A0A077Z0A2_TRITR Loading...

LSM domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0A2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 94 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
1M41.8Very low69.9Low212 Ų212101.3 Ų101.3100%1.04460%0.599SS**  0114.60-63.5-74.7-171.900105.8I3M1-I3 HydrophobicContact SD-CD1 4.38Å; M1-I3 HydrophobicContact SD-CG1 3.94Å
2P43.5Very low71.6Confident118 Ų118101.7 Ų101.777%0.76659%0.591SS**  cis-91.7139.434.334.6-32.5000112.5S4P2-S4 VanDerWaalsContact C-N 3.29Å; P2-S4 PolarHBondContact O-N 3.26Å
3I48.8Very low73.1Confident142 Ų142104.1 Ų104.173%0.72858%0.584SS**  trans-86.481.5155.720.5163.5000105M1 G5M1-I3 HydrophobicContact SD-CD1 4.38Å; M1-I3 HydrophobicContact SD-CG1 3.94Å; I3-G5 PolarHBondContact O-N 2.77Å; I3-G5 VanDerWaalsContact O-N 3.09Å
4S54.5Low74.6Confident80 Ų8097.1 Ų97.156%0.55954%0.544SS*.  trans-68.9104.8175.147.80000108.4P2 G6P2-S4 VanDerWaalsContact C-N 3.29Å; P2-S4 PolarHBondContact O-N 3.26Å; S4-G6 PolarHBondContact O-N 2.79Å
5G60.4Low75.9Confident80 Ų8090.7 Ų90.783%0.82551%0.508SS*.SBendtrans-54.4122.3-17100000114I3I3-G5 PolarHBondContact O-N 2.77Å; I3-G5 VanDerWaalsContact O-N 3.09Å
6G80.1Confident77Confident39 Ų3987.3 Ų87.340%0.40249%0.485SS..SBendtrans170.1-160.2177.200000109.1S4 W8 G9S4-G6 PolarHBondContact O-N 2.79Å; G6-W8 PolarHBondContact O-N 3.36Å; G6-W8 VanDerWaalsContact O-N 3.1Å; G6-G9 PolarHBondContact O-N 3.3Å
7L86.3Confident78.1Confident95 Ų9582.2 Ų82.250%0.49746%0.457SS..G310 helixtrans-57.8-28.1-177.4-66.7163.5000113.3G9 L10 V32L7-G9 PolarHBondContact O-N 3.14Å; L7-L10 HydrophobicContact CD2-CD1 3.94Å; L7-L10 VanDerWaalsContact O-CB 3.26Å; L7-L10 WeakPolarHBondContact O-CB 3.26Å; L7-L10 PolarHBondContact O-N 2.92Å; L7-V32 HydrophobicContact CD1-CG1 3.85Å
8W85.5Confident79.1Confident183 Ų18379.3 Ų79.369%0.69344%0.439SS*.G310 helixtrans-59.5-32.4175.7-49.4-93.1000113.3G6 L10 L11G6-W8 PolarHBondContact O-N 3.36Å; G6-W8 VanDerWaalsContact O-N 3.1Å; W8-L10 PolarHBondContact O-N 3.1Å; W8-L11 WeakPolarHBondContact O-CB 3.42Å; W8-L11 WeakPolarHBondContact O-CG 3.38Å; W8-L11 PolarHBondContact O-N 3.24Å
9G87Confident79.9Confident42 Ų4276.1 Ų76.143%0.43342%0.421SS..G310 helixtrans-70-12.5176.800000113.5G6 L7G6-G9 PolarHBondContact O-N 3.3Å; L7-G9 PolarHBondContact O-N 3.14Å
10L89.6Confident80.7Confident37 Ų3776.3 Ų76.319%0.19443%0.426CS..G310 helixtrans-88.9-12.3176.8-51.4-175.5000112.4L7 W8 Q12 R13 F29 V83L7-L10 HydrophobicContact CD2-CD1 3.94Å; L7-L10 VanDerWaalsContact O-CB 3.26Å; L7-L10 WeakPolarHBondContact O-CB 3.26Å; L7-L10 PolarHBondContact O-N 2.92Å; W8-L10 PolarHBondContact O-N 3.1Å; L10-Q12 PolarHBondContact O-N 2.8Å; L10-R13 VanDerWaalsContact O-CB 3.22Å; L10-R13 WeakPolarHBondContact O-CB 3.38Å; L10-R13 WeakPolarHBondContact O-CG 3.2Å; L10-R13 PolarHBondContact O-N 3.28Å; L10-F29 VanDerWaalsContact C-CD1 3.49Å; L10-F29 HydrophobicContact CB-CD1 3.64Å; L10-F29 HydrophobicContact CB-CE1 3.99Å; L10-F29 HydrophobicContact CB-CG 4.34Å; L10-F29 WeakPolarHBondContact O-CB 3.09Å; L10-F29 WeakPolarHBondContact O-CD1 3.26Å; L10-V83 HydrophobicContact CD2-CG2 3.54Å
11L91.4Very high81.2Confident86 Ų8676.7 Ų76.745%0.4543%0.427SS..THydrogen-bonded Turntrans-53.9131.1-176.2-72.7173000110.6W8 R13 F29 V30W8-L11 WeakPolarHBondContact O-CB 3.42Å; W8-L11 WeakPolarHBondContact O-CG 3.38Å; W8-L11 PolarHBondContact O-N 3.24Å; L11-R13 PolarHBondContact O-N 2.84Å; L11-R13 VanDerWaalsContact O-N 3.12Å; L11-F29 HydrophobicContact CD2-CD1 4.09Å; L11-F29 HydrophobicContact CD2-CE1 4.01Å; L11-V30 VanDerWaalsContact CD2-O 3.3Å; L11-V30 WeakPolarHBondContact CD2-O 3.36Å
12Q90.2Very high83.5Confident106 Ų10671.6 Ų71.650%0.49540%0.401SS..THydrogen-bonded Turntrans64.46.2-178.9-52.4-64.4-67.200115.3L10 R28 F29L10-Q12 PolarHBondContact O-N 2.8Å; Q12-R28 HydrophobicContact CB-CG 4.41Å; Q12-R28 WeakPolarHBondContact O-CG 3.17Å; Q12-R28 PolarHBondContact O-NE 2.99Å; Q12-F29 PolarHBondContact N-O 2.83Å
13R91.9Very high85.8Confident133 Ų13369.4 Ų69.450%0.50238%0.377SS..  trans-81.1147.1169.6-60.5-64.8-172.3162.1-1.2110.5L10 L11 R28 F29 V83L10-R13 VanDerWaalsContact O-CB 3.22Å; L10-R13 WeakPolarHBondContact O-CB 3.38Å; L10-R13 WeakPolarHBondContact O-CG 3.2Å; L10-R13 PolarHBondContact O-N 3.28Å; L11-R13 PolarHBondContact O-N 2.84Å; L11-R13 VanDerWaalsContact O-N 3.12Å; R13-R28 WeakPolarHBondContact O-CA 3.33Å; R13-F29 PolarHBondContact O-N 2.83Å; R13-V83 HydrophobicContact CB-CG1 4.01Å; R13-V83 HydrophobicContact CG-CG1 4.34Å
14Y93.6Very high87.9Confident7 Ų762.7 Ų62.73%0.02734%0.343CS..EExtended strand (participates in β ladder)trans-73.1129.2169.9-84.2-93.7000110.6I26 G27 R28 E42 L84 D87 P89Y14-I26 HydrophobicContact CD1-CG2 3.98Å; Y14-G27 WeakPolarHBondContact CA-O 3.14Å; Y14-R28 HydrophobicContact CE1-CB 4.47Å; Y14-R28 HydrophobicContact CE2-CB 4.37Å; Y14-E42 HydrophobicContact CE1-CB 4.45Å; Y14-E42 PolarHBondContact OH-OE2 2.76Å; Y14-L84 PolarHBondContact O-N 2.72Å; Y14-D87 HydrophobicContact CD2-CB 4Å; Y14-D87 WeakPolarHBondContact CD2-OD1 3.15Å; Y14-D87 HydrophobicContact CE2-CB 3.75Å; Y14-D87 VanDerWaalsContact CE2-OD1 3.26Å; Y14-D87 WeakPolarHBondContact CE2-OD1 3.43Å; Y14-P89 HydrophobicContact CE1-CG 4.31Å
