C4QM24_SCHMA Loading...

KTSC domain-containing protein

AlphaFold DB , UniProt , Accession C4QM24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 75 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
1M72.2Confident80Confident129 Ų12996.5 Ų96.564%0.63555%0.553SS**  0118.50179.8-179.1-177.700107.3F13 Y14 Y15 D16M1-F13 HydrophobicContact CE-CB 4.21Å; M1-F13 HydrophobicContact CE-CD1 3.22Å; M1-F13 HydrophobicContact CE-CE1 3.81Å; M1-F13 HydrophobicContact CE-CG 4.01Å; M1-Y14 CarbonylContact C-O 3.55Å; M1-Y14 WeakPolarHBondContact CA-O 3.24Å; M1-Y15 HydrophobicContact CB-CD1 4.49Å; M1-Y15 HydrophobicContact CE-CE1 4.16Å; M1-Y15 WeakPolarHBondContact CE-OH 3.47Å; M1-Y15 HydrophobicContact CG-CD1 4.35Å; M1-Y15 HydrophobicContact CG-CE1 4.05Å; M1-Y15 HydrophobicContact SD-CE1 3.8Å; M1-D16 PolarHBondContact N-OD2 3.49Å
2T79.4Confident79.8Confident84 Ų8491.3 Ų91.352%0.51553%0.527SS..EExtended strand (participates in β ladder)trans-119135.7176.1-57.70000107.4Y14T2-Y14 PolarHBondContact N-O 3.24Å; T2-Y14 PolarHBondContact O-N 3.39Å
3S77.7Confident79.6Confident73 Ų7389.2 Ų89.251%0.5151%0.508SS..EExtended strand (participates in β ladder)trans-112.3143.3174.453.50000110.2S12S3-S12 CarbonylContact C-O 3.58Å; S3-S12 VanDerWaalsContact CA-O 3.3Å; S3-S12 WeakPolarHBondContact CA-O 3.31Å
4L79.1Confident79.3Confident81 Ų8191.2 Ų91.242%0.42451%0.505SS..EExtended strand (participates in β ladder)trans-122.1123.9172.4178.864.5000108.9V11 S12 Y14L4-V11 CarbonylContact O-C 3.6Å; L4-V11 WeakPolarHBondContact O-CA 3.24Å; L4-S12 PolarHBondContact N-O 2.88Å; L4-S12 PolarHBondContact O-N 3.27Å; L4-Y14 HydrophobicContact CB-CE2 4.03Å
5I81.1Confident78.9Confident124 Ų12489.6 Ų89.664%0.63649%0.489SS*.EExtended strand (participates in β ladder)trans-101.5116.9172.9-55.1175.8000107.5V11I5-V11 HydrophobicContact CG1-CG1 4.38Å; I5-V11 HydrophobicContact CG1-CG2 4.3Å
6H79.6Confident78.6Confident59 Ų5990.3 Ų90.327%0.27349%0.492SS..  trans-81.8152.3179.4-63.9-93.2000110.4N8 G9 K10 S12H6-N8 WeakPolarHBondContact CB-OD1 3.21Å; H6-N8 PolarHBondContact O-N 2.94Å; H6-G9 PolarHBondContact O-N 3.42Å; H6-K10 HydrophobicContact CB-CB 4.16Å; H6-K10 PolarHBondContact CD2-O 3.46Å; H6-K10 PolarHBondContact N-O 2.84Å; H6-S12 PolarHBondContact NE2-OG 2.75Å
7P86.4Confident78.1Confident145 Ų14594.4 Ų94.494%0.94251%0.513SS*.THydrogen-bonded Turntrans-57.7-21.7178.2-26.434.8000114.8G9P7-G9 VanDerWaalsContact C-N 3.26Å; P7-G9 PolarHBondContact O-N 3.33Å
8N87.2Confident77.6Confident107 Ų10792.1 Ų92.157%0.57250%0.5SS*.THydrogen-bonded Turntrans-85.610.1175.965.46.1000113.8H6 K10H6-N8 WeakPolarHBondContact CB-OD1 3.21Å; H6-N8 PolarHBondContact O-N 2.94Å; N8-K10 VanDerWaalsContact C-N 3.27Å; N8-K10 PolarHBondContact O-N 3.45Å; N8-K10 VanDerWaalsContact OD1-CB 3.3Å; N8-K10 WeakPolarHBondContact OD1-CB 3.42Å; N8-K10 VanDerWaalsContact OD1-CG 3.31Å; N8-K10 WeakPolarHBondContact OD1-CG 2.99Å; N8-K10 PolarHBondContact OD1-N 3.11Å; N8-K10 VanDerWaalsContact OD1-N 3.08Å
9G79.7Confident76.9Confident57 Ų5791.5 Ų91.559%0.58850%0.501SS*.SBendtrans80-0.8-18000000114.9H6 P7H6-G9 PolarHBondContact O-N 3.42Å; P7-G9 VanDerWaalsContact C-N 3.26Å; P7-G9 PolarHBondContact O-N 3.33Å
