A0A077ZAU7_TRITR Loading...

U6 snRNA-associated Sm-like protein LSm4

Binds specifically to the 3'-terminal U-tract of U6 snRNA.

AlphaFold DB , UniProt , Accession A0A077ZAU7, Species TRITR (Trichuris trichiura, Whipworm), Gene LSM4, Length 124 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
1M66.9Low87.8Confident191 Ų19165.4 Ų65.494%0.94134%0.344SS*.  0134.10-174.6-178.6-75.400106.6L3M1-L3 HydrophobicContact SD-CD2 4.34Å
2V77.5Confident88.4Confident57 Ų5766.8 Ų66.835%0.34535%0.348SS..  trans-92.5128172.5-177.30000106.8L7 V80 I84V2-L7 HydrophobicContact CG1-CB 3.99Å; V2-V80 HydrophobicContact CB-CG1 4.27Å; V2-V80 HydrophobicContact CG1-CG1 3.72Å; V2-V80 HydrophobicContact CG2-CG1 3.5Å; V2-V80 VanDerWaalsContact CG2-CG1 3.5Å; V2-I84 HydrophobicContact CG2-CD1 3.6Å
3L87.2Confident89Confident101 Ų10169.2 Ų69.253%0.52936%0.361SS..  trans-90.5145.3171.2-60.5177.8000109.1M1 L5 S6 L7M1-L3 HydrophobicContact SD-CD2 4.34Å; L3-L5 PolarHBondContact O-N 2.91Å; L3-S6 WeakPolarHBondContact O-CA 3.24Å; L3-S6 VanDerWaalsContact O-CB 3.27Å; L3-S6 WeakPolarHBondContact O-CB 3.41Å; L3-S6 PolarHBondContact O-N 3.21Å; L3-L7 PolarHBondContact O-N 3.47Å
4P89.1Confident89.6Confident99 Ų9967.6 Ų67.664%0.64335%0.351SS*.Hα-helixtrans-54.2-44.7-177.1-29.435.8000114.7S6 L7 L8P4-S6 VanDerWaalsContact C-N 3.29Å; P4-S6 PolarHBondContact O-N 3.39Å; P4-L7 WeakPolarHBondContact O-CB 3.43Å; P4-L7 PolarHBondContact O-N 3.22Å; P4-L8 PolarHBondContact O-N 3.09Å; P4-L8 VanDerWaalsContact O-N 3.14Å
5L91.5Very high90.1Very high48 Ų4867.9 Ų67.925%0.25136%0.358SS..Hα-helixtrans-68.2-28.5175.6-71.4176.2000112.8L3 L8 R9 D34 M37L3-L5 PolarHBondContact O-N 2.91Å; L5-L8 HydrophobicContact CD2-CD1 4.35Å; L5-L8 PolarHBondContact O-N 2.85Å; L5-R9 WeakPolarHBondContact O-CG 3.27Å; L5-R9 PolarHBondContact O-N 2.84Å; L5-R9 VanDerWaalsContact O-N 3.15Å; L5-D34 WeakPolarHBondContact CD2-O 3.39Å; L5-M37 HydrophobicContact CD2-CG 3.92Å
6S88.4Confident90.5Very high35 Ų3564.2 Ų64.225%0.24534%0.339CS..Hα-helixtrans-66-41.9172.4-56.90000111L3 P4 L8 R9 T10L3-S6 WeakPolarHBondContact O-CA 3.24Å; L3-S6 VanDerWaalsContact O-CB 3.27Å; L3-S6 WeakPolarHBondContact O-CB 3.41Å; L3-S6 PolarHBondContact O-N 3.21Å; P4-S6 VanDerWaalsContact C-N 3.29Å; P4-S6 PolarHBondContact O-N 3.39Å; S6-L8 PolarHBondContact O-N 3.1Å; S6-R9 VanDerWaalsContact CA-NH2 3.33Å; S6-R9 PolarHBondContact O-N 2.64Å; S6-R9 PolarHBondContact OG-NH2 3.33Å; S6-T10 PolarHBondContact O-N 2.97Å; S6-T10 PolarHBondContact O-OG1 2.92Å
7L92.8Very high91Very high26 Ų2662 Ų6214%0.13633%0.327CS..Hα-helixtrans-58-46.8174.9177.466.2000111.5V2 L3 P4 R9 T10 A11 I72 V76 M77 V80V2-L7 HydrophobicContact CG1-CB 3.99Å; L3-L7 PolarHBondContact O-N 3.47Å; P4-L7 WeakPolarHBondContact O-CB 3.43Å; P4-L7 PolarHBondContact O-N 3.22Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 2.92Å; L7-T10 PolarHBondContact O-N 2.82Å; L7-A11 WeakPolarHBondContact O-CB 3.34Å; L7-A11 PolarHBondContact O-N 2.91Å; L7-I72 HydrophobicContact CD2-CD1 3.61Å; L7-I72 HydrophobicContact CG-CD1 4.01Å; L7-V76 HydrophobicContact CD1-CG1 3.85Å; L7-M77 HydrophobicContact CD1-SD 3.52Å; L7-M77 VanDerWaalsContact CD1-SD 3.52Å; L7-M77 HydrophobicContact CD2-SD 4.02Å; L7-M77 HydrophobicContact CG-SD 4.44Å; L7-V80 HydrophobicContact CD1-CG2 3.73Å
8L94Very high91.4Very high7 Ų758.6 Ų58.64%0.03731%0.309CS..Hα-helixtrans-66.6-29.6-180-66.9172.1000113.6P4 L5 S6 A11 Q12 M16 L30 C33 M70 I72P4-L8 PolarHBondContact O-N 3.09Å; P4-L8 VanDerWaalsContact O-N 3.14Å; L5-L8 HydrophobicContact CD2-CD1 4.35Å; L5-L8 PolarHBondContact O-N 2.85Å; S6-L8 PolarHBondContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 3.02Å; L8-Q12 PolarHBondContact O-N 3.5Å; L8-M16 HydrophobicContact CD2-CE 4.31Å; L8-L30 HydrophobicContact CB-CD2 4.42Å; L8-L30 HydrophobicContact CD2-CD2 4.49Å; L8-L30 WeakPolarHBondContact O-CD2 3.32Å; L8-C33 HydrophobicContact CB-CB 4.16Å; L8-C33 HydrophobicContact CD1-CB 4.32Å; L8-C33 VanDerWaalsContact CD1-SG 3.57Å; L8-M70 HydrophobicContact CD1-CE 3.51Å; L8-M70 HydrophobicContact CD1-SD 4.42Å; L8-M70 HydrophobicContact CD2-CE 3.87Å; L8-M70 HydrophobicContact CD2-SD 3.94Å; L8-M70 HydrophobicContact CG-CE 4.3Å; L8-I72 HydrophobicContact CD2-CD1 3.71Å; L8-I72 HydrophobicContact CD2-CG1 4.5Å
9R91.7Very high91.8Very high123 Ų12357.2 Ų57.246%0.46430%0.301SS..Hα-helixtrans-64.9-43.9172.8-75.2-172.3-63.7-92.63.6111.4L5 S6 L7 A11 Q12L5-R9 WeakPolarHBondContact O-CG 3.27Å; L5-R9 PolarHBondContact O-N 2.84Å; L5-R9 VanDerWaalsContact O-N 3.15Å; S6-R9 VanDerWaalsContact CA-NH2 3.33Å; S6-R9 PolarHBondContact O-N 2.64Å; S6-R9 PolarHBondContact OG-NH2 3.33Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 2.92Å; R9-A11 VanDerWaalsContact C-N 3.28Å; R9-A11 PolarHBondContact O-N 2.97Å; R9-Q12 VanDerWaalsContact O-CG 3.31Å; R9-Q12 WeakPolarHBondContact O-CG 3.41Å; R9-Q12 PolarHBondContact O-N 2.83Å
10T92.2Very high92.1Very high32 Ų3254.9 Ų54.920%0.19629%0.289CS..Hα-helixtrans-69.5-28.6175.1-46.20000111.7S6 L7 Q12 L79 V80 E83S6-T10 PolarHBondContact O-N 2.97Å; S6-T10 PolarHBondContact O-OG1 2.92Å; L7-T10 PolarHBondContact O-N 2.82Å; T10-Q12 PolarHBondContact O-N 2.85Å; T10-L79 HydrophobicContact CG2-CB 3.87Å; T10-V80 HydrophobicContact CG2-CG2 3.65Å; T10-E83 PolarHBondContact OG1-OE2 2.85Å
11A94.2Very high92.5Very high0 Ų059.2 Ų59.20%031%0.305CS..THydrogen-bonded Turntrans-72.1-1.1176.600000114.6L7 L8 R9 N13 H14 M16 L30 I72 V76L7-A11 WeakPolarHBondContact O-CB 3.34Å; L7-A11 PolarHBondContact O-N 2.91Å; L8-A11 PolarHBondContact O-N 3.02Å; R9-A11 VanDerWaalsContact C-N 3.28Å; R9-A11 PolarHBondContact O-N 2.97Å; A11-N13 PolarHBondContact O-N 2.81Å; A11-H14 VanDerWaalsContact O-CB 3.31Å; A11-H14 WeakPolarHBondContact O-CB 3.43Å; A11-H14 PolarHBondContact O-N 3.11Å; A11-M16 HydrophobicContact CB-CE 3.83Å; A11-L30 HydrophobicContact CB-CD2 4.04Å; A11-I72 HydrophobicContact CB-CG2 4.37Å; A11-V76 HydrophobicContact CB-CG1 3.63Å; A11-V76 HydrophobicContact CB-CG2 4.17Å
12Q95.5Very high93.9Very high83 Ų8354.2 Ų54.239%0.38828%0.282SS..THydrogen-bonded Turntrans-56.8141.4178.7-76.2-179.20.500111.1L8 R9 T10 H14 L30L8-Q12 PolarHBondContact O-N 3.5Å; R9-Q12 VanDerWaalsContact O-CG 3.31Å; R9-Q12 WeakPolarHBondContact O-CG 3.41Å; R9-Q12 PolarHBondContact O-N 2.83Å; T10-Q12 PolarHBondContact O-N 2.85Å; Q12-H14 PolarHBondContact O-N 2.97Å; Q12-H14 PolarHBondContact O-ND1 3.33Å; Q12-L30 HydrophobicContact CG-CD2 4.47Å
13N96Very high94.9Very high97 Ų9752.6 Ų52.652%0.51928%0.277SS..THydrogen-bonded Turntrans62.97.8-174.4-52.1-56.5000115.4A11 L30 R42A11-N13 PolarHBondContact O-N 2.81Å; N13-L30 WeakPolarHBondContact CA-O 3.49Å; N13-L30 PolarHBondContact N-O 3.48Å; N13-R42 PolarHBondContact OD1-NH2 2.88Å
14H96.9Very high95.5Very high48 Ų4850.3 Ų50.322%0.22226%0.263CS..SBendtrans-92.8147.7173.3-66.770.1000110.8A11 Q12 H29 L30 V76 L79A11-H14 VanDerWaalsContact O-CB 3.31Å; A11-H14 WeakPolarHBondContact O-CB 3.43Å; A11-H14 PolarHBondContact O-N 3.11Å; Q12-H14 PolarHBondContact O-N 2.97Å; Q12-H14 PolarHBondContact O-ND1 3.33Å; H14-H29 WeakPolarHBondContact O-CA 3.4Å; H14-L30 PolarHBondContact O-N 3.46Å; H14-V76 HydrophobicContact CB-CG2 3.79Å; H14-L79 WeakPolarHBondContact NE2-CD1 3.27Å
15P97.1Very high95.9Very high71 Ų7146.8 Ų46.846%0.46124%0.24SC..EExtended strand (participates in β ladder)trans-65.5141.6173.328.8-34.7000110.2G28 P73P15-G28 CarbonylContact C-O 3.54Å; P15-G28 WeakPolarHBondContact CA-O 3.33Å; P15-P73 HydrophobicContact CG-CG 4.22Å; P15-P73 WeakPolarHBondContact O-CD 3.32Å; P15-P73 WeakPolarHBondContact O-CG 3.49Å