15L94.1Very high89.8Confident1 Ų159.2 Ų59.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-108.1136.9175-57.1-175.4000109.5V17 I26 G27 F29 L40 L81 K82 V83L15-V17 HydrophobicContact CB-CG2 4.11Å; L15-I26 VanDerWaalsContact O-CA 3.3Å; L15-I26 WeakPolarHBondContact O-CA 3.49Å; L15-G27 PolarHBondContact N-O 2.87Å; L15-G27 PolarHBondContact O-N 3.36Å; L15-F29 HydrophobicContact CD1-CB 3.68Å; L15-F29 HydrophobicContact CD1-CD2 3.59Å; L15-F29 HydrophobicContact CD1-CE2 4.48Å; L15-F29 HydrophobicContact CD1-CG 3.82Å; L15-F29 HydrophobicContact CG-CB 3.91Å; L15-L40 HydrophobicContact CB-CD2 4.49Å; L15-L40 HydrophobicContact CD1-CD2 4.11Å; L15-L81 HydrophobicContact CD1-CD1 4.24Å; L15-L81 HydrophobicContact CD1-CD2 4.44Å; L15-L81 HydrophobicContact CD2-CD2 4.38Å; L15-K82 CarbonylContact C-O 3.59Å; L15-K82 WeakPolarHBondContact CA-O 3.4Å; L15-V83 HydrophobicContact CD2-CG2 4.05Å
16Y94.1Very high91.5Very high36 Ų3655.6 Ų55.614%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-91.8122161.7172.6-77.5000107.8Q18 V24 I26 L81 K82Y16-Q18 HydrophobicContact CE1-CB 4Å; Y16-V24 HydrophobicContact CD1-CG1 4.39Å; Y16-V24 HydrophobicContact CD2-CG1 3.4Å; Y16-V24 HydrophobicContact CE1-CG1 4.26Å; Y16-V24 HydrophobicContact CE1-CG2 4.17Å; Y16-V24 HydrophobicContact CE2-CB 4.08Å; Y16-V24 HydrophobicContact CE2-CG1 3.25Å; Y16-V24 HydrophobicContact CE2-CG2 3.68Å; Y16-V24 HydrophobicContact CG-CG1 3.98Å; Y16-V24 WeakPolarHBondContact OH-CG2 3.38Å; Y16-I26 HydrophobicContact CD2-CD1 4.2Å; Y16-I26 HydrophobicContact CD2-CG1 4.29Å; Y16-L81 CarbonylContact O-C 3.49Å; Y16-L81 WeakPolarHBondContact O-CA 3.46Å; Y16-K82 HydrophobicContact CD1-CD 4.25Å; Y16-K82 HydrophobicContact CD1-CG 4.35Å; Y16-K82 PolarHBondContact N-O 2.98Å; Y16-K82 PolarHBondContact O-N 2.75Å
17V95.6Very high92.1Very high0 Ų053.7 Ų53.70%026%0.261CS..EExtended strand (participates in β ladder)trans-122.8109.3-177.8-173.50000109L15 L19 V24 V25 L38 L40 V73 I78 L81L15-V17 HydrophobicContact CB-CG2 4.11Å; V17-L19 HydrophobicContact CG1-CD2 4.42Å; V17-V24 CarbonylContact O-C 3.59Å; V17-V24 VanDerWaalsContact O-CA 3.3Å; V17-V24 WeakPolarHBondContact O-CA 3.3Å; V17-V25 HydrophobicContact CB-CB 4.5Å; V17-V25 WeakPolarHBondContact CB-O 3.37Å; V17-V25 PolarHBondContact N-O 3Å; V17-V25 PolarHBondContact O-N 2.98Å; V17-L38 HydrophobicContact CG2-CD1 4.05Å; V17-L40 HydrophobicContact CG2-CD1 3.94Å; V17-V73 HydrophobicContact CG1-CG1 4.16Å; V17-I78 HydrophobicContact CG1-CB 4.49Å; V17-I78 HydrophobicContact CG1-CD1 4.34Å; V17-I78 HydrophobicContact CG1-CG1 3.93Å; V17-I78 HydrophobicContact CG1-CG2 4.03Å; V17-L81 HydrophobicContact CG2-CD1 4.15Å
18Q95.3Very high92.5Very high31 Ų3151.5 Ų51.515%0.14525%0.246CC..EExtended strand (participates in β ladder)trans-85.4134.2174.5-167.2177.9-10.400109.5Y16 E22 V79 K80Y16-Q18 HydrophobicContact CE1-CB 4Å; Q18-E22 PolarHBondContact NE2-OE2 2.74Å; Q18-V79 HydrophobicContact CB-CG2 3.66Å; Q18-V79 HydrophobicContact CG-CG2 3.51Å; Q18-V79 WeakPolarHBondContact O-CG2 3.49Å; Q18-V79 PolarHBondContact O-N 2.96Å; Q18-K80 HydrophobicContact CB-CB 3.76Å; Q18-K80 PolarHBondContact N-O 3.03Å
19L95.1Very high93Very high17 Ų1743 Ų439%0.08921%0.214CC..  trans-100.1166.9175.2-57.9-175.6000110.4V17 D21 E22 R23 V25 V73V17-L19 HydrophobicContact CG1-CD2 4.42Å; L19-D21 PolarHBondContact O-N 2.68Å; L19-E22 PolarHBondContact O-N 3.34Å; L19-R23 HydrophobicContact CB-CB 4.41Å; L19-R23 WeakPolarHBondContact CB-O 3.5Å; L19-R23 HydrophobicContact CD1-CB 4.24Å; L19-R23 PolarHBondContact N-O 3.45Å; L19-V25 HydrophobicContact CD1-CG2 4.14Å; L19-V73 HydrophobicContact CD2-CG1 3.74Å
20P94.4Very high93.4Very high80 Ų8043.3 Ų43.352%0.51921%0.207SC..THydrogen-bonded Turntrans-70.9-17.1-172.8-17.334.1000113.8E22 H77 V79P20-E22 VanDerWaalsContact C-N 3.33Å; P20-H77 WeakPolarHBondContact CD-O 3.48Å; P20-H77 HydrophobicContact CG-CB 4.33Å; P20-H77 WeakPolarHBondContact CG-O 3.42Å; P20-V79 HydrophobicContact CB-CG1 4.11Å; P20-V79 HydrophobicContact CG-CG1 3.98Å
21D92.1Very high93.7Very high86 Ų8644.5 Ų44.546%0.4622%0.218SC..THydrogen-bonded Turntrans-98.926.3178.361.7-2.9000112.5L19 R23L19-D21 PolarHBondContact O-N 2.68Å; D21-R23 VanDerWaalsContact CG-NE 3.25Å; D21-R23 PolarHBondContact O-N 3.07Å; D21-R23 WeakPolarHBondContact OD1-CB 3.49Å; D21-R23 IonicContact OD1-CZ 2.93Å; D21-R23 PolarHBondContact OD1-N 2.91Å; D21-R23 IonicContact OD1-NE 3.85Å; D21-R23 PolarHBondContact OD1-NE 3.15Å; D21-R23 VanDerWaalsContact OD1-NE 3.13Å; D21-R23 IonicContact OD1-NH2 3.72Å; D21-R23 IonicContact OD2-CZ 3.27Å; D21-R23 IonicContact OD2-NE 2.75Å; D21-R23 PolarHBondContact OD2-NE 3.02Å; D21-R23 IonicContact OD2-NH2 2.68Å; D21-R23 PolarHBondContact OD2-NH2 2.72Å
22E89.5Confident93.9Very high104 Ų10442.5 Ų42.549%0.48621%0.209SC..SBendtrans62.84.1179.5-55-54.7143.900115.6Q18 L19 P20 A48Q18-E22 PolarHBondContact NE2-OE2 2.74Å; L19-E22 PolarHBondContact O-N 3.34Å; P20-E22 VanDerWaalsContact C-N 3.33Å; E22-A48 HydrophobicContact CB-CB 4.33Å
23R92.1Very high94.1Very high72 Ų7241 Ų4127%0.27220%0.204SC..EExtended strand (participates in β ladder)trans-68.6148.4167-68.7-175-67.8153.9-7.3110.4L19 D21 E45 Y46L19-R23 HydrophobicContact CB-CB 4.41Å; L19-R23 WeakPolarHBondContact CB-O 3.5Å; L19-R23 HydrophobicContact CD1-CB 4.24Å; L19-R23 PolarHBondContact N-O 3.45Å; D21-R23 VanDerWaalsContact CG-NE 3.25Å; D21-R23 PolarHBondContact O-N 3.07Å; D21-R23 WeakPolarHBondContact OD1-CB 3.49Å; D21-R23 IonicContact OD1-CZ 2.93Å; D21-R23 PolarHBondContact OD1-N 2.91Å; D21-R23 IonicContact OD1-NE 3.85Å; D21-R23 PolarHBondContact OD1-NE 3.15Å; D21-R23 VanDerWaalsContact OD1-NE 3.13Å; D21-R23 IonicContact OD1-NH2 3.72Å; D21-R23 IonicContact OD2-CZ 3.27Å; D21-R23 IonicContact OD2-NE 2.75Å; D21-R23 PolarHBondContact OD2-NE 3.02Å; D21-R23 IonicContact OD2-NH2 2.68Å; D21-R23 PolarHBondContact OD2-NH2 2.72Å; R23-E45 WeakPolarHBondContact CD-OE2 3.34Å; R23-E45 IonicContact CZ-OE2 3.12Å; R23-E45 IonicContact NE-OE2 3.83Å; R23-E45 IonicContact NH1-OE2 2.74Å; R23-E45 PolarHBondContact NH1-OE2 3.13Å; R23-Y46 CarbonylContact C-O 3.58Å; R23-Y46 WeakPolarHBondContact CA-O 3.35Å