10K82.6Confident76.4Confident139 Ų13993.4 Ų93.460%0.60452%0.515SS*.  trans-67.3142.2171.7-67.4-178.2-179.7-177.10109.8H6 N8H6-K10 HydrophobicContact CB-CB 4.16Å; H6-K10 PolarHBondContact CD2-O 3.46Å; H6-K10 PolarHBondContact N-O 2.84Å; N8-K10 VanDerWaalsContact C-N 3.27Å; N8-K10 PolarHBondContact O-N 3.45Å; N8-K10 VanDerWaalsContact OD1-CB 3.3Å; N8-K10 WeakPolarHBondContact OD1-CB 3.42Å; N8-K10 VanDerWaalsContact OD1-CG 3.31Å; N8-K10 WeakPolarHBondContact OD1-CG 2.99Å; N8-K10 PolarHBondContact OD1-N 3.11Å; N8-K10 VanDerWaalsContact OD1-N 3.08Å
11V75.1Confident75.8Confident64 Ų6497.2 Ų97.239%0.38853%0.53SS..EExtended strand (participates in β ladder)trans-118.6126.4174.4-172.80000108.8L4 I5 F13L4-V11 CarbonylContact O-C 3.6Å; L4-V11 WeakPolarHBondContact O-CA 3.24Å; I5-V11 HydrophobicContact CG1-CG1 4.38Å; I5-V11 HydrophobicContact CG1-CG2 4.3Å; V11-F13 HydrophobicContact CB-CE2 4.34Å; V11-F13 HydrophobicContact CB-CZ 4.34Å; V11-F13 HydrophobicContact CG1-CD1 4.44Å; V11-F13 HydrophobicContact CG1-CD2 4.49Å; V11-F13 HydrophobicContact CG1-CE1 3.83Å; V11-F13 HydrophobicContact CG1-CE2 3.84Å; V11-F13 HydrophobicContact CG1-CZ 3.49Å; V11-F13 VanDerWaalsContact CG1-CZ 3.49Å
12S78Confident75.3Confident34 Ų3492.5 Ų92.524%0.23851%0.507CS..EExtended strand (participates in β ladder)trans-107.7135.5174.4-59.30000109.4S3 L4 H6S3-S12 CarbonylContact C-O 3.58Å; S3-S12 VanDerWaalsContact CA-O 3.3Å; S3-S12 WeakPolarHBondContact CA-O 3.31Å; L4-S12 PolarHBondContact N-O 2.88Å; L4-S12 PolarHBondContact O-N 3.27Å; H6-S12 PolarHBondContact NE2-OG 2.75Å
13F76.2Confident74.4Confident64 Ų6494.3 Ų94.328%0.28151%0.509SS..EExtended strand (participates in β ladder)trans-114.8125176.8-59.8-75.2000109.2M1 V11 Y15 I35M1-F13 HydrophobicContact CE-CB 4.21Å; M1-F13 HydrophobicContact CE-CD1 3.22Å; M1-F13 HydrophobicContact CE-CE1 3.81Å; M1-F13 HydrophobicContact CE-CG 4.01Å; V11-F13 HydrophobicContact CB-CE2 4.34Å; V11-F13 HydrophobicContact CB-CZ 4.34Å; V11-F13 HydrophobicContact CG1-CD1 4.44Å; V11-F13 HydrophobicContact CG1-CD2 4.49Å; V11-F13 HydrophobicContact CG1-CE1 3.83Å; V11-F13 HydrophobicContact CG1-CE2 3.84Å; V11-F13 HydrophobicContact CG1-CZ 3.49Å; V11-F13 VanDerWaalsContact CG1-CZ 3.49Å; F13-Y15 HydrophobicContact CB-CE2 3.7Å; F13-I35 HydrophobicContact CE2-CD1 3.9Å; F13-I35 HydrophobicContact CZ-CD1 3.68Å; F13-I35 HydrophobicContact CZ-CG1 4.1Å
14Y76.4Confident73.6Confident117 Ų11798.5 Ų98.546%0.45952%0.521SS..EExtended strand (participates in β ladder)trans-112.3123.7178.2-58.2-89.6000108.5M1 T2 L4M1-Y14 CarbonylContact C-O 3.55Å; M1-Y14 WeakPolarHBondContact CA-O 3.24Å; T2-Y14 PolarHBondContact N-O 3.24Å; T2-Y14 PolarHBondContact O-N 3.39Å; L4-Y14 HydrophobicContact CB-CE2 4.03Å
15Y72.3Confident72.7Confident67 Ų6799.2 Ų99.226%0.26353%0.532SS..  trans-109.1115.6178.3-64.7-89.4000108.5M1 F13 I31M1-Y15 HydrophobicContact CB-CD1 4.49Å; M1-Y15 HydrophobicContact CE-CE1 4.16Å; M1-Y15 WeakPolarHBondContact CE-OH 3.47Å; M1-Y15 HydrophobicContact CG-CD1 4.35Å; M1-Y15 HydrophobicContact CG-CE1 4.05Å; M1-Y15 HydrophobicContact SD-CE1 3.8Å; F13-Y15 HydrophobicContact CB-CE2 3.7Å; Y15-I31 HydrophobicContact CD1-CD1 4.26Å; Y15-I31 HydrophobicContact CD1-CG2 4.27Å; Y15-I31 HydrophobicContact CD2-CD1 3.83Å; Y15-I31 HydrophobicContact CE1-CD1 4.4Å; Y15-I31 HydrophobicContact CE1-CG2 3.46Å; Y15-I31 VanDerWaalsContact CE1-CG2 3.46Å; Y15-I31 HydrophobicContact CE2-CD1 3.98Å; Y15-I31 HydrophobicContact CE2-CG2 3.84Å; Y15-I31 HydrophobicContact CG-CD1 3.99Å; Y15-I31 WeakPolarHBondContact OH-CG2 3.33Å
