
41R98.3Very high98.4Very high231 Ų23144.3 Ų44.387%0.87224%0.241SC*.THydrogen-bonded Turntrans56.331.6-170.4-55.4179.9175.9178.7-1.7112.8V37V37-R41 VanDerWaalsContact O-CA 3.24Å; V37-R41 WeakPolarHBondContact O-CA 3.26Å; V37-R41 PolarHBondContact O-N 3.47Å
42D98.6Very high98.4Very high57 Ų5745 Ų4531%0.30524%0.244SC..  trans-122.3114.9176.41740.1000108.5V37 T40 T44 Q45V37-D42 WeakPolarHBondContact CA-O 3.44Å; V37-D42 PolarHBondContact O-N 2.98Å; T40-D42 PolarHBondContact O-N 3.27Å; T40-D42 PolarHBondContact OG1-N 2.86Å; D42-T44 PolarHBondContact O-N 3.46Å; D42-T44 VanDerWaalsContact O-N 3.08Å; D42-T44 WeakPolarHBondContact OD1-CB 3.47Å; D42-T44 PolarHBondContact OD1-N 3.29Å; D42-T44 PolarHBondContact OD1-OG1 3.04Å; D42-T44 PolarHBondContact OD2-OG1 2.85Å; D42-T44 VanDerWaalsContact OD2-OG1 3.07Å; D42-Q45 HydrophobicContact CB-CG 3.77Å; D42-Q45 WeakPolarHBondContact O-CB 3.37Å; D42-Q45 PolarHBondContact O-N 2.88Å; D42-Q45 VanDerWaalsContact O-N 3.13Å
43A98.3Very high98.4Very high73 Ų7348.5 Ų48.560%0.60325%0.252SS*.THydrogen-bonded Turntrans-62.8-14.8-177.800000113.6H46A43-H46 PolarHBondContact O-CD2 3.16Å; A43-H46 PolarHBondContact O-NE2 3.5Å
44T98.4Very high98.4Very high53 Ų5353 Ų5333%0.32527%0.269SS..THydrogen-bonded Turntrans-84.7-9.2178.970.70000113.4D42 H46 M49 M84D42-T44 PolarHBondContact O-N 3.46Å; D42-T44 VanDerWaalsContact O-N 3.08Å; D42-T44 WeakPolarHBondContact OD1-CB 3.47Å; D42-T44 PolarHBondContact OD1-N 3.29Å; D42-T44 PolarHBondContact OD1-OG1 3.04Å; D42-T44 PolarHBondContact OD2-OG1 2.85Å; D42-T44 VanDerWaalsContact OD2-OG1 3.07Å; T44-H46 PolarHBondContact O-N 3.2Å; T44-M49 VanDerWaalsContact O-CB 3.3Å; T44-M49 WeakPolarHBondContact O-CB 3.48Å; T44-M49 VanDerWaalsContact O-CG 3.27Å; T44-M49 WeakPolarHBondContact O-CG 3.39Å; T44-M84 HydrophobicContact CG2-SD 4.49Å
45Q98.3Very high98.3Very high22 Ų2250.8 Ų50.810%0.10326%0.261CS..  trans-81.951.6-172.9-67.3-81.556.500113.1E36 V37 T40 D42 V50E36-Q45 HydrophobicContact CB-CB 4.3Å; E36-Q45 PolarHBondContact N-O 3.29Å; V37-Q45 HydrophobicContact CG2-CB 4.48Å; V37-Q45 PolarHBondContact N-O 3.26Å; T40-Q45 HydrophobicContact CG2-CG 4.21Å; T40-Q45 WeakPolarHBondContact OG1-CB 3.35Å; T40-Q45 WeakPolarHBondContact OG1-CG 3.27Å; D42-Q45 HydrophobicContact CB-CG 3.77Å; D42-Q45 WeakPolarHBondContact O-CB 3.37Å; D42-Q45 PolarHBondContact O-N 2.88Å; D42-Q45 VanDerWaalsContact O-N 3.13Å; Q45-V50 HydrophobicContact CB-CG2 4.31Å
46H98.7Very high98.3Very high51 Ų5153.7 Ų53.724%0.23627%0.274CS..  trans-69.2158.9169-70.4-162.2000110.9A43 T44 E48 M49 V50 M84 C85A43-H46 PolarHBondContact O-CD2 3.16Å; A43-H46 PolarHBondContact O-NE2 3.5Å; T44-H46 PolarHBondContact O-N 3.2Å; H46-E48 VanDerWaalsContact C-N 3.25Å; H46-E48 PolarHBondContact O-N 3.45Å; H46-M49 HydrophobicContact CB-CG 4.44Å; H46-M49 PolarHBondContact O-N 3.47Å; H46-M49 VanDerWaalsContact O-N 3.08Å; H46-V50 WeakPolarHBondContact O-CG2 3.3Å; H46-V50 PolarHBondContact O-N 3.2Å; H46-M84 HydrophobicContact CB-CE 4.44Å; H46-C85 PolarHBondContact ND1-SG 3.15Å
47A98.7Very high98.2Very high0 Ų057.3 Ų57.30%029%0.291CS..Hα-helixtrans-55.3-41-17600000112.6V19 C21 V50 T51V19-A47 HydrophobicContact CB-CB 3.97Å; V19-A47 HydrophobicContact CG1-CB 3.62Å; V19-A47 WeakPolarHBondContact O-CB 3.33Å; C21-A47 HydrophobicContact CB-CB 3.76Å; A47-V50 PolarHBondContact O-N 3.22Å; A47-T51 VanDerWaalsContact O-CB 3.26Å; A47-T51 WeakPolarHBondContact O-CB 3.47Å; A47-T51 PolarHBondContact O-N 2.83Å; A47-T51 PolarHBondContact O-OG1 3.12Å