24V93.8Very high94.3Very high2 Ų246 Ų461%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-122.2130.8175.6173.10000108.6Y16 V17 I26 E45 Y46 M62Y16-V24 HydrophobicContact CD1-CG1 4.39Å; Y16-V24 HydrophobicContact CD2-CG1 3.4Å; Y16-V24 HydrophobicContact CE1-CG1 4.26Å; Y16-V24 HydrophobicContact CE1-CG2 4.17Å; Y16-V24 HydrophobicContact CE2-CB 4.08Å; Y16-V24 HydrophobicContact CE2-CG1 3.25Å; Y16-V24 HydrophobicContact CE2-CG2 3.68Å; Y16-V24 HydrophobicContact CG-CG1 3.98Å; Y16-V24 WeakPolarHBondContact OH-CG2 3.38Å; V17-V24 CarbonylContact O-C 3.59Å; V17-V24 VanDerWaalsContact O-CA 3.3Å; V17-V24 WeakPolarHBondContact O-CA 3.3Å; V24-I26 HydrophobicContact CG1-CD1 4.36Å; V24-I26 HydrophobicContact CG1-CG1 3.8Å; V24-E45 CarbonylContact O-C 3.59Å; V24-E45 VanDerWaalsContact O-CA 3.31Å; V24-E45 WeakPolarHBondContact O-CA 3.28Å; V24-Y46 PolarHBondContact N-O 2.76Å; V24-Y46 PolarHBondContact O-N 3.43Å; V24-M62 HydrophobicContact CB-CE 3.58Å; V24-M62 HydrophobicContact CG2-CE 3.32Å; V24-M62 HydrophobicContact CG2-SD 4.42Å
25V94.6Very high94.4Very high6 Ų651.1 Ų51.14%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-104.6124.2166.4-177.40000108.1V17 L19 L40 C43V17-V25 HydrophobicContact CB-CB 4.5Å; V17-V25 WeakPolarHBondContact CB-O 3.37Å; V17-V25 PolarHBondContact N-O 3Å; V17-V25 PolarHBondContact O-N 2.98Å; L19-V25 HydrophobicContact CD1-CG2 4.14Å; V25-L40 HydrophobicContact CG1-CD1 4.06Å; V25-C43 HydrophobicContact CG1-CB 4.31Å
26I94.4Very high94.5Very high4 Ų454.7 Ų54.72%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-108.1125170.1-57-176.5000107.9Y14 L15 Y16 V24 C43 T44 Y46 L84 F92Y14-I26 HydrophobicContact CD1-CG2 3.98Å; L15-I26 VanDerWaalsContact O-CA 3.3Å; L15-I26 WeakPolarHBondContact O-CA 3.49Å; Y16-I26 HydrophobicContact CD2-CD1 4.2Å; Y16-I26 HydrophobicContact CD2-CG1 4.29Å; V24-I26 HydrophobicContact CG1-CD1 4.36Å; V24-I26 HydrophobicContact CG1-CG1 3.8Å; I26-C43 CarbonylContact O-C 3.49Å; I26-C43 WeakPolarHBondContact O-CA 3.41Å; I26-T44 PolarHBondContact N-O 2.83Å; I26-T44 PolarHBondContact O-N 3.17Å; I26-Y46 HydrophobicContact CB-CE2 3.96Å; I26-Y46 HydrophobicContact CD1-CD2 4.04Å; I26-Y46 HydrophobicContact CD1-CE2 3.68Å; I26-Y46 HydrophobicContact CG1-CD2 4.04Å; I26-Y46 HydrophobicContact CG1-CE2 3.83Å; I26-L84 HydrophobicContact CD1-CD1 4.2Å; I26-L84 HydrophobicContact CG2-CD1 3.67Å; I26-F92 HydrophobicContact CD1-CD2 3.95Å; I26-F92 HydrophobicContact CD1-CE2 3.17Å; I26-F92 HydrophobicContact CD1-CZ 3.72Å
27G94.4Very high94.6Very high0 Ų054.4 Ų54.40%028%0.277CS..EExtended strand (participates in β ladder)trans-162163179.600000111.9Y14 L15 S41Y14-G27 WeakPolarHBondContact CA-O 3.14Å; L15-G27 PolarHBondContact N-O 2.87Å; L15-G27 PolarHBondContact O-N 3.36Å; G27-S41 CarbonylContact C-O 3.52Å; G27-S41 WeakPolarHBondContact CA-O 3.42Å
28R94.7Very high94.7Very high49 Ų4954.9 Ų54.919%0.18528%0.279CS..EExtended strand (participates in β ladder)trans-79.9128.5179.4175.2171.6-90.7153.6-7.1110.4Q12 R13 Y14 V30 L40 S41 E42 D87Q12-R28 HydrophobicContact CB-CG 4.41Å; Q12-R28 WeakPolarHBondContact O-CG 3.17Å; Q12-R28 PolarHBondContact O-NE 2.99Å; R13-R28 WeakPolarHBondContact O-CA 3.33Å; Y14-R28 HydrophobicContact CE1-CB 4.47Å; Y14-R28 HydrophobicContact CE2-CB 4.37Å; R28-V30 PolarHBondContact O-N 2.94Å; R28-L40 CarbonylContact O-C 3.55Å; R28-L40 VanDerWaalsContact O-CA 3.27Å; R28-L40 WeakPolarHBondContact O-CA 3.3Å; R28-S41 WeakPolarHBondContact CB-OG 3.38Å; R28-S41 PolarHBondContact N-O 3.13Å; R28-S41 PolarHBondContact O-N 3.37Å; R28-E42 IonicContact CZ-OE1 2.75Å; R28-E42 IonicContact NE-OE1 3.51Å; R28-E42 IonicContact NH1-OE1 3.95Å; R28-E42 PolarHBondContact NH1-OE1 2.85Å; R28-E42 IonicContact NH1-OE2 3.9Å; R28-D87 IonicContact CZ-OD1 2.9Å; R28-D87 IonicContact NH2-OD1 3.7Å; R28-D87 PolarHBondContact NH2-OD1 2.95Å; R28-D87 IonicContact NH2-OD2 3.69Å
29F95.1Very high94.8Very high5 Ų554.8 Ų54.82%0.02228%0.28CS..EExtended strand (participates in β ladder)trans-68.1121.1-177.6-176.4-120.6000112L10 L11 Q12 R13 L15 C31 V32 L38 L40L10-F29 VanDerWaalsContact C-CD1 3.49Å; L10-F29 HydrophobicContact CB-CD1 3.64Å; L10-F29 HydrophobicContact CB-CE1 3.99Å; L10-F29 HydrophobicContact CB-CG 4.34Å; L10-F29 WeakPolarHBondContact O-CB 3.09Å; L10-F29 WeakPolarHBondContact O-CD1 3.26Å; L11-F29 HydrophobicContact CD2-CD1 4.09Å; L11-F29 HydrophobicContact CD2-CE1 4.01Å; Q12-F29 PolarHBondContact N-O 2.83Å; R13-F29 PolarHBondContact O-N 2.83Å; L15-F29 HydrophobicContact CD1-CB 3.68Å; L15-F29 HydrophobicContact CD1-CD2 3.59Å; L15-F29 HydrophobicContact CD1-CE2 4.48Å; L15-F29 HydrophobicContact CD1-CG 3.82Å; L15-F29 HydrophobicContact CG-CB 3.91Å; F29-C31 VanDerWaalsContact CE2-C 3.48Å; F29-C31 VanDerWaalsContact CE2-O 3.28Å; F29-C31 WeakPolarHBondContact CE2-O 3.44Å; F29-V32 HydrophobicContact CE2-CB 3.91Å; F29-V32 HydrophobicContact CE2-CG1 4.29Å; F29-V32 HydrophobicContact CZ-CB 3.9Å; F29-V32 HydrophobicContact CZ-CG1 3.76Å; F29-L38 HydrophobicContact CD2-CD2 4.26Å; F29-L38 HydrophobicContact CE2-CD2 3.74Å; F29-L40 HydrophobicContact CD2-CD2 4.39Å