16D74.1Confident71.5Confident101 Ų101101 Ų10154%0.5453%0.531SS..SBendtrans-82155171.6-46.1-64.4000109.4M1 I18M1-D16 PolarHBondContact N-OD2 3.49Å; D16-I18 VanDerWaalsContact C-N 3.29Å; D16-I18 PolarHBondContact O-N 3.49Å
17N70.5Confident70.5Confident160 Ų160100.8 Ų100.886%0.85653%0.532SS*.  trans58.535.9174.8-50.3-46.4000114.2P19N17-P19 VanDerWaalsContact O-CD 3.28Å; N17-P19 WeakPolarHBondContact O-CD 3.11Å
18I68.9Low69.2Low53 Ų53100.3 Ų100.327%0.27252%0.517SS..  trans-59.7120.1165.4-59.8-180000107.1D16 T20 Y50 I74D16-I18 VanDerWaalsContact C-N 3.29Å; D16-I18 PolarHBondContact O-N 3.49Å; I18-T20 PolarHBondContact O-N 3.09Å; I18-T20 VanDerWaalsContact O-N 3.14Å; I18-Y50 HydrophobicContact CG2-CE1 3.72Å; I18-Y50 WeakPolarHBondContact CG2-OH 3.17Å; I18-I74 HydrophobicContact CD1-CD1 4.03Å
19P64.3Low68Low80 Ų8096.9 Ų96.952%0.51950%0.502SS..  trans-57.6121176.3-21.732.7000109.7N17 Y50N17-P19 VanDerWaalsContact O-CD 3.28Å; N17-P19 WeakPolarHBondContact O-CD 3.11Å; P19-Y50 WeakPolarHBondContact O-CE1 3.31Å; P19-Y50 PolarHBondContact O-OH 3.43Å
20T66.8Low67.4Low129 Ų12998.4 Ų98.479%0.79149%0.493SS*.SBendtrans-81.1-27.8177.3500000111.9I18I18-T20 PolarHBondContact O-N 3.09Å; I18-T20 VanDerWaalsContact O-N 3.14Å
21E64.5Low66.7Low174 Ų17493.3 Ų93.381%0.81347%0.472SS*.SBendtrans-100.7127.6172.7-65.8-179.2-170.900109
22I61.3Low66.4Low30 Ų3097.5 Ų97.515%0.15448%0.482CS..  trans-129.2135.5179.5-45.5160.8000106.4E24 R26 Y50I22-E24 PolarHBondContact O-N 3.06Å; I22-R26 HydrophobicContact CG2-CB 3.61Å; I22-R26 WeakPolarHBondContact CG2-O 3.27Å; I22-Y50 HydrophobicContact CD1-CD1 3.46Å; I22-Y50 VanDerWaalsContact CD1-CD1 3.46Å; I22-Y50 HydrophobicContact CD1-CD2 2.96Å; I22-Y50 HydrophobicContact CD1-CE1 3.66Å; I22-Y50 HydrophobicContact CD1-CE2 3.17Å; I22-Y50 HydrophobicContact CD1-CG 3.06Å; I22-Y50 VanDerWaalsContact CD1-CZ 3.49Å; I22-Y50 HydrophobicContact CG1-CD1 4.46Å; I22-Y50 HydrophobicContact CG1-CD2 4.35Å; I22-Y50 HydrophobicContact CG1-CE1 4.39Å; I22-Y50 HydrophobicContact CG1-CE2 4.26Å; I22-Y50 HydrophobicContact CG1-CG 4.39Å
23E61.6Low66.1Low122 Ų12296.8 Ų96.857%0.5748%0.481SS*.  trans-53.9135.6167-63.8177.5178.300108.6S25 R26E23-S25 VanDerWaalsContact CB-OG 3.27Å; E23-S25 WeakPolarHBondContact CB-OG 3.14Å; E23-S25 PolarHBondContact O-N 2.91Å; E23-S25 PolarHBondContact OE2-OG 3.17Å; E23-R26 PolarHBondContact O-N 3.24Å; E23-R26 IonicContact OE2-NE 3.81Å
24E60.4Low65.9Low162 Ų16299.6 Ų99.676%0.75750%0.498SS*.G310 helixtrans-55-18.6175.9-71.5-174159.300112.9I22 R26 L27I22-E24 PolarHBondContact O-N 3.06Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-L27 VanDerWaalsContact O-CD1 3.31Å; E24-L27 WeakPolarHBondContact O-CD1 3.42Å; E24-L27 VanDerWaalsContact O-CG 3.24Å; E24-L27 WeakPolarHBondContact O-CG 2.99Å
25S59.7Low65.9Low95 Ų9596.4 Ų96.466%0.66449%0.488SS*.G310 helixtrans-71.2-19.6172.761.50000113.9E23E23-S25 VanDerWaalsContact CB-OG 3.27Å; E23-S25 WeakPolarHBondContact CB-OG 3.14Å; E23-S25 PolarHBondContact O-N 2.91Å; E23-S25 PolarHBondContact OE2-OG 3.17Å
26R57.1Low66.1Low163 Ų163102 Ų10262%0.61551%0.509SS*.G310 helixtrans-119.632.6-172.4-65.3-177-177.8179.43.2112.9I22 E23 E24 Q28I22-R26 HydrophobicContact CG2-CB 3.61Å; I22-R26 WeakPolarHBondContact CG2-O 3.27Å; E23-R26 PolarHBondContact O-N 3.24Å; E23-R26 IonicContact OE2-NE 3.81Å; E24-R26 VanDerWaalsContact C-N 3.3Å; R26-Q28 CarbonylContact O-C 3.52Å; R26-Q28 PolarHBondContact O-N 2.78Å