48E98.6Very high98.2Very high8 Ų858.5 Ų58.54%0.03729%0.292CS..Hα-helixtrans-63.3-47.5178-55.494.6128.400110.7H46 V50 T51 I52 V77 P81 C85 V89H46-E48 VanDerWaalsContact C-N 3.25Å; H46-E48 PolarHBondContact O-N 3.45Å; E48-V50 PolarHBondContact O-N 2.92Å; E48-T51 CarbonylContact O-C 3.53Å; E48-T51 PolarHBondContact O-N 2.62Å; E48-T51 VanDerWaalsContact O-N 3.12Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.92Å; E48-V77 HydrophobicContact CG-CG2 4.36Å; E48-P81 VanDerWaalsContact OE1-CA 3.32Å; E48-P81 WeakPolarHBondContact OE1-CA 3.28Å; E48-P81 WeakPolarHBondContact OE1-CB 3.36Å; E48-C85 HydrophobicContact CB-CB 3.99Å; E48-C85 HydrophobicContact CG-CB 4.02Å; E48-C85 WeakPolarHBondContact OE1-CB 3.29Å; E48-V89 HydrophobicContact CB-CG1 4.49Å
49M98.5Very high98.2Very high36 Ų3654.1 Ų54.118%0.17727%0.269CS..Hα-helixtrans-65.1-41.1179.3-62.6-53.9-61.900112.2T44 H46 T51 I52 R53 M84 A88T44-M49 VanDerWaalsContact O-CB 3.3Å; T44-M49 WeakPolarHBondContact O-CB 3.48Å; T44-M49 VanDerWaalsContact O-CG 3.27Å; T44-M49 WeakPolarHBondContact O-CG 3.39Å; H46-M49 HydrophobicContact CB-CG 4.44Å; H46-M49 PolarHBondContact O-N 3.47Å; H46-M49 VanDerWaalsContact O-N 3.08Å; M49-T51 VanDerWaalsContact C-N 3.27Å; M49-T51 PolarHBondContact O-N 3.08Å; M49-I52 HydrophobicContact SD-CD1 4.28Å; M49-R53 WeakPolarHBondContact O-CG 3.45Å; M49-R53 PolarHBondContact O-N 3.48Å; M49-R53 VanDerWaalsContact O-N 3.16Å; M49-M84 HydrophobicContact CG-CE 3.95Å; M49-A88 HydrophobicContact CE-CB 4.41Å; M49-A88 HydrophobicContact SD-CB 3.76Å
50V98.5Very high98.2Very high6 Ų658.7 Ų58.74%0.03627%0.27CS..Hα-helixtrans-61.2-41.1173.5172.20000110.1E36 Q45 H46 A47 E48 R53 R54E36-V50 HydrophobicContact CB-CG2 4.18Å; E36-V50 HydrophobicContact CG-CG2 4.29Å; Q45-V50 HydrophobicContact CB-CG2 4.31Å; H46-V50 WeakPolarHBondContact O-CG2 3.3Å; H46-V50 PolarHBondContact O-N 3.2Å; A47-V50 PolarHBondContact O-N 3.22Å; E48-V50 PolarHBondContact O-N 2.92Å; V50-R53 PolarHBondContact O-N 3.49Å; V50-R54 WeakPolarHBondContact O-CG 3.18Å; V50-R54 PolarHBondContact O-N 2.88Å
51T98.3Very high98.2Very high0 Ų061.7 Ų61.70%028%0.283CS..Hα-helixtrans-70.8-40.4-178.3-560000111.9C21 F23 A31 G33 A47 E48 M49 R54 L55C21-T51 WeakPolarHBondContact CB-OG1 3.26Å; F23-T51 HydrophobicContact CD2-CG2 3.49Å; F23-T51 VanDerWaalsContact CD2-CG2 3.49Å; F23-T51 HydrophobicContact CE2-CG2 3.97Å; F23-T51 HydrophobicContact CG-CG2 4.4Å; A31-T51 HydrophobicContact CB-CG2 4.22Å; G33-T51 WeakPolarHBondContact CA-OG1 3.35Å; G33-T51 PolarHBondContact N-OG1 2.99Å; A47-T51 VanDerWaalsContact O-CB 3.26Å; A47-T51 WeakPolarHBondContact O-CB 3.47Å; A47-T51 PolarHBondContact O-N 2.83Å; A47-T51 PolarHBondContact O-OG1 3.12Å; E48-T51 CarbonylContact O-C 3.53Å; E48-T51 PolarHBondContact O-N 2.62Å; E48-T51 VanDerWaalsContact O-N 3.12Å; M49-T51 VanDerWaalsContact C-N 3.27Å; M49-T51 PolarHBondContact O-N 3.08Å; T51-R54 PolarHBondContact O-N 2.81Å; T51-L55 WeakPolarHBondContact O-CB 3.39Å; T51-L55 PolarHBondContact O-N 3.04Å