16M97.7Very high96.3Very high9 Ų946.1 Ų46.14%0.04423%0.234CC..EExtended strand (participates in β ladder)trans-151157.8173.458.9177.757.300112L8 A11 N27 G28 L30 L41 M70 R71L8-M16 HydrophobicContact CD2-CE 4.31Å; A11-M16 HydrophobicContact CB-CE 3.83Å; M16-N27 WeakPolarHBondContact O-CA 3.29Å; M16-G28 PolarHBondContact N-O 2.52Å; M16-G28 PolarHBondContact O-N 2.73Å; M16-G28 VanDerWaalsContact O-N 3.1Å; M16-L30 HydrophobicContact CE-CB 3.49Å; M16-L30 VanDerWaalsContact CE-CB 3.49Å; M16-L30 HydrophobicContact CE-CD1 4.42Å; M16-L30 HydrophobicContact CE-CD2 3.57Å; M16-L30 HydrophobicContact CE-CG 4Å; M16-L30 HydrophobicContact CG-CB 4.35Å; M16-L30 HydrophobicContact SD-CB 3.77Å; M16-L30 HydrophobicContact SD-CD1 4.02Å; M16-L30 HydrophobicContact SD-CD2 4.22Å; M16-L30 HydrophobicContact SD-CG 4.21Å; M16-L41 HydrophobicContact CG-CD2 4.08Å; M16-L41 HydrophobicContact SD-CD2 4.25Å; M16-M70 HydrophobicContact SD-SD 4.31Å; M16-R71 WeakPolarHBondContact CA-O 3.26Å; M16-R71 VanDerWaalsContact CB-O 3.29Å; M16-R71 WeakPolarHBondContact CB-O 3.31Å
17L98.3Very high96.7Very high27 Ų2747.1 Ų47.114%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-103.2131.6170-176.4157000108.6E19 T25 Y26 N27 Y69 M70 R71L17-E19 HydrophobicContact CD2-CB 4.22Å; L17-T25 HydrophobicContact CD2-CG2 4.39Å; L17-Y26 CarbonylContact C-O 3.56Å; L17-Y26 WeakPolarHBondContact CA-O 3.35Å; L17-N27 VanDerWaalsContact CB-OD1 3.29Å; L17-N27 WeakPolarHBondContact CB-OD1 3.41Å; L17-N27 VanDerWaalsContact CD1-OD1 3.26Å; L17-N27 WeakPolarHBondContact CD1-OD1 3.48Å; L17-N27 VanDerWaalsContact CG-OD1 3.31Å; L17-N27 WeakPolarHBondContact CG-OD1 3.25Å; L17-Y69 HydrophobicContact CD2-CE2 4.43Å; L17-M70 CarbonylContact O-C 3.51Å; L17-M70 VanDerWaalsContact O-CA 3.22Å; L17-M70 WeakPolarHBondContact O-CA 3.24Å; L17-R71 HydrophobicContact CB-CB 4.09Å; L17-R71 HydrophobicContact CB-CG 4.29Å; L17-R71 HydrophobicContact CD2-CG 4.22Å; L17-R71 PolarHBondContact N-O 3.1Å; L17-R71 PolarHBondContact O-N 2.83Å
18V98.7Very high97Very high0 Ų046.2 Ų46.20%023%0.234CC..EExtended strand (participates in β ladder)trans-113.9119.1171-172.30000108.2L20 T25 Y26 L41 I62 V67 M70V18-L20 HydrophobicContact CG1-CD2 3.92Å; V18-T25 CarbonylContact O-C 3.59Å; V18-T25 VanDerWaalsContact O-CA 3.3Å; V18-T25 WeakPolarHBondContact O-CA 3.26Å; V18-Y26 PolarHBondContact N-O 2.83Å; V18-Y26 PolarHBondContact O-N 3.02Å; V18-L41 HydrophobicContact CG2-CD1 3.89Å; V18-I62 HydrophobicContact CB-CD1 4.43Å; V18-I62 HydrophobicContact CG1-CD1 4.37Å; V18-V67 HydrophobicContact CG1-CB 4.5Å; V18-V67 HydrophobicContact CG1-CG1 3.89Å; V18-V67 HydrophobicContact CG1-CG2 3.95Å; V18-M70 HydrophobicContact CB-CG 4.4Å; V18-M70 HydrophobicContact CG1-CG 4.12Å; V18-M70 HydrophobicContact CG2-CG 4.01Å; V18-M70 HydrophobicContact CG2-SD 4.37Å
19E98.7Very high97.2Very high32 Ų3249.3 Ų49.315%0.1525%0.248CC..EExtended strand (participates in β ladder)trans-97.7127.8170.4-174.5174.7126.200109.1L17 T25 K68 Y69L17-E19 HydrophobicContact CD2-CB 4.22Å; E19-T25 HydrophobicContact CB-CG2 4.23Å; E19-T25 HydrophobicContact CG-CG2 4.09Å; E19-K68 HydrophobicContact CG-CD 4.4Å; E19-K68 VanDerWaalsContact O-CB 3.32Å; E19-K68 WeakPolarHBondContact O-CB 3.3Å; E19-K68 PolarHBondContact O-N 3.23Å; E19-K68 WeakPolarHBondContact OE1-CD 3.44Å; E19-K68 IonicContact OE1-NZ 2.73Å; E19-K68 PolarHBondContact OE1-NZ 3.15Å; E19-Y69 HydrophobicContact CB-CD1 4.1Å; E19-Y69 HydrophobicContact CB-CD2 4.49Å; E19-Y69 HydrophobicContact CB-CE1 3.69Å; E19-Y69 HydrophobicContact CB-CE2 4.12Å; E19-Y69 HydrophobicContact CB-CG 4.48Å; E19-Y69 HydrophobicContact CG-CE1 3.97Å; E19-Y69 PolarHBondContact N-O 2.78Å; E19-Y69 PolarHBondContact O-N 3.3Å; E19-Y69 WeakPolarHBondContact OE1-CE1 3.34Å; E19-Y69 VanDerWaalsContact OE2-CE1 3.25Å; E19-Y69 WeakPolarHBondContact OE2-CE1 3.35Å; E19-Y69 PolarHBondContact OE2-OH 3.29Å
20L98.8Very high97.5Very high12 Ų1243.5 Ų43.56%0.06323%0.226CC..EExtended strand (participates in β ladder)trans-91.3161.8177.7-56.4-167.4000111.2V18 N22 G23 E24 Y26 I62 T66 V67V18-L20 HydrophobicContact CG1-CD2 3.92Å; L20-N22 VanDerWaalsContact CB-OD1 3.26Å; L20-N22 WeakPolarHBondContact CB-OD1 3.3Å; L20-N22 PolarHBondContact O-N 2.86Å; L20-G23 PolarHBondContact O-N 2.95Å; L20-E24 PolarHBondContact N-O 3.24Å; L20-Y26 HydrophobicContact CD1-CD2 3.95Å; L20-Y26 HydrophobicContact CD1-CE2 3.41Å; L20-Y26 VanDerWaalsContact CD1-CE2 3.41Å; L20-Y26 HydrophobicContact CG-CD2 4.01Å; L20-Y26 HydrophobicContact CG-CE2 3.93Å; L20-I62 HydrophobicContact CD1-CG2 4.43Å; L20-I62 HydrophobicContact CD2-CG2 3.52Å; L20-T66 WeakPolarHBondContact CA-O 3.43Å; L20-V67 HydrophobicContact CD2-CG2 4.19Å
21K98.8Very high97.8Very high146 Ų14643.4 Ų43.464%0.63523%0.229SC*.THydrogen-bonded Turntrans-62.9-23.9178.3-70.7173.2179.6173.90113.9G23 A65 T66 K68K21-G23 PolarHBondContact O-N 2.87Å; K21-A65 WeakPolarHBondContact CE-O 3.45Å; K21-A65 PolarHBondContact NZ-O 2.76Å; K21-T66 WeakPolarHBondContact CG-O 3.14Å; K21-T66 PolarHBondContact N-O 3.37Å; K21-K68 HydrophobicContact CG-CB 4.16Å
22N97.8Very high97.9Very high86 Ų8644 Ų4446%0.4624%0.235SC..THydrogen-bonded Turntrans-78.4-7.2174.168.6-7.9000112.9L20 E24 K49L20-N22 VanDerWaalsContact CB-OD1 3.26Å; L20-N22 WeakPolarHBondContact CB-OD1 3.3Å; L20-N22 PolarHBondContact O-N 2.86Å; N22-E24 VanDerWaalsContact ND2-CD 3.31Å; N22-E24 PolarHBondContact ND2-OE2 2.98Å; N22-E24 WeakPolarHBondContact OD1-CB 3.46Å; N22-E24 PolarHBondContact OD1-N 2.88Å; N22-K49 WeakPolarHBondContact O-CD 3.26Å
23G98.4Very high98Very high22 Ų2241.3 Ų41.323%0.22723%0.225CC..SBendtrans92.7-3.7-179.700000114.9L20 K21L20-G23 PolarHBondContact O-N 2.95Å; K21-G23 PolarHBondContact O-N 2.87Å
24E98.5Very high98Very high53 Ų5339.2 Ų39.225%0.24821%0.214CC..  trans-70.2148.3171-66.4176.9158.100110.8L20 N22 Y26 T47L20-E24 PolarHBondContact N-O 3.24Å; N22-E24 VanDerWaalsContact ND2-CD 3.31Å; N22-E24 PolarHBondContact ND2-OE2 2.98Å; N22-E24 WeakPolarHBondContact OD1-CB 3.46Å; N22-E24 PolarHBondContact OD1-N 2.88Å; E24-Y26 HydrophobicContact CB-CE2 3.87Å; E24-Y26 PolarHBondContact OE2-OH 2.85Å; E24-Y26 VanDerWaalsContact OE2-OH 3.11Å; E24-T47 WeakPolarHBondContact CA-O 3.29Å
25T98.8Very high97.9Very high25 Ų2542.8 Ų42.815%0.15323%0.234CC..EExtended strand (participates in β ladder)trans-120.3140.8174.969.60000110.9L17 V18 E19 C46 T47L17-T25 HydrophobicContact CD2-CG2 4.39Å; V18-T25 CarbonylContact O-C 3.59Å; V18-T25 VanDerWaalsContact O-CA 3.3Å; V18-T25 WeakPolarHBondContact O-CA 3.26Å; E19-T25 HydrophobicContact CB-CG2 4.23Å; E19-T25 HydrophobicContact CG-CG2 4.09Å; T25-C46 CarbonylContact O-C 3.55Å; T25-C46 VanDerWaalsContact O-CA 3.3Å; T25-C46 WeakPolarHBondContact O-CA 3.29Å; T25-T47 PolarHBondContact N-O 2.92Å; T25-T47 VanDerWaalsContact N-O 3.09Å; T25-T47 PolarHBondContact O-N 3.28Å; T25-T47 WeakPolarHBondContact OG1-CB 3.45Å
26Y98.8Very high97.9Very high34 Ų3448.8 Ų48.813%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-121.2118.9178.1-67.5-104000108.1L17 V18 L20 E24 V44 C46 V60 I62L17-Y26 CarbonylContact C-O 3.56Å; L17-Y26 WeakPolarHBondContact CA-O 3.35Å; V18-Y26 PolarHBondContact N-O 2.83Å; V18-Y26 PolarHBondContact O-N 3.02Å; L20-Y26 HydrophobicContact CD1-CD2 3.95Å; L20-Y26 HydrophobicContact CD1-CE2 3.41Å; L20-Y26 VanDerWaalsContact CD1-CE2 3.41Å; L20-Y26 HydrophobicContact CG-CD2 4.01Å; L20-Y26 HydrophobicContact CG-CE2 3.93Å; E24-Y26 HydrophobicContact CB-CE2 3.87Å; E24-Y26 PolarHBondContact OE2-OH 2.85Å; E24-Y26 VanDerWaalsContact OE2-OH 3.11Å; Y26-V44 HydrophobicContact CD1-CG1 3.92Å; Y26-V44 HydrophobicContact CG-CG1 4.46Å; Y26-C46 HydrophobicContact CD1-CB 3.87Å; Y26-C46 HydrophobicContact CE1-CB 3.68Å; Y26-V60 HydrophobicContact CD1-CG1 4.34Å; Y26-V60 HydrophobicContact CD1-CG2 4.14Å; Y26-V60 HydrophobicContact CE1-CG1 4.39Å; Y26-I62 HydrophobicContact CD1-CD1 4.18Å; Y26-I62 HydrophobicContact CD2-CD1 4.09Å; Y26-I62 HydrophobicContact CG-CD1 3.78Å
