A0A087Y1L5_POEFO Loading...

RecQ-mediated genome instability protein 2

Essential component of the RMI complex, a complex that plays an important role in the processing of homologous recombination intermediates. It is required to regulate sister chromatid segregation and to limit DNA crossover. Essential for the stability, localization, and function of BLM, TOP3A, and complexes containing BLM. In the RMI complex, it is required to target BLM to chromatin and stress-induced nuclear foci and mitotic phosphorylation of BLM.

AlphaFold DB (A0A3B3USK9), UniProt , Accession A0A087Y1L5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 146 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
1M37.6Very low39.2Very low249 Ų249154.3 Ų154.3100%1.22783%0.829SS**  097.70-68.5-165.2-177.300107.9
2S36.8Very low40.6Very low117 Ų117159.2 Ų159.282%0.81884%0.837SS**  trans-85.9117.3-175.245.80000110.4L4S2-L4 PolarHBondContact O-N 3.33Å
3K35.7Very low42.8Very low193 Ų193164.2 Ų164.284%0.83984%0.838SS**  trans-73.4110.5172.2-161.9174-175.7-178.70107.6E5K3-E5 PolarHBondContact O-N 3.15Å; K3-E5 VanDerWaalsContact O-N 3.14Å
4L38.4Very low45.5Very low164 Ų164155.9 Ų155.986%0.85980%0.802SS**  trans-75.398174.8-147.387000107.3S2 Q6S2-L4 PolarHBondContact O-N 3.33Å; L4-Q6 PolarHBondContact O-N 3.14Å; L4-Q6 VanDerWaalsContact O-N 3.15Å
5E37.2Very low48.5Very low172 Ų172151.6 Ų151.680%0.80479%0.788SS**  trans-70.2106.2167.5-69.1-164.6131.500108K3 S7K3-E5 PolarHBondContact O-N 3.15Å; K3-E5 VanDerWaalsContact O-N 3.14Å; E5-S7 VanDerWaalsContact C-N 3.3Å; E5-S7 PolarHBondContact O-N 2.93Å
6Q38.5Very low51.4Low179 Ų179144.9 Ų144.984%0.83676%0.757SS**  trans-69.994.9171.5-151.416117.500106.9L4 S8L4-Q6 PolarHBondContact O-N 3.14Å; L4-Q6 VanDerWaalsContact O-N 3.15Å; Q6-S8 VanDerWaalsContact C-N 3.31Å; Q6-S8 PolarHBondContact O-N 2.86Å
7S32.9Very low54Low99 Ų99137.2 Ų137.269%0.69272%0.718SS**  trans-56.496168.8171.10000108.3E5 K9E5-S7 VanDerWaalsContact C-N 3.3Å; E5-S7 PolarHBondContact O-N 2.93Å; S7-K9 PolarHBondContact O-N 2.99Å
8S37.6Very low56.4Low114 Ų114132.1 Ų132.180%0.79769%0.689SS**  trans-62.292163.4-690000106.8Q6 D10Q6-S8 VanDerWaalsContact C-N 3.31Å; Q6-S8 PolarHBondContact O-N 2.86Å; S8-D10 PolarHBondContact O-N 2.87Å
9K43.3Very low58.6Low190 Ų190125.1 Ų125.183%0.82665%0.652SS**  trans-54.4112.4166.6-72.2-178.5178.6178.60106.5S7 G11S7-K9 PolarHBondContact O-N 2.99Å; K9-G11 PolarHBondContact O-N 2.74Å
10D43.4Very low60.5Low170 Ų170119.6 Ų119.691%0.90962%0.624SS**  trans-69.970170.8-146.94.5000107.5S8 K12S8-D10 PolarHBondContact O-N 2.87Å; D10-K12 PolarHBondContact O-N 2.74Å
11G49.3Very low62.3Low50 Ų50113.9 Ų113.952%0.51559%0.594SS.*  trans-66117.9177.200000107.2K9 R13K9-G11 PolarHBondContact O-N 2.74Å; G11-R13 PolarHBondContact O-N 3.47Å
12K56.9Low65.1Low213 Ų213103.1 Ų103.193%0.92655%0.546SS*.  trans-43.6103.4170.4-90.3175.3172.5175.70108.6D10 S14D10-K12 PolarHBondContact O-N 2.74Å; K12-S14 PolarHBondContact O-N 3.23Å
13R68.3Low67.9Low224 Ų22499.2 Ų99.285%0.84552%0.515SS*.PPolyproline II helixtrans-58.8131.6175-73.6-175.9179.2-176.21.7107.3G11G11-R13 PolarHBondContact O-N 3.47Å
14S81.1Confident70.7Confident48 Ų4890 Ų9034%0.33648%0.475SS..PPolyproline II helixtrans-53.8141.2174.833.80000110.1K12 S52K12-S14 PolarHBondContact O-N 3.23Å; S14-S52 PolarHBondContact OG-OG 3.08Å
15P90.6Very high73.4Confident92 Ų9284.7 Ų84.760%0.59744%0.444SS*.PPolyproline II helixtrans-63.6154.7178.728.6-35000110.4V17P15-V17 PolarHBondContact O-N 3.32Å; P15-V17 VanDerWaalsContact O-N 3.16Å
16P94.4Very high76Confident45 Ų4578.5 Ų78.529%0.29242%0.422SS..PPolyproline II helixtrans-63.6116.517526.6-33000110.2L53 W55 M103P16-L53 WeakPolarHBondContact CA-O 3.29Å; P16-L53 HydrophobicContact CB-CD2 3.93Å; P16-L53 HydrophobicContact CB-CG 3.91Å; P16-L53 HydrophobicContact CG-CD2 4.27Å; P16-W55 HydrophobicContact CB-CB 4.44Å; P16-M103 HydrophobicContact CB-CG 3.93Å; P16-M103 HydrophobicContact CB-SD 3.92Å; P16-M103 HydrophobicContact CG-CG 4.49Å; P16-M103 HydrophobicContact CG-SD 3.82Å
17V96.1Very high78.3Confident14 Ų1470.6 Ų70.69%0.08539%0.387CS..EExtended strand (participates in β ladder)trans-89.5131.1178-1780000109.8P15 V19 V51 L53 V54 W55 L141 L145P15-V17 PolarHBondContact O-N 3.32Å; P15-V17 VanDerWaalsContact O-N 3.16Å; V17-V19 HydrophobicContact CB-CG1 4.5Å; V17-V19 HydrophobicContact CG1-CG1 4.1Å; V17-V19 PolarHBondContact O-N 2.78Å; V17-V51 HydrophobicContact CB-CG1 3.81Å; V17-V51 HydrophobicContact CG1-CG1 3.92Å; V17-V51 HydrophobicContact CG2-CG1 4.01Å; V17-L53 PolarHBondContact N-O 2.62Å; V17-V54 CarbonylContact O-C 3.54Å; V17-V54 VanDerWaalsContact O-CA 3.29Å; V17-V54 WeakPolarHBondContact O-CA 3.43Å; V17-W55 PolarHBondContact O-N 3.29Å; V17-L141 HydrophobicContact CG1-CD2 4.47Å; V17-L145 HydrophobicContact CG1-CD1 4.2Å; V17-L145 HydrophobicContact CG2-CD1 4.37Å
18K97.9Very high80.3Confident44 Ų4467.2 Ų67.219%0.19137%0.369CS..EExtended strand (participates in β ladder)trans-68.4125.3173.6-61.5179.7-179.6-175.10110W55 W134 E137 V138 L141 Q142K18-W55 WeakPolarHBondContact CA-O 3.44Å; K18-W55 HydrophobicContact CG-CB 4.15Å; K18-W55 HydrophobicContact CG-CG 4.31Å; K18-W134 HydrophobicContact CB-CH2 3.59Å; K18-W134 HydrophobicContact CB-CZ2 4.28Å; K18-W134 HydrophobicContact CB-CZ3 4.14Å; K18-W134 HydrophobicContact CD-CH2 4.01Å; K18-W134 HydrophobicContact CD-CZ3 3.7Å; K18-W134 HydrophobicContact CG-CH2 3.63Å; K18-W134 HydrophobicContact CG-CZ3 3.86Å; K18-E137 HydrophobicContact CD-CB 4.13Å; K18-E137 IonicContact NZ-OE2 2.7Å; K18-E137 PolarHBondContact NZ-OE2 3.22Å; K18-V138 HydrophobicContact CB-CG2 3.94Å; K18-L141 HydrophobicContact CB-CD2 3.64Å; K18-L141 HydrophobicContact CD-CB 4.46Å; K18-L141 HydrophobicContact CD-CD2 4.02Å; K18-L141 HydrophobicContact CG-CD2 3.62Å; K18-Q142 PolarHBondContact O-NE2 2.93Å
19V97.3Very high81.8Confident0 Ų068 Ų680%036%0.363CS..  trans-143.5157.6-177.7-57.60000111.8V17 L24 I41 V51 V54 W55 M56V17-V19 HydrophobicContact CB-CG1 4.5Å; V17-V19 HydrophobicContact CG1-CG1 4.1Å; V17-V19 PolarHBondContact O-N 2.78Å; V19-L24 HydrophobicContact CG2-CD1 4.22Å; V19-L24 HydrophobicContact CG2-CD2 4.45Å; V19-L24 HydrophobicContact CG2-CG 4.27Å; V19-I41 HydrophobicContact CB-CD1 4.47Å; V19-I41 HydrophobicContact CG1-CD1 3.55Å; V19-V51 HydrophobicContact CG1-CG1 4.4Å; V19-V54 HydrophobicContact CG1-CG1 4.28Å; V19-V54 HydrophobicContact CG2-CB 3.82Å; V19-V54 HydrophobicContact CG2-CG1 3.75Å; V19-W55 PolarHBondContact N-O 3.48Å; V19-W55 VanDerWaalsContact N-O 3.11Å; V19-M56 HydrophobicContact CG2-CE 4.45Å; V19-M56 HydrophobicContact CG2-CG 3.67Å; V19-M56 HydrophobicContact CG2-SD 4.06Å
20L97.7Very high82.6Confident15 Ų1566 Ų668%0.07935%0.349CS..  trans-98.7150.5166.8-65.8164.9000110.7G22 Q23 L24 E75 T76 K135 V138L20-G22 PolarHBondContact O-N 2.8Å; L20-Q23 HydrophobicContact CB-CG 4.3Å; L20-Q23 WeakPolarHBondContact O-CB 3.35Å; L20-Q23 PolarHBondContact O-N 3.31Å; L20-L24 PolarHBondContact O-N 2.8Å; L20-E75 HydrophobicContact CD2-CG 4.13Å; L20-T76 HydrophobicContact CB-CG2 3.91Å; L20-T76 HydrophobicContact CD1-CG2 3.82Å; L20-T76 HydrophobicContact CD2-CG2 4.4Å; L20-T76 HydrophobicContact CG-CG2 4.26Å; L20-K135 HydrophobicContact CD1-CG 4.44Å; L20-V138 HydrophobicContact CG-CG1 4.34Å; L20-V138 HydrophobicContact CG-CG2 4.35Å
21S97.4Very high83.3Confident0 Ų061.2 Ų61.20%034%0.341CS..Hα-helixtrans-56.8-38.5-178.9720000112.2Q23 L24 R25 D74 T76 G77 T78 P113S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 3.32Å; S21-L24 PolarHBondContact O-N 2.79Å; S21-R25 PolarHBondContact O-N 2.83Å; S21-D74 VanDerWaalsContact CB-OD2 3.31Å; S21-D74 WeakPolarHBondContact CB-OD2 3.35Å; S21-D74 PolarHBondContact N-OD2 2.98Å; S21-D74 PolarHBondContact OG-OD1 3.05Å; S21-D74 PolarHBondContact OG-OD2 3.23Å; S21-T76 PolarHBondContact N-OG1 2.83Å; S21-T76 PolarHBondContact OG-OG1 3.1Å; S21-G77 PolarHBondContact OG-N 2.9Å; S21-G77 PolarHBondContact OG-O 2.77Å; S21-T78 WeakPolarHBondContact CB-O 3.43Å; S21-P113 WeakPolarHBondContact O-CG 3.3Å
22G95.8Very high83.4Confident22 Ų2260.9 Ų60.923%0.22733%0.333CS..Hα-helixtrans-62.6-30.517600000113.6L20 A26 T76L20-G22 PolarHBondContact O-N 2.8Å; G22-A26 VanDerWaalsContact O-CB 3.29Å; G22-A26 WeakPolarHBondContact O-CB 3.34Å; G22-A26 PolarHBondContact O-N 2.85Å; G22-T76 PolarHBondContact N-OG1 2.95Å
23Q95.1Very high83.2Confident35 Ų3555.3 Ų55.316%0.16433%0.327CS..Hα-helixtrans-69.4-41.7175.6-62.8-176.7-75.900111.3L20 S21 A27 I41 R42L20-Q23 HydrophobicContact CB-CG 4.3Å; L20-Q23 WeakPolarHBondContact O-CB 3.35Å; L20-Q23 PolarHBondContact O-N 3.31Å; S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 3.32Å; Q23-A27 PolarHBondContact O-N 3.39Å; Q23-I41 HydrophobicContact CB-CD1 4.49Å; Q23-R42 PolarHBondContact NE2-O 2.84Å