52I97.5Very high98.1Very high23 Ų2354.5 Ų54.512%0.11826%0.262CS..Hα-helixtrans-59.2-47.1173.4-70.2166.2000110.8F23 E48 M49 R54 L55 E56 A88 V89F23-I52 HydrophobicContact CE2-CG1 3.94Å; F23-I52 HydrophobicContact CZ-CG1 4.17Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.92Å; M49-I52 HydrophobicContact SD-CD1 4.28Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 3.09Å; I52-L55 WeakPolarHBondContact O-CA 3.3Å; I52-L55 VanDerWaalsContact O-CB 3.31Å; I52-L55 WeakPolarHBondContact O-CB 3.29Å; I52-L55 PolarHBondContact O-N 2.98Å; I52-E56 WeakPolarHBondContact O-CG 3.38Å; I52-E56 PolarHBondContact O-N 3.47Å; I52-A88 HydrophobicContact CD1-CB 4.37Å; I52-V89 HydrophobicContact CD1-CG1 3.91Å
53R97.6Very high98Very high102 Ų10260.8 Ų60.839%0.38529%0.29SS..Hα-helixtrans-60.3-38.2179.1-68.6171.2-168.6-175.87.4111.9M49 V50 Q57M49-R53 WeakPolarHBondContact O-CG 3.45Å; M49-R53 PolarHBondContact O-N 3.48Å; M49-R53 VanDerWaalsContact O-N 3.16Å; V50-R53 PolarHBondContact O-N 3.49Å; R53-Q57 PolarHBondContact O-N 2.9Å
54R98.1Very high98Very high94 Ų9462 Ų6236%0.35528%0.281SS..Hα-helixtrans-70.1-36.8174.9-68.5170.7-175.4-170.25.9111.7A31 S32 E36 V50 T51 I52 Q57 W58A31-R54 HydrophobicContact CB-CB 4.22Å; S32-R54 WeakPolarHBondContact O-CD 3.23Å; S32-R54 PolarHBondContact O-NH1 3.1Å; E36-R54 IonicContact OE1-CZ 3.96Å; E36-R54 IonicContact OE1-NH2 2.8Å; E36-R54 PolarHBondContact OE1-NH2 3.22Å; V50-R54 WeakPolarHBondContact O-CG 3.18Å; V50-R54 PolarHBondContact O-N 2.88Å; T51-R54 PolarHBondContact O-N 2.81Å; I52-R54 VanDerWaalsContact C-N 3.26Å; I52-R54 PolarHBondContact O-N 3.09Å; R54-Q57 PolarHBondContact O-N 3.13Å; R54-W58 PolarHBondContact O-N 3.45Å
55L98Very high97.9Very high0 Ų065 Ų650%029%0.292CS..Hα-helixtrans-61.4-45.4173.2-17968000111.7F23 I30 A31 T51 I52 Q57 W58 C59 L66 I69 L70F23-L55 HydrophobicContact CB-CD1 4.36Å; F23-L55 HydrophobicContact CD1-CD2 4.34Å; F23-L55 HydrophobicContact CD2-CB 3.94Å; F23-L55 HydrophobicContact CD2-CD1 4.33Å; F23-L55 HydrophobicContact CD2-CD2 3.69Å; F23-L55 HydrophobicContact CD2-CG 4.2Å; F23-L55 HydrophobicContact CE1-CD2 4.27Å; F23-L55 HydrophobicContact CE2-CB 4.21Å; F23-L55 HydrophobicContact CE2-CD2 3.66Å; F23-L55 HydrophobicContact CE2-CG 4.49Å; F23-L55 HydrophobicContact CG-CD1 4.42Å; F23-L55 HydrophobicContact CG-CD2 4.05Å; F23-L55 HydrophobicContact CZ-CD2 3.95Å; I30-L55 HydrophobicContact CD1-CD1 3.3Å; I30-L55 HydrophobicContact CG1-CD1 3.85Å; A31-L55 HydrophobicContact CB-CB 3.81Å; A31-L55 HydrophobicContact CB-CD1 4.2Å; T51-L55 WeakPolarHBondContact O-CB 3.39Å; T51-L55 PolarHBondContact O-N 3.04Å; I52-L55 WeakPolarHBondContact O-CA 3.3Å; I52-L55 VanDerWaalsContact O-CB 3.31Å; I52-L55 WeakPolarHBondContact O-CB 3.29Å; I52-L55 PolarHBondContact O-N 2.98Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.48Å; L55-W58 PolarHBondContact O-N 3.27Å; L55-C59 PolarHBondContact O-N 2.97Å; L55-C59 PolarHBondContact O-SG 3.07Å; L55-L66 HydrophobicContact CD2-CD1 3.97Å; L55-L66 HydrophobicContact CG-CD1 4.02Å; L55-I69 HydrophobicContact CD1-CG2 3.83Å; L55-L70 HydrophobicContact CD2-CD2 3.54Å; L55-L70 HydrophobicContact CD2-CG 4.23Å
56E97.6Very high97.8Very high67 Ų6766.3 Ų66.331%0.31330%0.3SS..Hα-helixtrans-58.4-42.7175.3-69.4-177.2-170.100111.9I52 C59 R60 L66I52-E56 WeakPolarHBondContact O-CG 3.38Å; I52-E56 PolarHBondContact O-N 3.47Å; E56-C59 PolarHBondContact O-N 3.22Å; E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 3.37Å; E56-R60 PolarHBondContact O-NE 3.09Å; E56-R60 IonicContact OE2-NH2 2.97Å; E56-R60 PolarHBondContact OE2-NH2 2.75Å; E56-L66 HydrophobicContact CG-CD1 4.22Å; E56-L66 HydrophobicContact CG-CD2 3.79Å