27N98.1Very high97.9Very high57 Ų5752.5 Ų52.531%0.30527%0.266SS..EExtended strand (participates in β ladder)trans-110.4119.7178.9-67.2-83.4000109M16 L17 V44 I45M16-N27 WeakPolarHBondContact O-CA 3.29Å; L17-N27 VanDerWaalsContact CB-OD1 3.29Å; L17-N27 WeakPolarHBondContact CB-OD1 3.41Å; L17-N27 VanDerWaalsContact CD1-OD1 3.26Å; L17-N27 WeakPolarHBondContact CD1-OD1 3.48Å; L17-N27 VanDerWaalsContact CG-OD1 3.31Å; L17-N27 WeakPolarHBondContact CG-OD1 3.25Å; N27-V44 CarbonylContact O-C 3.55Å; N27-V44 VanDerWaalsContact O-CA 3.24Å; N27-V44 WeakPolarHBondContact O-CA 3.35Å; N27-I45 PolarHBondContact N-O 3.16Å; N27-I45 PolarHBondContact O-N 2.94Å
28G98.5Very high97.8Very high7 Ų752.4 Ų52.47%0.07227%0.266CS..EExtended strand (participates in β ladder)trans-173.1-173.6-178.400000112.5P15 M16 R42P15-G28 CarbonylContact C-O 3.54Å; P15-G28 WeakPolarHBondContact CA-O 3.33Å; M16-G28 PolarHBondContact N-O 2.52Å; M16-G28 PolarHBondContact O-N 2.73Å; M16-G28 VanDerWaalsContact O-N 3.1Å; G28-R42 WeakPolarHBondContact CA-O 3.46Å
29H98.4Very high97.8Very high72 Ų7252.4 Ų52.433%0.33327%0.266SS..EExtended strand (participates in β ladder)trans-91.8130.5179-63.682.5000110.7H14 A31 L41 R42H14-H29 WeakPolarHBondContact O-CA 3.4Å; H29-A31 PolarHBondContact O-N 3.18Å; H29-A31 VanDerWaalsContact O-N 3.13Å; H29-L41 CarbonylContact O-C 3.56Å; H29-L41 VanDerWaalsContact O-CA 3.26Å; H29-L41 WeakPolarHBondContact O-CA 3.22Å; H29-R42 PolarHBondContact N-O 2.65Å; H29-R42 PolarHBondContact O-N 3.06Å
30L98.4Very high97.8Very high0 Ų055.2 Ų55.20%028%0.279CS..EExtended strand (participates in β ladder)trans-65.7114.6176.2-178.865.4000111L8 A11 Q12 N13 H14 M16 G32 C33 I39 L41L8-L30 HydrophobicContact CB-CD2 4.42Å; L8-L30 HydrophobicContact CD2-CD2 4.49Å; L8-L30 WeakPolarHBondContact O-CD2 3.32Å; A11-L30 HydrophobicContact CB-CD2 4.04Å; Q12-L30 HydrophobicContact CG-CD2 4.47Å; N13-L30 WeakPolarHBondContact CA-O 3.49Å; N13-L30 PolarHBondContact N-O 3.48Å; H14-L30 PolarHBondContact O-N 3.46Å; M16-L30 HydrophobicContact CE-CB 3.49Å; M16-L30 VanDerWaalsContact CE-CB 3.49Å; M16-L30 HydrophobicContact CE-CD1 4.42Å; M16-L30 HydrophobicContact CE-CD2 3.57Å; M16-L30 HydrophobicContact CE-CG 4Å; M16-L30 HydrophobicContact CG-CB 4.35Å; M16-L30 HydrophobicContact SD-CB 3.77Å; M16-L30 HydrophobicContact SD-CD1 4.02Å; M16-L30 HydrophobicContact SD-CD2 4.22Å; M16-L30 HydrophobicContact SD-CG 4.21Å; L30-G32 VanDerWaalsContact CD1-O 3.29Å; L30-G32 WeakPolarHBondContact CD1-O 3.47Å; L30-C33 HydrophobicContact CD1-CB 4.49Å; L30-I39 HydrophobicContact CD1-CG2 3.57Å; L30-L41 HydrophobicContact CB-CD2 4.42Å; L30-L41 HydrophobicContact CD1-CD2 4.17Å
31A98.2Very high97.8Very high30 Ų3054.7 Ų54.725%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-83.2-37.4170.700000111.5H29 H40 R42H29-A31 PolarHBondContact O-N 3.18Å; H29-A31 VanDerWaalsContact O-N 3.13Å; A31-H40 HydrophobicContact CB-CB 3.83Å; A31-H40 WeakPolarHBondContact CB-O 3.09Å; A31-H40 PolarHBondContact N-O 3.4Å; A31-R42 HydrophobicContact CB-CG 4.08Å; A31-R42 VanDerWaalsContact CB-NH1 3.31Å
32G96.6Very high97.8Very high13 Ų1351.4 Ų51.413%0.13426%0.26CS..EExtended strand (participates in β ladder)trans-178.5159.9-178.600000112.6L30 H40L30-G32 VanDerWaalsContact CD1-O 3.29Å; L30-G32 WeakPolarHBondContact CD1-O 3.47Å; G32-H40 PolarHBondContact N-O 2.88Å; G32-H40 PolarHBondContact O-N 2.94Å
33C97.1Very high97.8Very high26 Ų2652.8 Ų52.818%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-140.4129.3176.3176.40000108.1L8 L30 N38 I39L8-C33 HydrophobicContact CB-CB 4.16Å; L8-C33 HydrophobicContact CD1-CB 4.32Å; L8-C33 VanDerWaalsContact CD1-SG 3.57Å; L30-C33 HydrophobicContact CD1-CB 4.49Å; C33-N38 WeakPolarHBondContact CA-O 3.44Å; C33-I39 HydrophobicContact CB-CD1 3.78Å; C33-I39 WeakPolarHBondContact SG-CD1 3.43Å
34D96Very high97.9Very high53 Ų5351.8 Ų51.828%0.28326%0.257SS..  trans-91.3-177.417574.413.7000112.5L5 W36 M37 N38L5-D34 WeakPolarHBondContact CD2-O 3.39Å; D34-W36 PolarHBondContact O-N 3.01Å; D34-W36 VanDerWaalsContact OD1-CA 3.32Å; D34-W36 WeakPolarHBondContact OD1-CA 3.4Å; D34-W36 WeakPolarHBondContact OD1-CB 3.49Å; D34-W36 PolarHBondContact OD1-N 2.74Å; D34-M37 PolarHBondContact O-N 3.13Å; D34-M37 VanDerWaalsContact O-N 3.12Å; D34-M37 PolarHBondContact OD1-N 2.89Å; D34-N38 PolarHBondContact N-O 3.08Å; D34-N38 PolarHBondContact OD1-N 3.05Å; D34-N38 WeakPolarHBondContact OD2-CB 3.47Å; D34-N38 PolarHBondContact OD2-ND2 2.77Å
35N95Very high97.9Very high123 Ų12352.2 Ų52.266%0.65826%0.26SS*.THydrogen-bonded Turntrans-70.1-17.1-179.9-69.7-19.9000113.9M37N35-M37 VanDerWaalsContact C-N 3.3Å
36W96.7Very high97.9Very high197 Ų19751.2 Ų51.275%0.74625%0.254SS*.THydrogen-bonded Turntrans-92.67.9173.6-67-85000112.2D34 N38D34-W36 PolarHBondContact O-N 3.01Å; D34-W36 VanDerWaalsContact OD1-CA 3.32Å; D34-W36 WeakPolarHBondContact OD1-CA 3.4Å; D34-W36 WeakPolarHBondContact OD1-CB 3.49Å; D34-W36 PolarHBondContact OD1-N 2.74Å; W36-N38 PolarHBondContact O-N 2.78Å
37M96.7Very high97.9Very high87 Ų8750.5 Ų50.543%0.42925%0.253SS..  trans59.425.3-173.7-58.9-175-66.300113.4L5 D34 N35 I39 G64L5-M37 HydrophobicContact CD2-CG 3.92Å; D34-M37 PolarHBondContact O-N 3.13Å; D34-M37 VanDerWaalsContact O-N 3.12Å; D34-M37 PolarHBondContact OD1-N 2.89Å; N35-M37 VanDerWaalsContact C-N 3.3Å; M37-I39 WeakPolarHBondContact O-CD1 2.98Å; M37-I39 WeakPolarHBondContact O-CG1 3.3Å; M37-I39 PolarHBondContact O-N 2.81Å; M37-G64 WeakPolarHBondContact O-CA 3.4Å
38N97.8Very high97.9Very high26 Ų2648 Ų4814%0.13924%0.241CC..  trans-67.5129.9166.2-56.9-48.1000108.3C33 D34 W36 F61 I62 R63 G64C33-N38 WeakPolarHBondContact CA-O 3.44Å; D34-N38 PolarHBondContact N-O 3.08Å; D34-N38 PolarHBondContact OD1-N 3.05Å; D34-N38 WeakPolarHBondContact OD2-CB 3.47Å; D34-N38 PolarHBondContact OD2-ND2 2.77Å; W36-N38 PolarHBondContact O-N 2.78Å; N38-F61 HydrophobicContact CB-CE2 3.67Å; N38-F61 HydrophobicContact CB-CZ 3.61Å; N38-I62 CarbonylContact C-O 3.52Å; N38-I62 VanDerWaalsContact CA-O 3.31Å; N38-I62 WeakPolarHBondContact CA-O 3.24Å; N38-R63 WeakPolarHBondContact OD1-CA 3.41Å; N38-G64 PolarHBondContact OD1-N 2.86Å
39I98.3Very high97.8Very high0 Ų055 Ų550%027%0.269CS..EExtended strand (participates in β ladder)trans-112130.8-171.1-51-56.6000109.1L30 C33 M37 L41 F61 I62 V67 M70L30-I39 HydrophobicContact CD1-CG2 3.57Å; C33-I39 HydrophobicContact CB-CD1 3.78Å; C33-I39 WeakPolarHBondContact SG-CD1 3.43Å; M37-I39 WeakPolarHBondContact O-CD1 2.98Å; M37-I39 WeakPolarHBondContact O-CG1 3.3Å; M37-I39 PolarHBondContact O-N 2.81Å; I39-L41 HydrophobicContact CG2-CD2 3.56Å; I39-L41 HydrophobicContact CG2-CG 3.79Å; I39-F61 WeakPolarHBondContact O-CA 3.4Å; I39-I62 HydrophobicContact CB-CB 4.35Å; I39-I62 PolarHBondContact N-O 3.38Å; I39-I62 PolarHBondContact O-N 3.33Å; I39-V67 HydrophobicContact CG1-CG2 4.48Å; I39-M70 HydrophobicContact CD1-CE 4.39Å; I39-M70 HydrophobicContact CD1-SD 4.08Å; I39-M70 HydrophobicContact CG1-SD 4.33Å
40H98.6Very high97.7Very high90 Ų9057.4 Ų57.442%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-102.8124.7164.7-66.3-98000108.4A31 G32 F61A31-H40 HydrophobicContact CB-CB 3.83Å; A31-H40 WeakPolarHBondContact CB-O 3.09Å; A31-H40 PolarHBondContact N-O 3.4Å; G32-H40 PolarHBondContact N-O 2.88Å; G32-H40 PolarHBondContact O-N 2.94Å; H40-F61 AromaticContact CD2-CD2 3.79Å; H40-F61 AromaticContact CD2-CE2 3.9Å; H40-F61 AromaticContact CE1-CD2 3.2Å; H40-F61 WeakPolarHBondContact CE1-CD2 3.27Å; H40-F61 AromaticContact CE1-CE2 3.57Å; H40-F61 AromaticContact CG-CD2 3.92Å; H40-F61 AromaticContact ND1-CD2 3.56Å; H40-F61 AromaticContact NE2-CD2 3.34Å; H40-F61 VanDerWaalsContact NE2-CD2 3.34Å; H40-F61 WeakPolarHBondContact NE2-CD2 3.34Å; H40-F61 AromaticContact NE2-CE2 3.27Å; H40-F61 VanDerWaalsContact NE2-CE2 3.27Å; H40-F61 WeakPolarHBondContact NE2-CE2 3.2Å