24L94.8Very high82.3Confident0 Ų049.8 Ų49.80%031%0.314CS..Hα-helixtrans-63.4-51.6173.2-62.5177.8000109.7V19 L20 S21 A26 A27 G28 I41 V51 M56 V106 V109 P113V19-L24 HydrophobicContact CG2-CD1 4.22Å; V19-L24 HydrophobicContact CG2-CD2 4.45Å; V19-L24 HydrophobicContact CG2-CG 4.27Å; L20-L24 PolarHBondContact O-N 2.8Å; S21-L24 PolarHBondContact O-N 2.79Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3.36Å; L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.35Å; L24-A27 PolarHBondContact O-N 3.34Å; L24-G28 PolarHBondContact O-N 3.49Å; L24-I41 HydrophobicContact CD2-CG2 3.95Å; L24-V51 HydrophobicContact CD2-CG2 4.1Å; L24-M56 HydrophobicContact CD1-CE 4.03Å; L24-M56 HydrophobicContact CD1-SD 3.75Å; L24-V106 HydrophobicContact CD2-CG2 4.38Å; L24-V109 CarbonylContact C-O 3.45Å; L24-V109 HydrophobicContact CB-CB 4.34Å; L24-V109 HydrophobicContact CB-CG1 4.19Å; L24-V109 HydrophobicContact CD2-CG1 4.23Å; L24-V109 WeakPolarHBondContact O-CB 3.28Å; L24-P113 HydrophobicContact CB-CB 3.97Å; L24-P113 HydrophobicContact CB-CG 3.97Å; L24-P113 HydrophobicContact CD1-CB 4Å
25R94.9Very high81.4Confident52 Ų5252 Ų5220%0.19633%0.33CS..Hα-helixtrans-51.5-46.7178.1-165.8177.7-68.6102.30.5113.2S21 A27 G28 T76 T78 V109 P111 E112 P113S21-R25 PolarHBondContact O-N 2.83Å; R25-A27 VanDerWaalsContact C-N 3.27Å; R25-A27 PolarHBondContact O-N 3.11Å; R25-G28 PolarHBondContact O-N 3.22Å; R25-T76 PolarHBondContact NH1-O 2.82Å; R25-T78 PolarHBondContact NH2-O 3.44Å; R25-V109 WeakPolarHBondContact CA-O 3.26Å; R25-V109 PolarHBondContact N-O 2.82Å; R25-P111 PolarHBondContact NE-O 3Å; R25-E112 IonicContact CZ-OE2 3.82Å; R25-E112 IonicContact NE-OE2 3.92Å; R25-E112 IonicContact NH2-OE1 3.88Å; R25-E112 IonicContact NH2-OE2 2.85Å; R25-E112 PolarHBondContact NH2-OE2 2.72Å; R25-P113 HydrophobicContact CB-CG 4.24Å
26A92.1Very high79.8Confident42 Ų4253 Ų5335%0.34735%0.345SS..Hα-helixtrans-66.1-24.9178.800000114.1G22 L24G22-A26 VanDerWaalsContact O-CB 3.29Å; G22-A26 WeakPolarHBondContact O-CB 3.34Å; G22-A26 PolarHBondContact O-N 2.85Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3.36Å
27A88.4Confident78.7Confident13 Ų1357 Ų5711%0.10736%0.36CS..Hα-helixtrans-68.6-40.4176.700000112Q23 L24 R25 I29 R30 V40 I41Q23-A27 PolarHBondContact O-N 3.39Å; L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.35Å; L24-A27 PolarHBondContact O-N 3.34Å; R25-A27 VanDerWaalsContact C-N 3.27Å; R25-A27 PolarHBondContact O-N 3.11Å; A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 2.86Å; A27-R30 PolarHBondContact O-N 3.35Å; A27-V40 VanDerWaalsContact CB-O 3.27Å; A27-V40 WeakPolarHBondContact CB-O 3.44Å; A27-I41 HydrophobicContact CB-CG2 4.15Å
28G73.9Confident78.1Confident29 Ų2957.1 Ų57.130%0.29936%0.364SS..Hα-helixtrans-68.6-26.5-18000000114.2L24 R25 R30L24-G28 PolarHBondContact O-N 3.49Å; R25-G28 PolarHBondContact O-N 3.22Å; G28-R30 PolarHBondContact O-N 2.78Å
29I68.4Low77.7Confident131 Ų13157.4 Ų57.467%0.67236%0.364SS*.THydrogen-bonded Turntrans-67.8-23.8176.3-61.9172.6000111.5A27A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 2.86Å
30R61.6Low77.4Confident146 Ų14659.7 Ų59.755%0.55138%0.379SS*.THydrogen-bonded Turntrans-99.55.3-174.1-64.9-154.2170.9108.20.6115.3A27 G28 R42A27-R30 PolarHBondContact O-N 3.35Å; G28-R30 PolarHBondContact O-N 2.78Å; R30-R42 VanDerWaalsContact CZ-NH1 3.32Å; R30-R42 VanDerWaalsContact NH1-NH1 3.18Å
31G56.8Low77.2Confident71 Ų7159 Ų5973%0.73238%0.375SS*.THydrogen-bonded Turntrans6948.5168.700000115.2
32A52.6Low76.8Confident43 Ų4365.5 Ų65.536%0.35540%0.399SS..  trans-123.265.6175.500000111.6D34A32-D34 VanDerWaalsContact C-N 3.27Å; A32-D34 PolarHBondContact O-N 2.92Å
33A52.8Low76.3Confident95 Ų9564.9 Ų64.979%0.78539%0.392SS*.  trans-85.579.5157.600000107.2S35A33-S35 PolarHBondContact O-N 3.3Å
34D49.5Very low75.4Confident109 Ų10965.2 Ų65.258%0.58341%0.405SS*.  trans-97.494.6175.5-139.46.8000108.5A32A32-D34 VanDerWaalsContact C-N 3.27Å; A32-D34 PolarHBondContact O-N 2.92Å
35S61.3Low74.6Confident95 Ų9575.8 Ų75.866%0.66445%0.445SS*.THydrogen-bonded Turntrans31.2114.6153175.60000118.1A33 E37A33-S35 PolarHBondContact O-N 3.3Å; S35-E37 PolarHBondContact O-N 2.85Å
36A58.2Low73.7Confident111 Ų11176.3 Ų76.392%0.91747%0.467SS*.THydrogen-bonded Turntrans59.7-17.8157.300000119.8
37E70.7Confident73.5Confident130 Ų13079.9 Ų79.961%0.60747%0.471SS*.SBendtrans-113.7-7.7-169-70-171.5168.700115.8S35 R50S35-E37 PolarHBondContact O-N 2.85Å; E37-R50 IonicContact OE2-CZ 4Å; E37-R50 IonicContact OE2-NH1 2.74Å; E37-R50 PolarHBondContact OE2-NH1 3.03Å
38G83.7Confident73.6Confident17 Ų1783.3 Ų83.318%0.17549%0.491CS..  trans130.7-169.9175.400000114.3V51G38-V51 CarbonylContact C-O 3.46Å; G38-V51 WeakPolarHBondContact CA-O 3.38Å
39Y89.6Confident74.4Confident49 Ų4983 Ų8319%0.19248%0.482CS..EExtended strand (participates in β ladder)trans-109.2143.1-178.9-64.2-88.1000111R50 V51 V106 Q107 V109Y39-R50 CarbonylContact O-C 3.59Å; Y39-R50 WeakPolarHBondContact O-CA 3.48Å; Y39-V51 PolarHBondContact N-O 2.84Å; Y39-V51 PolarHBondContact O-N 3.34Å; Y39-V106 HydrophobicContact CD2-CB 3.82Å; Y39-V106 HydrophobicContact CD2-CG1 3.44Å; Y39-V106 VanDerWaalsContact CD2-CG1 3.44Å; Y39-V106 HydrophobicContact CE2-CB 3.84Å; Y39-V106 HydrophobicContact CE2-CG1 3.39Å; Y39-V106 HydrophobicContact CG-CG1 4.37Å; Y39-Q107 PolarHBondContact OH-O 2.92Å; Y39-Q107 VanDerWaalsContact OH-O 3.05Å; Y39-V109 HydrophobicContact CD1-CB 4.19Å; Y39-V109 HydrophobicContact CD1-CG1 3.46Å; Y39-V109 VanDerWaalsContact CD1-CG1 3.46Å; Y39-V109 HydrophobicContact CD1-CG2 3.62Å; Y39-V109 HydrophobicContact CD2-CG1 3.8Å; Y39-V109 HydrophobicContact CE1-CB 4.32Å; Y39-V109 HydrophobicContact CE1-CG1 3.76Å; Y39-V109 HydrophobicContact CE1-CG2 3.66Å; Y39-V109 HydrophobicContact CE2-CG1 4.08Å; Y39-V109 HydrophobicContact CG-CG1 3.47Å; Y39-V109 VanDerWaalsContact CG-CG1 3.47Å; Y39-V109 HydrophobicContact CG-CG2 4.47Å
40V91.4Very high75.5Confident49 Ų4982.4 Ų82.430%0.29747%0.472SS..EExtended strand (participates in β ladder)trans-93.3113175.3-178.70000109.7A27 T48 L49A27-V40 VanDerWaalsContact CB-O 3.27Å; A27-V40 WeakPolarHBondContact CB-O 3.44Å; V40-T48 HydrophobicContact CG1-CG2 4.16Å; V40-L49 CarbonylContact C-O 3.58Å; V40-L49 WeakPolarHBondContact CA-O 3.48Å
41I92Very high76.9Confident1 Ų175.5 Ų75.51%0.00545%0.446CS..EExtended strand (participates in β ladder)trans-100.6156.4174.762.7166.3000110.9V19 Q23 L24 A27 T48 L49 V51V19-I41 HydrophobicContact CB-CD1 4.47Å; V19-I41 HydrophobicContact CG1-CD1 3.55Å; Q23-I41 HydrophobicContact CB-CD1 4.49Å; L24-I41 HydrophobicContact CD2-CG2 3.95Å; A27-I41 HydrophobicContact CB-CG2 4.15Å; I41-T48 CarbonylContact O-C 3.53Å; I41-T48 WeakPolarHBondContact O-CA 3.4Å; I41-T48 WeakPolarHBondContact O-CB 3.27Å; I41-L49 HydrophobicContact CD1-CB 4.48Å; I41-L49 HydrophobicContact CG1-CB 3.98Å; I41-L49 WeakPolarHBondContact CG1-O 3.26Å; I41-L49 PolarHBondContact N-O 2.7Å; I41-L49 PolarHBondContact O-N 3.16Å; I41-V51 HydrophobicContact CD1-CG1 3.88Å; I41-V51 HydrophobicContact CD1-CG2 4.38Å; I41-V51 HydrophobicContact CG1-CG1 4.07Å; I41-V51 HydrophobicContact CG1-CG2 4.3Å; I41-V51 HydrophobicContact CG2-CG2 3.84Å
42R89.8Confident78.7Confident135 Ų13573.6 Ų73.651%0.50942%0.422SS..EExtended strand (participates in β ladder)trans-82.6126.4166.1-75.8-167178.8169.93.9110.2Q23 R30 R47 T48Q23-R42 PolarHBondContact NE2-O 2.84Å; R30-R42 VanDerWaalsContact CZ-NH1 3.32Å; R30-R42 VanDerWaalsContact NH1-NH1 3.18Å; R42-R47 WeakPolarHBondContact CA-O 3.07Å; R42-T48 HydrophobicContact CG-CG2 4.45Å
43A84.5Confident80.7Confident9 Ų972.9 Ų72.97%0.07441%0.412CS..  trans-90.2177.6167.200000110.3R47 L49 Q142 T146A43-R47 HydrophobicContact CB-CB 4.46Å; A43-R47 PolarHBondContact N-O 3.41Å; A43-L49 HydrophobicContact CB-CD1 3.94Å; A43-L49 HydrophobicContact CB-CG 4.11Å; A43-Q142 HydrophobicContact CB-CB 4.13Å; A43-T146 HydrophobicContact CB-CG2 3.74Å
44G76.2Confident82.8Confident43 Ų4368.4 Ų68.444%0.44337%0.374SS..G310 helixtrans-52.7152.7172.300000113G46 R47G44-G46 VanDerWaalsContact C-N 3.26Å; G44-G46 PolarHBondContact O-N 3.39Å; G44-R47 PolarHBondContact O-N 3.02Å
45R78.1Confident85.1Confident222 Ų22267 Ų6784%0.83836%0.361SS*.G310 helixtrans59.526.3176.2-54.5179.7-176.9-112.61.7115.6R47R45-R47 VanDerWaalsContact C-N 3.28Å; R45-R47 PolarHBondContact O-N 2.68Å
46G76.8Confident86.9Confident63 Ų6362.5 Ų62.565%0.64933%0.329SS*.G310 helixtrans797.2174.700000114.9G44G44-G46 VanDerWaalsContact C-N 3.26Å; G44-G46 PolarHBondContact O-N 3.39Å
47R86.8Confident88.8Confident116 Ų11657.5 Ų57.544%0.43829%0.287SS..  trans-79.1166.2174.2-60.4-176.2-179.1172.5-16.9110.9R42 A43 G44 R45 T146R42-R47 WeakPolarHBondContact CA-O 3.07Å; A43-R47 HydrophobicContact CB-CB 4.46Å; A43-R47 PolarHBondContact N-O 3.41Å; G44-R47 PolarHBondContact O-N 3.02Å; R45-R47 VanDerWaalsContact C-N 3.28Å; R45-R47 PolarHBondContact O-N 2.68Å; R47-T146 HydrophobicContact CB-CG2 4.01Å; R47-T146 VanDerWaalsContact CD-CB 3.41Å; R47-T146 WeakPolarHBondContact CD-O 3.07Å; R47-T146 VanDerWaalsContact CD-OG1 3.3Å; R47-T146 WeakPolarHBondContact CD-OG1 3.31Å; R47-T146 PolarHBondContact NH1-O 2.91Å; R47-T146 VanDerWaalsContact NH1-O 3.08Å; R47-T146 PolarHBondContact NH1-OG1 3.13Å; R47-T146 PolarHBondContact NH1-OXT 3.36Å
48T90.8Very high90.1Very high86 Ų8651.3 Ų51.353%0.52826%0.258SS..EExtended strand (participates in β ladder)trans-127.4151-179.462.50000111.8V40 I41 R42V40-T48 HydrophobicContact CG1-CG2 4.16Å; I41-T48 CarbonylContact O-C 3.53Å; I41-T48 WeakPolarHBondContact O-CA 3.4Å; I41-T48 WeakPolarHBondContact O-CB 3.27Å; R42-T48 HydrophobicContact CG-CG2 4.45Å