57Q98Very high97.6Very high117 Ų11769.9 Ų69.955%0.54732%0.32SS..Hα-helixtrans-65.6-42.9177.1-172.7176.910.200111.3R53 R54 L55 C59 R60 N61R53-Q57 PolarHBondContact O-N 2.9Å; R54-Q57 PolarHBondContact O-N 3.13Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.48Å; Q57-C59 VanDerWaalsContact C-N 3.33Å; Q57-C59 PolarHBondContact O-N 3.08Å; Q57-R60 PolarHBondContact O-N 2.8Å; Q57-N61 WeakPolarHBondContact O-CB 3.43Å; Q57-N61 PolarHBondContact O-N 2.98Å; Q57-N61 PolarHBondContact O-ND2 2.73Å; Q57-N61 PolarHBondContact O-OD1 3.48Å
58W98.2Very high97.5Very high58 Ų5875.9 Ų75.922%0.2235%0.346CS..Hα-helixtrans-59.9-43.9175-177.796.7000111.4Y25 I30 R54 L55 R60 N61 N62 K64 I69Y25-W58 HydrophobicContact CD1-CH2 4.44Å; I30-W58 HydrophobicContact CB-CD2 3.96Å; I30-W58 HydrophobicContact CB-CE3 4.33Å; I30-W58 HydrophobicContact CB-CG 4.38Å; I30-W58 HydrophobicContact CB-CH2 4.41Å; I30-W58 HydrophobicContact CB-CZ2 4.03Å; I30-W58 HydrophobicContact CD1-CE3 4.19Å; I30-W58 HydrophobicContact CD1-CH2 4.47Å; I30-W58 HydrophobicContact CD1-CZ3 4.1Å; I30-W58 HydrophobicContact CG2-CD2 4.42Å; I30-W58 HydrophobicContact CG2-CH2 3.96Å; I30-W58 HydrophobicContact CG2-CZ2 3.55Å; R54-W58 PolarHBondContact O-N 3.45Å; L55-W58 PolarHBondContact O-N 3.27Å; W58-R60 PolarHBondContact O-N 2.74Å; W58-N61 PolarHBondContact O-N 3.36Å; W58-N62 VanDerWaalsContact CE2-ND2 3.31Å; W58-N62 HydrophobicContact CZ2-CB 4.44Å; W58-N62 PolarHBondContact NE1-ND2 3.11Å; W58-N62 WeakPolarHBondContact O-CB 3.27Å; W58-N62 PolarHBondContact O-N 3.07Å; W58-N62 PolarHBondContact O-ND2 2.88Å; W58-K64 HydrophobicContact CH2-CG 4.21Å; W58-K64 HydrophobicContact CZ3-CB 4.3Å; W58-K64 HydrophobicContact CZ3-CG 3.92Å; W58-I69 HydrophobicContact CZ3-CD1 4.03Å; W58-I69 HydrophobicContact CZ3-CG1 4.2Å
59C98Very high97.4Very high4 Ų475.7 Ų75.73%0.02735%0.346CS..Hα-helixtrans-61-45.8177.4-690000111.6L55 E56 Q57 N61 N62 Q63 K64L55-C59 PolarHBondContact O-N 2.97Å; L55-C59 PolarHBondContact O-SG 3.07Å; E56-C59 PolarHBondContact O-N 3.22Å; Q57-C59 VanDerWaalsContact C-N 3.33Å; Q57-C59 PolarHBondContact O-N 3.08Å; C59-N61 PolarHBondContact O-N 3.46Å; C59-N62 CarbonylContact O-C 3.57Å; C59-N62 PolarHBondContact O-N 3.48Å; C59-Q63 PolarHBondContact O-N 2.88Å; C59-K64 HydrophobicContact CB-CB 4.35Å; C59-K64 PolarHBondContact O-N 3.47Å
60R97.8Very high97.2Very high174 Ų17476.9 Ų76.966%0.65735%0.352SS*.Hα-helixtrans-59.3-44.5175.8-72.6179.3-122-177.1-3112.1E56 Q57 W58 N62 Q63E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 3.37Å; E56-R60 PolarHBondContact O-NE 3.09Å; E56-R60 IonicContact OE2-NH2 2.97Å; E56-R60 PolarHBondContact OE2-NH2 2.75Å; Q57-R60 PolarHBondContact O-N 2.8Å; W58-R60 PolarHBondContact O-N 2.74Å; R60-N62 VanDerWaalsContact C-N 3.33Å; R60-N62 PolarHBondContact O-N 2.8Å; R60-Q63 PolarHBondContact O-N 2.97Å
61N97.9Very high97.1Very high119 Ų11982.6 Ų82.664%0.63639%0.387SS*.Hα-helixtrans-68.2-32.5-179-68.3-11.8000112.8Q57 W58 C59Q57-N61 WeakPolarHBondContact O-CB 3.43Å; Q57-N61 PolarHBondContact O-N 2.98Å; Q57-N61 PolarHBondContact O-ND2 2.73Å; Q57-N61 PolarHBondContact O-OD1 3.48Å; W58-N61 PolarHBondContact O-N 3.36Å; C59-N61 PolarHBondContact O-N 3.46Å