41L98.7Very high97.6Very high1 Ų159.3 Ų59.31%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-120.1148.4174.7-59.2178.4000110.4M16 V18 H29 L30 I39 V44 E59 V60 I62M16-L41 HydrophobicContact CG-CD2 4.08Å; M16-L41 HydrophobicContact SD-CD2 4.25Å; V18-L41 HydrophobicContact CG2-CD1 3.89Å; H29-L41 CarbonylContact O-C 3.56Å; H29-L41 VanDerWaalsContact O-CA 3.26Å; H29-L41 WeakPolarHBondContact O-CA 3.22Å; L30-L41 HydrophobicContact CB-CD2 4.42Å; L30-L41 HydrophobicContact CD1-CD2 4.17Å; I39-L41 HydrophobicContact CG2-CD2 3.56Å; I39-L41 HydrophobicContact CG2-CG 3.79Å; L41-V44 HydrophobicContact CB-CG2 3.49Å; L41-V44 VanDerWaalsContact CB-CG2 3.49Å; L41-E59 VanDerWaalsContact O-CA 3.3Å; L41-E59 WeakPolarHBondContact O-CA 2.98Å; L41-V60 HydrophobicContact CB-CG2 3.76Å; L41-V60 HydrophobicContact CD1-CG2 4.2Å; L41-V60 HydrophobicContact CG-CG2 4.29Å; L41-V60 PolarHBondContact N-O 3.18Å; L41-V60 PolarHBondContact O-N 3.44Å; L41-I62 HydrophobicContact CD1-CD1 3.99Å
42R98.7Very high97.5Very high77 Ų7762.7 Ų62.729%0.29132%0.318SS..EExtended strand (participates in β ladder)trans-115.8155.6172-58.6-172-58.3-95.5-4.7111.8N13 G28 H29 A31 P58 E59N13-R42 PolarHBondContact OD1-NH2 2.88Å; G28-R42 WeakPolarHBondContact CA-O 3.46Å; H29-R42 PolarHBondContact N-O 2.65Å; H29-R42 PolarHBondContact O-N 3.06Å; A31-R42 HydrophobicContact CB-CG 4.08Å; A31-R42 VanDerWaalsContact CB-NH1 3.31Å; R42-P58 CarbonylContact C-O 3.56Å; R42-P58 WeakPolarHBondContact CA-O 3.31Å; R42-E59 HydrophobicContact CG-CG 4.17Å
43D98.5Very high97.6Very high115 Ų11568.5 Ų68.562%0.61534%0.335SS*.EExtended strand (participates in β ladder)trans52.558.6177.3-57.9-52.6000112.1P58D43-P58 PolarHBondContact N-O 3.38Å
44V98.8Very high97.6Very high2 Ų273.4 Ų73.41%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-98.6138.3-163.1-173.20000112.7Y26 N27 L41 R56 M57 V60Y26-V44 HydrophobicContact CD1-CG1 3.92Å; Y26-V44 HydrophobicContact CG-CG1 4.46Å; N27-V44 CarbonylContact O-C 3.55Å; N27-V44 VanDerWaalsContact O-CA 3.24Å; N27-V44 WeakPolarHBondContact O-CA 3.35Å; L41-V44 HydrophobicContact CB-CG2 3.49Å; L41-V44 VanDerWaalsContact CB-CG2 3.49Å; V44-R56 CarbonylContact O-C 3.53Å; V44-R56 WeakPolarHBondContact O-CA 3.38Å; V44-M57 PolarHBondContact N-O 3.33Å; V44-M57 PolarHBondContact O-N 3.49Å; V44-V60 HydrophobicContact CB-CG1 4.28Å; V44-V60 HydrophobicContact CB-CG2 4.27Å; V44-V60 HydrophobicContact CG1-CG1 4.34Å; V44-V60 HydrophobicContact CG1-CG2 4.05Å; V44-V60 HydrophobicContact CG2-CG1 4.45Å; V44-V60 HydrophobicContact CG2-CG2 3.79Å
45I98.7Very high97.7Very high62 Ų6275.9 Ų75.932%0.31836%0.359SS..EExtended strand (participates in β ladder)trans-109112.5163.3-60174.3000108.2N27 F54 W55 R56N27-I45 PolarHBondContact N-O 3.16Å; N27-I45 PolarHBondContact O-N 2.94Å; I45-F54 HydrophobicContact CG2-CB 4.41Å; I45-F54 HydrophobicContact CG2-CD1 4.01Å; I45-W55 CarbonylContact C-O 3.46Å; I45-W55 WeakPolarHBondContact CA-O 3.31Å; I45-R56 HydrophobicContact CG1-CG 4.06Å
46C98.5Very high97.9Very high4 Ų480.4 Ų80.43%0.02737%0.367CS..EExtended strand (participates in β ladder)trans-84.6135167.6177.40000109.3T25 Y26 F54 W55T25-C46 CarbonylContact O-C 3.55Å; T25-C46 VanDerWaalsContact O-CA 3.3Å; T25-C46 WeakPolarHBondContact O-CA 3.29Å; Y26-C46 HydrophobicContact CD1-CB 3.87Å; Y26-C46 HydrophobicContact CE1-CB 3.68Å; C46-F54 CarbonylContact O-C 3.58Å; C46-F54 VanDerWaalsContact O-CA 3.24Å; C46-F54 WeakPolarHBondContact O-CA 3.41Å; C46-W55 HydrophobicContact CB-CB 4.4Å; C46-W55 HydrophobicContact CB-CE3 4.3Å; C46-W55 PolarHBondContact N-O 3.14Å; C46-W55 PolarHBondContact O-N 2.9Å
47T98.7Very high98Very high18 Ų1874.9 Ų74.911%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-117.3131.6173.6-51.70000109.1E24 T25 R53 F54E24-T47 WeakPolarHBondContact CA-O 3.29Å; T25-T47 PolarHBondContact N-O 2.92Å; T25-T47 VanDerWaalsContact N-O 3.09Å; T25-T47 PolarHBondContact O-N 3.28Å; T25-T47 WeakPolarHBondContact OG1-CB 3.45Å; T47-R53 WeakPolarHBondContact CA-O 3.33Å; T47-F54 HydrophobicContact CG2-CD1 3.96Å; T47-F54 HydrophobicContact CG2-CE1 3.42Å; T47-F54 VanDerWaalsContact CG2-CE1 3.42Å; T47-F54 HydrophobicContact CG2-CZ 3.82Å; T47-F54 WeakPolarHBondContact OG1-CD1 3.39Å; T47-F54 VanDerWaalsContact OG1-CE1 3.27Å; T47-F54 WeakPolarHBondContact OG1-CE1 3.4Å
48S98.3Very high98.1Very high6 Ų675.7 Ų75.74%0.04236%0.363CS..  trans-58.7158.3175.162.50000111.5D50 G51 D52 R53S48-D50 PolarHBondContact O-N 2.78Å; S48-G51 PolarHBondContact O-N 3.34Å; S48-G51 PolarHBondContact OG-N 3.25Å; S48-D52 PolarHBondContact OG-N 3.21Å; S48-D52 PolarHBondContact OG-OD1 3.32Å; S48-R53 PolarHBondContact N-O 3.2Å; S48-R53 PolarHBondContact OG-N 2.94Å; S48-R53 VanDerWaalsContact OG-N 3.1Å
49K97.7Very high98.1Very high153 Ų15380.7 Ų80.767%0.66539%0.385SS*.THydrogen-bonded Turntrans-52.8-39.2174.6178.9-173.2178.3-171.80112.9N22 G51N22-K49 WeakPolarHBondContact O-CD 3.26Å; K49-G51 VanDerWaalsContact C-N 3.26Å; K49-G51 PolarHBondContact O-N 3.04Å
50D96.6Very high98.1Very high123 Ų12381.4 Ų81.466%0.65839%0.389SS*.THydrogen-bonded Turntrans-81.4-6.5-178.2-54.5-49.4000112.5S48 D52S48-D50 PolarHBondContact O-N 2.78Å; D50-D52 VanDerWaalsContact C-N 3.26Å; D50-D52 PolarHBondContact O-N 3.39Å
51G95.6Very high98.1Very high39 Ų3982.8 Ų82.840%0.40239%0.394SS..SBendtrans76.48177.800000114.9S48 K49 F54S48-G51 PolarHBondContact O-N 3.34Å; S48-G51 PolarHBondContact OG-N 3.25Å; K49-G51 VanDerWaalsContact C-N 3.26Å; K49-G51 PolarHBondContact O-N 3.04Å; G51-F54 WeakPolarHBondContact O-CE2 3.48Å; G51-F54 WeakPolarHBondContact O-CZ 2.91Å
52D96.3Very high98.1Very high102 Ų10283.1 Ų83.155%0.54540%0.396SS..  trans-98.2-18.1-170.769.4-23.2000114.1S48 D50S48-D52 PolarHBondContact OG-N 3.21Å; S48-D52 PolarHBondContact OG-OD1 3.32Å; D50-D52 VanDerWaalsContact C-N 3.26Å; D50-D52 PolarHBondContact O-N 3.39Å
53R97.8Very high98.1Very high134 Ų13487.6 Ų87.651%0.50641%0.413SS..  trans-127.3138-176-68.1178.6-71.41660.2110.8T47 S48 W55T47-R53 WeakPolarHBondContact CA-O 3.33Å; S48-R53 PolarHBondContact N-O 3.2Å; S48-R53 PolarHBondContact OG-N 2.94Å; S48-R53 VanDerWaalsContact OG-N 3.1Å; R53-W55 HydrophobicContact CB-CH2 3.35Å; R53-W55 HydrophobicContact CB-CZ2 3.75Å; R53-W55 HydrophobicContact CB-CZ3 3.8Å; R53-W55 HydrophobicContact CG-CH2 4.31Å; R53-W55 HydrophobicContact CG-CZ2 4.46Å
54F98.1Very high98.1Very high129 Ų12982.3 Ų82.357%0.56639%0.386SS*.EExtended strand (participates in β ladder)trans-130.8135.7-176.7-60.1-94.8000110.4I45 C46 T47 G51I45-F54 HydrophobicContact CG2-CB 4.41Å; I45-F54 HydrophobicContact CG2-CD1 4.01Å; C46-F54 CarbonylContact O-C 3.58Å; C46-F54 VanDerWaalsContact O-CA 3.24Å; C46-F54 WeakPolarHBondContact O-CA 3.41Å; T47-F54 HydrophobicContact CG2-CD1 3.96Å; T47-F54 HydrophobicContact CG2-CE1 3.42Å; T47-F54 VanDerWaalsContact CG2-CE1 3.42Å; T47-F54 HydrophobicContact CG2-CZ 3.82Å; T47-F54 WeakPolarHBondContact OG1-CD1 3.39Å; T47-F54 VanDerWaalsContact OG1-CE1 3.27Å; T47-F54 WeakPolarHBondContact OG1-CE1 3.4Å; G51-F54 WeakPolarHBondContact O-CE2 3.48Å; G51-F54 WeakPolarHBondContact O-CZ 2.91Å
55W98.5Very high98.1Very high105 Ų10585.3 Ų85.340%0.39841%0.411SS..EExtended strand (participates in β ladder)trans-126.6130.7175.8-59.8-91.9000110.2I45 C46 R53I45-W55 CarbonylContact C-O 3.46Å; I45-W55 WeakPolarHBondContact CA-O 3.31Å; C46-W55 HydrophobicContact CB-CB 4.4Å; C46-W55 HydrophobicContact CB-CE3 4.3Å; C46-W55 PolarHBondContact N-O 3.14Å; C46-W55 PolarHBondContact O-N 2.9Å; R53-W55 HydrophobicContact CB-CH2 3.35Å; R53-W55 HydrophobicContact CB-CZ2 3.75Å; R53-W55 HydrophobicContact CB-CZ3 3.8Å; R53-W55 HydrophobicContact CG-CH2 4.31Å; R53-W55 HydrophobicContact CG-CZ2 4.46Å