49L90.8Very high90.8Very high22 Ų2251.6 Ų51.612%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-133.3137178.7-74.3173.5000110.1V40 I41 A43 V51 Q142 L145 T146V40-L49 CarbonylContact C-O 3.58Å; V40-L49 WeakPolarHBondContact CA-O 3.48Å; I41-L49 HydrophobicContact CD1-CB 4.48Å; I41-L49 HydrophobicContact CG1-CB 3.98Å; I41-L49 WeakPolarHBondContact CG1-O 3.26Å; I41-L49 PolarHBondContact N-O 2.7Å; I41-L49 PolarHBondContact O-N 3.16Å; A43-L49 HydrophobicContact CB-CD1 3.94Å; A43-L49 HydrophobicContact CB-CG 4.11Å; L49-V51 HydrophobicContact CB-CG1 4.46Å; L49-Q142 HydrophobicContact CD1-CB 4.01Å; L49-Q142 HydrophobicContact CD1-CG 3.69Å; L49-L145 HydrophobicContact CD1-CB 4.35Å; L49-L145 HydrophobicContact CD2-CB 3.98Å; L49-L145 WeakPolarHBondContact CD2-O 3.47Å; L49-T146 HydrophobicContact CD1-CG2 3.79Å; L49-T146 HydrophobicContact CD2-CG2 3.35Å; L49-T146 HydrophobicContact CG-CG2 3.38Å
50R91.2Very high91.2Very high118 Ų11849.3 Ų49.345%0.44525%0.248SC..EExtended strand (participates in β ladder)trans-87.5125.6170.3-174.1171.1-73.7-156.7-8.5109.3E37 Y39E37-R50 IonicContact OE2-CZ 4Å; E37-R50 IonicContact OE2-NH1 2.74Å; E37-R50 PolarHBondContact OE2-NH1 3.03Å; Y39-R50 CarbonylContact O-C 3.59Å; Y39-R50 WeakPolarHBondContact O-CA 3.48Å
51V92.3Very high91.5Very high1 Ų150.3 Ų50.31%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-130.4136.1-177-59.10000111.1V17 V19 L24 G38 Y39 I41 L49 V54V17-V51 HydrophobicContact CB-CG1 3.81Å; V17-V51 HydrophobicContact CG1-CG1 3.92Å; V17-V51 HydrophobicContact CG2-CG1 4.01Å; V19-V51 HydrophobicContact CG1-CG1 4.4Å; L24-V51 HydrophobicContact CD2-CG2 4.1Å; G38-V51 CarbonylContact C-O 3.46Å; G38-V51 WeakPolarHBondContact CA-O 3.38Å; Y39-V51 PolarHBondContact N-O 2.84Å; Y39-V51 PolarHBondContact O-N 3.34Å; I41-V51 HydrophobicContact CD1-CG1 3.88Å; I41-V51 HydrophobicContact CD1-CG2 4.38Å; I41-V51 HydrophobicContact CG1-CG1 4.07Å; I41-V51 HydrophobicContact CG1-CG2 4.3Å; I41-V51 HydrophobicContact CG2-CG2 3.84Å; L49-V51 HydrophobicContact CB-CG1 4.46Å; V51-V54 HydrophobicContact CB-CG1 4.19Å; V51-V54 HydrophobicContact CG2-CG1 4.32Å
52S93Very high91.8Very high32 Ų3255.2 Ų55.222%0.22427%0.274CS..SBendtrans-135.1-37.3175.556.50000111.3S14 V105 V106S14-S52 PolarHBondContact OG-OG 3.08Å; S52-V105 CarbonylContact O-C 3.58Å; S52-V105 WeakPolarHBondContact O-CA 3.32Å; S52-V106 PolarHBondContact O-N 3.28Å
53L95.3Very high92Very high28 Ų2851 Ų5115%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-104130.8165-171.469.9000109.1P16 V17 M103 V105 V118P16-L53 WeakPolarHBondContact CA-O 3.29Å; P16-L53 HydrophobicContact CB-CD2 3.93Å; P16-L53 HydrophobicContact CB-CG 3.91Å; P16-L53 HydrophobicContact CG-CD2 4.27Å; V17-L53 PolarHBondContact N-O 2.62Å; L53-M103 HydrophobicContact CD1-CG 4.18Å; L53-M103 HydrophobicContact CD2-SD 4.44Å; L53-M103 HydrophobicContact CG-CG 4.38Å; L53-V105 HydrophobicContact CD1-CG2 3.91Å; L53-V118 HydrophobicContact CD1-CG2 4.12Å
54V97.3Very high92.4Very high0 Ų055.2 Ų55.20%028%0.281CS..EExtended strand (participates in β ladder)trans-126.8153.4-176.3-660000112V17 V19 V51 M56 M103 G104 V106 I115V17-V54 CarbonylContact O-C 3.54Å; V17-V54 VanDerWaalsContact O-CA 3.29Å; V17-V54 WeakPolarHBondContact O-CA 3.43Å; V19-V54 HydrophobicContact CG1-CG1 4.28Å; V19-V54 HydrophobicContact CG2-CB 3.82Å; V19-V54 HydrophobicContact CG2-CG1 3.75Å; V51-V54 HydrophobicContact CB-CG1 4.19Å; V51-V54 HydrophobicContact CG2-CG1 4.32Å; V54-M56 HydrophobicContact CB-CG 4.33Å; V54-M56 HydrophobicContact CG2-CG 4.04Å; V54-M56 HydrophobicContact CG2-SD 4.06Å; V54-M103 CarbonylContact O-C 3.56Å; V54-M103 VanDerWaalsContact O-CA 3.26Å; V54-M103 WeakPolarHBondContact O-CA 3.31Å; V54-G104 WeakPolarHBondContact CG2-O 3.24Å; V54-G104 PolarHBondContact N-O 2.9Å; V54-G104 PolarHBondContact O-N 2.61Å; V54-V106 HydrophobicContact CB-CG2 4.4Å; V54-V106 HydrophobicContact CG1-CG2 3.56Å; V54-V106 HydrophobicContact CG2-CG2 3.93Å; V54-I115 HydrophobicContact CG2-CD1 4.41Å; V54-I115 HydrophobicContact CG2-CG2 3.93Å
55W98.2Very high93Very high81 Ų8162.2 Ų62.231%0.30731%0.307SS..EExtended strand (participates in β ladder)trans-110121.6162.4-174.7-41000107.6P16 V17 K18 V19 M101 V102 W134P16-W55 HydrophobicContact CB-CB 4.44Å; V17-W55 PolarHBondContact O-N 3.29Å; K18-W55 WeakPolarHBondContact CA-O 3.44Å; K18-W55 HydrophobicContact CG-CB 4.15Å; K18-W55 HydrophobicContact CG-CG 4.31Å; V19-W55 PolarHBondContact N-O 3.48Å; V19-W55 VanDerWaalsContact N-O 3.11Å; W55-M101 HydrophobicContact CZ2-CE 4.35Å; W55-V102 WeakPolarHBondContact CA-O 3.49Å; W55-W134 HydrophobicContact CB-CH2 4.34Å; W55-W134 AromaticContact CD1-CH2 3.24Å; W55-W134 AromaticContact CD1-CZ3 3.71Å; W55-W134 AromaticContact CG-CH2 3.93Å; W55-W134 HydrophobicContact CG-CH2 3.93Å; W55-W134 HydrophobicContact CG-CZ3 4.46Å; W55-W134 AromaticContact NE1-CH2 3.85Å; W55-W134 AromaticContact NE1-CZ3 3.82Å; W55-W134 WeakPolarHBondContact O-CH2 3.5Å; W55-W134 VanDerWaalsContact O-CZ2 3.3Å; W55-W134 WeakPolarHBondContact O-CZ2 3.21Å
56M98.4Very high93.5Very high0 Ų056 Ų560%029%0.291CS..EExtended strand (participates in β ladder)trans-125.3156.8175.7-58.4-177.471.400110.2V19 L24 V54 F79 M101 V102 I115V19-M56 HydrophobicContact CG2-CE 4.45Å; V19-M56 HydrophobicContact CG2-CG 3.67Å; V19-M56 HydrophobicContact CG2-SD 4.06Å; L24-M56 HydrophobicContact CD1-CE 4.03Å; L24-M56 HydrophobicContact CD1-SD 3.75Å; V54-M56 HydrophobicContact CB-CG 4.33Å; V54-M56 HydrophobicContact CG2-CG 4.04Å; V54-M56 HydrophobicContact CG2-SD 4.06Å; M56-F79 HydrophobicContact CB-CE2 3.92Å; M56-F79 HydrophobicContact CB-CZ 3.82Å; M56-F79 HydrophobicContact CE-CB 4.36Å; M56-F79 HydrophobicContact CE-CD1 3.79Å; M56-F79 HydrophobicContact CE-CD2 3.85Å; M56-F79 HydrophobicContact CE-CE1 3.93Å; M56-F79 HydrophobicContact CE-CE2 3.96Å; M56-F79 HydrophobicContact CE-CG 3.75Å; M56-F79 HydrophobicContact CE-CZ 4.01Å; M56-F79 HydrophobicContact SD-CD2 3.97Å; M56-F79 HydrophobicContact SD-CE2 3.96Å; M56-F79 HydrophobicContact SD-CG 4.44Å; M56-F79 HydrophobicContact SD-CZ 4.46Å; M56-M101 WeakPolarHBondContact O-CA 3.46Å; M56-V102 HydrophobicContact CB-CG1 3.91Å; M56-V102 PolarHBondContact N-O 3Å; M56-V102 PolarHBondContact O-N 2.87Å; M56-I115 HydrophobicContact SD-CD1 4.15Å; M56-I115 HydrophobicContact SD-CG2 4.21Å
57Q98.4Very high93.9Very high5 Ų554.6 Ų54.62%0.02328%0.276CS..EExtended strand (participates in β ladder)trans-131.5146.8171.8-57.8-168.624.600109.7D74 Y99 V100 M101 L123 W134Q57-D74 WeakPolarHBondContact O-CB 3.29Å; Q57-Y99 HydrophobicContact CB-CE1 4.27Å; Q57-Y99 WeakPolarHBondContact CB-OH 3.48Å; Q57-Y99 PolarHBondContact OE1-OH 3.45Å; Q57-V100 VanDerWaalsContact CA-O 3.28Å; Q57-V100 WeakPolarHBondContact CA-O 3.34Å; Q57-M101 HydrophobicContact CG-CB 4Å; Q57-L123 HydrophobicContact CG-CD1 4.35Å; Q57-L123 VanDerWaalsContact OE1-CD1 3.28Å; Q57-W134 HydrophobicContact CB-CD2 3.84Å; Q57-W134 HydrophobicContact CB-CE3 4.38Å; Q57-W134 HydrophobicContact CB-CG 3.98Å; Q57-W134 HydrophobicContact CB-CZ2 4.44Å; Q57-W134 HydrophobicContact CG-CD2 3.6Å; Q57-W134 HydrophobicContact CG-CE3 3.63Å; Q57-W134 HydrophobicContact CG-CG 4.2Å; Q57-W134 HydrophobicContact CG-CH2 4.05Å; Q57-W134 HydrophobicContact CG-CZ2 4.05Å; Q57-W134 HydrophobicContact CG-CZ3 3.84Å; Q57-W134 VanDerWaalsContact NE2-CZ3 3.26Å
58G98.3Very high94.1Very high0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-173.3168.5-177.700000113.6M73 Y99 V100G58-M73 CarbonylContact C-O 3.42Å; G58-M73 WeakPolarHBondContact CA-O 3.36Å; G58-Y99 WeakPolarHBondContact O-CD2 3.3Å; G58-V100 PolarHBondContact N-O 3.1Å; G58-V100 PolarHBondContact O-N 3.23Å
59T98.4Very high94.3Very high24 Ų2447.2 Ų47.215%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-90.1131.7173.9-47.90000109.2L61 L72 M73 K98 R131T59-L61 PolarHBondContact O-N 2.82Å; T59-L72 CarbonylContact O-C 3.54Å; T59-L72 VanDerWaalsContact O-CA 3.3Å; T59-L72 WeakPolarHBondContact O-CA 3.36Å; T59-M73 PolarHBondContact N-O 3.09Å; T59-M73 PolarHBondContact O-N 3.19Å; T59-K98 CarbonylContact C-O 3.51Å; T59-K98 WeakPolarHBondContact CA-O 3.42Å; T59-R131 PolarHBondContact OG1-NH2 3.13Å
60V98Very high94.6Very high1 Ų146.2 Ų46.21%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-65.6118.6172.1-179.70000109.1V63 V70 L72 L95 P96 G97 K98 V100V60-V63 HydrophobicContact CG1-CG2 4.12Å; V60-V70 HydrophobicContact CG1-CG1 3.77Å; V60-V70 HydrophobicContact CG2-CG1 4.31Å; V60-L72 HydrophobicContact CB-CD2 4.07Å; V60-L72 HydrophobicContact CG2-CD2 3.51Å; V60-L95 VanDerWaalsContact CB-O 3.28Å; V60-L95 WeakPolarHBondContact CB-O 3.44Å; V60-L95 WeakPolarHBondContact CG1-O 3.38Å; V60-P96 WeakPolarHBondContact O-CA 3.42Å; V60-G97 PolarHBondContact O-N 3.36Å; V60-K98 HydrophobicContact CG2-CB 4.19Å; V60-K98 PolarHBondContact N-O 2.83Å; V60-V100 HydrophobicContact CG2-CG1 4.16Å; V60-V100 HydrophobicContact CG2-CG2 4.16Å
61L97.9Very high95Very high69 Ų6943.7 Ų43.736%0.36123%0.233SC..EExtended strand (participates in β ladder)trans-90.6-49.8172.9-62.1-170.5000110.8T59 M71 M73 T78T59-L61 PolarHBondContact O-N 2.82Å; L61-M71 HydrophobicContact CD1-CG 4.45Å; L61-M71 PolarHBondContact N-O 3.47Å; L61-M73 HydrophobicContact CD1-CB 3.81Å; L61-M73 HydrophobicContact CD1-CE 3.82Å; L61-M73 HydrophobicContact CD1-SD 4.38Å; L61-M73 HydrophobicContact CD2-CB 4.02Å; L61-M73 HydrophobicContact CD2-SD 4.39Å; L61-M73 HydrophobicContact CG-CB 3.89Å; L61-T78 HydrophobicContact CD1-CG2 3.9Å