27L58.7Low66.1Low54 Ų54100.6 Ų100.628%0.28351%0.506SS..  trans-56-10.7-178.5-71.1166000115.6E24 Y57E24-L27 VanDerWaalsContact O-CD1 3.31Å; E24-L27 WeakPolarHBondContact O-CD1 3.42Å; E24-L27 VanDerWaalsContact O-CG 3.24Å; E24-L27 WeakPolarHBondContact O-CG 2.99Å; L27-Y57 VanDerWaalsContact CD1-OH 3.24Å; L27-Y57 WeakPolarHBondContact CD1-OH 3.3Å
28Q58.4Low66.7Low134 Ų134101 Ų10163%0.62650%0.503SS*.EExtended strand (participates in β ladder)trans-112.4115.7172.2-64.4-178.7-1000108.4R26R26-Q28 CarbonylContact O-C 3.52Å; R26-Q28 PolarHBondContact O-N 2.78Å
29S60.8Low67.6Low36 Ų36105.9 Ų105.925%0.25253%0.529SS..EExtended strand (participates in β ladder)trans-103.6134.3160-61.60000108.7V48 Y50S29-V48 PolarHBondContact N-O 2.87Å; S29-V48 PolarHBondContact O-N 3.34Å; S29-Y50 WeakPolarHBondContact OG-CE2 3.3Å
30E68.1Low68.4Low88 Ų88104 Ų10441%0.41152%0.52SS..EExtended strand (participates in β ladder)trans-108.7127.7175.3-70.3176160.500108.3Y32 I45 L47E30-Y32 HydrophobicContact CB-CD2 4.05Å; E30-Y32 HydrophobicContact CB-CE2 3.46Å; E30-Y32 VanDerWaalsContact CB-CE2 3.46Å; E30-Y32 HydrophobicContact CG-CE2 4.45Å; E30-Y32 WeakPolarHBondContact OE2-CE2 3.22Å; E30-Y32 PolarHBondContact OE2-OH 3.48Å; E30-I45 HydrophobicContact CB-CG2 4.42Å; E30-I45 HydrophobicContact CG-CG2 4.47Å; E30-L47 HydrophobicContact CG-CD2 3.72Å
31I68.7Low68.9Low32 Ų32103 Ų10316%0.16451%0.51CS..EExtended strand (participates in β ladder)trans-98.5112.7169.3-63.2179.3000107.1Y15 F46 V48Y15-I31 HydrophobicContact CD1-CD1 4.26Å; Y15-I31 HydrophobicContact CD1-CG2 4.27Å; Y15-I31 HydrophobicContact CD2-CD1 3.83Å; Y15-I31 HydrophobicContact CE1-CD1 4.4Å; Y15-I31 HydrophobicContact CE1-CG2 3.46Å; Y15-I31 VanDerWaalsContact CE1-CG2 3.46Å; Y15-I31 HydrophobicContact CE2-CD1 3.98Å; Y15-I31 HydrophobicContact CE2-CG2 3.84Å; Y15-I31 HydrophobicContact CG-CD1 3.99Å; Y15-I31 WeakPolarHBondContact OH-CG2 3.33Å; I31-F46 HydrophobicContact CB-CB 4.21Å; I31-F46 HydrophobicContact CG2-CD2 4.46Å; I31-F46 PolarHBondContact N-O 3.14Å; I31-F46 PolarHBondContact O-N 3.14Å; I31-V48 HydrophobicContact CD1-CG2 3.59Å; I31-V48 HydrophobicContact CG1-CG2 3.85Å
32Y68.3Low69.4Low152 Ų15299.9 Ų99.960%0.59649%0.494SS*.EExtended strand (participates in β ladder)trans-89.4132.2173.9-69.6-93.1000110.1E30 I45E30-Y32 HydrophobicContact CB-CD2 4.05Å; E30-Y32 HydrophobicContact CB-CE2 3.46Å; E30-Y32 VanDerWaalsContact CB-CE2 3.46Å; E30-Y32 HydrophobicContact CG-CE2 4.45Å; E30-Y32 WeakPolarHBondContact OE2-CE2 3.22Å; E30-Y32 PolarHBondContact OE2-OH 3.48Å; Y32-I45 HydrophobicContact CD1-CD1 4.13Å; Y32-I45 HydrophobicContact CD1-CG1 3.74Å; Y32-I45 HydrophobicContact CE1-CD1 3.56Å; Y32-I45 HydrophobicContact CE1-CG1 3.68Å; Y32-I45 HydrophobicContact CE1-CG2 4.27Å
33G71.6Confident70.1Confident20 Ų20104.5 Ų104.521%0.20652%0.519CS..EExtended strand (participates in β ladder)trans-137147.217600000111.7I44G33-I44 PolarHBondContact N-O 2.98Å; G33-I44 PolarHBondContact O-N 3.08Å; G33-I44 VanDerWaalsContact O-O 3.07Å
34L72.5Confident70.6Confident122 Ų122101.1 Ų101.164%0.63950%0.504SS*.EExtended strand (participates in β ladder)trans-112.5124.1168.9-64.8176.4000107.9L41 N43L34-L41 HydrophobicContact CB-CD1 4.38Å; L34-N43 HydrophobicContact CD2-CB 4.4Å; L34-N43 WeakPolarHBondContact CD2-OD1 3.28Å