30V95.7Very high94.8Very high48 Ų4854 Ų5429%0.29128%0.276SS..EExtended strand (participates in β ladder)trans-103.4-58.1177.7-179.70000110.3L11 R28 V39 F70L11-V30 VanDerWaalsContact CD2-O 3.3Å; L11-V30 WeakPolarHBondContact CD2-O 3.36Å; R28-V30 PolarHBondContact O-N 2.94Å; V30-V39 HydrophobicContact CB-CB 4.41Å; V30-V39 HydrophobicContact CB-CG1 4.13Å; V30-V39 WeakPolarHBondContact CB-O 3.35Å; V30-V39 HydrophobicContact CG1-CG1 4.41Å; V30-V39 PolarHBondContact N-O 2.93Å; V30-F70 HydrophobicContact CG2-CE2 4.4Å
31C95.2Very high94.9Very high61 Ų6151.2 Ų51.241%0.41226%0.259SS..EExtended strand (participates in β ladder)trans-157.6170.5178.565.50000112.1F29 V39F29-C31 VanDerWaalsContact CE2-C 3.48Å; F29-C31 VanDerWaalsContact CE2-O 3.28Å; F29-C31 WeakPolarHBondContact CE2-O 3.44Å; C31-V39 PolarHBondContact N-O 3.28Å; C31-V39 PolarHBondContact O-N 2.94Å; C31-V39 VanDerWaalsContact SG-CB 3.53Å; C31-V39 VanDerWaalsContact SG-CG2 3.58Å
32V95.4Very high94.9Very high44 Ų4450.7 Ų50.727%0.26725%0.254SS..EExtended strand (participates in β ladder)trans-142143.7174.363.80000108.9L7 F29 N37 L38L7-V32 HydrophobicContact CD1-CG1 3.85Å; F29-V32 HydrophobicContact CE2-CB 3.91Å; F29-V32 HydrophobicContact CE2-CG1 4.29Å; F29-V32 HydrophobicContact CZ-CB 3.9Å; F29-V32 HydrophobicContact CZ-CG1 3.76Å; V32-N37 VanDerWaalsContact CA-O 3.32Å; V32-N37 WeakPolarHBondContact CA-O 3.45Å; V32-L38 HydrophobicContact CB-CD2 3.89Å; V32-L38 HydrophobicContact CG2-CD2 3.7Å
33D95.8Very high95.1Very high75 Ų7545.8 Ų45.840%0.40123%0.23SC..  trans-97.6-172.2173.472.811.5000112.4D35 C36 N37D33-D35 VanDerWaalsContact C-N 3.29Å; D33-D35 PolarHBondContact O-N 3.33Å; D33-D35 PolarHBondContact OD1-N 3.24Å; D33-C36 PolarHBondContact O-N 3.36Å; D33-C36 PolarHBondContact OD1-N 2.88Å; D33-N37 PolarHBondContact N-O 2.93Å; D33-N37 WeakPolarHBondContact OD1-CB 3.45Å; D33-N37 PolarHBondContact OD1-N 2.75Å; D33-N37 PolarHBondContact OD1-ND2 3.39Å; D33-N37 WeakPolarHBondContact OD2-CB 3.31Å; D33-N37 PolarHBondContact OD2-ND2 3.24Å
34R95.3Very high95.2Very high237 Ų23742.8 Ų42.889%0.89422%0.22SC*.THydrogen-bonded Turntrans-66.8-29.2-178.9-174.6-178.3-68152.7-1.1113.1C36R34-C36 PolarHBondContact O-N 2.88Å
35D96.7Very high95.2Very high115 Ų11543 Ų4362%0.61522%0.221SC*.THydrogen-bonded Turntrans-90.414.6-178.3-60.1-38.3000111.7D33 N37D33-D35 VanDerWaalsContact C-N 3.29Å; D33-D35 PolarHBondContact O-N 3.33Å; D33-D35 PolarHBondContact OD1-N 3.24Å; D35-N37 PolarHBondContact O-N 2.87Å
36C95.1Very high95.1Very high77 Ų7743 Ų4352%0.5222%0.22SC..  trans60.223-176.4-56.90000113.6D33 R34 L38 G75D33-C36 PolarHBondContact O-N 3.36Å; D33-C36 PolarHBondContact OD1-N 2.88Å; R34-C36 PolarHBondContact O-N 2.88Å; C36-L38 PolarHBondContact O-N 2.79Å; C36-G75 WeakPolarHBondContact O-CA 3.3Å
37N97.3Very high94.7Very high30 Ų3044.2 Ų44.216%0.1623%0.23CC..  trans-69.6125.1171.7-55-45.5000108.8V32 D33 D35 H72 V73 P74 G75V32-N37 VanDerWaalsContact CA-O 3.32Å; V32-N37 WeakPolarHBondContact CA-O 3.45Å; D33-N37 PolarHBondContact N-O 2.93Å; D33-N37 WeakPolarHBondContact OD1-CB 3.45Å; D33-N37 PolarHBondContact OD1-N 2.75Å; D33-N37 PolarHBondContact OD1-ND2 3.39Å; D33-N37 WeakPolarHBondContact OD2-CB 3.31Å; D33-N37 PolarHBondContact OD2-ND2 3.24Å; D35-N37 PolarHBondContact O-N 2.87Å; N37-H72 WeakPolarHBondContact CB-NE2 3.42Å; N37-V73 CarbonylContact C-O 3.54Å; N37-V73 WeakPolarHBondContact CA-O 3.32Å; N37-P74 VanDerWaalsContact OD1-CA 3.26Å; N37-P74 WeakPolarHBondContact OD1-CA 3.44Å; N37-G75 PolarHBondContact OD1-N 3.19Å
38L97.1Very high93.9Very high10 Ų1046.1 Ų46.15%0.05225%0.245CC..EExtended strand (participates in β ladder)trans-96.2139.9-177.8-62.2177.7000110.8V17 F29 V32 C36 L40 H72 V73 I78 L81V17-L38 HydrophobicContact CG2-CD1 4.05Å; F29-L38 HydrophobicContact CD2-CD2 4.26Å; F29-L38 HydrophobicContact CE2-CD2 3.74Å; V32-L38 HydrophobicContact CB-CD2 3.89Å; V32-L38 HydrophobicContact CG2-CD2 3.7Å; C36-L38 PolarHBondContact O-N 2.79Å; L38-L40 HydrophobicContact CB-CG 4.42Å; L38-H72 CarbonylContact O-C 3.57Å; L38-H72 WeakPolarHBondContact O-CA 3.45Å; L38-V73 HydrophobicContact CB-CB 4.35Å; L38-V73 PolarHBondContact N-O 2.78Å; L38-V73 PolarHBondContact O-N 3.44Å; L38-I78 HydrophobicContact CD1-CD1 3.41Å; L38-I78 VanDerWaalsContact CD1-CD1 3.41Å; L38-I78 HydrophobicContact CG-CD1 3.67Å; L38-L81 HydrophobicContact CD1-CD1 3.47Å; L38-L81 VanDerWaalsContact CD1-CD1 3.47Å
39V96.9Very high92.7Very high28 Ų2848.8 Ų48.817%0.1726%0.26CS..EExtended strand (participates in β ladder)trans-109.8124.4163.4-1790000108.5V30 C31 F70V30-V39 HydrophobicContact CB-CB 4.41Å; V30-V39 HydrophobicContact CB-CG1 4.13Å; V30-V39 WeakPolarHBondContact CB-O 3.35Å; V30-V39 HydrophobicContact CG1-CG1 4.41Å; V30-V39 PolarHBondContact N-O 2.93Å; C31-V39 PolarHBondContact N-O 3.28Å; C31-V39 PolarHBondContact O-N 2.94Å; C31-V39 VanDerWaalsContact SG-CB 3.53Å; C31-V39 VanDerWaalsContact SG-CG2 3.58Å; V39-F70 HydrophobicContact CG1-CD1 4.27Å; V39-F70 HydrophobicContact CG1-CE1 3.23Å; V39-F70 HydrophobicContact CG1-CE2 4Å; V39-F70 HydrophobicContact CG1-CZ 3.07Å