62E96.6Very high95.3Very high104 Ų10443.7 Ų43.749%0.48623%0.233SC..EExtended strand (participates in β ladder)trans-148.5144.5-172.2-172.5-178.8171.800110.3V70 M71E62-V70 WeakPolarHBondContact O-CA 3.43Å; E62-V70 WeakPolarHBondContact O-CG1 3.14Å; E62-M71 HydrophobicContact CB-CB 4.42Å; E62-M71 HydrophobicContact CB-CE 4.32Å; E62-M71 PolarHBondContact N-O 3.34Å; E62-M71 PolarHBondContact O-N 3.21Å
63V94.7Very high95.5Very high48 Ų4846 Ų4629%0.29124%0.242SC..EExtended strand (participates in β ladder)trans-111.7121.5167.1-178.70000106.4V60 V70 L94V60-V63 HydrophobicContact CG1-CG2 4.12Å; V63-V70 HydrophobicContact CB-CG2 4.39Å; V63-V70 HydrophobicContact CG1-CG2 4.1Å; V63-V70 HydrophobicContact CG2-CG1 4.36Å; V63-V70 HydrophobicContact CG2-CG2 4.04Å; V63-L94 HydrophobicContact CG2-CB 4.41Å; V63-L94 WeakPolarHBondContact CG2-O 3.48Å
64Q93.2Very high95.6Very high96 Ų9645.4 Ų45.445%0.44924%0.238SC..  trans-62154.6179.6-68.3-163.832.200111.1D66 G67 T69Q64-D66 WeakPolarHBondContact CB-OD1 3.48Å; Q64-D66 PolarHBondContact O-N 2.86Å; Q64-D66 VanDerWaalsContact O-N 3.14Å; Q64-G67 PolarHBondContact O-N 2.81Å; Q64-T69 WeakPolarHBondContact CB-O 3.42Å; Q64-T69 HydrophobicContact CG-CG2 4.37Å; Q64-T69 PolarHBondContact N-O 2.9Å; Q64-T69 VanDerWaalsContact NE2-CG2 3.27Å
65L89.1Confident95.6Very high190 Ų19050.6 Ų50.6100%0.99526%0.262SS*.THydrogen-bonded Turntrans-58.7-28.3-176.7-66.9174.2000113.5G67L65-G67 PolarHBondContact O-N 2.86Å
66D89Confident95.5Very high91 Ų9149.3 Ų49.349%0.48726%0.264SS..THydrogen-bonded Turntrans-73.2-11176.974.8-9.1000113.3Q64 T68 T69Q64-D66 WeakPolarHBondContact CB-OD1 3.48Å; Q64-D66 PolarHBondContact O-N 2.86Å; Q64-D66 VanDerWaalsContact O-N 3.14Å; D66-T68 HydrophobicContact CB-CG2 4.23Å; D66-T68 WeakPolarHBondContact O-CG2 3.37Å; D66-T68 PolarHBondContact O-N 2.86Å; D66-T68 PolarHBondContact OD1-N 3.38Å; D66-T68 PolarHBondContact OD1-OG1 3.32Å; D66-T68 PolarHBondContact OD2-OG1 2.93Å; D66-T69 PolarHBondContact OD1-N 3.32Å
67G84.9Confident95.5Very high34 Ų3450.3 Ų50.335%0.35127%0.274SS..SBendtrans6511.2-177.300000114.3Q64 L65 V84Q64-G67 PolarHBondContact O-N 2.81Å; L65-G67 PolarHBondContact O-N 2.86Å; G67-V84 WeakPolarHBondContact O-CG2 3.27Å
68T90.6Very high95.5Very high38 Ų3851.7 Ų51.723%0.23328%0.283CS..SBendtrans-102.1-22.9-17783.40000112.9D66 Q82 G83 V84D66-T68 HydrophobicContact CB-CG2 4.23Å; D66-T68 WeakPolarHBondContact O-CG2 3.37Å; D66-T68 PolarHBondContact O-N 2.86Å; D66-T68 PolarHBondContact OD1-N 3.38Å; D66-T68 PolarHBondContact OD1-OG1 3.32Å; D66-T68 PolarHBondContact OD2-OG1 2.93Å; T68-Q82 CarbonylContact O-C 3.56Å; T68-G83 PolarHBondContact O-N 3.37Å; T68-V84 VanDerWaalsContact O-CG2 3.27Å; T68-V84 WeakPolarHBondContact O-CG2 3.38Å; T68-V84 PolarHBondContact O-N 3.12Å; T68-V84 VanDerWaalsContact O-N 3.13Å
69T95.6Very high95.5Very high10 Ų1051.7 Ų51.76%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-125.2137.7-176.3-56.50000111.6Q64 D66 A80 V81 Q82Q64-T69 WeakPolarHBondContact CB-O 3.42Å; Q64-T69 HydrophobicContact CG-CG2 4.37Å; Q64-T69 PolarHBondContact N-O 2.9Å; Q64-T69 VanDerWaalsContact NE2-CG2 3.27Å; D66-T69 PolarHBondContact OD1-N 3.32Å; T69-A80 HydrophobicContact CG2-CB 4.49Å; T69-V81 CarbonylContact C-O 3.49Å; T69-V81 VanDerWaalsContact CA-O 3.26Å; T69-V81 WeakPolarHBondContact CA-O 3.39Å; T69-Q82 HydrophobicContact CG2-CG 4.1Å
70V97.1Very high95.5Very high0 Ų051.5 Ų51.50%028%0.284CS..EExtended strand (participates in β ladder)trans-128.5135.7179.7179.20000109.4V60 E62 V63 L72 V81 V84 L94V60-V70 HydrophobicContact CG1-CG1 3.77Å; V60-V70 HydrophobicContact CG2-CG1 4.31Å; E62-V70 WeakPolarHBondContact O-CA 3.43Å; E62-V70 WeakPolarHBondContact O-CG1 3.14Å; V63-V70 HydrophobicContact CB-CG2 4.39Å; V63-V70 HydrophobicContact CG1-CG2 4.1Å; V63-V70 HydrophobicContact CG2-CG1 4.36Å; V63-V70 HydrophobicContact CG2-CG2 4.04Å; V70-L72 HydrophobicContact CG1-CD2 3.95Å; V70-L72 HydrophobicContact CG1-CG 4.44Å; V70-V81 PolarHBondContact N-O 3.22Å; V70-V81 PolarHBondContact O-N 3.11Å; V70-V84 HydrophobicContact CB-CG1 4.39Å; V70-V84 HydrophobicContact CG2-CB 4.38Å; V70-V84 HydrophobicContact CG2-CG1 4Å; V70-V84 HydrophobicContact CG2-CG2 3.8Å; V70-L94 HydrophobicContact CG2-CD2 4.25Å
71M98.1Very high95.5Very high66 Ų6651.4 Ų51.433%0.32528%0.283SS..EExtended strand (participates in β ladder)trans-94.9122.3172.7-172.3158.257.800109.6L61 E62L61-M71 HydrophobicContact CD1-CG 4.45Å; L61-M71 PolarHBondContact N-O 3.47Å; E62-M71 HydrophobicContact CB-CB 4.42Å; E62-M71 HydrophobicContact CB-CE 4.32Å; E62-M71 PolarHBondContact N-O 3.34Å; E62-M71 PolarHBondContact O-N 3.21Å
72L98.4Very high95.4Very high0 Ų052.1 Ų52.10%029%0.285CS..EExtended strand (participates in β ladder)trans-109.6156.5176.6-62.6-176000110.2T59 V60 V70 T78 F79 V81 V100 V102 M120T59-L72 CarbonylContact O-C 3.54Å; T59-L72 VanDerWaalsContact O-CA 3.3Å; T59-L72 WeakPolarHBondContact O-CA 3.36Å; V60-L72 HydrophobicContact CB-CD2 4.07Å; V60-L72 HydrophobicContact CG2-CD2 3.51Å; V70-L72 HydrophobicContact CG1-CD2 3.95Å; V70-L72 HydrophobicContact CG1-CG 4.44Å; L72-T78 CarbonylContact O-C 3.51Å; L72-T78 WeakPolarHBondContact O-CA 3.21Å; L72-F79 HydrophobicContact CB-CD1 4.08Å; L72-F79 HydrophobicContact CB-CD2 4.3Å; L72-F79 HydrophobicContact CB-CE1 3.59Å; L72-F79 HydrophobicContact CB-CE2 3.85Å; L72-F79 HydrophobicContact CB-CG 4.42Å; L72-F79 HydrophobicContact CB-CZ 3.46Å; L72-F79 VanDerWaalsContact CB-CZ 3.46Å; L72-F79 HydrophobicContact CD1-CE1 4.49Å; L72-F79 HydrophobicContact CD1-CE2 3.59Å; L72-F79 HydrophobicContact CD1-CZ 3.53Å; L72-F79 HydrophobicContact CG-CE2 4.21Å; L72-F79 HydrophobicContact CG-CZ 4.1Å; L72-F79 PolarHBondContact N-O 2.98Å; L72-F79 PolarHBondContact O-N 2.99Å; L72-V81 HydrophobicContact CD1-CG2 3.62Å; L72-V81 HydrophobicContact CG-CG2 4Å; L72-V100 HydrophobicContact CD1-CG2 3.85Å; L72-V100 HydrophobicContact CD2-CG2 3.73Å; L72-V102 HydrophobicContact CD1-CG1 3.92Å; L72-M120 HydrophobicContact CD1-CE 4.39Å
73M98.4Very high95.3Very high82 Ų8247.9 Ų47.940%0.40427%0.268SS..EExtended strand (participates in β ladder)trans-131125.7172.3178.8-178.2-8600110.9G58 T59 L61 G77 T78G58-M73 CarbonylContact C-O 3.42Å; G58-M73 WeakPolarHBondContact CA-O 3.36Å; T59-M73 PolarHBondContact N-O 3.09Å; T59-M73 PolarHBondContact O-N 3.19Å; L61-M73 HydrophobicContact CD1-CB 3.81Å; L61-M73 HydrophobicContact CD1-CE 3.82Å; L61-M73 HydrophobicContact CD1-SD 4.38Å; L61-M73 HydrophobicContact CD2-CB 4.02Å; L61-M73 HydrophobicContact CD2-SD 4.39Å; L61-M73 HydrophobicContact CG-CB 3.89Å; M73-G77 WeakPolarHBondContact CA-O 3.37Å; M73-T78 HydrophobicContact CB-CG2 4.29Å; M73-T78 HydrophobicContact CE-CG2 3.72Å; M73-T78 HydrophobicContact CG-CG2 4.48Å
74D97.9Very high95.2Very high15 Ų1545.8 Ų45.88%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-102-176164.770.523.3000110.7S21 Q57 T76 G77 F79S21-D74 VanDerWaalsContact CB-OD2 3.31Å; S21-D74 WeakPolarHBondContact CB-OD2 3.35Å; S21-D74 PolarHBondContact N-OD2 2.98Å; S21-D74 PolarHBondContact OG-OD1 3.05Å; S21-D74 PolarHBondContact OG-OD2 3.23Å; Q57-D74 WeakPolarHBondContact O-CB 3.29Å; D74-T76 PolarHBondContact O-N 2.95Å; D74-T76 VanDerWaalsContact O-N 3.16Å; D74-T76 WeakPolarHBondContact OD1-CA 3.37Å; D74-T76 WeakPolarHBondContact OD1-CB 3.36Å; D74-T76 PolarHBondContact OD1-N 3.25Å; D74-T76 PolarHBondContact OD1-OG1 2.84Å; D74-G77 PolarHBondContact N-O 3.26Å; D74-G77 PolarHBondContact O-N 3.11Å; D74-G77 PolarHBondContact OD1-N 2.85Å; D74-G77 VanDerWaalsContact OD1-N 3.09Å; D74-F79 HydrophobicContact CB-CE1 4.4Å
75E96.1Very high95Very high108 Ų10845.3 Ų45.351%0.50526%0.256SS..THydrogen-bonded Turntrans-65.8-13.8-17964.4174.3179.900114.1L20 K135L20-E75 HydrophobicContact CD2-CG 4.13Å; E75-K135 WeakPolarHBondContact OE1-CB 3.26Å; E75-K135 VanDerWaalsContact OE1-CD 3.24Å; E75-K135 WeakPolarHBondContact OE1-CD 3.3Å; E75-K135 WeakPolarHBondContact OE1-CG 3.46Å
76T96.8Very high94.9Very high55 Ų5542.7 Ų42.734%0.33724%0.244SC..THydrogen-bonded Turntrans-108-1.4-177.365.70000113.7L20 S21 G22 R25 D74L20-T76 HydrophobicContact CB-CG2 3.91Å; L20-T76 HydrophobicContact CD1-CG2 3.82Å; L20-T76 HydrophobicContact CD2-CG2 4.4Å; L20-T76 HydrophobicContact CG-CG2 4.26Å; S21-T76 PolarHBondContact N-OG1 2.83Å; S21-T76 PolarHBondContact OG-OG1 3.1Å; G22-T76 PolarHBondContact N-OG1 2.95Å; R25-T76 PolarHBondContact NH1-O 2.82Å; D74-T76 PolarHBondContact O-N 2.95Å; D74-T76 VanDerWaalsContact O-N 3.16Å; D74-T76 WeakPolarHBondContact OD1-CA 3.37Å; D74-T76 WeakPolarHBondContact OD1-CB 3.36Å; D74-T76 PolarHBondContact OD1-N 3.25Å; D74-T76 PolarHBondContact OD1-OG1 2.84Å
77G97.6Very high94.8Very high21 Ų2139.3 Ų39.322%0.21623%0.225CC..EExtended strand (participates in β ladder)trans136.2-167.617500000113.4S21 M73 D74S21-G77 PolarHBondContact OG-N 2.9Å; S21-G77 PolarHBondContact OG-O 2.77Å; M73-G77 WeakPolarHBondContact CA-O 3.37Å; D74-G77 PolarHBondContact N-O 3.26Å; D74-G77 PolarHBondContact O-N 3.11Å; D74-G77 PolarHBondContact OD1-N 2.85Å; D74-G77 VanDerWaalsContact OD1-N 3.09Å