62N97.2Very high97Very high80 Ų8088.1 Ų88.143%0.42841%0.413SS..THydrogen-bonded Turntrans-99.98.6-177.4-68.2-82.2000113.6W58 C59 R60 K64W58-N62 VanDerWaalsContact CE2-ND2 3.31Å; W58-N62 HydrophobicContact CZ2-CB 4.44Å; W58-N62 PolarHBondContact NE1-ND2 3.11Å; W58-N62 WeakPolarHBondContact O-CB 3.27Å; W58-N62 PolarHBondContact O-N 3.07Å; W58-N62 PolarHBondContact O-ND2 2.88Å; C59-N62 CarbonylContact O-C 3.57Å; C59-N62 PolarHBondContact O-N 3.48Å; R60-N62 VanDerWaalsContact C-N 3.33Å; R60-N62 PolarHBondContact O-N 2.8Å; N62-K64 HydrophobicContact CB-CG 4.06Å; N62-K64 PolarHBondContact O-N 3.42Å
63Q96.8Very high97Very high189 Ų18987.8 Ų87.888%0.88341%0.412SS*.THydrogen-bonded Turntrans52.740.8-178.1-58.8173.2-12.500112.5C59 R60C59-Q63 PolarHBondContact O-N 2.88Å; R60-Q63 PolarHBondContact O-N 2.97Å
64K96.5Very high96.9Very high98 Ų9888 Ų8843%0.42642%0.421SS..  trans-102146175.8-62.4-65.7-173.2172.60110.2W58 C59 N62 I69W58-K64 HydrophobicContact CH2-CG 4.21Å; W58-K64 HydrophobicContact CZ3-CB 4.3Å; W58-K64 HydrophobicContact CZ3-CG 3.92Å; C59-K64 HydrophobicContact CB-CB 4.35Å; C59-K64 PolarHBondContact O-N 3.47Å; N62-K64 HydrophobicContact CB-CG 4.06Å; N62-K64 PolarHBondContact O-N 3.42Å; K64-I69 HydrophobicContact CB-CD1 4.17Å; K64-I69 HydrophobicContact CB-CG1 3.86Å; K64-I69 HydrophobicContact CD-CD1 4.41Å; K64-I69 HydrophobicContact CG-CD1 4.25Å; K64-I69 HydrophobicContact CG-CG1 4.47Å
65E96.8Very high96.9Very high117 Ų11786.1 Ų86.155%0.54742%0.418SS..  trans-80.3125.7171.1-67.4-175.1142.800109.5D67 K68 I69E65-D67 VanDerWaalsContact C-N 3.33Å; E65-D67 PolarHBondContact O-N 2.87Å; E65-K68 HydrophobicContact CB-CB 4.46Å; E65-K68 HydrophobicContact CB-CD 4.27Å; E65-K68 HydrophobicContact CB-CG 4.35Å; E65-K68 PolarHBondContact O-N 2.93Å; E65-K68 WeakPolarHBondContact OE2-CD 3.5Å; E65-K68 WeakPolarHBondContact OE2-CE 3.49Å; E65-K68 IonicContact OE2-NZ 2.67Å; E65-K68 PolarHBondContact OE2-NZ 3.34Å; E65-I69 PolarHBondContact O-N 2.89Å
66L96.1Very high96.9Very high50 Ų5089.6 Ų89.626%0.26243%0.433SS..Hα-helixtrans-56.7-46.2-176.8-179.965.2000112L55 E56 K68 I69 L70L55-L66 HydrophobicContact CD2-CD1 3.97Å; L55-L66 HydrophobicContact CG-CD1 4.02Å; E56-L66 HydrophobicContact CG-CD1 4.22Å; E56-L66 HydrophobicContact CG-CD2 3.79Å; L66-K68 VanDerWaalsContact C-N 3.25Å; L66-K68 PolarHBondContact O-N 3.24Å; L66-I69 PolarHBondContact O-N 3.28Å; L66-I69 VanDerWaalsContact O-N 3.08Å; L66-L70 HydrophobicContact CD1-CD1 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.15Å; L66-L70 HydrophobicContact CD2-CD1 4.42Å; L66-L70 HydrophobicContact CG-CD1 3.86Å; L66-L70 HydrophobicContact CG-CG 4.24Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 2.64Å
67D95.4Very high96.9Very high126 Ų12687.9 Ų87.967%0.67443%0.427SS*.Hα-helixtrans-59.2-36.6-177.8-58.4-24.8000112.3E65 V71E65-D67 VanDerWaalsContact C-N 3.33Å; E65-D67 PolarHBondContact O-N 2.87Å; D67-V71 WeakPolarHBondContact O-CG2 3.36Å; D67-V71 PolarHBondContact O-N 3.3Å
68K96.1Very high96.9Very high126 Ų12684.1 Ų84.155%0.54841%0.412SS..Hα-helixtrans-69.7-44.1176.4-72.5179.9175.9152.70111.3E65 L66 V71 E72E65-K68 HydrophobicContact CB-CB 4.46Å; E65-K68 HydrophobicContact CB-CD 4.27Å; E65-K68 HydrophobicContact CB-CG 4.35Å; E65-K68 PolarHBondContact O-N 2.93Å; E65-K68 WeakPolarHBondContact OE2-CD 3.5Å; E65-K68 WeakPolarHBondContact OE2-CE 3.49Å; E65-K68 IonicContact OE2-NZ 2.67Å; E65-K68 PolarHBondContact OE2-NZ 3.34Å; L66-K68 VanDerWaalsContact C-N 3.25Å; L66-K68 PolarHBondContact O-N 3.24Å; K68-V71 PolarHBondContact O-N 3.42Å; K68-E72 WeakPolarHBondContact O-CG 3.39Å; K68-E72 PolarHBondContact O-N 3.35Å