40L96.2Very high91.1Very high0 Ų057.3 Ų57.30%030%0.3CS..EExtended strand (participates in β ladder)trans-123.3140.8-177.8-59.4179000110.3L15 V17 V25 R28 F29 L38 C43 F70 G71 V73L15-L40 HydrophobicContact CB-CD2 4.49Å; L15-L40 HydrophobicContact CD1-CD2 4.11Å; V17-L40 HydrophobicContact CG2-CD1 3.94Å; V25-L40 HydrophobicContact CG1-CD1 4.06Å; R28-L40 CarbonylContact O-C 3.55Å; R28-L40 VanDerWaalsContact O-CA 3.27Å; R28-L40 WeakPolarHBondContact O-CA 3.3Å; F29-L40 HydrophobicContact CD2-CD2 4.39Å; L38-L40 HydrophobicContact CB-CG 4.42Å; L40-C43 WeakPolarHBondContact CB-SG 3.37Å; L40-C43 PolarHBondContact O-SG 2.84Å; L40-F70 WeakPolarHBondContact O-CA 3Å; L40-F70 WeakPolarHBondContact O-CD2 3.48Å; L40-G71 PolarHBondContact N-O 3.09Å; L40-G71 PolarHBondContact O-N 2.82Å; L40-V73 HydrophobicContact CD1-CG2 4.36Å
41S95Very high89.4Confident22 Ų2257.1 Ų57.115%0.15430%0.3CS..EExtended strand (participates in β ladder)trans-105.1167.5168.865.40000111.2G27 R28 C43 N69G27-S41 CarbonylContact C-O 3.52Å; G27-S41 WeakPolarHBondContact CA-O 3.42Å; R28-S41 WeakPolarHBondContact CB-OG 3.38Å; R28-S41 PolarHBondContact N-O 3.13Å; R28-S41 PolarHBondContact O-N 3.37Å; S41-C43 PolarHBondContact O-N 2.8Å; S41-C43 VanDerWaalsContact O-N 3.14Å; S41-N69 CarbonylContact C-O 3.29Å; S41-N69 VanDerWaalsContact C-O 3.29Å
42E93.3Very high87.6Confident76 Ų7660.2 Ų60.236%0.35532%0.32SS..EExtended strand (participates in β ladder)trans52.834.7-178.6-63.1164.8-10800113.1Y14 R28 N69Y14-E42 HydrophobicContact CE1-CB 4.45Å; Y14-E42 PolarHBondContact OH-OE2 2.76Å; R28-E42 IonicContact CZ-OE1 2.75Å; R28-E42 IonicContact NE-OE1 3.51Å; R28-E42 IonicContact NH1-OE1 3.95Å; R28-E42 PolarHBondContact NH1-OE1 2.85Å; R28-E42 IonicContact NH1-OE2 3.9Å; E42-N69 WeakPolarHBondContact CA-O 3.22Å; E42-N69 PolarHBondContact N-O 2.86Å
43C93.8Very high85.8Confident0 Ų064.7 Ų64.70%034%0.342CS..EExtended strand (participates in β ladder)trans-70.8132.2-170.1-68.60000112.9V25 I26 L40 S41 F67 L68 N69 G71V25-C43 HydrophobicContact CG1-CB 4.31Å; I26-C43 CarbonylContact O-C 3.49Å; I26-C43 WeakPolarHBondContact O-CA 3.41Å; L40-C43 WeakPolarHBondContact CB-SG 3.37Å; L40-C43 PolarHBondContact O-SG 2.84Å; S41-C43 PolarHBondContact O-N 2.8Å; S41-C43 VanDerWaalsContact O-N 3.14Å; C43-F67 WeakPolarHBondContact O-CD2 3.32Å; C43-L68 HydrophobicContact CB-CB 3.82Å; C43-L68 PolarHBondContact O-N 3.27Å; C43-N69 PolarHBondContact N-O 2.93Å; C43-N69 PolarHBondContact O-N 2.94Å; C43-G71 PolarHBondContact SG-N 3.41Å
44T93.4Very high83.8Confident10 Ų1063.4 Ų63.46%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-127.2130.6167.4-59.70000109.8I26 Y46 K64 R66I26-T44 PolarHBondContact N-O 2.83Å; I26-T44 PolarHBondContact O-N 3.17Å; T44-Y46 HydrophobicContact CG2-CD2 4.19Å; T44-Y46 HydrophobicContact CG2-CE1 4.4Å; T44-Y46 HydrophobicContact CG2-CE2 3.51Å; T44-K64 HydrophobicContact CG2-CD 3.68Å; T44-K64 VanDerWaalsContact CG2-CE 3.47Å; T44-K64 HydrophobicContact CG2-CG 3.57Å; T44-R66 CarbonylContact C-O 3.58Å; T44-R66 WeakPolarHBondContact CA-O 3.31Å
45E93.1Very high81.7Confident7 Ų759.3 Ų59.33%0.03334%0.338CS..EExtended strand (participates in β ladder)trans-89.6141.7171-172.2-172.87400110.4R23 V24 T65 R66 L68R23-E45 WeakPolarHBondContact CD-OE2 3.34Å; R23-E45 IonicContact CZ-OE2 3.12Å; R23-E45 IonicContact NE-OE2 3.83Å; R23-E45 IonicContact NH1-OE2 2.74Å; R23-E45 PolarHBondContact NH1-OE2 3.13Å; V24-E45 CarbonylContact O-C 3.59Å; V24-E45 VanDerWaalsContact O-CA 3.31Å; V24-E45 WeakPolarHBondContact O-CA 3.28Å; E45-T65 WeakPolarHBondContact CG-OG1 3.27Å; E45-T65 PolarHBondContact O-N 3.01Å; E45-T65 PolarHBondContact O-OG1 3.1Å; E45-T65 VanDerWaalsContact O-OG1 3.13Å; E45-T65 PolarHBondContact OE1-OG1 3.19Å; E45-R66 HydrophobicContact CB-CB 4.25Å; E45-R66 PolarHBondContact N-O 2.89Å; E45-R66 PolarHBondContact O-N 3.38Å; E45-R66 IonicContact OE1-CZ 3.68Å; E45-R66 VanDerWaalsContact OE1-CZ 3.27Å; E45-R66 IonicContact OE1-NE 3.68Å; E45-R66 PolarHBondContact OE1-NE 2.94Å; E45-R66 IonicContact OE1-NH2 3.91Å; E45-R66 PolarHBondContact OE1-NH2 2.99Å; E45-R66 IonicContact OE2-CZ 3.13Å; E45-R66 IonicContact OE2-NE 2.79Å; E45-R66 IonicContact OE2-NH2 2.72Å; E45-R66 PolarHBondContact OE2-NH2 3.26Å; E45-L68 HydrophobicContact CB-CD1 4.27Å
46Y92.5Very high79.4Confident4 Ų462.7 Ų62.72%0.01635%0.35CS..EExtended strand (participates in β ladder)trans-128.3146.5173.5-57.8-102.4000109.3R23 V24 I26 T44 M62 E63 K64 F92R23-Y46 CarbonylContact C-O 3.58Å; R23-Y46 WeakPolarHBondContact CA-O 3.35Å; V24-Y46 PolarHBondContact N-O 2.76Å; V24-Y46 PolarHBondContact O-N 3.43Å; I26-Y46 HydrophobicContact CB-CE2 3.96Å; I26-Y46 HydrophobicContact CD1-CD2 4.04Å; I26-Y46 HydrophobicContact CD1-CE2 3.68Å; I26-Y46 HydrophobicContact CG1-CD2 4.04Å; I26-Y46 HydrophobicContact CG1-CE2 3.83Å; T44-Y46 HydrophobicContact CG2-CD2 4.19Å; T44-Y46 HydrophobicContact CG2-CE1 4.4Å; T44-Y46 HydrophobicContact CG2-CE2 3.51Å; Y46-M62 HydrophobicContact CD1-CB 4.41Å; Y46-E63 CarbonylContact C-O 3.57Å; Y46-E63 WeakPolarHBondContact CA-O 3.23Å; Y46-E63 WeakPolarHBondContact CB-O 3.33Å; Y46-K64 HydrophobicContact CD1-CB 4Å; Y46-K64 HydrophobicContact CE1-CB 3.82Å; Y46-K64 HydrophobicContact CE1-CG 4.4Å; Y46-F92 HydrophobicContact CE1-CB 3.86Å; Y46-F92 HydrophobicContact CE1-CD2 4Å; Y46-F92 HydrophobicContact CE1-CG 4.06Å; Y46-F92 AromaticContact CZ-CD2 3.99Å
47S87.6Confident77Confident31 Ų3165 Ų6522%0.21736%0.362CS..EExtended strand (participates in β ladder)trans-112.8138.5170.1-70.60000109.6Q49 E63 T65S47-Q49 PolarHBondContact O-N 3.35Å; S47-E63 PolarHBondContact N-O 2.83Å; S47-E63 PolarHBondContact O-N 3.35Å; S47-T65 WeakPolarHBondContact OG-CG2 3.22Å