35I75Confident71Confident51 Ų5197.9 Ų97.926%0.26249%0.491SS..EExtended strand (participates in β ladder)trans-108.1120.5169.8-59.4-168.9000107.7F13 F42 I44F13-I35 HydrophobicContact CE2-CD1 3.9Å; F13-I35 HydrophobicContact CZ-CD1 3.68Å; F13-I35 HydrophobicContact CZ-CG1 4.1Å; I35-F42 HydrophobicContact CB-CB 4.49Å; I35-F42 PolarHBondContact N-O 3.07Å; I35-F42 PolarHBondContact O-N 3.21Å; I35-I44 HydrophobicContact CB-CD1 4.24Å; I35-I44 HydrophobicContact CD1-CD1 3.3Å; I35-I44 HydrophobicContact CG1-CD1 3.63Å; I35-I44 HydrophobicContact CG1-CG1 4.46Å
36R76.5Confident71.3Confident184 Ų18496.1 Ų96.169%0.69447%0.471SS*.EExtended strand (participates in β ladder)trans-99.1124.4167.7-173.4178.4175.2175.50.6109E38 A40 L41R36-E38 PolarHBondContact NE-O 2.85Å; R36-A40 CarbonylContact C-O 3.59Å; R36-A40 WeakPolarHBondContact CA-O 3.14Å; R36-L41 HydrophobicContact CB-CD1 4.06Å
37C75.3Confident71.4Confident71 Ų7193.4 Ų93.448%0.4847%0.469SS..EExtended strand (participates in β ladder)trans-118.9112.5170.1-169.50000107.7D39 A40 F42C37-D39 PolarHBondContact O-N 3.38Å; C37-D39 VanDerWaalsContact O-N 3.07Å; C37-A40 PolarHBondContact N-O 2.78Å; C37-A40 WeakPolarHBondContact O-CA 3.18Å; C37-A40 PolarHBondContact O-N 2.74Å; C37-F42 HydrophobicContact CB-CE2 4.07Å
38E83.1Confident71.4Confident168 Ų16891.9 Ų91.979%0.78546%0.461SS*.THydrogen-bonded Turntrans51.2-114.6-176.1-57.9176.8170.500111.2R36R36-E38 PolarHBondContact NE-O 2.85Å
39D87.6Confident71.4Confident156 Ų15689.1 Ų89.183%0.83445%0.449SS*.THydrogen-bonded Turntrans-95.40.8-180-63.1-37.7000113.7C37C37-D39 PolarHBondContact O-N 3.38Å; C37-D39 VanDerWaalsContact O-N 3.07Å
40A79.9Confident70.9Confident40 Ų4089.9 Ų89.933%0.33145%0.446SS..EExtended strand (participates in β ladder)trans-101.3135.3178.100000112.1R36 C37 F42R36-A40 CarbonylContact C-O 3.59Å; R36-A40 WeakPolarHBondContact CA-O 3.14Å; C37-A40 PolarHBondContact N-O 2.78Å; C37-A40 WeakPolarHBondContact O-CA 3.18Å; C37-A40 PolarHBondContact O-N 2.74Å; A40-F42 HydrophobicContact CB-CD2 4.41Å; A40-F42 HydrophobicContact CB-CE2 3.54Å; A40-F42 HydrophobicContact CB-CZ 3.75Å
41L77.7Confident69.9Low109 Ų10992.6 Ų92.657%0.57145%0.453SS*.EExtended strand (participates in β ladder)trans-112125.3173.4-172.971000109.7L34 R36L34-L41 HydrophobicContact CB-CD1 4.38Å; R36-L41 HydrophobicContact CB-CD1 4.06Å
42F76.3Confident68.6Low109 Ų10996 Ų9648%0.47847%0.47SS..EExtended strand (participates in β ladder)trans-114.6122.4179.2-58.8-85.4000110I35 C37 A40I35-F42 HydrophobicContact CB-CB 4.49Å; I35-F42 PolarHBondContact N-O 3.07Å; I35-F42 PolarHBondContact O-N 3.21Å; C37-F42 HydrophobicContact CB-CE2 4.07Å; A40-F42 HydrophobicContact CB-CD2 4.41Å; A40-F42 HydrophobicContact CB-CE2 3.54Å; A40-F42 HydrophobicContact CB-CZ 3.75Å
43N75.5Confident67.1Low126 Ų12696.9 Ų96.967%0.67448%0.478SS*.EExtended strand (participates in β ladder)trans-82.9126.1168.7-65.5-6.8000108.5L34L34-N43 HydrophobicContact CD2-CB 4.4Å; L34-N43 WeakPolarHBondContact CD2-OD1 3.28Å
44I71.4Confident65.3Low51 Ų5198.4 Ų98.426%0.26249%0.485SS..EExtended strand (participates in β ladder)trans-125.1131.6177.7-51.6-176.5000108.6G33 I35 F46G33-I44 PolarHBondContact N-O 2.98Å; G33-I44 PolarHBondContact O-N 3.08Å; G33-I44 VanDerWaalsContact O-O 3.07Å; I35-I44 HydrophobicContact CB-CD1 4.24Å; I35-I44 HydrophobicContact CD1-CD1 3.3Å; I35-I44 HydrophobicContact CG1-CD1 3.63Å; I35-I44 HydrophobicContact CG1-CG1 4.46Å; I44-F46 HydrophobicContact CB-CE2 4.3Å; I44-F46 HydrophobicContact CG2-CD2 4.04Å; I44-F46 HydrophobicContact CG2-CE1 4.05Å; I44-F46 HydrophobicContact CG2-CE2 3.51Å; I44-F46 HydrophobicContact CG2-CZ 3.53Å