56R98.5Very high98.1Very high219 Ų21984.9 Ų84.983%0.82641%0.411SS*.EExtended strand (participates in β ladder)trans-91.9132.1171.2-76178.8175.4170.1-0.4109.6V44 I45V44-R56 CarbonylContact O-C 3.53Å; V44-R56 WeakPolarHBondContact O-CA 3.38Å; I45-R56 HydrophobicContact CG1-CG 4.06Å
57M98.4Very high98.1Very high80 Ų8085.7 Ų85.739%0.39442%0.416SS..EExtended strand (participates in β ladder)trans-137.1134.6-179.6-60.6176.674.500109.1V44 E59 V60V44-M57 PolarHBondContact N-O 3.33Å; V44-M57 PolarHBondContact O-N 3.49Å; M57-E59 VanDerWaalsContact C-N 3.32Å; M57-E59 PolarHBondContact O-N 3.5Å; M57-V60 HydrophobicContact CB-CG1 3.88Å; M57-V60 HydrophobicContact CE-CG1 3.69Å; M57-V60 HydrophobicContact CG-CG1 4.35Å; M57-V60 HydrophobicContact SD-CG1 3.57Å; M57-V60 VanDerWaalsContact SD-CG1 3.57Å
58P98.5Very high98.1Very high105 Ų10590.8 Ų90.868%0.68244%0.437SS*.EExtended strand (participates in β ladder)trans-64.4-40.1179.625-33000111.5R42 D43R42-P58 CarbonylContact C-O 3.56Å; R42-P58 WeakPolarHBondContact CA-O 3.31Å; D43-P58 PolarHBondContact N-O 3.38Å
59E98.5Very high98.1Very high130 Ų13094.3 Ų94.361%0.60745%0.45SS*.EExtended strand (participates in β ladder)trans-144.1151.5176.3-60-164.2155.400110.6L41 R42 M57L41-E59 VanDerWaalsContact O-CA 3.3Å; L41-E59 WeakPolarHBondContact O-CA 2.98Å; R42-E59 HydrophobicContact CG-CG 4.17Å; M57-E59 VanDerWaalsContact C-N 3.32Å; M57-E59 PolarHBondContact O-N 3.5Å
60V98.6Very high98.1Very high15 Ų1589.1 Ų89.19%0.09143%0.428CS..EExtended strand (participates in β ladder)trans-137.9147169.3-590000110.7Y26 L41 V44 M57 I62Y26-V60 HydrophobicContact CD1-CG1 4.34Å; Y26-V60 HydrophobicContact CD1-CG2 4.14Å; Y26-V60 HydrophobicContact CE1-CG1 4.39Å; L41-V60 HydrophobicContact CB-CG2 3.76Å; L41-V60 HydrophobicContact CD1-CG2 4.2Å; L41-V60 HydrophobicContact CG-CG2 4.29Å; L41-V60 PolarHBondContact N-O 3.18Å; L41-V60 PolarHBondContact O-N 3.44Å; V44-V60 HydrophobicContact CB-CG1 4.28Å; V44-V60 HydrophobicContact CB-CG2 4.27Å; V44-V60 HydrophobicContact CG1-CG1 4.34Å; V44-V60 HydrophobicContact CG1-CG2 4.05Å; V44-V60 HydrophobicContact CG2-CG1 4.45Å; V44-V60 HydrophobicContact CG2-CG2 3.79Å; M57-V60 HydrophobicContact CB-CG1 3.88Å; M57-V60 HydrophobicContact CE-CG1 3.69Å; M57-V60 HydrophobicContact CG-CG1 4.35Å; M57-V60 HydrophobicContact SD-CG1 3.57Å; M57-V60 VanDerWaalsContact SD-CG1 3.57Å; V60-I62 HydrophobicContact CG2-CD1 4.17Å; V60-I62 HydrophobicContact CG2-CG1 4.2Å
61F98.5Very high98.1Very high119 Ų11990.5 Ų90.552%0.52242%0.424SS..EExtended strand (participates in β ladder)trans-112.9120.4169179.4-106000109.5N38 I39 H40N38-F61 HydrophobicContact CB-CE2 3.67Å; N38-F61 HydrophobicContact CB-CZ 3.61Å; I39-F61 WeakPolarHBondContact O-CA 3.4Å; H40-F61 AromaticContact CD2-CD2 3.79Å; H40-F61 AromaticContact CD2-CE2 3.9Å; H40-F61 AromaticContact CE1-CD2 3.2Å; H40-F61 WeakPolarHBondContact CE1-CD2 3.27Å; H40-F61 AromaticContact CE1-CE2 3.57Å; H40-F61 AromaticContact CG-CD2 3.92Å; H40-F61 AromaticContact ND1-CD2 3.56Å; H40-F61 AromaticContact NE2-CD2 3.34Å; H40-F61 VanDerWaalsContact NE2-CD2 3.34Å; H40-F61 WeakPolarHBondContact NE2-CD2 3.34Å; H40-F61 AromaticContact NE2-CE2 3.27Å; H40-F61 VanDerWaalsContact NE2-CE2 3.27Å; H40-F61 WeakPolarHBondContact NE2-CE2 3.2Å
62I98.7Very high98Very high8 Ų891 Ų914%0.04142%0.417CS..EExtended strand (participates in β ladder)trans-112.9125.7-177.2-61.4171.5000108.4V18 L20 Y26 N38 I39 L41 V60 G64 V67V18-I62 HydrophobicContact CB-CD1 4.43Å; V18-I62 HydrophobicContact CG1-CD1 4.37Å; L20-I62 HydrophobicContact CD1-CG2 4.43Å; L20-I62 HydrophobicContact CD2-CG2 3.52Å; Y26-I62 HydrophobicContact CD1-CD1 4.18Å; Y26-I62 HydrophobicContact CD2-CD1 4.09Å; Y26-I62 HydrophobicContact CG-CD1 3.78Å; N38-I62 CarbonylContact C-O 3.52Å; N38-I62 VanDerWaalsContact CA-O 3.31Å; N38-I62 WeakPolarHBondContact CA-O 3.24Å; I39-I62 HydrophobicContact CB-CB 4.35Å; I39-I62 PolarHBondContact N-O 3.38Å; I39-I62 PolarHBondContact O-N 3.33Å; L41-I62 HydrophobicContact CD1-CD1 3.99Å; V60-I62 HydrophobicContact CG2-CD1 4.17Å; V60-I62 HydrophobicContact CG2-CG1 4.2Å; I62-G64 PolarHBondContact O-N 3.06Å; I62-V67 HydrophobicContact CG2-CG2 3.89Å
63R98.6Very high97.8Very high171 Ų17187.5 Ų87.565%0.64540%0.4SS*.  trans-70127.2175.5-173.7178.6-176.4177.51.9110.5N38 A65 T66N38-R63 WeakPolarHBondContact OD1-CA 3.41Å; R63-A65 VanDerWaalsContact C-N 3.28Å; R63-A65 PolarHBondContact O-N 2.83Å; R63-A65 VanDerWaalsContact O-N 3.16Å; R63-T66 HydrophobicContact CB-CG2 4.18Å; R63-T66 WeakPolarHBondContact O-CB 3.44Å; R63-T66 PolarHBondContact O-N 2.75Å; R63-T66 PolarHBondContact O-OG1 3.48Å
64G98.3Very high97.5Very high4 Ų486.4 Ų86.44%0.04140%0.401CS..G310 helixtrans-59.3-34.8-172.900000115M37 N38 I62 T66 V67M37-G64 WeakPolarHBondContact O-CA 3.4Å; N38-G64 PolarHBondContact OD1-N 2.86Å; I62-G64 PolarHBondContact O-N 3.06Å; G64-T66 PolarHBondContact O-N 3.12Å; G64-T66 VanDerWaalsContact O-N 3.08Å; G64-V67 WeakPolarHBondContact O-CB 3.31Å; G64-V67 PolarHBondContact O-N 2.98Å
65A98.2Very high97.2Very high65 Ų6586.2 Ų86.254%0.53740%0.402SS..G310 helixtrans-61.6-18.6176.400000114.1K21 R63K21-A65 WeakPolarHBondContact CE-O 3.45Å; K21-A65 PolarHBondContact NZ-O 2.76Å; R63-A65 VanDerWaalsContact C-N 3.28Å; R63-A65 PolarHBondContact O-N 2.83Å; R63-A65 VanDerWaalsContact O-N 3.16Å
66T98.5Very high97Very high53 Ų5381.2 Ų81.233%0.32538%0.383SS..G310 helixtrans-90.7-14.2178.770.20000113L20 K21 R63 G64L20-T66 WeakPolarHBondContact CA-O 3.43Å; K21-T66 WeakPolarHBondContact CG-O 3.14Å; K21-T66 PolarHBondContact N-O 3.37Å; R63-T66 HydrophobicContact CB-CG2 4.18Å; R63-T66 WeakPolarHBondContact O-CB 3.44Å; R63-T66 PolarHBondContact O-N 2.75Å; R63-T66 PolarHBondContact O-OG1 3.48Å; G64-T66 PolarHBondContact O-N 3.12Å; G64-T66 VanDerWaalsContact O-N 3.08Å
67V98.6Very high96.6Very high21 Ų2173.6 Ų73.613%0.12736%0.357CS..EExtended strand (participates in β ladder)trans-70.4133.6179.2179.90000109.3V18 L20 I39 I62 G64 M70V18-V67 HydrophobicContact CG1-CB 4.5Å; V18-V67 HydrophobicContact CG1-CG1 3.89Å; V18-V67 HydrophobicContact CG1-CG2 3.95Å; L20-V67 HydrophobicContact CD2-CG2 4.19Å; I39-V67 HydrophobicContact CG1-CG2 4.48Å; I62-V67 HydrophobicContact CG2-CG2 3.89Å; G64-V67 WeakPolarHBondContact O-CB 3.31Å; G64-V67 PolarHBondContact O-N 2.98Å; V67-M70 HydrophobicContact CG1-CG 4.15Å
68K98.7Very high96.3Very high126 Ų12672.9 Ų72.955%0.54835%0.353SS..EExtended strand (participates in β ladder)trans-93.3-53.7171.3-175.8-171.2169.3-1730109.5E19 K21E19-K68 HydrophobicContact CG-CD 4.4Å; E19-K68 VanDerWaalsContact O-CB 3.32Å; E19-K68 WeakPolarHBondContact O-CB 3.3Å; E19-K68 PolarHBondContact O-N 3.23Å; E19-K68 WeakPolarHBondContact OE1-CD 3.44Å; E19-K68 IonicContact OE1-NZ 2.73Å; E19-K68 PolarHBondContact OE1-NZ 3.15Å; K21-K68 HydrophobicContact CG-CB 4.16Å
69Y98.2Very high96Very high80 Ų8071.1 Ų71.131%0.31434%0.337SS..EExtended strand (participates in β ladder)trans-157.8167.4173.868.9-96.2000111.7L17 E19 R71L17-Y69 HydrophobicContact CD2-CE2 4.43Å; E19-Y69 HydrophobicContact CB-CD1 4.1Å; E19-Y69 HydrophobicContact CB-CD2 4.49Å; E19-Y69 HydrophobicContact CB-CE1 3.69Å; E19-Y69 HydrophobicContact CB-CE2 4.12Å; E19-Y69 HydrophobicContact CB-CG 4.48Å; E19-Y69 HydrophobicContact CG-CE1 3.97Å; E19-Y69 PolarHBondContact N-O 2.78Å; E19-Y69 PolarHBondContact O-N 3.3Å; E19-Y69 WeakPolarHBondContact OE1-CE1 3.34Å; E19-Y69 VanDerWaalsContact OE2-CE1 3.25Å; E19-Y69 WeakPolarHBondContact OE2-CE1 3.35Å; E19-Y69 PolarHBondContact OE2-OH 3.29Å; Y69-R71 HydrophobicContact CD2-CG 4.3Å; Y69-R71 HydrophobicContact CE2-CG 3.84Å; Y69-R71 PolarHBondContact OH-NH2 3.01Å