69I96.8Very high96.9Very high4 Ų485.1 Ų85.12%0.02143%0.425CS..Hα-helixtrans-65.2-41.5-179.6-64.5-62.7000110.9Y25 I30 L55 W58 K64 E65 L66 V71 E72 C73Y25-I69 HydrophobicContact CD1-CD1 4.24Å; Y25-I69 HydrophobicContact CD2-CD1 4.5Å; Y25-I69 HydrophobicContact CE1-CD1 3.99Å; Y25-I69 HydrophobicContact CE2-CD1 4.28Å; Y25-I69 HydrophobicContact CG-CD1 4.49Å; I30-I69 HydrophobicContact CD1-CG2 3.48Å; I30-I69 VanDerWaalsContact CD1-CG2 3.48Å; L55-I69 HydrophobicContact CD1-CG2 3.83Å; W58-I69 HydrophobicContact CZ3-CD1 4.03Å; W58-I69 HydrophobicContact CZ3-CG1 4.2Å; K64-I69 HydrophobicContact CB-CD1 4.17Å; K64-I69 HydrophobicContact CB-CG1 3.86Å; K64-I69 HydrophobicContact CD-CD1 4.41Å; K64-I69 HydrophobicContact CG-CD1 4.25Å; K64-I69 HydrophobicContact CG-CG1 4.47Å; E65-I69 PolarHBondContact O-N 2.89Å; L66-I69 PolarHBondContact O-N 3.28Å; L66-I69 VanDerWaalsContact O-N 3.08Å; I69-V71 VanDerWaalsContact C-N 3.26Å; I69-V71 PolarHBondContact O-N 2.92Å; I69-E72 PolarHBondContact O-N 3.17Å; I69-C73 VanDerWaalsContact O-CB 3.24Å; I69-C73 WeakPolarHBondContact O-CB 3.28Å; I69-C73 PolarHBondContact O-N 2.86Å; I69-C73 PolarHBondContact O-SG 3.34Å
70L95.3Very high96.9Very high60 Ų6093.3 Ų93.331%0.31446%0.462SS..Hα-helixtrans-59.9-34178.1-76172.3000113.1F23 L55 L66F23-L70 HydrophobicContact CE1-CD2 4.25Å; F23-L70 HydrophobicContact CZ-CD2 4.07Å; L55-L70 HydrophobicContact CD2-CD2 3.54Å; L55-L70 HydrophobicContact CD2-CG 4.23Å; L66-L70 HydrophobicContact CD1-CD1 4.22Å; L66-L70 HydrophobicContact CD1-CG 4.15Å; L66-L70 HydrophobicContact CD2-CD1 4.42Å; L66-L70 HydrophobicContact CG-CD1 3.86Å; L66-L70 HydrophobicContact CG-CG 4.24Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 2.64Å
71V95.7Very high97Very high127 Ų12786.6 Ų86.677%0.7744%0.441SS*.Hα-helixtrans-77.6-28.5179.1174.10000112.4D67 K68 I69D67-V71 WeakPolarHBondContact O-CG2 3.36Å; D67-V71 PolarHBondContact O-N 3.3Å; K68-V71 PolarHBondContact O-N 3.42Å; I69-V71 VanDerWaalsContact C-N 3.26Å; I69-V71 PolarHBondContact O-N 2.92Å
72E96.1Very high97Very high115 Ų11583.3 Ų83.354%0.53743%0.427SS..Hα-helixtrans-100.3-3.2-174.7-63.7-179.7167.900113.5Y25 K68 I69Y25-E72 HydrophobicContact CD2-CB 3.92Å; Y25-E72 HydrophobicContact CE2-CB 3.59Å; Y25-E72 WeakPolarHBondContact CE2-OE2 3.49Å; Y25-E72 PolarHBondContact OH-OE2 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.39Å; K68-E72 PolarHBondContact O-N 3.35Å; I69-E72 PolarHBondContact O-N 3.17Å
73C96.2Very high97.1Very high16 Ų1687 Ų8711%0.10845%0.445CS..PPolyproline II helixtrans-103.3152.3-178.371.30000112.9F23 V24 I69F23-C73 HydrophobicContact CD1-CB 4.18Å; F23-C73 WeakPolarHBondContact CD1-SG 3.41Å; F23-C73 VanDerWaalsContact CE1-SG 3.56Å; V24-C73 CarbonylContact O-C 3.51Å; V24-C73 VanDerWaalsContact O-CA 3.24Å; V24-C73 WeakPolarHBondContact O-CA 2.91Å; V24-C73 WeakPolarHBondContact O-CB 3.29Å; I69-C73 VanDerWaalsContact O-CB 3.24Å; I69-C73 WeakPolarHBondContact O-CB 3.28Å; I69-C73 PolarHBondContact O-N 2.86Å; I69-C73 PolarHBondContact O-SG 3.34Å
74D96.9Very high97.1Very high106 Ų10681.5 Ų81.557%0.56742%0.421SS*.EExtended strand (participates in β ladder)trans-101.9135.5171.1-67.4-50.6000109.7F23 V24 F76F23-D74 WeakPolarHBondContact CA-O 3.4Å; V24-D74 PolarHBondContact N-O 3.43Å; V24-D74 PolarHBondContact O-N 3.35Å; D74-F76 HydrophobicContact CB-CD2 4.38Å; D74-F76 HydrophobicContact CB-CE2 3.66Å; D74-F76 HydrophobicContact CB-CZ 4.2Å