45I68.3Low63.6Low95 Ų95100.2 Ų100.249%0.48749%0.494SS..EExtended strand (participates in β ladder)trans-117.5120.7174.7-56.9175.6000106.5E30 Y32E30-I45 HydrophobicContact CB-CG2 4.42Å; E30-I45 HydrophobicContact CG-CG2 4.47Å; Y32-I45 HydrophobicContact CD1-CD1 4.13Å; Y32-I45 HydrophobicContact CD1-CG1 3.74Å; Y32-I45 HydrophobicContact CE1-CD1 3.56Å; Y32-I45 HydrophobicContact CE1-CG1 3.68Å; Y32-I45 HydrophobicContact CE1-CG2 4.27Å
46F66Low61.9Low57 Ų57102.8 Ų102.825%0.2551%0.512CS..EExtended strand (participates in β ladder)trans-100.9118.9170.2-60.1-83.6000108.9I31 I44 V48I31-F46 HydrophobicContact CB-CB 4.21Å; I31-F46 HydrophobicContact CG2-CD2 4.46Å; I31-F46 PolarHBondContact N-O 3.14Å; I31-F46 PolarHBondContact O-N 3.14Å; I44-F46 HydrophobicContact CB-CE2 4.3Å; I44-F46 HydrophobicContact CG2-CD2 4.04Å; I44-F46 HydrophobicContact CG2-CE1 4.05Å; I44-F46 HydrophobicContact CG2-CE2 3.51Å; I44-F46 HydrophobicContact CG2-CZ 3.53Å; F46-V48 PolarHBondContact O-N 3.34Å
47L60.6Low60.1Low106 Ų10698.6 Ų98.656%0.55550%0.497SS*.EExtended strand (participates in β ladder)trans-80112.6170.4-72164.2000108.7E30E30-L47 HydrophobicContact CG-CD2 3.72Å
48V58.2Low58.2Low22 Ų22102.3 Ų102.313%0.13351%0.505CS..EExtended strand (participates in β ladder)trans-94.5105.7170.7-175.60000107.5S29 I31 F46 Y50S29-V48 PolarHBondContact N-O 2.87Å; S29-V48 PolarHBondContact O-N 3.34Å; I31-V48 HydrophobicContact CD1-CG2 3.59Å; I31-V48 HydrophobicContact CG1-CG2 3.85Å; F46-V48 PolarHBondContact O-N 3.34Å; V48-Y50 HydrophobicContact CB-CE2 4.38Å; V48-Y50 HydrophobicContact CG1-CD2 4.11Å; V48-Y50 HydrophobicContact CG1-CE2 3.78Å
49Q57.5Low56.2Low77 Ų7799.1 Ų99.136%0.3650%0.501SS..EExtended strand (participates in β ladder)trans-92122.3167.8-77.5-167-21.600109.9R51 F69Q49-R51 PolarHBondContact O-N 2.5Å; Q49-F69 HydrophobicContact CG-CE1 4.21Å; Q49-F69 VanDerWaalsContact OE1-CD1 3.22Å
50Y50Low54Low51 Ų5198.8 Ų98.820%0.249%0.492CS..  trans-85.9115.5173.1-63.6-104.7000108.7I18 P19 I22 S29 V48 I52I18-Y50 HydrophobicContact CG2-CE1 3.72Å; I18-Y50 WeakPolarHBondContact CG2-OH 3.17Å; P19-Y50 WeakPolarHBondContact O-CE1 3.31Å; P19-Y50 PolarHBondContact O-OH 3.43Å; I22-Y50 HydrophobicContact CD1-CD1 3.46Å; I22-Y50 VanDerWaalsContact CD1-CD1 3.46Å; I22-Y50 HydrophobicContact CD1-CD2 2.96Å; I22-Y50 HydrophobicContact CD1-CE1 3.66Å; I22-Y50 HydrophobicContact CD1-CE2 3.17Å; I22-Y50 HydrophobicContact CD1-CG 3.06Å; I22-Y50 VanDerWaalsContact CD1-CZ 3.49Å; I22-Y50 HydrophobicContact CG1-CD1 4.46Å; I22-Y50 HydrophobicContact CG1-CD2 4.35Å; I22-Y50 HydrophobicContact CG1-CE1 4.39Å; I22-Y50 HydrophobicContact CG1-CE2 4.26Å; I22-Y50 HydrophobicContact CG1-CG 4.39Å; S29-Y50 WeakPolarHBondContact OG-CE2 3.3Å; V48-Y50 HydrophobicContact CB-CE2 4.38Å; V48-Y50 HydrophobicContact CG1-CD2 4.11Å; V48-Y50 HydrophobicContact CG1-CE2 3.78Å; Y50-I52 PolarHBondContact O-N 3.33Å
51R48Very low52.1Low145 Ų145101.7 Ų101.755%0.54750%0.495SS..  trans-80.689.6168.3-72.3-175.4-179.9-178.11.3108.3Q49 F53Q49-R51 PolarHBondContact O-N 2.5Å; R51-F53 HydrophobicContact CB-CD2 4.41Å; R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 PolarHBondContact O-N 2.87Å
52I41.5Very low49.9Very low103 Ų103104.6 Ų104.653%0.52851%0.506SS..  trans-68.7104.1158.6-59176.2000105.3Y50 S54Y50-I52 PolarHBondContact O-N 3.33Å; I52-S54 PolarHBondContact O-N 2.86Å