78T98.3Very high94.7Very high33 Ų3342.6 Ų42.620%0.20224%0.24CC..EExtended strand (participates in β ladder)trans-84.9162.4-178.249.10000111.9S21 R25 L61 L72 M73 E112S21-T78 WeakPolarHBondContact CB-O 3.43Å; R25-T78 PolarHBondContact NH2-O 3.44Å; L61-T78 HydrophobicContact CD1-CG2 3.9Å; L72-T78 CarbonylContact O-C 3.51Å; L72-T78 WeakPolarHBondContact O-CA 3.21Å; M73-T78 HydrophobicContact CB-CG2 4.29Å; M73-T78 HydrophobicContact CE-CG2 3.72Å; M73-T78 HydrophobicContact CG-CG2 4.48Å; T78-E112 WeakPolarHBondContact CA-OE1 3.49Å; T78-E112 WeakPolarHBondContact CB-OE1 3.36Å; T78-E112 PolarHBondContact OG1-OE1 2.66Å; T78-E112 PolarHBondContact OG1-OE2 3.16Å; T78-E112 VanDerWaalsContact OG1-OE2 3.1Å
79F98.5Very high93.9Very high0 Ų050.4 Ų50.40%027%0.271CS..EExtended strand (participates in β ladder)trans-155.9150.7162.960.1-77.3000110.3M56 L72 D74 V81 V102 E112 P113 I115M56-F79 HydrophobicContact CB-CE2 3.92Å; M56-F79 HydrophobicContact CB-CZ 3.82Å; M56-F79 HydrophobicContact CE-CB 4.36Å; M56-F79 HydrophobicContact CE-CD1 3.79Å; M56-F79 HydrophobicContact CE-CD2 3.85Å; M56-F79 HydrophobicContact CE-CE1 3.93Å; M56-F79 HydrophobicContact CE-CE2 3.96Å; M56-F79 HydrophobicContact CE-CG 3.75Å; M56-F79 HydrophobicContact CE-CZ 4.01Å; M56-F79 HydrophobicContact SD-CD2 3.97Å; M56-F79 HydrophobicContact SD-CE2 3.96Å; M56-F79 HydrophobicContact SD-CG 4.44Å; M56-F79 HydrophobicContact SD-CZ 4.46Å; L72-F79 HydrophobicContact CB-CD1 4.08Å; L72-F79 HydrophobicContact CB-CD2 4.3Å; L72-F79 HydrophobicContact CB-CE1 3.59Å; L72-F79 HydrophobicContact CB-CE2 3.85Å; L72-F79 HydrophobicContact CB-CG 4.42Å; L72-F79 HydrophobicContact CB-CZ 3.46Å; L72-F79 VanDerWaalsContact CB-CZ 3.46Å; L72-F79 HydrophobicContact CD1-CE1 4.49Å; L72-F79 HydrophobicContact CD1-CE2 3.59Å; L72-F79 HydrophobicContact CD1-CZ 3.53Å; L72-F79 HydrophobicContact CG-CE2 4.21Å; L72-F79 HydrophobicContact CG-CZ 4.1Å; L72-F79 PolarHBondContact N-O 2.98Å; L72-F79 PolarHBondContact O-N 2.99Å; D74-F79 HydrophobicContact CB-CE1 4.4Å; F79-V81 HydrophobicContact CD2-CG2 3.96Å; F79-V81 HydrophobicContact CE2-CG2 3.8Å; F79-V102 HydrophobicContact CE2-CG1 3.83Å; F79-V102 HydrophobicContact CZ-CG1 4.27Å; F79-E112 WeakPolarHBondContact CA-OE1 3.1Å; F79-E112 PolarHBondContact N-OE1 3.32Å; F79-P113 WeakPolarHBondContact CA-O 3.47Å; F79-P113 HydrophobicContact CB-CB 3.93Å; F79-P113 HydrophobicContact CB-CG 4.37Å; F79-I115 HydrophobicContact CD2-CD1 4.4Å; F79-I115 HydrophobicContact CE2-CD1 4.23Å
80A98.1Very high93Very high20 Ų2052.9 Ų52.917%0.16530%0.299CS..EExtended strand (participates in β ladder)trans-96.6139.5178.500000111.8T69 P113 V114 I115T69-A80 HydrophobicContact CG2-CB 4.49Å; A80-P113 PolarHBondContact N-O 3.38Å; A80-V114 HydrophobicContact CB-CG1 4.43Å; A80-V114 HydrophobicContact CB-CG2 4.27Å; A80-V114 WeakPolarHBondContact O-CA 3.35Å; A80-I115 PolarHBondContact O-N 2.84Å
81V97.9Very high92.2Very high0 Ų059 Ų590%033%0.325CS..EExtended strand (participates in β ladder)trans-119.1115.6176.8-1750000109.1T69 V70 L72 F79 V84 V102 I115 A117 M120T69-V81 CarbonylContact C-O 3.49Å; T69-V81 VanDerWaalsContact CA-O 3.26Å; T69-V81 WeakPolarHBondContact CA-O 3.39Å; V70-V81 PolarHBondContact N-O 3.22Å; V70-V81 PolarHBondContact O-N 3.11Å; L72-V81 HydrophobicContact CD1-CG2 3.62Å; L72-V81 HydrophobicContact CG-CG2 4Å; F79-V81 HydrophobicContact CD2-CG2 3.96Å; F79-V81 HydrophobicContact CE2-CG2 3.8Å; V81-V84 HydrophobicContact CB-CG1 4.26Å; V81-V84 HydrophobicContact CG1-CG1 3.67Å; V81-V102 HydrophobicContact CG1-CG2 3.86Å; V81-V102 HydrophobicContact CG2-CG1 4.28Å; V81-V102 HydrophobicContact CG2-CG2 4.39Å; V81-I115 CarbonylContact C-O 3.57Å; V81-I115 WeakPolarHBondContact CA-O 3.47Å; V81-I115 HydrophobicContact CB-CG1 4.38Å; V81-I115 HydrophobicContact CG1-CG1 4.25Å; V81-I115 HydrophobicContact CG2-CD1 4.09Å; V81-I115 HydrophobicContact CG2-CG1 3.94Å; V81-A117 HydrophobicContact CG1-CB 3.77Å; V81-M120 HydrophobicContact CG1-SD 4.15Å
82Q97Very high91.5Very high84 Ų8460.8 Ų60.839%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-101.4157.4-179.7-65.1178.5-29.200112.1T68 T69 V84 V114 I115 A117T68-Q82 CarbonylContact O-C 3.56Å; T69-Q82 HydrophobicContact CG2-CG 4.1Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-V114 HydrophobicContact CG-CG1 3.91Å; Q82-I115 PolarHBondContact N-O 3Å; Q82-A117 WeakPolarHBondContact O-CB 3.46Å; Q82-A117 PolarHBondContact O-N 3.35Å
83G94.6Very high91Very high14 Ų1461.3 Ų61.314%0.14435%0.346CS..  trans71.925.5175.300000113.9T68 N85 N86T68-G83 PolarHBondContact O-N 3.37Å; G83-N85 PolarHBondContact O-N 3.4Å; G83-N86 PolarHBondContact O-N 3.16Å; G83-N86 VanDerWaalsContact O-N 3.09Å
84V92.3Very high90.5Very high5 Ų560 Ų603%0.0334%0.34CS..G310 helixtrans-65.9-16.3-177.5-64.10000113.7G67 T68 V70 V81 Q82 I87 L94 A117 M120G67-V84 WeakPolarHBondContact O-CG2 3.27Å; T68-V84 VanDerWaalsContact O-CG2 3.27Å; T68-V84 WeakPolarHBondContact O-CG2 3.38Å; T68-V84 PolarHBondContact O-N 3.12Å; T68-V84 VanDerWaalsContact O-N 3.13Å; V70-V84 HydrophobicContact CB-CG1 4.39Å; V70-V84 HydrophobicContact CG2-CB 4.38Å; V70-V84 HydrophobicContact CG2-CG1 4Å; V70-V84 HydrophobicContact CG2-CG2 3.8Å; V81-V84 HydrophobicContact CB-CG1 4.26Å; V81-V84 HydrophobicContact CG1-CG1 3.67Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; V84-I87 WeakPolarHBondContact O-CG1 3.3Å; V84-L94 HydrophobicContact CB-CD1 3.89Å; V84-L94 HydrophobicContact CG2-CD1 3.89Å; V84-A117 HydrophobicContact CG1-CB 4.3Å; V84-M120 HydrophobicContact CB-SD 4.26Å; V84-M120 HydrophobicContact CG1-SD 3.58Å; V84-M120 VanDerWaalsContact CG1-SD 3.58Å
85N89Confident90.3Very high85 Ų8564 Ų6446%0.45536%0.36SS..G310 helixtrans-79.8-16.217561.5-19.6000113.6G83G83-N85 PolarHBondContact O-N 3.4Å
86N87.1Confident90.3Very high136 Ų13663 Ų6373%0.72736%0.364SS*.G310 helixtrans-96.6-0.2-176.1-65.3-39.1000113.8G83G83-N86 PolarHBondContact O-N 3.16Å; G83-N86 VanDerWaalsContact O-N 3.09Å
87I87Confident90.2Very high20 Ų2063.2 Ų63.210%0.10338%0.376CS..SBendtrans-91.7156.8-178.971.2-171.7000111.5V84 K89 A117 M120V84-I87 WeakPolarHBondContact O-CG1 3.3Å; I87-K89 PolarHBondContact O-N 3.23Å; I87-A117 HydrophobicContact CG2-CB 3.65Å; I87-M120 HydrophobicContact CD1-CB 3.57Å; I87-M120 HydrophobicContact CD1-CG 3.52Å; I87-M120 HydrophobicContact CD1-SD 3.85Å
88P81.7Confident90.2Very high102 Ų10265 Ų6566%0.66238%0.378SS*.  trans-55130.2175.4-2635.1000112.2G90P88-G90 PolarHBondContact O-N 3.18Å
89K75Confident90.2Very high202 Ų20263.9 Ų63.988%0.87837%0.37SS*.  trans-79.6105.5-178.2-62.8-176.6-178-179.70110I87I87-K89 PolarHBondContact O-N 3.23Å
90G75.8Confident90.1Very high63 Ų6363.9 Ų63.965%0.64937%0.37SS*.  trans-95.9-149.6166.900000111.7P88P88-G90 PolarHBondContact O-N 3.18Å
91K81.4Confident90.1Very high128 Ų12864 Ų6456%0.55737%0.368SS*.SBendtrans-54.7135169.3-173.6-179.2179-160.80110C93 D122K91-C93 PolarHBondContact O-N 2.99Å; K91-C93 VanDerWaalsContact O-N 3.12Å; K91-D122 HydrophobicContact CD-CB 4.14Å; K91-D122 WeakPolarHBondContact CD-OD2 3.43Å; K91-D122 WeakPolarHBondContact CE-OD2 3.22Å; K91-D122 IonicContact NZ-OD2 2.79Å; K91-D122 PolarHBondContact NZ-OD2 3.34Å
92P83.6Confident90.1Very high103 Ų10364 Ų6467%0.66937%0.368SS*.  trans-55.1119.4177-26.134.4000111.5
93C87.1Confident90.1Very high12 Ų1262.1 Ų62.18%0.08136%0.359CS..  trans-128.2-5.1-173.860.30000114.1K91 L95 K98 V100 D122K91-C93 PolarHBondContact O-N 2.99Å; K91-C93 VanDerWaalsContact O-N 3.12Å; C93-L95 PolarHBondContact O-N 3.14Å; C93-K98 WeakPolarHBondContact O-CB 3.48Å; C93-V100 HydrophobicContact CB-CG1 3.81Å; C93-V100 WeakPolarHBondContact O-CG1 3.26Å; C93-D122 HydrophobicContact CB-CB 3.83Å
94L87.9Confident90.1Very high53 Ų5361.4 Ų61.428%0.27735%0.353SS..  trans-95.860.8-176.9-50.6179.8000110.8V63 V70 V84 M120V63-L94 HydrophobicContact CG2-CB 4.41Å; V63-L94 WeakPolarHBondContact CG2-O 3.48Å; V70-L94 HydrophobicContact CG2-CD2 4.25Å; V84-L94 HydrophobicContact CB-CD1 3.89Å; V84-L94 HydrophobicContact CG2-CD1 3.89Å; L94-M120 HydrophobicContact CD2-CE 3.52Å; L94-M120 HydrophobicContact CD2-SD 3.71Å
95L92.8Very high90.3Very high99 Ų9962.9 Ų62.952%0.51836%0.362SS..SBendtrans-129.1139.3175.6-65.7172.7000109.2V60 C93 G97 K98V60-L95 VanDerWaalsContact CB-O 3.28Å; V60-L95 WeakPolarHBondContact CB-O 3.44Å; V60-L95 WeakPolarHBondContact CG1-O 3.38Å; C93-L95 PolarHBondContact O-N 3.14Å; L95-G97 PolarHBondContact O-N 3.18Å; L95-K98 HydrophobicContact CB-CG 3.88Å; L95-K98 VanDerWaalsContact O-CB 3.26Å; L95-K98 WeakPolarHBondContact O-CB 3.42Å; L95-K98 VanDerWaalsContact O-CG 3.28Å; L95-K98 WeakPolarHBondContact O-CG 3.17Å; L95-K98 PolarHBondContact O-N 2.85Å
96P96Very high90.6Very high89 Ų8959.4 Ų59.458%0.57834%0.343SS*.THydrogen-bonded Turntrans-48.2135174-29.236.4000112.4V60 K98V60-P96 WeakPolarHBondContact O-CA 3.42Å; P96-K98 VanDerWaalsContact C-N 3.34Å
97G96.6Very high90.9Very high58 Ų5857.1 Ų57.160%0.59833%0.328SS*.THydrogen-bonded Turntrans86.4-11.6-177.100000115.5V60 L95V60-G97 PolarHBondContact O-N 3.36Å; L95-G97 PolarHBondContact O-N 3.18Å