70M97.8Very high95.6Very high44 Ų4465.2 Ų65.222%0.21731%0.31CS..EExtended strand (participates in β ladder)trans-123.1143.6173-64.6179.1-8800110L8 M16 L17 V18 I39 V67 I72L8-M70 HydrophobicContact CD1-CE 3.51Å; L8-M70 HydrophobicContact CD1-SD 4.42Å; L8-M70 HydrophobicContact CD2-CE 3.87Å; L8-M70 HydrophobicContact CD2-SD 3.94Å; L8-M70 HydrophobicContact CG-CE 4.3Å; M16-M70 HydrophobicContact SD-SD 4.31Å; L17-M70 CarbonylContact O-C 3.51Å; L17-M70 VanDerWaalsContact O-CA 3.22Å; L17-M70 WeakPolarHBondContact O-CA 3.24Å; V18-M70 HydrophobicContact CB-CG 4.4Å; V18-M70 HydrophobicContact CG1-CG 4.12Å; V18-M70 HydrophobicContact CG2-CG 4.01Å; V18-M70 HydrophobicContact CG2-SD 4.37Å; I39-M70 HydrophobicContact CD1-CE 4.39Å; I39-M70 HydrophobicContact CD1-SD 4.08Å; I39-M70 HydrophobicContact CG1-SD 4.33Å; V67-M70 HydrophobicContact CG1-CG 4.15Å; M70-I72 HydrophobicContact CB-CG1 4.45Å
71R97.2Very high95.2Very high151 Ų15169 Ų6957%0.5732%0.322SS*.EExtended strand (participates in β ladder)trans-100.5119.7166.1-54.5-174.8179.3179.62108M16 L17 Y69M16-R71 WeakPolarHBondContact CA-O 3.26Å; M16-R71 VanDerWaalsContact CB-O 3.29Å; M16-R71 WeakPolarHBondContact CB-O 3.31Å; L17-R71 HydrophobicContact CB-CB 4.09Å; L17-R71 HydrophobicContact CB-CG 4.29Å; L17-R71 HydrophobicContact CD2-CG 4.22Å; L17-R71 PolarHBondContact N-O 3.1Å; L17-R71 PolarHBondContact O-N 2.83Å; Y69-R71 HydrophobicContact CD2-CG 4.3Å; Y69-R71 HydrophobicContact CE2-CG 3.84Å; Y69-R71 PolarHBondContact OH-NH2 3.01Å
72I93Very high94.8Very high49 Ų4968.2 Ų68.225%0.25132%0.321SS..  trans-110.5135.3-178-58173.1000107.2L7 L8 A11 M70 V76L7-I72 HydrophobicContact CD2-CD1 3.61Å; L7-I72 HydrophobicContact CG-CD1 4.01Å; L8-I72 HydrophobicContact CD2-CD1 3.71Å; L8-I72 HydrophobicContact CD2-CG1 4.5Å; A11-I72 HydrophobicContact CB-CG2 4.37Å; M70-I72 HydrophobicContact CB-CG1 4.45Å; I72-V76 HydrophobicContact CG2-CB 3.75Å; I72-V76 HydrophobicContact CG2-CG1 3.91Å; I72-V76 HydrophobicContact CG2-CG2 3.92Å
73P92.4Very high94.3Very high30 Ų3072.8 Ų72.820%0.19534%0.342CS..  trans-61.1148.3176.4-19.830.8000112.6P15 E75 V76P15-P73 HydrophobicContact CG-CG 4.22Å; P15-P73 WeakPolarHBondContact O-CD 3.32Å; P15-P73 WeakPolarHBondContact O-CG 3.49Å; P73-E75 WeakPolarHBondContact CB-OE2 3.3Å; P73-E75 PolarHBondContact O-N 3.32Å; P73-V76 WeakPolarHBondContact O-CB 3.49Å; P73-V76 PolarHBondContact O-N 3.27Å
74E91.4Very high93.9Very high111 Ų11166.9 Ų66.952%0.51932%0.323SS..Hα-helixtrans-66.6-25.1179.8-17763.8-15000111.7V76 M77 E78 R81E74-V76 PolarHBondContact O-N 2.9Å; E74-M77 WeakPolarHBondContact O-CA 3.42Å; E74-M77 VanDerWaalsContact O-CB 3.24Å; E74-M77 WeakPolarHBondContact O-CB 3.41Å; E74-M77 PolarHBondContact O-N 3.34Å; E74-E78 PolarHBondContact O-N 3.35Å; E74-E78 VanDerWaalsContact O-N 3.14Å; E74-R81 IonicContact OE1-CZ 2.78Å; E74-R81 IonicContact OE1-NH1 3.74Å; E74-R81 PolarHBondContact OE1-NH1 2.91Å; E74-R81 IonicContact OE1-NH2 3.34Å; E74-R81 PolarHBondContact OE1-NH2 3.49Å
75E93.1Very high93.5Very high125 Ų12574.1 Ų74.158%0.58435%0.349SS*.Hα-helixtrans-57.3-39.3175.6-62.676.6-169.300111.2P73 M77 E78 L79P73-E75 WeakPolarHBondContact CB-OE2 3.3Å; P73-E75 PolarHBondContact O-N 3.32Å; E75-M77 VanDerWaalsContact C-N 3.26Å; E75-M77 PolarHBondContact O-N 2.93Å; E75-E78 PolarHBondContact O-N 3.22Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 3.39Å
76V93.1Very high93.1Very high0 Ų075.7 Ų75.70%035%0.345CS..Hα-helixtrans-62.9-37.2175.1179.80000110.8L7 A11 H14 I72 P73 E74 E78 L79 V80L7-V76 HydrophobicContact CD1-CG1 3.85Å; A11-V76 HydrophobicContact CB-CG1 3.63Å; A11-V76 HydrophobicContact CB-CG2 4.17Å; H14-V76 HydrophobicContact CB-CG2 3.79Å; I72-V76 HydrophobicContact CG2-CB 3.75Å; I72-V76 HydrophobicContact CG2-CG1 3.91Å; I72-V76 HydrophobicContact CG2-CG2 3.92Å; P73-V76 WeakPolarHBondContact O-CB 3.49Å; P73-V76 PolarHBondContact O-N 3.27Å; E74-V76 PolarHBondContact O-N 2.9Å; V76-E78 VanDerWaalsContact C-N 3.33Å; V76-E78 PolarHBondContact O-N 3.27Å; V76-L79 PolarHBondContact O-N 3.22Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.41Å
77M90.7Very high92.6Very high58 Ų5876.4 Ų76.429%0.28635%0.349SS..Hα-helixtrans-64.6-38.8177.8-66.6-64.6-63.700111.4L7 E74 E75 R81L7-M77 HydrophobicContact CD1-SD 3.52Å; L7-M77 VanDerWaalsContact CD1-SD 3.52Å; L7-M77 HydrophobicContact CD2-SD 4.02Å; L7-M77 HydrophobicContact CG-SD 4.44Å; E74-M77 WeakPolarHBondContact O-CA 3.42Å; E74-M77 VanDerWaalsContact O-CB 3.24Å; E74-M77 WeakPolarHBondContact O-CB 3.41Å; E74-M77 PolarHBondContact O-N 3.34Å; E75-M77 VanDerWaalsContact C-N 3.26Å; E75-M77 PolarHBondContact O-N 2.93Å; M77-R81 VanDerWaalsContact O-CG 3.3Å; M77-R81 WeakPolarHBondContact O-CG 3.27Å; M77-R81 PolarHBondContact O-N 3.15Å; M77-R81 VanDerWaalsContact O-N 3.15Å
78E91.3Very high92.2Very high66 Ų6682.8 Ų82.831%0.30837%0.371SS..Hα-helixtrans-67.8-43.3175.1-166.257.9-148.100111.6E74 E75 V76 V80 R81 E82 R85E74-E78 PolarHBondContact O-N 3.35Å; E74-E78 VanDerWaalsContact O-N 3.14Å; E75-E78 PolarHBondContact O-N 3.22Å; V76-E78 VanDerWaalsContact C-N 3.33Å; V76-E78 PolarHBondContact O-N 3.27Å; E78-V80 VanDerWaalsContact C-N 3.28Å; E78-V80 PolarHBondContact O-N 2.91Å; E78-R81 WeakPolarHBondContact O-CA 3.48Å; E78-R81 WeakPolarHBondContact O-CB 3.39Å; E78-R81 PolarHBondContact O-N 3.34Å; E78-R81 WeakPolarHBondContact OE2-CD 3.38Å; E78-R81 IonicContact OE2-CZ 2.75Å; E78-R81 IonicContact OE2-NH1 3.37Å; E78-R81 PolarHBondContact OE2-NH1 3.49Å; E78-E82 WeakPolarHBondContact O-CG 3.48Å; E78-E82 PolarHBondContact O-N 3.47Å; E78-R85 IonicContact OE1-NH1 3.01Å; E78-R85 PolarHBondContact OE1-NH1 3.14Å
79L92.3Very high91.9Very high68 Ų6882.4 Ų82.436%0.35637%0.369SS..Hα-helixtrans-56.3-42.6175.8-68.6174.7000112.3T10 H14 E75 V76 R81 E82 E83T10-L79 HydrophobicContact CG2-CB 3.87Å; H14-L79 WeakPolarHBondContact NE2-CD1 3.27Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 3.39Å; V76-L79 PolarHBondContact O-N 3.22Å; L79-R81 VanDerWaalsContact C-N 3.35Å; L79-R81 PolarHBondContact O-N 3.34Å; L79-E82 PolarHBondContact O-N 3Å; L79-E83 WeakPolarHBondContact O-CB 3.35Å; L79-E83 PolarHBondContact O-N 3.29Å
80V90.8Very high91.6Very high5 Ų582.4 Ų82.43%0.0338%0.377CS..Hα-helixtrans-64.6-38.8175.5171.60000111.9V2 L7 T10 V76 E78 E83 I84V2-V80 HydrophobicContact CB-CG1 4.27Å; V2-V80 HydrophobicContact CG1-CG1 3.72Å; V2-V80 HydrophobicContact CG2-CG1 3.5Å; V2-V80 VanDerWaalsContact CG2-CG1 3.5Å; L7-V80 HydrophobicContact CD1-CG2 3.73Å; T10-V80 HydrophobicContact CG2-CG2 3.65Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.41Å; E78-V80 VanDerWaalsContact C-N 3.28Å; E78-V80 PolarHBondContact O-N 2.91Å; V80-E83 PolarHBondContact O-N 2.87Å; V80-I84 HydrophobicContact CG1-CD1 3.9Å; V80-I84 WeakPolarHBondContact O-CB 3.45Å; V80-I84 VanDerWaalsContact O-CG1 3.27Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.09Å
81R90.1Very high91.1Very high94 Ų9485.9 Ų85.936%0.35539%0.393SS..Hα-helixtrans-64.4-42.7176.9-69.3169-163.5140.47.2110.6E74 M77 E78 L79 I84 R85E74-R81 IonicContact OE1-CZ 2.78Å; E74-R81 IonicContact OE1-NH1 3.74Å; E74-R81 PolarHBondContact OE1-NH1 2.91Å; E74-R81 IonicContact OE1-NH2 3.34Å; E74-R81 PolarHBondContact OE1-NH2 3.49Å; M77-R81 VanDerWaalsContact O-CG 3.3Å; M77-R81 WeakPolarHBondContact O-CG 3.27Å; M77-R81 PolarHBondContact O-N 3.15Å; M77-R81 VanDerWaalsContact O-N 3.15Å; E78-R81 WeakPolarHBondContact O-CA 3.48Å; E78-R81 WeakPolarHBondContact O-CB 3.39Å; E78-R81 PolarHBondContact O-N 3.34Å; E78-R81 WeakPolarHBondContact OE2-CD 3.38Å; E78-R81 IonicContact OE2-CZ 2.75Å; E78-R81 IonicContact OE2-NH1 3.37Å; E78-R81 PolarHBondContact OE2-NH1 3.49Å; L79-R81 VanDerWaalsContact C-N 3.35Å; L79-R81 PolarHBondContact O-N 3.34Å; R81-I84 PolarHBondContact O-N 2.96Å; R81-R85 WeakPolarHBondContact O-CB 3.49Å; R81-R85 VanDerWaalsContact O-CG 3.28Å; R81-R85 WeakPolarHBondContact O-CG 3.48Å; R81-R85 PolarHBondContact O-N 3.46Å