48A76.5Confident74.8Confident39 Ų3971.6 Ų71.632%0.32240%0.397SS..EExtended strand (participates in β ladder)trans-66.6121.5165.400000108.6E22 I60 M62E22-A48 HydrophobicContact CB-CB 4.33Å; A48-I60 HydrophobicContact CB-CG2 3.57Å; A48-M62 HydrophobicContact CB-SD 4.05Å
49Q69.2Low72.6Confident105 Ų10572.3 Ų72.349%0.49141%0.407SS..EExtended strand (participates in β ladder)trans-109.5136.8163.4-68.3-154.4-4.300109.4S47 S51 V61 E63S47-Q49 PolarHBondContact O-N 3.35Å; Q49-S51 PolarHBondContact O-N 2.88Å; Q49-S51 VanDerWaalsContact O-N 3.14Å; Q49-V61 PolarHBondContact N-O 3.23Å; Q49-V61 PolarHBondContact O-N 2.93Å; Q49-E63 VanDerWaalsContact CD-OE2 3.3Å; Q49-E63 PolarHBondContact NE2-OE2 2.95Å
50E63Low70.9Confident184 Ų18476.5 Ų76.586%0.8643%0.427SS*.EExtended strand (participates in β ladder)trans-63.2113.6164.6-70.5-176.8175.400107.4P52E50-P52 VanDerWaalsContact O-CD 3.26Å; E50-P52 WeakPolarHBondContact O-CD 3.41Å
51S59.4Low69.6Low44 Ų4480.1 Ų80.131%0.30845%0.449SS..  trans-70.9119.6175.8-139.70000107.9Q49 N53 A54 G59 V61Q49-S51 PolarHBondContact O-N 2.88Å; Q49-S51 VanDerWaalsContact O-N 3.14Å; S51-N53 PolarHBondContact O-N 2.86Å; S51-A54 WeakPolarHBondContact O-CB 3.43Å; S51-A54 PolarHBondContact O-N 3.48Å; S51-A54 VanDerWaalsContact O-N 3.1Å; S51-G59 WeakPolarHBondContact CB-O 3.47Å; S51-V61 WeakPolarHBondContact OG-CG2 3.47Å
52P57Low68.7Low126 Ų12680.7 Ų80.782%0.81845%0.45SS*.THydrogen-bonded Turntrans-62.9-9.3-17821.2-29.7000113.3E50E50-P52 VanDerWaalsContact O-CD 3.26Å; E50-P52 WeakPolarHBondContact O-CD 3.41Å
53N57.4Low68.1Low139 Ų13981.7 Ų81.774%0.74345%0.454SS*.THydrogen-bonded Turntrans-113.520.8179.8-64.1-23.5000113.8S51 N55S51-N53 PolarHBondContact O-N 2.86Å; N53-N55 PolarHBondContact O-N 3.19Å
54A54.6Low67.5Low47 Ų4786.5 Ų86.539%0.38848%0.475SS..  trans-72.349.7-176.200000114.5S51 Q56S51-A54 WeakPolarHBondContact O-CB 3.43Å; S51-A54 PolarHBondContact O-N 3.48Å; S51-A54 VanDerWaalsContact O-N 3.1Å; A54-Q56 VanDerWaalsContact C-N 3.27Å; A54-Q56 PolarHBondContact O-N 2.98Å
55N50.3Low67.1Low152 Ų15288.7 Ų88.781%0.81349%0.489SS*.SBendtrans-84.828.4177.7-80.8-11.1000113.9N53N53-N55 PolarHBondContact O-N 3.19Å
56Q48.5Very low66.9Low185 Ų18594.4 Ų94.486%0.86451%0.51SS*.SBendtrans-157.9-16.4173.6-118.8149.618.200120.7A54A54-Q56 VanDerWaalsContact C-N 3.27Å; A54-Q56 PolarHBondContact O-N 2.98Å
57T44.2Very low66.9Low125 Ų125100.1 Ų100.177%0.76754%0.536SS*.SBendtrans-162.687.5178.728.90000111.6G59T57-G59 WeakPolarHBondContact O-CA 3.26Å; T57-G59 PolarHBondContact O-N 2.84Å
58N52.4Low67.1Low169 Ų169101.8 Ų101.890%0.90454%0.541SS*.  trans33.745.3171-721000115I60N58-I60 VanDerWaalsContact C-N 3.32Å; N58-I60 PolarHBondContact O-N 3.14Å
59G50.7Low67.8Low26 Ų26104.4 Ų104.427%0.26855%0.55SS.*  trans-76.566.7-150.600000115.7S51 T57 V61S51-G59 WeakPolarHBondContact CB-O 3.47Å; T57-G59 WeakPolarHBondContact O-CA 3.26Å; T57-G59 PolarHBondContact O-N 2.84Å; G59-V61 PolarHBondContact O-N 2.98Å
60I60.7Low69Low116 Ų116105.5 Ų105.560%0.59555%0.554SS**EExtended strand (participates in β ladder)trans-76.4110.9165.3-59.7176.3000107.4A48 N58 M62A48-I60 HydrophobicContact CB-CG2 3.57Å; N58-I60 VanDerWaalsContact C-N 3.32Å; N58-I60 PolarHBondContact O-N 3.14Å; I60-M62 HydrophobicContact CG2-SD 4.1Å
61V69.5Low70.5Confident76 Ų7697.1 Ų97.146%0.46152%0.517SS..EExtended strand (participates in β ladder)trans-90.5124.9170.7177.50000107.4Q49 S51 G59Q49-V61 PolarHBondContact N-O 3.23Å; Q49-V61 PolarHBondContact O-N 2.93Å; S51-V61 WeakPolarHBondContact OG-CG2 3.47Å; G59-V61 PolarHBondContact O-N 2.98Å
62M74.9Confident72.2Confident33 Ų33100.8 Ų100.816%0.16353%0.529CS..EExtended strand (participates in β ladder)trans-87109174.5-64.1-60.6-56.900108.4V24 Y46 A48 I60 F92V24-M62 HydrophobicContact CB-CE 3.58Å; V24-M62 HydrophobicContact CG2-CE 3.32Å; V24-M62 HydrophobicContact CG2-SD 4.42Å; Y46-M62 HydrophobicContact CD1-CB 4.41Å; A48-M62 HydrophobicContact CB-SD 4.05Å; I60-M62 HydrophobicContact CG2-SD 4.1Å; M62-F92 HydrophobicContact CB-CD1 4.28Å
63E81.7Confident74.1Confident97 Ų9795.3 Ų95.345%0.45349%0.493SS..EExtended strand (participates in β ladder)trans-91133175.7-171.2179.9-165.900109.8Y46 S47 Q49 T65Y46-E63 CarbonylContact C-O 3.57Å; Y46-E63 WeakPolarHBondContact CA-O 3.23Å; Y46-E63 WeakPolarHBondContact CB-O 3.33Å; S47-E63 PolarHBondContact N-O 2.83Å; S47-E63 PolarHBondContact O-N 3.35Å; Q49-E63 VanDerWaalsContact CD-OE2 3.3Å; Q49-E63 PolarHBondContact NE2-OE2 2.95Å; E63-T65 PolarHBondContact O-N 2.81Å
64K80.4Confident76Confident101 Ų10190.5 Ų90.544%0.43947%0.469SS..EExtended strand (participates in β ladder)trans-68.5117.7173.6176.4170.3176.7173.10109.4T44 Y46T44-K64 HydrophobicContact CG2-CD 3.68Å; T44-K64 VanDerWaalsContact CG2-CE 3.47Å; T44-K64 HydrophobicContact CG2-CG 3.57Å; Y46-K64 HydrophobicContact CD1-CB 4Å; Y46-K64 HydrophobicContact CE1-CB 3.82Å; Y46-K64 HydrophobicContact CE1-CG 4.4Å
65T84.5Confident78.1Confident57 Ų5788.8 Ų88.835%0.3546%0.456SS..EExtended strand (participates in β ladder)trans-98.7-49.9-178.555.60000112.4E45 S47 E63E45-T65 WeakPolarHBondContact CG-OG1 3.27Å; E45-T65 PolarHBondContact O-N 3.01Å; E45-T65 PolarHBondContact O-OG1 3.1Å; E45-T65 VanDerWaalsContact O-OG1 3.13Å; E45-T65 PolarHBondContact OE1-OG1 3.19Å; S47-T65 WeakPolarHBondContact OG-CG2 3.22Å; E63-T65 PolarHBondContact O-N 2.81Å