98K96.9Very high91.2Very high59 Ų5957.7 Ų57.726%0.25734%0.336SS..  trans-68.7138174.3-69.3-70-177.3178.40111.1T59 V60 C93 L95 P96 V100 S124T59-K98 CarbonylContact C-O 3.51Å; T59-K98 WeakPolarHBondContact CA-O 3.42Å; V60-K98 HydrophobicContact CG2-CB 4.19Å; V60-K98 PolarHBondContact N-O 2.83Å; C93-K98 WeakPolarHBondContact O-CB 3.48Å; L95-K98 HydrophobicContact CB-CG 3.88Å; L95-K98 VanDerWaalsContact O-CB 3.26Å; L95-K98 WeakPolarHBondContact O-CB 3.42Å; L95-K98 VanDerWaalsContact O-CG 3.28Å; L95-K98 WeakPolarHBondContact O-CG 3.17Å; L95-K98 PolarHBondContact O-N 2.85Å; P96-K98 VanDerWaalsContact C-N 3.34Å; K98-V100 HydrophobicContact CB-CG1 4.16Å; K98-S124 WeakPolarHBondContact CD-OG 2.95Å
99Y97.9Very high91.8Very high9 Ų953.3 Ų53.34%0.03531%0.307CS..EExtended strand (participates in β ladder)trans-95.6125.4170-167.9-106.1000109Q57 G58 L123 S124 A127 H130 R131Q57-Y99 HydrophobicContact CB-CE1 4.27Å; Q57-Y99 WeakPolarHBondContact CB-OH 3.48Å; Q57-Y99 PolarHBondContact OE1-OH 3.45Å; G58-Y99 WeakPolarHBondContact O-CD2 3.3Å; Y99-L123 HydrophobicContact CD1-CB 3.84Å; Y99-L123 HydrophobicContact CE1-CB 4.44Å; Y99-L123 HydrophobicContact CE1-CD1 4.37Å; Y99-L123 CarbonylContact O-C 3.55Å; Y99-L123 WeakPolarHBondContact O-CA 3.4Å; Y99-L123 PolarHBondContact O-N 2.7Å; Y99-S124 PolarHBondContact N-OG 3.28Å; Y99-S124 VanDerWaalsContact N-OG 3.08Å; Y99-S124 PolarHBondContact O-N 2.89Å; Y99-S124 PolarHBondContact O-OG 2.89Å; Y99-A127 HydrophobicContact CD1-CB 4.33Å; Y99-A127 HydrophobicContact CG-CB 4.12Å; Y99-H130 HydrophobicContact CD1-CB 4.07Å; Y99-H130 HydrophobicContact CE1-CB 3.56Å; Y99-R131 HydrophobicContact CE2-CB 4.29Å
100V97.5Very high92.5Very high0 Ų046.2 Ų46.20%028%0.283CS..EExtended strand (participates in β ladder)trans-135.1154.2-169.8-58.20000111.5Q57 G58 V60 L72 C93 K98 M120 A121Q57-V100 VanDerWaalsContact CA-O 3.28Å; Q57-V100 WeakPolarHBondContact CA-O 3.34Å; G58-V100 PolarHBondContact N-O 3.1Å; G58-V100 PolarHBondContact O-N 3.23Å; V60-V100 HydrophobicContact CG2-CG1 4.16Å; V60-V100 HydrophobicContact CG2-CG2 4.16Å; L72-V100 HydrophobicContact CD1-CG2 3.85Å; L72-V100 HydrophobicContact CD2-CG2 3.73Å; C93-V100 HydrophobicContact CB-CG1 3.81Å; C93-V100 WeakPolarHBondContact O-CG1 3.26Å; K98-V100 HydrophobicContact CB-CG1 4.16Å; V100-M120 HydrophobicContact CG2-CE 3.89Å; V100-A121 VanDerWaalsContact CA-O 3.28Å; V100-A121 WeakPolarHBondContact CA-O 3.35Å; V100-A121 WeakPolarHBondContact CB-O 3.45Å
101M97.1Very high93.2Very high22 Ų2248.6 Ų48.611%0.10829%0.287CS..EExtended strand (participates in β ladder)trans-97.2150.9159.164.282.3139.200110.6W55 M56 Q57 K119 M120 A121 L123W55-M101 HydrophobicContact CZ2-CE 4.35Å; M56-M101 WeakPolarHBondContact O-CA 3.46Å; Q57-M101 HydrophobicContact CG-CB 4Å; M101-K119 HydrophobicContact CE-CD 4.47Å; M101-M120 VanDerWaalsContact O-CA 3.24Å; M101-M120 WeakPolarHBondContact O-CA 3.28Å; M101-A121 HydrophobicContact CE-CB 3.72Å; M101-A121 HydrophobicContact CG-CB 3.85Å; M101-A121 PolarHBondContact N-O 2.85Å; M101-A121 PolarHBondContact O-N 3.46Å; M101-A121 VanDerWaalsContact O-N 3.08Å; M101-A121 HydrophobicContact SD-CB 3.81Å; M101-L123 HydrophobicContact CB-CD1 3.75Å; M101-L123 HydrophobicContact CB-CG 4.34Å; M101-L123 HydrophobicContact CG-CD1 4.11Å; M101-L123 HydrophobicContact CG-CG 4.25Å
102V97.2Very high93.8Very high0 Ų045.1 Ų45.10%027%0.273CS..EExtended strand (participates in β ladder)trans-137.4128.1172.457.30000110W55 M56 L72 F79 V81 I115 K119 M120W55-V102 WeakPolarHBondContact CA-O 3.49Å; M56-V102 HydrophobicContact CB-CG1 3.91Å; M56-V102 PolarHBondContact N-O 3Å; M56-V102 PolarHBondContact O-N 2.87Å; L72-V102 HydrophobicContact CD1-CG1 3.92Å; F79-V102 HydrophobicContact CE2-CG1 3.83Å; F79-V102 HydrophobicContact CZ-CG1 4.27Å; V81-V102 HydrophobicContact CG1-CG2 3.86Å; V81-V102 HydrophobicContact CG2-CG1 4.28Å; V81-V102 HydrophobicContact CG2-CG2 4.39Å; V102-I115 HydrophobicContact CB-CD1 4.38Å; V102-I115 HydrophobicContact CG1-CD1 3.7Å; V102-I115 HydrophobicContact CG2-CD1 3.73Å; V102-K119 CarbonylContact C-O 3.57Å; V102-K119 WeakPolarHBondContact CA-O 3.35Å; V102-M120 HydrophobicContact CB-CE 4.44Å; V102-M120 HydrophobicContact CB-CG 3.94Å; V102-M120 HydrophobicContact CG2-CG 3.76Å; V102-M120 HydrophobicContact CG2-SD 4.38Å
103M96.9Very high94.5Very high45 Ų4540.2 Ų40.222%0.22224%0.241CC..EExtended strand (participates in β ladder)trans-97.1128.2162.1-175.2173.974.700107.8P16 L53 V54 V118 K119P16-M103 HydrophobicContact CB-CG 3.93Å; P16-M103 HydrophobicContact CB-SD 3.92Å; P16-M103 HydrophobicContact CG-CG 4.49Å; P16-M103 HydrophobicContact CG-SD 3.82Å; L53-M103 HydrophobicContact CD1-CG 4.18Å; L53-M103 HydrophobicContact CD2-SD 4.44Å; L53-M103 HydrophobicContact CG-CG 4.38Å; V54-M103 CarbonylContact O-C 3.56Å; V54-M103 VanDerWaalsContact O-CA 3.26Å; V54-M103 WeakPolarHBondContact O-CA 3.31Å; M103-V118 HydrophobicContact CE-CB 3.93Å; M103-V118 HydrophobicContact CE-CG1 3.41Å; M103-V118 VanDerWaalsContact CE-CG1 3.41Å; M103-V118 WeakPolarHBondContact O-CA 3.22Å; M103-V118 WeakPolarHBondContact O-CB 3.45Å; M103-V118 PolarHBondContact O-N 3.26Å; M103-K119 HydrophobicContact CB-CB 4.23Å; M103-K119 HydrophobicContact CE-CB 4.18Å; M103-K119 PolarHBondContact N-O 3.47Å; M103-K119 PolarHBondContact O-N 2.97Å; M103-K119 VanDerWaalsContact O-N 3.1Å
104G96.2Very high95Very high0 Ų040.9 Ų40.90%025%0.245CC..EExtended strand (participates in β ladder)trans-155.3157.9-175.100000114.4V54 R116V54-G104 WeakPolarHBondContact CG2-O 3.24Å; V54-G104 PolarHBondContact N-O 2.9Å; V54-G104 PolarHBondContact O-N 2.61Å; G104-R116 CarbonylContact C-O 3.52Å; G104-R116 WeakPolarHBondContact CA-O 3.3Å
105V95.6Very high95.4Very high36 Ų3638.4 Ų38.422%0.21823%0.232CC..EExtended strand (participates in β ladder)trans-89.6125174.8-1790000108.8S52 L53 Q107 I115 R116 V118S52-V105 CarbonylContact O-C 3.58Å; S52-V105 WeakPolarHBondContact O-CA 3.32Å; L53-V105 HydrophobicContact CD1-CG2 3.91Å; V105-Q107 PolarHBondContact O-N 2.89Å; V105-Q107 PolarHBondContact O-NE2 2.73Å; V105-I115 CarbonylContact O-C 3.49Å; V105-I115 WeakPolarHBondContact O-CA 3.48Å; V105-R116 PolarHBondContact N-O 3.31Å; V105-R116 PolarHBondContact O-N 2.92Å; V105-V118 HydrophobicContact CG2-CG2 4.07Å
106V94.8Very high95.6Very high11 Ų1140.3 Ų40.37%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-64127.2179.3-170.20000110L24 Y39 S52 V54 V109 I115L24-V106 HydrophobicContact CD2-CG2 4.38Å; Y39-V106 HydrophobicContact CD2-CB 3.82Å; Y39-V106 HydrophobicContact CD2-CG1 3.44Å; Y39-V106 VanDerWaalsContact CD2-CG1 3.44Å; Y39-V106 HydrophobicContact CE2-CB 3.84Å; Y39-V106 HydrophobicContact CE2-CG1 3.39Å; Y39-V106 HydrophobicContact CG-CG1 4.37Å; S52-V106 PolarHBondContact O-N 3.28Å; V54-V106 HydrophobicContact CB-CG2 4.4Å; V54-V106 HydrophobicContact CG1-CG2 3.56Å; V54-V106 HydrophobicContact CG2-CG2 3.93Å; V106-V109 HydrophobicContact CG1-CG1 3.59Å; V106-I115 HydrophobicContact CG2-CG2 4.41Å
107Q94.5Very high95.6Very high88 Ų8836.7 Ų36.741%0.41121%0.21SC..EExtended strand (participates in β ladder)trans-108.4-37.8177.6-60.7-57-60.400111.7Y39 V105 V114 R116Y39-Q107 PolarHBondContact OH-O 2.92Å; Y39-Q107 VanDerWaalsContact OH-O 3.05Å; V105-Q107 PolarHBondContact O-N 2.89Å; V105-Q107 PolarHBondContact O-NE2 2.73Å; Q107-V114 HydrophobicContact CB-CB 4.42Å; Q107-V114 HydrophobicContact CB-CG1 4.33Å; Q107-V114 PolarHBondContact N-O 2.76Å; Q107-R116 HydrophobicContact CG-CB 3.98Å
108A93.1Very high95.6Very high33 Ų3336.8 Ų36.827%0.27320%0.199SC..EExtended strand (participates in β ladder)trans-148.8154.2175.700000109.5P113 V114A108-P113 WeakPolarHBondContact O-CA 3.42Å; A108-V114 HydrophobicContact CB-CB 4.05Å; A108-V114 HydrophobicContact CB-CG2 4.1Å; A108-V114 PolarHBondContact N-O 3.08Å; A108-V114 VanDerWaalsContact N-O 3.11Å; A108-V114 PolarHBondContact O-N 3.38Å
109V93.8Very high95.4Very high10 Ų1039.4 Ų39.46%0.06121%0.21CC..  trans-119.4-20.2-178.4-66.70000113.5L24 R25 Y39 V106L24-V109 CarbonylContact C-O 3.45Å; L24-V109 HydrophobicContact CB-CB 4.34Å; L24-V109 HydrophobicContact CB-CG1 4.19Å; L24-V109 HydrophobicContact CD2-CG1 4.23Å; L24-V109 WeakPolarHBondContact O-CB 3.28Å; R25-V109 WeakPolarHBondContact CA-O 3.26Å; R25-V109 PolarHBondContact N-O 2.82Å; Y39-V109 HydrophobicContact CD1-CB 4.19Å; Y39-V109 HydrophobicContact CD1-CG1 3.46Å; Y39-V109 VanDerWaalsContact CD1-CG1 3.46Å; Y39-V109 HydrophobicContact CD1-CG2 3.62Å; Y39-V109 HydrophobicContact CD2-CG1 3.8Å; Y39-V109 HydrophobicContact CE1-CB 4.32Å; Y39-V109 HydrophobicContact CE1-CG1 3.76Å; Y39-V109 HydrophobicContact CE1-CG2 3.66Å; Y39-V109 HydrophobicContact CE2-CG1 4.08Å; Y39-V109 HydrophobicContact CG-CG1 3.47Å; Y39-V109 VanDerWaalsContact CG-CG1 3.47Å; Y39-V109 HydrophobicContact CG-CG2 4.47Å; V106-V109 HydrophobicContact CG1-CG1 3.59Å
110S88.9Confident95.3Very high52 Ų5239.6 Ų39.636%0.36421%0.211SC..SBendtrans-151.5148.3-176.2177.80000110.3E112S110-E112 VanDerWaalsContact C-N 3.33Å
111P90.7Very high95.1Very high114 Ų11441 Ų4174%0.7422%0.223SC*.SBendcis-70.9-25.4-0.929.5-35.6000113.5R25R25-P111 PolarHBondContact NE-O 3Å