82E90.3Very high90.8Very high104 Ų10487 Ų8749%0.48640%0.397SS..Hα-helixtrans-63.1-46.5175.9-69.1-175162.300111.9E78 L79 I84 R85 E86E78-E82 WeakPolarHBondContact O-CG 3.48Å; E78-E82 PolarHBondContact O-N 3.47Å; L79-E82 PolarHBondContact O-N 3Å; E82-I84 VanDerWaalsContact C-N 3.31Å; E82-I84 PolarHBondContact O-N 2.88Å; E82-R85 WeakPolarHBondContact O-CB 3.44Å; E82-R85 PolarHBondContact O-N 3.04Å; E82-R85 VanDerWaalsContact O-N 3.09Å; E82-E86 PolarHBondContact O-N 3.49Å
83E88.4Confident90.7Very high104 Ų10488 Ų8849%0.48640%0.404SS..Hα-helixtrans-57.4-43.7176.7-173.8-177.3176.500111.8T10 L79 V80 T87T10-E83 PolarHBondContact OG1-OE2 2.85Å; L79-E83 WeakPolarHBondContact O-CB 3.35Å; L79-E83 PolarHBondContact O-N 3.29Å; V80-E83 PolarHBondContact O-N 2.87Å; E83-T87 WeakPolarHBondContact O-CB 3.34Å; E83-T87 PolarHBondContact O-N 3.32Å; E83-T87 PolarHBondContact O-OG1 3.03Å
84I89.2Confident90.6Very high47 Ų4791.7 Ų91.724%0.24142%0.419CS..Hα-helixtrans-66.4-41.1176.4-70.9171.1000111.3V2 V80 R81 E82 R88V2-I84 HydrophobicContact CG2-CD1 3.6Å; V80-I84 HydrophobicContact CG1-CD1 3.9Å; V80-I84 WeakPolarHBondContact O-CB 3.45Å; V80-I84 VanDerWaalsContact O-CG1 3.27Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 3.09Å; R81-I84 PolarHBondContact O-N 2.96Å; E82-I84 VanDerWaalsContact C-N 3.31Å; E82-I84 PolarHBondContact O-N 2.88Å; I84-R88 WeakPolarHBondContact O-CB 3.28Å; I84-R88 VanDerWaalsContact O-CG 3.24Å; I84-R88 WeakPolarHBondContact O-CG 3.46Å; I84-R88 PolarHBondContact O-N 2.96Å
85R90.2Very high90.5Very high155 Ų15589.8 Ų89.859%0.58542%0.418SS*.Hα-helixtrans-62.6-46.4177.7-77.5172-179.1154.22.4110.7E78 R81 E82 R88 K89E78-R85 IonicContact OE1-NH1 3.01Å; E78-R85 PolarHBondContact OE1-NH1 3.14Å; R81-R85 WeakPolarHBondContact O-CB 3.49Å; R81-R85 VanDerWaalsContact O-CG 3.28Å; R81-R85 WeakPolarHBondContact O-CG 3.48Å; R81-R85 PolarHBondContact O-N 3.46Å; E82-R85 WeakPolarHBondContact O-CB 3.44Å; E82-R85 PolarHBondContact O-N 3.04Å; E82-R85 VanDerWaalsContact O-N 3.09Å; R85-R88 PolarHBondContact O-N 2.8Å; R85-K89 WeakPolarHBondContact O-CB 3.42Å; R85-K89 PolarHBondContact O-N 3.27Å
86E90.1Very high90.3Very high98 Ų9888.5 Ų88.546%0.45841%0.411SS..Hα-helixtrans-66.1-44.4-179.4-16855.3-141.800111.1E82 R88 K89 V90E82-E86 PolarHBondContact O-N 3.49Å; E86-R88 VanDerWaalsContact C-N 3.29Å; E86-R88 PolarHBondContact O-N 2.95Å; E86-K89 WeakPolarHBondContact O-CB 3.24Å; E86-K89 PolarHBondContact O-N 3.1Å; E86-K89 VanDerWaalsContact O-N 3.1Å; E86-V90 WeakPolarHBondContact O-CG2 3.4Å; E86-V90 PolarHBondContact O-N 3.3Å
87T87.9Confident90.1Very high68 Ų6893.7 Ų93.742%0.41744%0.436SS..Hα-helixtrans-57.5-43175.5-59.60000111.7E83 Q91E83-T87 WeakPolarHBondContact O-CB 3.34Å; E83-T87 PolarHBondContact O-N 3.32Å; E83-T87 PolarHBondContact O-OG1 3.03Å; T87-Q91 VanDerWaalsContact O-CG 3.26Å; T87-Q91 WeakPolarHBondContact O-CG 3.26Å; T87-Q91 PolarHBondContact O-N 3.37Å
88R90.1Very high90Very high156 Ų15697.5 Ų97.559%0.58945%0.451SS*.Hα-helixtrans-68-36177.6-75.3173.4174.8-167.9-3.7112.6I84 R85 E86 R92I84-R88 WeakPolarHBondContact O-CB 3.28Å; I84-R88 VanDerWaalsContact O-CG 3.24Å; I84-R88 WeakPolarHBondContact O-CG 3.46Å; I84-R88 PolarHBondContact O-N 2.96Å; R85-R88 PolarHBondContact O-N 2.8Å; E86-R88 VanDerWaalsContact C-N 3.29Å; E86-R88 PolarHBondContact O-N 2.95Å; R88-R92 WeakPolarHBondContact O-CB 3.4Å; R88-R92 PolarHBondContact O-N 2.97Å
89K91.9Very high89.8Confident118 Ų11899.1 Ų99.151%0.51346%0.462SS..Hα-helixtrans-64.9-49.4176.6-176.8-175.4170.3-162.70110.9R85 E86 Q91 R92 D93R85-K89 WeakPolarHBondContact O-CB 3.42Å; R85-K89 PolarHBondContact O-N 3.27Å; E86-K89 WeakPolarHBondContact O-CB 3.24Å; E86-K89 PolarHBondContact O-N 3.1Å; E86-K89 VanDerWaalsContact O-N 3.1Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 3.02Å; K89-R92 PolarHBondContact O-N 2.93Å; K89-R92 VanDerWaalsContact O-N 3.12Å; K89-D93 PolarHBondContact O-N 3.12Å
90V91.3Very high89.6Confident79 Ų79105.2 Ų105.248%0.47948%0.48SS..Hα-helixtrans-56.5-46175.5173.20000111E86 R92 D93 M94E86-V90 WeakPolarHBondContact O-CG2 3.4Å; E86-V90 PolarHBondContact O-N 3.3Å; V90-R92 PolarHBondContact O-N 3.05Å; V90-D93 PolarHBondContact O-N 3.3Å; V90-M94 HydrophobicContact CG1-CG 4.46Å; V90-M94 WeakPolarHBondContact O-CB 3.28Å; V90-M94 VanDerWaalsContact O-CG 3.28Å; V90-M94 WeakPolarHBondContact O-CG 3.39Å; V90-M94 PolarHBondContact O-N 3.36Å
91Q89.1Confident89.3Confident117 Ų117106.6 Ų106.655%0.54749%0.489SS..Hα-helixtrans-60-45.4176.5-73.8174.78.300112.3T87 K89 D93 M94 S95T87-Q91 VanDerWaalsContact O-CG 3.26Å; T87-Q91 WeakPolarHBondContact O-CG 3.26Å; T87-Q91 PolarHBondContact O-N 3.37Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 3.02Å; Q91-D93 PolarHBondContact O-N 3.5Å; Q91-M94 PolarHBondContact O-N 2.98Å; Q91-S95 PolarHBondContact O-N 3.07Å; Q91-S95 PolarHBondContact O-OG 3.1Å; Q91-S95 VanDerWaalsContact O-OG 3.06Å
92R90.2Very high89.1Confident174 Ų174105.4 Ų105.466%0.65750%0.499SS*.Hα-helixtrans-63.1-42.4179.8-172.7179-175-178.31.6111.9R88 K89 V90 S95 K96R88-R92 WeakPolarHBondContact O-CB 3.4Å; R88-R92 PolarHBondContact O-N 2.97Å; K89-R92 PolarHBondContact O-N 2.93Å; K89-R92 VanDerWaalsContact O-N 3.12Å; V90-R92 PolarHBondContact O-N 3.05Å; R92-S95 PolarHBondContact O-N 3.01Å; R92-K96 WeakPolarHBondContact O-CG 3.49Å; R92-K96 PolarHBondContact O-N 2.91Å
93D91.6Very high88.8Confident72 Ų72111.1 Ų111.139%0.38552%0.516SS..Hα-helixtrans-72.5-35.7-178.8-68.5-23.4000111.6K89 V90 Q91 S95 K96 M97K89-D93 PolarHBondContact O-N 3.12Å; V90-D93 PolarHBondContact O-N 3.3Å; Q91-D93 PolarHBondContact O-N 3.5Å; D93-S95 PolarHBondContact O-N 3.39Å; D93-K96 PolarHBondContact O-N 3.48Å; D93-K96 IonicContact OD1-NZ 3.52Å; D93-K96 PolarHBondContact OD1-NZ 2.96Å; D93-M97 WeakPolarHBondContact O-CB 3.4Å; D93-M97 PolarHBondContact O-N 3.02Å
94M89.5Confident88.7Confident107 Ų107110.3 Ų110.353%0.52753%0.527SS..Hα-helixtrans-61.3-42.7169.3-75-63.7-68.700112.4V90 Q91 M97 K98V90-M94 HydrophobicContact CG1-CG 4.46Å; V90-M94 WeakPolarHBondContact O-CB 3.28Å; V90-M94 VanDerWaalsContact O-CG 3.28Å; V90-M94 WeakPolarHBondContact O-CG 3.39Å; V90-M94 PolarHBondContact O-N 3.36Å; Q91-M94 PolarHBondContact O-N 2.98Å; M94-M97 PolarHBondContact O-N 3.01Å; M94-K98 WeakPolarHBondContact O-CB 3.4Å; M94-K98 PolarHBondContact O-N 3.14Å
95S89.5Confident88.4Confident71 Ų71111.6 Ų111.650%0.49755%0.552SS.*Hα-helixtrans-63-42.1175.2-59.10000112.2Q91 R92 D93 K98 N99Q91-S95 PolarHBondContact O-N 3.07Å; Q91-S95 PolarHBondContact O-OG 3.1Å; Q91-S95 VanDerWaalsContact O-OG 3.06Å; R92-S95 PolarHBondContact O-N 3.01Å; D93-S95 PolarHBondContact O-N 3.39Å; S95-K98 PolarHBondContact O-N 3.46Å; S95-N99 WeakPolarHBondContact O-CB 3.47Å; S95-N99 PolarHBondContact O-N 3.06Å
96K89.7Confident87.8Confident97 Ų97106 Ų10642%0.42254%0.542SS..Hα-helixtrans-62.5-43.8175.4-71.7171.8-172160.10111.6R92 D93 N99 R100R92-K96 WeakPolarHBondContact O-CG 3.49Å; R92-K96 PolarHBondContact O-N 2.91Å; D93-K96 PolarHBondContact O-N 3.48Å; D93-K96 IonicContact OD1-NZ 3.52Å; D93-K96 PolarHBondContact OD1-NZ 2.96Å; K96-N99 PolarHBondContact O-N 2.96Å; K96-R100 WeakPolarHBondContact O-CG 3.5Å; K96-R100 PolarHBondContact O-N 3.42Å