66R90.7Very high80.3Confident126 Ų12691.7 Ų91.748%0.47546%0.456SS..EExtended strand (participates in β ladder)trans-143.7134.5-171.3-65.3-173.6-70.9179.7-2.4112.5T44 E45 L68T44-R66 CarbonylContact C-O 3.58Å; T44-R66 WeakPolarHBondContact CA-O 3.31Å; E45-R66 HydrophobicContact CB-CB 4.25Å; E45-R66 PolarHBondContact N-O 2.89Å; E45-R66 PolarHBondContact O-N 3.38Å; E45-R66 IonicContact OE1-CZ 3.68Å; E45-R66 VanDerWaalsContact OE1-CZ 3.27Å; E45-R66 IonicContact OE1-NE 3.68Å; E45-R66 PolarHBondContact OE1-NE 2.94Å; E45-R66 IonicContact OE1-NH2 3.91Å; E45-R66 PolarHBondContact OE1-NH2 2.99Å; E45-R66 IonicContact OE2-CZ 3.13Å; E45-R66 IonicContact OE2-NE 2.79Å; E45-R66 IonicContact OE2-NH2 2.72Å; E45-R66 PolarHBondContact OE2-NH2 3.26Å; R66-L68 HydrophobicContact CB-CD2 4.07Å
67F91.2Very high82.6Confident125 Ų12586.3 Ų86.355%0.54843%0.431SS..EExtended strand (participates in β ladder)trans-85.8119.3162.2-179.6-113.1000108.8C43 N69C43-F67 WeakPolarHBondContact O-CD2 3.32Å; F67-N69 HydrophobicContact CD1-CB 4.36Å; F67-N69 HydrophobicContact CE1-CB 3.59Å; F67-N69 HydrophobicContact CE2-CB 4.48Å; F67-N69 HydrophobicContact CZ-CB 3.66Å
68L92.7Very high85.2Confident65 Ų6582.4 Ų82.434%0.3440%0.404SS..EExtended strand (participates in β ladder)trans-100.1-22.1-177.8-57.5178.1000112.1C43 E45 R66 F70C43-L68 HydrophobicContact CB-CB 3.82Å; C43-L68 PolarHBondContact O-N 3.27Å; E45-L68 HydrophobicContact CB-CD1 4.27Å; R66-L68 HydrophobicContact CB-CD2 4.07Å; L68-F70 PolarHBondContact O-N 3.28Å
69N91.4Very high87.3Confident94 Ų9478.3 Ų78.350%0.50339%0.386SS..EExtended strand (participates in β ladder)trans63.3-59.7-171.1-162.420.3000113.5S41 E42 C43 F67S41-N69 CarbonylContact C-O 3.29Å; S41-N69 VanDerWaalsContact C-O 3.29Å; E42-N69 WeakPolarHBondContact CA-O 3.22Å; E42-N69 PolarHBondContact N-O 2.86Å; C43-N69 PolarHBondContact N-O 2.93Å; C43-N69 PolarHBondContact O-N 2.94Å; F67-N69 HydrophobicContact CD1-CB 4.36Å; F67-N69 HydrophobicContact CE1-CB 3.59Å; F67-N69 HydrophobicContact CE2-CB 4.48Å; F67-N69 HydrophobicContact CZ-CB 3.66Å
70F93.9Very high89.4Confident129 Ų12981.8 Ų81.857%0.56639%0.393SS*.EExtended strand (participates in β ladder)trans-126.9134.5177.3-153.2-100.2000110.3V30 V39 L40 L68V30-F70 HydrophobicContact CG2-CE2 4.4Å; V39-F70 HydrophobicContact CG1-CD1 4.27Å; V39-F70 HydrophobicContact CG1-CE1 3.23Å; V39-F70 HydrophobicContact CG1-CE2 4Å; V39-F70 HydrophobicContact CG1-CZ 3.07Å; L40-F70 WeakPolarHBondContact O-CA 3Å; L40-F70 WeakPolarHBondContact O-CD2 3.48Å; L68-F70 PolarHBondContact O-N 3.28Å
71G93.9Very high91Very high8 Ų879.8 Ų79.88%0.08238%0.383CS..EExtended strand (participates in β ladder)trans-134.3130.7-173.800000112.2L40 C43L40-G71 PolarHBondContact N-O 3.09Å; L40-G71 PolarHBondContact O-N 2.82Å; C43-G71 PolarHBondContact SG-N 3.41Å
72H95.5Very high92.1Very high121 Ų12180.8 Ų80.856%0.5638%0.381SS*.EExtended strand (participates in β ladder)trans-103.7115.1166.3179.1-127.6000108.8N37 L38N37-H72 WeakPolarHBondContact CB-NE2 3.42Å; L38-H72 CarbonylContact O-C 3.57Å; L38-H72 WeakPolarHBondContact O-CA 3.45Å
73V96.7Very high92.9Very high10 Ų1082.6 Ų82.66%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-108.7113.6-179.6-174.10000108.9V17 L19 N37 L38 L40 G75 I78V17-V73 HydrophobicContact CG1-CG1 4.16Å; L19-V73 HydrophobicContact CD2-CG1 3.74Å; N37-V73 CarbonylContact C-O 3.54Å; N37-V73 WeakPolarHBondContact CA-O 3.32Å; L38-V73 HydrophobicContact CB-CB 4.35Å; L38-V73 PolarHBondContact N-O 2.78Å; L38-V73 PolarHBondContact O-N 3.44Å; L40-V73 HydrophobicContact CD1-CG2 4.36Å; V73-G75 PolarHBondContact O-N 3.44Å; V73-I78 HydrophobicContact CG1-CD1 4.21Å; V73-I78 HydrophobicContact CG1-CG1 3.75Å
74P97.9Very high93.4Very high38 Ų3879.5 Ų79.525%0.24738%0.38CS..  trans-60.4130175.8-24.434.6000111.2N37 R76 H77N37-P74 VanDerWaalsContact OD1-CA 3.26Å; N37-P74 WeakPolarHBondContact OD1-CA 3.44Å; P74-R76 HydrophobicContact CB-CG 4.16Å; P74-R76 PolarHBondContact O-N 2.74Å; P74-R76 VanDerWaalsContact O-N 3.15Å; P74-H77 PolarHBondContact O-N 2.76Å
75G97.6Very high93.2Very high12 Ų1279.3 Ų79.312%0.12440%0.398CS..G310 helixtrans-56.6-37.6-174.500000112.9C36 N37 V73 H77 I78C36-G75 WeakPolarHBondContact O-CA 3.3Å; N37-G75 PolarHBondContact OD1-N 3.19Å; V73-G75 PolarHBondContact O-N 3.44Å; G75-H77 PolarHBondContact O-N 2.89Å; G75-H77 VanDerWaalsContact O-N 3.07Å; G75-I78 WeakPolarHBondContact O-CB 3.37Å; G75-I78 PolarHBondContact O-N 3.04Å
76R97.6Very high92.4Very high213 Ų21382.5 Ų82.580%0.80441%0.409SS*.G310 helixtrans-60.7-15.217667.2171.4-167.1-161.3-0.9115.4P74P74-R76 HydrophobicContact CB-CG 4.16Å; P74-R76 PolarHBondContact O-N 2.74Å; P74-R76 VanDerWaalsContact O-N 3.15Å
77H97.4Very high90.9Very high72 Ų7281.4 Ų81.433%0.33341%0.412SS..G310 helixtrans-100.1-3.7177.6-59.1162000112.4P20 P74 G75 V79P20-H77 WeakPolarHBondContact CD-O 3.48Å; P20-H77 HydrophobicContact CG-CB 4.33Å; P20-H77 WeakPolarHBondContact CG-O 3.42Å; P74-H77 PolarHBondContact O-N 2.76Å; G75-H77 PolarHBondContact O-N 2.89Å; G75-H77 VanDerWaalsContact O-N 3.07Å; H77-V79 PolarHBondContact O-N 3.34Å
78I97Very high89.2Confident42 Ų4275.5 Ų75.522%0.21539%0.387CS..  trans-82.6112.5-178.2-58.5173.4000108.8V17 L38 V73 G75 L81V17-I78 HydrophobicContact CG1-CB 4.49Å; V17-I78 HydrophobicContact CG1-CD1 4.34Å; V17-I78 HydrophobicContact CG1-CG1 3.93Å; V17-I78 HydrophobicContact CG1-CG2 4.03Å; L38-I78 HydrophobicContact CD1-CD1 3.41Å; L38-I78 VanDerWaalsContact CD1-CD1 3.41Å; L38-I78 HydrophobicContact CG-CD1 3.67Å; V73-I78 HydrophobicContact CG1-CD1 4.21Å; V73-I78 HydrophobicContact CG1-CG1 3.75Å; G75-I78 WeakPolarHBondContact O-CB 3.37Å; G75-I78 PolarHBondContact O-N 3.04Å; I78-L81 HydrophobicContact CG2-CB 4.41Å; I78-L81 HydrophobicContact CG2-CD1 4.46Å