112E95.5Very high95.1Very high55 Ų5541.1 Ų41.126%0.25722%0.224SC..SBendtrans-118127.7177-174.963.3-175.300109.2R25 T78 F79 S110 V114R25-E112 IonicContact CZ-OE2 3.82Å; R25-E112 IonicContact NE-OE2 3.92Å; R25-E112 IonicContact NH2-OE1 3.88Å; R25-E112 IonicContact NH2-OE2 2.85Å; R25-E112 PolarHBondContact NH2-OE2 2.72Å; T78-E112 WeakPolarHBondContact CA-OE1 3.49Å; T78-E112 WeakPolarHBondContact CB-OE1 3.36Å; T78-E112 PolarHBondContact OG1-OE1 2.66Å; T78-E112 PolarHBondContact OG1-OE2 3.16Å; T78-E112 VanDerWaalsContact OG1-OE2 3.1Å; F79-E112 WeakPolarHBondContact CA-OE1 3.1Å; F79-E112 PolarHBondContact N-OE1 3.32Å; S110-E112 VanDerWaalsContact C-N 3.33Å; E112-V114 PolarHBondContact O-N 3.36Å
113P97.3Very high95.1Very high0 Ų042.8 Ų42.80%023%0.233CC..  trans-64.1135.7176.3-2031.7000111.3S21 L24 R25 F79 A80 A108S21-P113 WeakPolarHBondContact O-CG 3.3Å; L24-P113 HydrophobicContact CB-CB 3.97Å; L24-P113 HydrophobicContact CB-CG 3.97Å; L24-P113 HydrophobicContact CD1-CB 4Å; R25-P113 HydrophobicContact CB-CG 4.24Å; F79-P113 WeakPolarHBondContact CA-O 3.47Å; F79-P113 HydrophobicContact CB-CB 3.93Å; F79-P113 HydrophobicContact CB-CG 4.37Å; A80-P113 PolarHBondContact N-O 3.38Å; A108-P113 WeakPolarHBondContact O-CA 3.42Å
114V97.4Very high95.1Very high26 Ų2642.1 Ų42.116%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-126.8127.6176.8-173.10000109A80 Q82 Q107 A108 E112A80-V114 HydrophobicContact CB-CG1 4.43Å; A80-V114 HydrophobicContact CB-CG2 4.27Å; A80-V114 WeakPolarHBondContact O-CA 3.35Å; Q82-V114 HydrophobicContact CG-CG1 3.91Å; Q107-V114 HydrophobicContact CB-CB 4.42Å; Q107-V114 HydrophobicContact CB-CG1 4.33Å; Q107-V114 PolarHBondContact N-O 2.76Å; A108-V114 HydrophobicContact CB-CB 4.05Å; A108-V114 HydrophobicContact CB-CG2 4.1Å; A108-V114 PolarHBondContact N-O 3.08Å; A108-V114 VanDerWaalsContact N-O 3.11Å; A108-V114 PolarHBondContact O-N 3.38Å; E112-V114 PolarHBondContact O-N 3.36Å
115I97.4Very high95.1Very high0 Ų049.3 Ų49.30%027%0.266CS..EExtended strand (participates in β ladder)trans-123146.1173.970.1176.3000110.6V54 M56 F79 A80 V81 Q82 V102 V105 V106V54-I115 HydrophobicContact CG2-CD1 4.41Å; V54-I115 HydrophobicContact CG2-CG2 3.93Å; M56-I115 HydrophobicContact SD-CD1 4.15Å; M56-I115 HydrophobicContact SD-CG2 4.21Å; F79-I115 HydrophobicContact CD2-CD1 4.4Å; F79-I115 HydrophobicContact CE2-CD1 4.23Å; A80-I115 PolarHBondContact O-N 2.84Å; V81-I115 CarbonylContact C-O 3.57Å; V81-I115 WeakPolarHBondContact CA-O 3.47Å; V81-I115 HydrophobicContact CB-CG1 4.38Å; V81-I115 HydrophobicContact CG1-CG1 4.25Å; V81-I115 HydrophobicContact CG2-CD1 4.09Å; V81-I115 HydrophobicContact CG2-CG1 3.94Å; Q82-I115 PolarHBondContact N-O 3Å; V102-I115 HydrophobicContact CB-CD1 4.38Å; V102-I115 HydrophobicContact CG1-CD1 3.7Å; V102-I115 HydrophobicContact CG2-CD1 3.73Å; V105-I115 CarbonylContact O-C 3.49Å; V105-I115 WeakPolarHBondContact O-CA 3.48Å; V106-I115 HydrophobicContact CG2-CG2 4.41Å
116R96.8Very high95.1Very high140 Ų14053.1 Ų53.153%0.52828%0.28SS..EExtended strand (participates in β ladder)trans-91.4122.1168.8-176.8174.461.8153.5-1.9109.2G104 V105 Q107G104-R116 CarbonylContact C-O 3.52Å; G104-R116 WeakPolarHBondContact CA-O 3.3Å; V105-R116 PolarHBondContact N-O 3.31Å; V105-R116 PolarHBondContact O-N 2.92Å; Q107-R116 HydrophobicContact CG-CB 3.98Å
117A96.3Very high95.2Very high13 Ų1353.8 Ų53.811%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-61.5136.7-177.200000112V81 Q82 V84 I87V81-A117 HydrophobicContact CG1-CB 3.77Å; Q82-A117 WeakPolarHBondContact O-CB 3.46Å; Q82-A117 PolarHBondContact O-N 3.35Å; V84-A117 HydrophobicContact CG1-CB 4.3Å; I87-A117 HydrophobicContact CG2-CB 3.65Å
118V95Very high95.3Very high60 Ų6053 Ų5336%0.36430%0.295SS..EExtended strand (participates in β ladder)trans-111.3-40.8166.8179.90000109.7L53 M103 V105L53-V118 HydrophobicContact CD1-CG2 4.12Å; M103-V118 HydrophobicContact CE-CB 3.93Å; M103-V118 HydrophobicContact CE-CG1 3.41Å; M103-V118 VanDerWaalsContact CE-CG1 3.41Å; M103-V118 WeakPolarHBondContact O-CA 3.22Å; M103-V118 WeakPolarHBondContact O-CB 3.45Å; M103-V118 PolarHBondContact O-N 3.26Å; V105-V118 HydrophobicContact CG2-CG2 4.07Å
119K93.8Very high95.5Very high113 Ų11355.9 Ų55.949%0.49131%0.305SS..EExtended strand (participates in β ladder)trans-150.4145.8176.7-174.6175.3-179178.50109.9M101 V102 M103M101-K119 HydrophobicContact CE-CD 4.47Å; V102-K119 CarbonylContact C-O 3.57Å; V102-K119 WeakPolarHBondContact CA-O 3.35Å; M103-K119 HydrophobicContact CB-CB 4.23Å; M103-K119 HydrophobicContact CE-CB 4.18Å; M103-K119 PolarHBondContact N-O 3.47Å; M103-K119 PolarHBondContact O-N 2.97Å; M103-K119 VanDerWaalsContact O-N 3.1Å
120M94.9Very high95.7Very high13 Ų1357.7 Ų57.76%0.06431%0.313CS..EExtended strand (participates in β ladder)trans-134151.2168.2-63.3-178.27100110L72 V81 V84 I87 L94 V100 M101 V102L72-M120 HydrophobicContact CD1-CE 4.39Å; V81-M120 HydrophobicContact CG1-SD 4.15Å; V84-M120 HydrophobicContact CB-SD 4.26Å; V84-M120 HydrophobicContact CG1-SD 3.58Å; V84-M120 VanDerWaalsContact CG1-SD 3.58Å; I87-M120 HydrophobicContact CD1-CB 3.57Å; I87-M120 HydrophobicContact CD1-CG 3.52Å; I87-M120 HydrophobicContact CD1-SD 3.85Å; L94-M120 HydrophobicContact CD2-CE 3.52Å; L94-M120 HydrophobicContact CD2-SD 3.71Å; V100-M120 HydrophobicContact CG2-CE 3.89Å; M101-M120 VanDerWaalsContact O-CA 3.24Å; M101-M120 WeakPolarHBondContact O-CA 3.28Å; V102-M120 HydrophobicContact CB-CE 4.44Å; V102-M120 HydrophobicContact CB-CG 3.94Å; V102-M120 HydrophobicContact CG2-CG 3.76Å; V102-M120 HydrophobicContact CG2-SD 4.38Å
121A95.1Very high96.1Very high30 Ų3061.5 Ų61.525%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-146146173.800000111.7V100 M101V100-A121 VanDerWaalsContact CA-O 3.28Å; V100-A121 WeakPolarHBondContact CA-O 3.35Å; V100-A121 WeakPolarHBondContact CB-O 3.45Å; M101-A121 HydrophobicContact CE-CB 3.72Å; M101-A121 HydrophobicContact CG-CB 3.85Å; M101-A121 PolarHBondContact N-O 2.85Å; M101-A121 PolarHBondContact O-N 3.46Å; M101-A121 VanDerWaalsContact O-N 3.08Å; M101-A121 HydrophobicContact SD-CB 3.81Å
122D95.6Very high96.3Very high25 Ų2562.9 Ų62.913%0.13432%0.316CS..EExtended strand (participates in β ladder)trans-69127172.6-172.521.2000110.5K91 C93 S124K91-D122 HydrophobicContact CD-CB 4.14Å; K91-D122 WeakPolarHBondContact CD-OD2 3.43Å; K91-D122 WeakPolarHBondContact CE-OD2 3.22Å; K91-D122 IonicContact NZ-OD2 2.79Å; K91-D122 PolarHBondContact NZ-OD2 3.34Å; C93-D122 HydrophobicContact CB-CB 3.83Å; D122-S124 WeakPolarHBondContact OD1-CB 3.37Å; D122-S124 PolarHBondContact OD1-N 3.49Å; D122-S124 PolarHBondContact OD1-OG 3.27Å
123L96.8Very high96.4Very high34 Ų3464 Ų6418%0.17832%0.322CS..  trans-118.416.2172-64.9-175.8000111.2Q57 Y99 M101 E125 A127 H130Q57-L123 HydrophobicContact CG-CD1 4.35Å; Q57-L123 VanDerWaalsContact OE1-CD1 3.28Å; Y99-L123 HydrophobicContact CD1-CB 3.84Å; Y99-L123 HydrophobicContact CE1-CB 4.44Å; Y99-L123 HydrophobicContact CE1-CD1 4.37Å; Y99-L123 CarbonylContact O-C 3.55Å; Y99-L123 WeakPolarHBondContact O-CA 3.4Å; Y99-L123 PolarHBondContact O-N 2.7Å; M101-L123 HydrophobicContact CB-CD1 3.75Å; M101-L123 HydrophobicContact CB-CG 4.34Å; M101-L123 HydrophobicContact CG-CD1 4.11Å; M101-L123 HydrophobicContact CG-CG 4.25Å; L123-E125 VanDerWaalsContact C-N 3.3Å; L123-E125 PolarHBondContact O-N 3.12Å; L123-A127 PolarHBondContact O-N 2.84Å; L123-H130 PolarHBondContact O-CD2 2.89Å
124S96.9Very high96.5Very high31 Ų3164.1 Ų64.122%0.21732%0.323CS..G310 helixtrans-68.2-24.9-169-58.70000114.5K98 Y99 D122 F126 A127K98-S124 WeakPolarHBondContact CD-OG 2.95Å; Y99-S124 PolarHBondContact N-OG 3.28Å; Y99-S124 VanDerWaalsContact N-OG 3.08Å; Y99-S124 PolarHBondContact O-N 2.89Å; Y99-S124 PolarHBondContact O-OG 2.89Å; D122-S124 WeakPolarHBondContact OD1-CB 3.37Å; D122-S124 PolarHBondContact OD1-N 3.49Å; D122-S124 PolarHBondContact OD1-OG 3.27Å; S124-F126 VanDerWaalsContact C-N 3.29Å; S124-F126 PolarHBondContact O-N 2.82Å; S124-A127 PolarHBondContact O-N 2.87Å
125E96.6Very high96.4Very high152 Ų15267.1 Ų67.171%0.7133%0.333SS*.G310 helixtrans-60.3-38.7-177.7-171.9174.317600112.3L123L123-E125 VanDerWaalsContact C-N 3.3Å; L123-E125 PolarHBondContact O-N 3.12Å
126F96.8Very high96.3Very high116 Ų11671.5 Ų71.551%0.50936%0.356SS..G310 helixtrans-121.136.2177.6-55.7-73.8000111.5S124 A128 L129 H130S124-F126 VanDerWaalsContact C-N 3.29Å; S124-F126 PolarHBondContact O-N 2.82Å; F126-A128 PolarHBondContact O-N 2.89Å; F126-A128 VanDerWaalsContact O-N 3.11Å; F126-L129 HydrophobicContact CB-CB 4.39Å; F126-L129 PolarHBondContact O-N 2.82Å; F126-H130 PolarHBondContact O-CD2 2.79Å; F126-H130 VanDerWaalsContact O-CD2 3.25Å; F126-H130 PolarHBondContact O-N 2.94Å
127A96.5Very high96.4Very high24 Ų2466.8 Ų66.820%0.19834%0.34CS..Hα-helixtrans-51.8-39.6-173.600000113.4Y99 L123 S124 R131Y99-A127 HydrophobicContact CD1-CB 4.33Å; Y99-A127 HydrophobicContact CG-CB 4.12Å; L123-A127 PolarHBondContact O-N 2.84Å; S124-A127 PolarHBondContact O-N 2.87Å; A127-R131 WeakPolarHBondContact O-CB 3.34Å; A127-R131 PolarHBondContact O-N 2.91Å
128A96.6Very high96.4Very high71 Ų7166.3 Ų66.359%0.58734%0.336SS*.Hα-helixtrans-62.1-47.2178.500000111.9F126 Q132F126-A128 PolarHBondContact O-N 2.89Å; F126-A128 VanDerWaalsContact O-N 3.11Å; A128-Q132 VanDerWaalsContact O-CG 3.31Å; A128-Q132 WeakPolarHBondContact O-CG 3.48Å; A128-Q132 PolarHBondContact O-N 2.83Å; A128-Q132 VanDerWaalsContact O-N 3.13Å