53F36.1Very low47.9Very low172 Ų172108 Ų10875%0.75452%0.521SS*.  trans-66.773.6172.9-84.6-88.8000109.6R51R51-F53 HydrophobicContact CB-CD2 4.41Å; R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 PolarHBondContact O-N 2.87Å
54S34.7Very low45.9Very low51 Ų51106 Ų10636%0.35751%0.51SS..  trans-102.7114.5158.7-175.30000107I52 T56 Y57I52-S54 PolarHBondContact O-N 2.86Å; S54-T56 PolarHBondContact O-N 2.83Å; S54-T56 PolarHBondContact OG-OG1 2.87Å; S54-Y57 WeakPolarHBondContact O-CB 3.41Å; S54-Y57 PolarHBondContact O-N 3.01Å
55I37.3Very low44.1Very low161 Ų161109.9 Ų109.983%0.82654%0.536SS*.Hα-helixtrans-48.4-27.1178.3-71.8161.6000111.6Y57I55-Y57 VanDerWaalsContact C-N 3.34Å; I55-Y57 PolarHBondContact O-N 2.93Å
56T38.7Very low42.5Very low104 Ų104109.8 Ų109.864%0.63854%0.544SS*.Hα-helixtrans-64.7-31.5177.3-32.30000113.5S54 S59S54-T56 PolarHBondContact O-N 2.83Å; S54-T56 PolarHBondContact OG-OG1 2.87Å; T56-S59 PolarHBondContact O-N 3.08Å; T56-S59 PolarHBondContact O-OG 2.84Å
57Y37.7Very low40.8Very low97 Ų97110 Ų11038%0.3855%0.552SS.*Hα-helixtrans-75-33.2-171.9-145.4-89.7000113.3L27 S54 I55 S59 K60 Y61L27-Y57 VanDerWaalsContact CD1-OH 3.24Å; L27-Y57 WeakPolarHBondContact CD1-OH 3.3Å; S54-Y57 WeakPolarHBondContact O-CB 3.41Å; S54-Y57 PolarHBondContact O-N 3.01Å; I55-Y57 VanDerWaalsContact C-N 3.34Å; I55-Y57 PolarHBondContact O-N 2.93Å; Y57-S59 PolarHBondContact O-N 3.37Å; Y57-K60 PolarHBondContact O-N 3.33Å; Y57-K60 VanDerWaalsContact O-N 3.11Å; Y57-Y61 AromaticContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CE2 4.17Å; Y57-Y61 AromaticContact CE1-CD2 3.3Å; Y57-Y61 HydrophobicContact CE1-CD2 3.3Å; Y57-Y61 AromaticContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CG 4.33Å; Y57-Y61 HydrophobicContact CE2-CE2 4.17Å; Y57-Y61 AromaticContact CZ-CD2 3.85Å; Y57-Y61 AromaticContact CZ-CE2 3.5Å; Y57-Y61 VanDerWaalsContact CZ-CE2 3.5Å
58F37Very low39.2Very low149 Ų149111.1 Ų111.165%0.65457%0.569SS**Hα-helixtrans-63.1-27.6176.9-92.3-79.1000112.9K60F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 2.89Å
59S41.2Very low38.1Very low100 Ų100113.3 Ų113.370%0.69958%0.577SS**THydrogen-bonded Turntrans-71.2-24.817776.60000113.2T56 Y57T56-S59 PolarHBondContact O-N 3.08Å; T56-S59 PolarHBondContact O-OG 2.84Å; Y57-S59 PolarHBondContact O-N 3.37Å
60K40.8Very low36.8Very low149 Ų149116.4 Ų116.465%0.64860%0.595SS**THydrogen-bonded Turntrans-94-27.2-169.8-166.6173.5179.1-175.60113.7Y57 F58Y57-K60 PolarHBondContact O-N 3.33Å; Y57-K60 VanDerWaalsContact O-N 3.11Å; F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 2.89Å
61Y39.3Very low36.1Very low102 Ų102117.2 Ų117.240%0.461%0.605SS.*  trans-127.670.6-174.3-59.7-80000112.2Y57 F63 L64Y57-Y61 AromaticContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CE2 4.17Å; Y57-Y61 AromaticContact CE1-CD2 3.3Å; Y57-Y61 HydrophobicContact CE1-CD2 3.3Å; Y57-Y61 AromaticContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CG 4.33Å; Y57-Y61 HydrophobicContact CE2-CE2 4.17Å; Y57-Y61 AromaticContact CZ-CD2 3.85Å; Y57-Y61 AromaticContact CZ-CE2 3.5Å; Y57-Y61 VanDerWaalsContact CZ-CE2 3.5Å; Y61-F63 PolarHBondContact O-N 2.83Å; Y61-F63 VanDerWaalsContact O-N 3.09Å; Y61-L64 PolarHBondContact O-N 2.9Å
62Q32.2Very low35.4Very low169 Ų169115 Ų11579%0.7960%0.603SS**G310 helixtrans-59.3-14171.9-107.5177.3-21.300114.2L64 T65Q62-L64 PolarHBondContact O-N 3.49Å; Q62-T65 PolarHBondContact O-OG1 2.79Å