75L97Very high97.2Very high55 Ų5576.9 Ų76.929%0.28840%0.4SS..EExtended strand (participates in β ladder)trans-96.5122.8172.4-171.866.4000110.4C21 F23 V89C21-L75 WeakPolarHBondContact SG-CD1 3.48Å; F23-L75 HydrophobicContact CD1-CB 4.3Å; F23-L75 HydrophobicContact CD1-CD1 3.8Å; F23-L75 HydrophobicContact CD2-CD1 4.11Å; F23-L75 HydrophobicContact CE1-CB 4.06Å; F23-L75 HydrophobicContact CE1-CD1 3.65Å; F23-L75 HydrophobicContact CE1-CG 4.36Å; F23-L75 HydrophobicContact CE2-CD1 3.93Å; F23-L75 HydrophobicContact CG-CD1 4.04Å; F23-L75 HydrophobicContact CZ-CD1 3.71Å; L75-V89 HydrophobicContact CD2-CB 4.29Å; L75-V89 HydrophobicContact CD2-CG1 3.72Å
76F98Very high97.3Very high73 Ų7375.2 Ų75.232%0.3240%0.398SS..EExtended strand (participates in β ladder)trans-107.3126.6171.7-65.6-90.6000109.5M1 C21 A22 V24 D74M1-F76 HydrophobicContact SD-CB 4.12Å; M1-F76 HydrophobicContact SD-CD1 4.21Å; C21-F76 CarbonylContact C-O 3.53Å; C21-F76 VanDerWaalsContact CA-O 3.23Å; C21-F76 WeakPolarHBondContact CA-O 3.49Å; A22-F76 PolarHBondContact N-O 2.84Å; A22-F76 PolarHBondContact O-N 3.37Å; V24-F76 HydrophobicContact CB-CD2 4.23Å; V24-F76 HydrophobicContact CB-CE2 3.86Å; V24-F76 HydrophobicContact CG2-CD2 3.62Å; V24-F76 HydrophobicContact CG2-CE2 3.61Å; D74-F76 HydrophobicContact CB-CD2 4.38Å; D74-F76 HydrophobicContact CB-CE2 3.66Å; D74-F76 HydrophobicContact CB-CZ 4.2Å
77V98.4Very high97.3Very high32 Ų3277.1 Ų77.119%0.19442%0.422CS..EExtended strand (participates in β ladder)trans-138.1141.6-179.263.90000110.5M1 V19 G20 C21 E48 V79 P81M1-V77 WeakPolarHBondContact CE-O 3.37Å; V19-V77 HydrophobicContact CG1-CG2 3.84Å; G20-V77 WeakPolarHBondContact O-CA 3.49Å; C21-V77 HydrophobicContact CB-CG2 4.39Å; E48-V77 HydrophobicContact CG-CG2 4.36Å; V77-V79 VanDerWaalsContact C-N 3.32Å; V77-V79 VanDerWaalsContact CG1-O 3.22Å; V77-V79 WeakPolarHBondContact CG1-O 3.24Å; V77-V79 VanDerWaalsContact CG2-O 3.23Å; V77-V79 WeakPolarHBondContact CG2-O 3.35Å; V77-V79 PolarHBondContact O-N 2.84Å; V77-P81 HydrophobicContact CG1-CG 4.07Å
78T98.4Very high97.3Very high37 Ų3773.6 Ų73.623%0.22741%0.41CS..SBendtrans-75.2-18.5-176.2550000114.6M1 A4 A8 P18 V19 G20M1-T78 HydrophobicContact CE-CG2 3.99Å; A4-T78 HydrophobicContact CB-CG2 4.03Å; A4-T78 VanDerWaalsContact O-CG2 3.29Å; A4-T78 WeakPolarHBondContact O-CG2 3.35Å; A8-T78 HydrophobicContact CB-CG2 3.84Å; P18-T78 PolarHBondContact O-OG1 2.94Å; V19-T78 WeakPolarHBondContact CA-OG1 3.38Å; G20-T78 PolarHBondContact N-OG1 3.34Å; G20-T78 VanDerWaalsContact N-OG1 3.09Å; G20-T78 PolarHBondContact O-N 3.42Å; G20-T78 VanDerWaalsContact O-N 3.1Å
79V98.1Very high96.9Very high80 Ų8072 Ų7249%0.48541%0.411SS..SBendtrans-136.1148.1179-179.70000108.2V19 V77V19-V79 HydrophobicContact CG2-CB 4.37Å; V19-V79 HydrophobicContact CG2-CG2 4.2Å; V77-V79 VanDerWaalsContact C-N 3.32Å; V77-V79 VanDerWaalsContact CG1-O 3.22Å; V77-V79 WeakPolarHBondContact CG1-O 3.24Å; V77-V79 VanDerWaalsContact CG2-O 3.23Å; V77-V79 WeakPolarHBondContact CG2-O 3.35Å; V77-V79 PolarHBondContact O-N 2.84Å
80E98.2Very high96.9Very high175 Ų17575.5 Ų75.582%0.81843%0.43SS*.PPolyproline II helixtrans-52130.6173.5-175-178.7-178.300111.1