97M88.4Confident87.1Confident110 Ų110111.1 Ų111.154%0.54256%0.563SS.*Hα-helixtrans-65.5-44.6179.2-174.5162.7-177.100111.5D93 M94 N99 R100 V101D93-M97 WeakPolarHBondContact O-CB 3.4Å; D93-M97 PolarHBondContact O-N 3.02Å; M94-M97 PolarHBondContact O-N 3.01Å; M97-N99 VanDerWaalsContact C-N 3.27Å; M97-N99 PolarHBondContact O-N 2.98Å; M97-R100 PolarHBondContact O-N 3.36Å; M97-R100 VanDerWaalsContact O-N 3.11Å; M97-V101 HydrophobicContact CG-CG2 4.41Å; M97-V101 WeakPolarHBondContact O-CG2 3.34Å; M97-V101 PolarHBondContact O-N 3.03Å
98K87.1Confident86Confident138 Ų138111.9 Ų111.960%0.656%0.564SS**Hα-helixtrans-56.7-42.6174.2-172.5179.2179.4-177.70111.6M94 S95 V101 A102M94-K98 WeakPolarHBondContact O-CB 3.4Å; M94-K98 PolarHBondContact O-N 3.14Å; S95-K98 PolarHBondContact O-N 3.46Å; K98-V101 PolarHBondContact O-N 3.48Å; K98-A102 WeakPolarHBondContact O-CB 3.37Å; K98-A102 PolarHBondContact O-N 2.91Å
99N87.2Confident84.6Confident100 Ų100113.1 Ų113.154%0.53558%0.576SS.*Hα-helixtrans-66.2-37.2176.9-74.9-4.8000112.8S95 K96 M97 R103S95-N99 WeakPolarHBondContact O-CB 3.47Å; S95-N99 PolarHBondContact O-N 3.06Å; K96-N99 PolarHBondContact O-N 2.96Å; M97-N99 VanDerWaalsContact C-N 3.27Å; M97-N99 PolarHBondContact O-N 2.98Å; N99-R103 VanDerWaalsContact O-CG 3.3Å; N99-R103 WeakPolarHBondContact O-CG 3.3Å; N99-R103 PolarHBondContact O-N 3.08Å; N99-R103 VanDerWaalsContact O-N 3.11Å
100R88.2Confident82.9Confident195 Ų195112.1 Ų112.174%0.73658%0.577SS**Hα-helixtrans-66.6-45174.6-73.8-179.7177.1-175.2-1.6111.9K96 M97 R103 A104K96-R100 WeakPolarHBondContact O-CG 3.5Å; K96-R100 PolarHBondContact O-N 3.42Å; M97-R100 PolarHBondContact O-N 3.36Å; M97-R100 VanDerWaalsContact O-N 3.11Å; R100-R103 PolarHBondContact O-N 2.99Å; R100-A104 PolarHBondContact O-N 3.33Å
101V85.4Confident81.2Confident34 Ų34113.8 Ų113.821%0.20659%0.589CS.*Hα-helixtrans-64.4-42179.1171.90000111.2M97 K98 R103 A104 G105 G106 L108M97-V101 HydrophobicContact CG-CG2 4.41Å; M97-V101 WeakPolarHBondContact O-CG2 3.34Å; M97-V101 PolarHBondContact O-N 3.03Å; K98-V101 PolarHBondContact O-N 3.48Å; V101-R103 PolarHBondContact O-N 3.11Å; V101-A104 PolarHBondContact O-N 3.43Å; V101-G105 PolarHBondContact O-N 3Å; V101-G106 WeakPolarHBondContact CG1-O 3.41Å; V101-G106 PolarHBondContact O-N 3.11Å; V101-L108 HydrophobicContact CB-CD1 4.26Å; V101-L108 HydrophobicContact CG1-CB 4.36Å; V101-L108 HydrophobicContact CG1-CD1 4.25Å; V101-L108 HydrophobicContact CG2-CD1 3.83Å
102A85.5Confident79.5Confident69 Ų69117 Ų11757%0.5760%0.601SS**Hα-helixtrans-62-40.4174.800000112.6K98 A104 G105K98-A102 WeakPolarHBondContact O-CB 3.37Å; K98-A102 PolarHBondContact O-N 2.91Å; A102-A104 VanDerWaalsContact C-N 3.32Å; A102-G105 PolarHBondContact O-N 3.27Å
103R84.4Confident77.4Confident225 Ų225115.6 Ų115.685%0.84961%0.607SS**Hα-helixtrans-68.3-29.9175.5-74.6179.2-177.1-171.70.3113.3N99 R100 V101 G105N99-R103 VanDerWaalsContact O-CG 3.3Å; N99-R103 WeakPolarHBondContact O-CG 3.3Å; N99-R103 PolarHBondContact O-N 3.08Å; N99-R103 VanDerWaalsContact O-N 3.11Å; R100-R103 PolarHBondContact O-N 2.99Å; V101-R103 PolarHBondContact O-N 3.11Å; R103-G105 PolarHBondContact O-N 3.04Å
104A85.9Confident75.2Confident87 Ų87114.1 Ų114.172%0.71961%0.608SS**THydrogen-bonded Turntrans-81.95.217600000113.5R100 V101 A102 G106R100-A104 PolarHBondContact O-N 3.33Å; V101-A104 PolarHBondContact O-N 3.43Å; A102-A104 VanDerWaalsContact C-N 3.32Å; A104-G106 PolarHBondContact O-N 3.11Å
105G82.8Confident73.1Confident73 Ų73115.2 Ų115.275%0.75362%0.624SS**THydrogen-bonded Turntrans72.86.4-178.300000114.8V101 A102 R103V101-G105 PolarHBondContact O-N 3Å; A102-G105 PolarHBondContact O-N 3.27Å; R103-G105 PolarHBondContact O-N 3.04Å
106G78.5Confident71.3Confident37 Ų37120.8 Ų120.838%0.38164%0.642SS.*  trans-84.9151.8177.700000112.7V101 A104V101-G106 WeakPolarHBondContact CG1-O 3.41Å; V101-G106 PolarHBondContact O-N 3.11Å; A104-G106 PolarHBondContact O-N 3.11Å
107K74Confident69.3Low206 Ų206120.6 Ų120.690%0.89666%0.659SS**  trans-94.6129.5162.8-80.2-175.9178.4176.80109.1Q109K107-Q109 PolarHBondContact O-N 3.34Å
108L65.5Low67.3Low84 Ų84124.2 Ų124.244%0.4467%0.671SS.*  trans-69.3111.1171.1-15884.2000108.3V101 N110V101-L108 HydrophobicContact CB-CD1 4.26Å; V101-L108 HydrophobicContact CG1-CB 4.36Å; V101-L108 HydrophobicContact CG1-CD1 4.25Å; V101-L108 HydrophobicContact CG2-CD1 3.83Å; L108-N110 PolarHBondContact O-N 3.44Å
109Q61.9Low65.3Low182 Ų182125.4 Ų125.485%0.8568%0.684SS**  trans-72.9123.4176.8-148.316733.200108.6K107 P111K107-Q109 PolarHBondContact O-N 3.34Å; Q109-P111 WeakPolarHBondContact O-CD 3.34Å
110N55.2Low63.4Low98 Ų98129.9 Ų129.952%0.52470%0.699SS.*  trans-68.9119.4-178.4-168.316.4000109.1L108 K112 N113L108-N110 PolarHBondContact O-N 3.44Å; N110-K112 PolarHBondContact O-N 2.91Å; N110-N113 PolarHBondContact O-N 2.94Å; N110-N113 VanDerWaalsContact O-N 3.11Å
111P55.4Low61.4Low113 Ų113125.9 Ų125.973%0.73470%0.699SS**G310 helixtrans-64.1-14.5-177.222.3-31.2000113.4Q109 N113 G114Q109-P111 WeakPolarHBondContact O-CD 3.34Å; P111-N113 PolarHBondContact O-N 3.18Å; P111-N113 VanDerWaalsContact O-N 3.14Å; P111-G114 PolarHBondContact O-N 3.42Å
112K53.5Low59.8Low184 Ų184134.2 Ų134.280%0.873%0.732SS**G310 helixtrans-63.7-13.6173.1-69.7-163.7175.7-1720114.5N110N110-K112 PolarHBondContact O-N 2.91Å
113N45.4Very low58.5Low145 Ų145140.8 Ų140.878%0.77575%0.748SS**G310 helixtrans-105.112.7173.8-65.91.4000112.6N110 P111N110-N113 PolarHBondContact O-N 2.94Å; N110-N113 VanDerWaalsContact O-N 3.11Å; P111-N113 PolarHBondContact O-N 3.18Å; P111-N113 VanDerWaalsContact O-N 3.14Å
114G47.1Very low57.1Low41 Ų41142.9 Ų142.942%0.42377%0.767SS.*SBendtrans-65.7143.6169.300000110.2P111 Q116P111-G114 PolarHBondContact O-N 3.42Å; G114-Q116 PolarHBondContact O-N 3.46Å; G114-Q116 VanDerWaalsContact O-N 3.08Å
115P45.6Very low55.7Low130 Ų130145.7 Ų145.784%0.84477%0.77SS**PPolyproline II helixtrans-53.3121.5-179.720.6-30.2000109.1A117P115-A117 PolarHBondContact O-N 3.03Å; P115-A117 VanDerWaalsContact O-N 3.1Å
116Q50.1Low54.3Low188 Ų188149.5 Ų149.588%0.87977%0.771SS**PPolyproline II helixtrans-47.1121.7174.7-73.1170.5-1.500107.8G114 K118G114-Q116 PolarHBondContact O-N 3.46Å; G114-Q116 VanDerWaalsContact O-N 3.08Å; Q116-K118 PolarHBondContact O-N 3.27Å
117A48Very low52.9Low94 Ų94155.8 Ų155.878%0.77779%0.792SS**PPolyproline II helixtrans-48.4117176.700000107.7P115 N119P115-A117 PolarHBondContact O-N 3.03Å; P115-A117 VanDerWaalsContact O-N 3.1Å; A117-N119 PolarHBondContact O-N 3.34Å
118K46.1Very low51.7Low186 Ų186152.8 Ų152.881%0.80979%0.786SS**PPolyproline II helixtrans-50.7118.7178.3-72.8178.8176179.30107.3Q116 F120Q116-K118 PolarHBondContact O-N 3.27Å; K118-F120 PolarHBondContact O-N 3.27Å
119N46.6Very low50.8Low163 Ų163157.1 Ų157.187%0.87281%0.808SS**  trans-48.5115169.8-87.7-22.4000108.3A117A117-N119 PolarHBondContact O-N 3.34Å
120F45.5Very low50.1Low193 Ų193155.5 Ų155.585%0.84681%0.805SS**PPolyproline II helixtrans-68143.7169.3-84.8-94.6000109.1K118K118-F120 PolarHBondContact O-N 3.27Å
121P47.3Very low49.7Very low112 Ų112159.6 Ų159.673%0.72783%0.825SS**PPolyproline II helixtrans-70.8143.4-165.729.7-36.3000111.9K123P121-K123 PolarHBondContact O-N 3.21Å
122K52.2Low49.3Very low208 Ų208163.2 Ų163.290%0.90483%0.832SS**PPolyproline II helixtrans-57.5120.6169.4-68.5179.5176.1-177.80108.5
123K56.8Low49Very low207 Ų207161.4 Ų161.490%0.984%0.835SS**PPolyproline II helixtrans-74.9125.3158.4-77.5-174.1174.3-175.10107.1P121P121-K123 PolarHBondContact O-N 3.21Å
124E56.9Low49.3Very low270 Ų270162.9 Ų162.9100%1.26284%0.84SS**  trans-56.40166-70.6175128.200111.8

Retrieved 124 of 124 residues in 85.1 ms (Link to these results)

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