63F33.9Very low34.8Very low181 Ų181116.8 Ų116.879%0.79461%0.614SS**G310 helixtrans-81.8-8.1-175.2-124-87.5000114.8Y61 T65Y61-F63 PolarHBondContact O-N 2.83Å; Y61-F63 VanDerWaalsContact O-N 3.09Å; F63-T65 PolarHBondContact O-N 2.93Å
64L33.5Very low34.6Very low85 Ų85114 Ų11445%0.44561%0.606SS.*G310 helixtrans-79.17.8179-71.5167.9000113.6Y61 Q62 F69Y61-L64 PolarHBondContact O-N 2.9Å; Q62-L64 PolarHBondContact O-N 3.49Å; L64-F69 HydrophobicContact CB-CE2 4.45Å; L64-F69 HydrophobicContact CD2-CE2 4.15Å; L64-F69 HydrophobicContact CD2-CZ 3.74Å
65T34.1Very low34.5Very low132 Ų132126.7 Ų126.781%0.8165%0.646SS**G310 helixtrans-82-10.1178.655.50000114.5Q62 F63Q62-T65 PolarHBondContact O-OG1 2.79Å; F63-T65 PolarHBondContact O-N 2.93Å
66S33.4Very low34.3Very low93 Ų93125 Ų12565%0.6564%0.637SS**SBendtrans-116.8-1.9-16964.10000117.2
67S30.5Very low34.1Very low61 Ų61126.1 Ų126.143%0.42764%0.637SS.*SBendtrans-99.9119.1169.551.60000109.4F69S67-F69 VanDerWaalsContact C-N 3.28Å; S67-F69 WeakPolarHBondContact O-CD2 2.9Å; S67-F69 WeakPolarHBondContact O-CE2 3.49Å; S67-F69 PolarHBondContact O-N 3.47Å; S67-F69 WeakPolarHBondContact OG-CE2 3.38Å; S67-F69 WeakPolarHBondContact OG-CZ 3.4Å
68S27.6Very low33.9Very low129 Ų129127.7 Ų127.790%0.90265%0.651SS**  trans-56.286.8175.4-47.40000110.6L70S68-L70 PolarHBondContact O-N 3.01Å; S68-L70 VanDerWaalsContact O-N 3.14Å
69F35.7Very low33.7Very low68 Ų68126.5 Ų126.530%0.29865%0.651SS.*  trans-68.6112.2172.1-66.7-68.8000107.4Q49 L64 S67 T71Q49-F69 HydrophobicContact CG-CE1 4.21Å; Q49-F69 VanDerWaalsContact OE1-CD1 3.22Å; L64-F69 HydrophobicContact CB-CE2 4.45Å; L64-F69 HydrophobicContact CD2-CE2 4.15Å; L64-F69 HydrophobicContact CD2-CZ 3.74Å; S67-F69 VanDerWaalsContact C-N 3.28Å; S67-F69 WeakPolarHBondContact O-CD2 2.9Å; S67-F69 WeakPolarHBondContact O-CE2 3.49Å; S67-F69 PolarHBondContact O-N 3.47Å; S67-F69 WeakPolarHBondContact OG-CE2 3.38Å; S67-F69 WeakPolarHBondContact OG-CZ 3.4Å; F69-T71 PolarHBondContact O-N 2.9Å; F69-T71 PolarHBondContact O-OG1 2.84Å
70L30.4Very low33.3Very low143 Ų143128.1 Ų128.175%0.74965%0.648SS**  trans-60.793.3156-173.674.8000105.6S68 I72S68-L70 PolarHBondContact O-N 3.01Å; S68-L70 VanDerWaalsContact O-N 3.14Å; L70-I72 PolarHBondContact O-N 2.87Å
71T34.2Very low32.8Very low68 Ų68126.7 Ų126.742%0.41765%0.648SS.*  trans-74.397-177.9-55.50000106.1F69 N73F69-T71 PolarHBondContact O-N 2.9Å; F69-T71 PolarHBondContact O-OG1 2.84Å; T71-N73 VanDerWaalsContact C-N 3.32Å; T71-N73 PolarHBondContact O-N 3.07Å; T71-N73 VanDerWaalsContact O-N 3.07Å
72I34.6Very low32.3Very low99 Ų99128.5 Ų128.551%0.50867%0.666SS.*  trans-73.997.4166.6-58.5175.9000105.2L70 I74L70-I72 PolarHBondContact O-N 2.87Å; I72-I74 HydrophobicContact CG2-CG1 4.27Å; I72-I74 PolarHBondContact O-N 2.99Å; I72-I74 VanDerWaalsContact O-N 3.08Å
73N28.4Very low32.3Very low139 Ų139125.4 Ų125.474%0.74366%0.656SS**  trans-66.2105.6167-67.7-56.8000106.9T71T71-N73 VanDerWaalsContact C-N 3.32Å; T71-N73 PolarHBondContact O-N 3.07Å; T71-N73 VanDerWaalsContact O-N 3.07Å
74I32.4Very low32.2Very low114 Ų114120.8 Ų120.859%0.58565%0.645SS**  trans-81113.3164.1-53.7174.2000104.7I18 I72I18-I74 HydrophobicContact CD1-CD1 4.03Å; I72-I74 HydrophobicContact CG2-CG1 4.27Å; I72-I74 PolarHBondContact O-N 2.99Å; I72-I74 VanDerWaalsContact O-N 3.08Å
75W31.3Very low32Very low318 Ų318124 Ų124100%1.20566%0.663SS**  trans-90.60175.4-149.656.8000109.7

Retrieved 75 of 75 residues in 97.5 ms (Link to these results)