81P98.3Very high97Very high33 Ų3376.3 Ų76.321%0.21444%0.436CS..PPolyproline II helixtrans-58.4140.9179.1-26.335.3000112.7E48 V77 C85 T86E48-P81 VanDerWaalsContact OE1-CA 3.32Å; E48-P81 WeakPolarHBondContact OE1-CA 3.28Å; E48-P81 WeakPolarHBondContact OE1-CB 3.36Å; V77-P81 HydrophobicContact CG1-CG 4.07Å; P81-C85 HydrophobicContact CB-CB 4.05Å; P81-T86 PolarHBondContact O-OG1 3.42Å
82C98.6Very high97.1Very high50 Ų5073.4 Ų73.434%0.33842%0.418SS..PPolyproline II helixtrans-70.4170.1172.278.50000111.1M84 C85 T86C82-M84 VanDerWaalsContact C-N 3.26Å; C82-M84 PolarHBondContact O-N 3.12Å; C82-C85 PolarHBondContact O-N 3.33Å; C82-C85 VanDerWaalsContact O-N 3.08Å; C82-C85 VanDerWaalsContact SG-SG 3.63Å; C82-T86 WeakPolarHBondContact O-CB 3.49Å; C82-T86 PolarHBondContact O-N 3.2Å; C82-T86 PolarHBondContact O-OG1 3.24Å
83I98.5Very high97.1Very high157 Ų15771 Ų7181%0.80541%0.411SS*.Hα-helixtrans-55.3-40.7-179.1-64.4171.7000112.2A87I83-A87 WeakPolarHBondContact O-CB 3.44Å; I83-A87 PolarHBondContact O-N 3.05Å; I83-A87 VanDerWaalsContact O-N 3.14Å
84M98.5Very high97.2Very high75 Ų7574.4 Ų74.437%0.36943%0.43SS..Hα-helixtrans-62.3-48.5177.4179-171.477.100111.4T44 H46 M49 C82 A87 A88T44-M84 HydrophobicContact CG2-SD 4.49Å; H46-M84 HydrophobicContact CB-CE 4.44Å; M49-M84 HydrophobicContact CG-CE 3.95Å; C82-M84 VanDerWaalsContact C-N 3.26Å; C82-M84 PolarHBondContact O-N 3.12Å; M84-A87 PolarHBondContact O-N 2.87Å; M84-A88 PolarHBondContact O-N 3.12Å
85C98.2Very high97.2Very high0 Ų072.3 Ų72.30%042%0.42CS..Hα-helixtrans-69.9-41.2-176.8-62.80000110.6H46 E48 P81 C82 A87 A88 V89H46-C85 PolarHBondContact ND1-SG 3.15Å; E48-C85 HydrophobicContact CB-CB 3.99Å; E48-C85 HydrophobicContact CG-CB 4.02Å; E48-C85 WeakPolarHBondContact OE1-CB 3.29Å; P81-C85 HydrophobicContact CB-CB 4.05Å; C82-C85 PolarHBondContact O-N 3.33Å; C82-C85 VanDerWaalsContact O-N 3.08Å; C82-C85 VanDerWaalsContact SG-SG 3.63Å; C85-A87 PolarHBondContact O-N 3Å; C85-A88 PolarHBondContact O-N 3.07Å; C85-V89 WeakPolarHBondContact O-CG2 3.35Å; C85-V89 PolarHBondContact O-N 3.33Å
86T97.7Very high97.2Very high82 Ų8273.6 Ų73.650%0.50343%0.43SS..Hα-helixtrans-56.5-35.9174.6-55.60000112.5P81 C82 A88P81-T86 PolarHBondContact O-OG1 3.42Å; C82-T86 WeakPolarHBondContact O-CB 3.49Å; C82-T86 PolarHBondContact O-N 3.2Å; C82-T86 PolarHBondContact O-OG1 3.24Å; T86-A88 VanDerWaalsContact C-N 3.33Å
87A97.5Very high97.2Very high91 Ų9173.6 Ų73.675%0.75244%0.438SS*.Hα-helixtrans-79.5-16177.600000113.7I83 M84 C85I83-A87 WeakPolarHBondContact O-CB 3.44Å; I83-A87 PolarHBondContact O-N 3.05Å; I83-A87 VanDerWaalsContact O-N 3.14Å; M84-A87 PolarHBondContact O-N 2.87Å; C85-A87 PolarHBondContact O-N 3Å
88A94.8Very high97.1Very high52 Ų5277.1 Ų77.143%0.4346%0.459SS..Hα-helixtrans-96.6-28.3-177.900000113.2M49 I52 M84 C85 T86M49-A88 HydrophobicContact CE-CB 4.41Å; M49-A88 HydrophobicContact SD-CB 3.76Å; I52-A88 HydrophobicContact CD1-CB 4.37Å; M84-A88 PolarHBondContact O-N 3.12Å; C85-A88 PolarHBondContact O-N 3.07Å; T86-A88 VanDerWaalsContact C-N 3.33Å
89V87.8Confident96.9Very high93 Ų9380.7 Ų80.756%0.56448%0.48SS*.  trans-83.90177.1-63.30000112.6E48 I52 L75 C85E48-V89 HydrophobicContact CB-CG1 4.49Å; I52-V89 HydrophobicContact CD1-CG1 3.91Å; L75-V89 HydrophobicContact CD2-CB 4.29Å; L75-V89 HydrophobicContact CD2-CG1 3.72Å; C85-V89 WeakPolarHBondContact O-CG2 3.35Å; C85-V89 PolarHBondContact O-N 3.33Å

Retrieved 89 of 89 residues in 23.7 ms (Link to these results)

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