79V96.6Very high87.3Confident84 Ų8475 Ų7551%0.50939%0.387SS..SBendtrans-91.4-28.8175.6-570000112.1Q18 P20 H77Q18-V79 HydrophobicContact CB-CG2 3.66Å; Q18-V79 HydrophobicContact CG-CG2 3.51Å; Q18-V79 WeakPolarHBondContact O-CG2 3.49Å; Q18-V79 PolarHBondContact O-N 2.96Å; P20-V79 HydrophobicContact CB-CG1 4.11Å; P20-V79 HydrophobicContact CG-CG1 3.98Å; H77-V79 PolarHBondContact O-N 3.34Å
80K95Very high85.6Confident99 Ų9974.9 Ų74.943%0.4339%0.393SS..EExtended strand (participates in β ladder)trans-152.5140.2179.7-162176.3-166165.60111.5Q18 K82Q18-K80 HydrophobicContact CB-CB 3.76Å; Q18-K80 PolarHBondContact N-O 3.03Å; K80-K82 VanDerWaalsContact CE-CE 3.44Å
81L94.1Very high83.7Confident73 Ų7373.7 Ų73.738%0.38239%0.392SS..EExtended strand (participates in β ladder)trans-129.5133.2176.4-165.1125.8000110.1L15 Y16 V17 L38 I78L15-L81 HydrophobicContact CD1-CD1 4.24Å; L15-L81 HydrophobicContact CD1-CD2 4.44Å; L15-L81 HydrophobicContact CD2-CD2 4.38Å; Y16-L81 CarbonylContact O-C 3.49Å; Y16-L81 WeakPolarHBondContact O-CA 3.46Å; V17-L81 HydrophobicContact CG2-CD1 4.15Å; L38-L81 HydrophobicContact CD1-CD1 3.47Å; L38-L81 VanDerWaalsContact CD1-CD1 3.47Å; I78-L81 HydrophobicContact CG2-CB 4.41Å; I78-L81 HydrophobicContact CG2-CD1 4.46Å
82K93.5Very high81.7Confident97 Ų9776.8 Ų76.842%0.42240%0.403SS..EExtended strand (participates in β ladder)trans-134.9145.7172.5-54.8174.7179.7173.90110.4L15 Y16 K80L15-K82 CarbonylContact C-O 3.59Å; L15-K82 WeakPolarHBondContact CA-O 3.4Å; Y16-K82 HydrophobicContact CD1-CD 4.25Å; Y16-K82 HydrophobicContact CD1-CG 4.35Å; Y16-K82 PolarHBondContact N-O 2.98Å; Y16-K82 PolarHBondContact O-N 2.75Å; K80-K82 VanDerWaalsContact CE-CE 3.44Å
83V92.4Very high79.5Confident71 Ų7177.8 Ų77.843%0.4341%0.408SS..EExtended strand (participates in β ladder)trans-85.5127.8168-172.70000108.1L10 R13 L15L10-V83 HydrophobicContact CD2-CG2 3.54Å; R13-V83 HydrophobicContact CB-CG1 4.01Å; R13-V83 HydrophobicContact CG-CG1 4.34Å; L15-V83 HydrophobicContact CD2-CG2 4.05Å
84L91.1Very high76.7Confident32 Ų3292.5 Ų92.517%0.16846%0.462CS..  trans-84.3138.1174.5-59.3-176.7000109.6Y14 I26 E86 A88Y14-L84 PolarHBondContact O-N 2.72Å; I26-L84 HydrophobicContact CD1-CD1 4.2Å; I26-L84 HydrophobicContact CG2-CD1 3.67Å; L84-E86 VanDerWaalsContact C-N 3.28Å; L84-E86 PolarHBondContact O-N 3.23Å; L84-A88 HydrophobicContact CB-CB 4.45Å; L84-A88 HydrophobicContact CD1-CB 3.9Å
85A77.1Confident75.6Confident98 Ų9895.3 Ų95.381%0.8147%0.473SS*.SBendtrans-70.5-24.9-176.200000113
86E66.4Low74.4Confident124 Ų12499.6 Ų99.658%0.57949%0.492SS*.SBendtrans-125.6154.8-176.7-64.2178178.700110.1L84 A88L84-E86 VanDerWaalsContact C-N 3.28Å; L84-E86 PolarHBondContact O-N 3.23Å; E86-A88 VanDerWaalsContact C-N 3.26Å; E86-A88 VanDerWaalsContact O-CB 3.31Å; E86-A88 WeakPolarHBondContact O-CB 3.48Å; E86-A88 PolarHBondContact O-N 3.12Å
87D60.3Low73.1Confident102 Ų10293.3 Ų93.355%0.54547%0.474SS..  trans-63.991.2168.9-70.8-47.3000107.9Y14 R28 P89Y14-D87 HydrophobicContact CD2-CB 4Å; Y14-D87 WeakPolarHBondContact CD2-OD1 3.15Å; Y14-D87 HydrophobicContact CE2-CB 3.75Å; Y14-D87 VanDerWaalsContact CE2-OD1 3.26Å; Y14-D87 WeakPolarHBondContact CE2-OD1 3.43Å; R28-D87 IonicContact CZ-OD1 2.9Å; R28-D87 IonicContact NH2-OD1 3.7Å; R28-D87 PolarHBondContact NH2-OD1 2.95Å; R28-D87 IonicContact NH2-OD2 3.69Å; D87-P89 WeakPolarHBondContact O-CD 3.26Å
88A54.7Low71.7Confident1 Ų194.6 Ų94.61%0.00848%0.483CS..  trans-106.254.6-15900000115.9L84 E86 C90 L91L84-A88 HydrophobicContact CB-CB 4.45Å; L84-A88 HydrophobicContact CD1-CB 3.9Å; E86-A88 VanDerWaalsContact C-N 3.26Å; E86-A88 VanDerWaalsContact O-CB 3.31Å; E86-A88 WeakPolarHBondContact O-CB 3.48Å; E86-A88 PolarHBondContact O-N 3.12Å; A88-C90 PolarHBondContact O-N 2.9Å; A88-L91 HydrophobicContact CB-CB 4.33Å; A88-L91 HydrophobicContact CB-CD1 3.68Å; A88-L91 HydrophobicContact CB-CG 3.99Å
89P54.2Low70.1Confident54 Ų5497.9 Ų97.935%0.35150%0.499SS..SBendtrans-64.5-20.5156-17.330.7000112.5Y14 D87Y14-P89 HydrophobicContact CE1-CG 4.31Å; D87-P89 WeakPolarHBondContact O-CD 3.26Å
90C55.6Low68.4Low93 Ų9398.8 Ų98.863%0.62850%0.499SS*.SBendtrans-101.5-14.4-164.6-52.60000115.6A88 F92A88-C90 PolarHBondContact O-N 2.9Å; C90-F92 VanDerWaalsContact C-N 3.26Å; C90-F92 PolarHBondContact O-N 3.39Å
91L52.7Low66.5Low103 Ų10398.8 Ų98.854%0.53950%0.503SS..THydrogen-bonded Turntrans-75.2-5.5-169.6-71.5178.5000115.6A88A88-L91 HydrophobicContact CB-CB 4.33Å; A88-L91 HydrophobicContact CB-CD1 3.68Å; A88-L91 HydrophobicContact CB-CG 3.99Å
92F53.1Low64.4Low74 Ų74100.8 Ų100.833%0.32551%0.513SS..THydrogen-bonded Turntrans-109.312.8-178.1-57.7-79000114I26 Y46 M62 C90I26-F92 HydrophobicContact CD1-CD2 3.95Å; I26-F92 HydrophobicContact CD1-CE2 3.17Å; I26-F92 HydrophobicContact CD1-CZ 3.72Å; Y46-F92 HydrophobicContact CE1-CB 3.86Å; Y46-F92 HydrophobicContact CE1-CD2 4Å; Y46-F92 HydrophobicContact CE1-CG 4.06Å; Y46-F92 AromaticContact CZ-CD2 3.99Å; M62-F92 HydrophobicContact CB-CD1 4.28Å; C90-F92 VanDerWaalsContact C-N 3.26Å; C90-F92 PolarHBondContact O-N 3.39Å
93H48.5Very low61.9Low142 Ų142101.1 Ų101.166%0.65752%0.52SS*.  trans-97.884.8167.6-64.681000109.2
94R36.9Very low59.1Low319 Ų319103.8 Ų103.8100%1.20453%0.529SS*.  trans-136.70160.4-83.1-166.1-178.9-168.51.6109.4

Retrieved 94 of 94 residues in 198.8 ms (Link to these results)

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