129L97.8Very high96.4Very high94 Ų9467.5 Ų67.549%0.49234%0.337SS..Hα-helixtrans-67.1-48.6178.617963.6000111F126 R131 Q132 M133F126-L129 HydrophobicContact CB-CB 4.39Å; F126-L129 PolarHBondContact O-N 2.82Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 3.16Å; L129-Q132 PolarHBondContact O-N 3.39Å; L129-M133 HydrophobicContact CD1-CG 3.99Å; L129-M133 HydrophobicContact CG-CG 4.35Å; L129-M133 WeakPolarHBondContact O-CB 3.41Å; L129-M133 WeakPolarHBondContact O-CG 3.42Å; L129-M133 PolarHBondContact O-N 3.28Å
130H97.7Very high96.5Very high49 Ų4968.3 Ų68.323%0.22734%0.343CS..Hα-helixtrans-60.1-41.3179.5-67.6-56.1000111.9Y99 L123 F126 Q132 M133 W134Y99-H130 HydrophobicContact CD1-CB 4.07Å; Y99-H130 HydrophobicContact CE1-CB 3.56Å; L123-H130 PolarHBondContact O-CD2 2.89Å; F126-H130 PolarHBondContact O-CD2 2.79Å; F126-H130 VanDerWaalsContact O-CD2 3.25Å; F126-H130 PolarHBondContact O-N 2.94Å; H130-Q132 PolarHBondContact O-N 3.09Å; H130-M133 PolarHBondContact O-N 3.36Å; H130-W134 VanDerWaalsContact O-CB 3.29Å; H130-W134 WeakPolarHBondContact O-CB 3.28Å; H130-W134 PolarHBondContact O-N 3Å
131R96Very high96.5Very high131 Ų13170 Ų7049%0.49435%0.352SS..Hα-helixtrans-62.6-42.2176.3-174.3-176.7-66.6169.9-3.8112.3T59 Y99 A127 L129T59-R131 PolarHBondContact OG1-NH2 3.13Å; Y99-R131 HydrophobicContact CE2-CB 4.29Å; A127-R131 WeakPolarHBondContact O-CB 3.34Å; A127-R131 PolarHBondContact O-N 2.91Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 3.16Å
132Q96.1Very high96.4Very high143 Ų14368.8 Ų68.867%0.66834%0.341SS*.Hα-helixtrans-65.6-41.3176.9-74.4173.3-15.700112A128 L129 H130A128-Q132 VanDerWaalsContact O-CG 3.31Å; A128-Q132 WeakPolarHBondContact O-CG 3.48Å; A128-Q132 PolarHBondContact O-N 2.83Å; A128-Q132 VanDerWaalsContact O-N 3.13Å; L129-Q132 PolarHBondContact O-N 3.39Å; H130-Q132 PolarHBondContact O-N 3.09Å
133M98Very high96.3Very high78 Ų7872.6 Ų72.638%0.38436%0.358SS..Hα-helixtrans-76.6-28.5-178.1-68.4-57.1-59.900113.1L129 H130 K135 L136 E137L129-M133 HydrophobicContact CD1-CG 3.99Å; L129-M133 HydrophobicContact CG-CG 4.35Å; L129-M133 WeakPolarHBondContact O-CB 3.41Å; L129-M133 WeakPolarHBondContact O-CG 3.42Å; L129-M133 PolarHBondContact O-N 3.28Å; H130-M133 PolarHBondContact O-N 3.36Å; M133-K135 VanDerWaalsContact C-N 3.34Å; M133-K135 PolarHBondContact O-N 3.33Å; M133-L136 HydrophobicContact CE-CD1 4.37Å; M133-L136 WeakPolarHBondContact O-CA 3.36Å; M133-L136 WeakPolarHBondContact O-CB 3.21Å; M133-L136 PolarHBondContact O-N 3.48Å; M133-L136 HydrophobicContact SD-CD1 4.16Å; M133-E137 WeakPolarHBondContact O-CG 3.24Å; M133-E137 PolarHBondContact O-N 2.99Å
134W98Very high96Very high4 Ų476.6 Ų76.62%0.01538%0.384CS..Hα-helixtrans-56.4-44.4-169-179.9-123.7000113.6K18 W55 Q57 H130 L136 E137 V138K18-W134 HydrophobicContact CB-CH2 3.59Å; K18-W134 HydrophobicContact CB-CZ2 4.28Å; K18-W134 HydrophobicContact CB-CZ3 4.14Å; K18-W134 HydrophobicContact CD-CH2 4.01Å; K18-W134 HydrophobicContact CD-CZ3 3.7Å; K18-W134 HydrophobicContact CG-CH2 3.63Å; K18-W134 HydrophobicContact CG-CZ3 3.86Å; W55-W134 HydrophobicContact CB-CH2 4.34Å; W55-W134 AromaticContact CD1-CH2 3.24Å; W55-W134 AromaticContact CD1-CZ3 3.71Å; W55-W134 AromaticContact CG-CH2 3.93Å; W55-W134 HydrophobicContact CG-CH2 3.93Å; W55-W134 HydrophobicContact CG-CZ3 4.46Å; W55-W134 AromaticContact NE1-CH2 3.85Å; W55-W134 AromaticContact NE1-CZ3 3.82Å; W55-W134 WeakPolarHBondContact O-CH2 3.5Å; W55-W134 VanDerWaalsContact O-CZ2 3.3Å; W55-W134 WeakPolarHBondContact O-CZ2 3.21Å; Q57-W134 HydrophobicContact CB-CD2 3.84Å; Q57-W134 HydrophobicContact CB-CE3 4.38Å; Q57-W134 HydrophobicContact CB-CG 3.98Å; Q57-W134 HydrophobicContact CB-CZ2 4.44Å; Q57-W134 HydrophobicContact CG-CD2 3.6Å; Q57-W134 HydrophobicContact CG-CE3 3.63Å; Q57-W134 HydrophobicContact CG-CG 4.2Å; Q57-W134 HydrophobicContact CG-CH2 4.05Å; Q57-W134 HydrophobicContact CG-CZ2 4.05Å; Q57-W134 HydrophobicContact CG-CZ3 3.84Å; Q57-W134 VanDerWaalsContact NE2-CZ3 3.26Å; H130-W134 VanDerWaalsContact O-CB 3.29Å; H130-W134 WeakPolarHBondContact O-CB 3.28Å; H130-W134 PolarHBondContact O-N 3Å; W134-L136 VanDerWaalsContact C-N 3.35Å; W134-L136 PolarHBondContact O-N 3.39Å; W134-E137 HydrophobicContact CE3-CB 4.33Å; W134-E137 PolarHBondContact O-N 2.86Å; W134-V138 HydrophobicContact CD2-CG2 4.02Å; W134-V138 HydrophobicContact CE3-CG2 4.37Å; W134-V138 HydrophobicContact CH2-CG2 4.08Å; W134-V138 HydrophobicContact CZ2-CG2 3.64Å; W134-V138 HydrophobicContact CZ3-CG2 4.42Å; W134-V138 VanDerWaalsContact O-CG2 3.26Å; W134-V138 WeakPolarHBondContact O-CG2 3.35Å; W134-V138 PolarHBondContact O-N 3.38Å
135K95.4Very high95.7Very high88 Ų8878.9 Ų78.938%0.38339%0.393SS..Hα-helixtrans-59.4-45.9175.8-171.4-179.3-179.5172.30112.3L20 E75 M133 E137 V138 E139L20-K135 HydrophobicContact CD1-CG 4.44Å; E75-K135 WeakPolarHBondContact OE1-CB 3.26Å; E75-K135 VanDerWaalsContact OE1-CD 3.24Å; E75-K135 WeakPolarHBondContact OE1-CD 3.3Å; E75-K135 WeakPolarHBondContact OE1-CG 3.46Å; M133-K135 VanDerWaalsContact C-N 3.34Å; M133-K135 PolarHBondContact O-N 3.33Å; K135-E137 VanDerWaalsContact C-N 3.34Å; K135-V138 WeakPolarHBondContact O-CB 3.18Å; K135-V138 PolarHBondContact O-N 2.82Å; K135-E139 WeakPolarHBondContact CE-OE1 3.48Å; K135-E139 WeakPolarHBondContact O-CG 3.4Å; K135-E139 PolarHBondContact O-N 2.79Å
136L96.8Very high95Very high92 Ų9274.4 Ų74.448%0.48238%0.376SS..Hα-helixtrans-63.9-42.2-179.8-58174.9000110.7M133 W134 V138 E139 E140M133-L136 HydrophobicContact CE-CD1 4.37Å; M133-L136 WeakPolarHBondContact O-CA 3.36Å; M133-L136 WeakPolarHBondContact O-CB 3.21Å; M133-L136 PolarHBondContact O-N 3.48Å; M133-L136 HydrophobicContact SD-CD1 4.16Å; W134-L136 VanDerWaalsContact C-N 3.35Å; W134-L136 PolarHBondContact O-N 3.39Å; L136-V138 VanDerWaalsContact C-N 3.33Å; L136-V138 PolarHBondContact O-N 3.04Å; L136-E139 PolarHBondContact O-N 2.56Å; L136-E140 VanDerWaalsContact O-CB 3.3Å; L136-E140 WeakPolarHBondContact O-CB 3.4Å; L136-E140 PolarHBondContact O-N 3.08Å
137E97.8Very high95Very high42 Ų4272.4 Ų72.420%0.19637%0.37CS..Hα-helixtrans-63.2-38.1175.8-71.4-177.6-137.800112.7K18 M133 W134 K135 L141K18-E137 HydrophobicContact CD-CB 4.13Å; K18-E137 IonicContact NZ-OE2 2.7Å; K18-E137 PolarHBondContact NZ-OE2 3.22Å; M133-E137 WeakPolarHBondContact O-CG 3.24Å; M133-E137 PolarHBondContact O-N 2.99Å; W134-E137 HydrophobicContact CE3-CB 4.33Å; W134-E137 PolarHBondContact O-N 2.86Å; K135-E137 VanDerWaalsContact C-N 3.34Å; E137-L141 WeakPolarHBondContact O-CB 3.45Å; E137-L141 PolarHBondContact O-N 3.27Å; E137-L141 VanDerWaalsContact O-N 3.16Å
138V96.7Very high94.9Very high2 Ų274.9 Ų74.91%0.01238%0.379CS..Hα-helixtrans-65.2-48.4174.5170.10000110K18 L20 W134 K135 L136 Q142K18-V138 HydrophobicContact CB-CG2 3.94Å; L20-V138 HydrophobicContact CG-CG1 4.34Å; L20-V138 HydrophobicContact CG-CG2 4.35Å; W134-V138 HydrophobicContact CD2-CG2 4.02Å; W134-V138 HydrophobicContact CE3-CG2 4.37Å; W134-V138 HydrophobicContact CH2-CG2 4.08Å; W134-V138 HydrophobicContact CZ2-CG2 3.64Å; W134-V138 HydrophobicContact CZ3-CG2 4.42Å; W134-V138 VanDerWaalsContact O-CG2 3.26Å; W134-V138 WeakPolarHBondContact O-CG2 3.35Å; W134-V138 PolarHBondContact O-N 3.38Å; K135-V138 WeakPolarHBondContact O-CB 3.18Å; K135-V138 PolarHBondContact O-N 2.82Å; L136-V138 VanDerWaalsContact C-N 3.33Å; L136-V138 PolarHBondContact O-N 3.04Å; V138-Q142 VanDerWaalsContact CG1-NE2 3.34Å; V138-Q142 WeakPolarHBondContact O-CB 3.29Å; V138-Q142 WeakPolarHBondContact O-CG 3.13Å; V138-Q142 PolarHBondContact O-N 2.95Å; V138-Q142 VanDerWaalsContact O-N 3.11Å
139E94.6Very high94.8Very high85 Ų8575.1 Ų75.140%0.39737%0.367SS..Hα-helixtrans-63.3-47.1-179.6-73.5176.1-17800112.2K135 L136 Q142 Q143K135-E139 WeakPolarHBondContact CE-OE1 3.48Å; K135-E139 WeakPolarHBondContact O-CG 3.4Å; K135-E139 PolarHBondContact O-N 2.79Å; L136-E139 PolarHBondContact O-N 2.56Å; E139-Q142 PolarHBondContact O-N 3.32Å; E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.28Å; E139-Q143 PolarHBondContact O-N 2.93Å
140E95.6Very high94.6Very high130 Ų13074 Ų7461%0.60736%0.36SS*.Hα-helixtrans-60.5-49.7178.8-178.7-176.6-135.400111.4L136 Q142 Q143 V144L136-E140 VanDerWaalsContact O-CB 3.3Å; L136-E140 WeakPolarHBondContact O-CB 3.4Å; L136-E140 PolarHBondContact O-N 3.08Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.25Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 2.93Å; E140-V144 PolarHBondContact O-N 3.36Å
141L95.2Very high94.4Very high48 Ų4875.6 Ų75.625%0.25137%0.368SS..Hα-helixtrans-58.9-45.1179.1179.167.6000111.1V17 K18 E137 Q143 V144 L145V17-L141 HydrophobicContact CG1-CD2 4.47Å; K18-L141 HydrophobicContact CB-CD2 3.64Å; K18-L141 HydrophobicContact CD-CB 4.46Å; K18-L141 HydrophobicContact CD-CD2 4.02Å; K18-L141 HydrophobicContact CG-CD2 3.62Å; E137-L141 WeakPolarHBondContact O-CB 3.45Å; E137-L141 PolarHBondContact O-N 3.27Å; E137-L141 VanDerWaalsContact O-N 3.16Å; L141-Q143 VanDerWaalsContact C-N 3.28Å; L141-Q143 PolarHBondContact O-N 3.37Å; L141-V144 PolarHBondContact O-N 3.38Å; L141-V144 VanDerWaalsContact O-N 3.12Å; L141-L145 HydrophobicContact CD1-CD1 3.95Å; L141-L145 HydrophobicContact CD1-CG 4.13Å; L141-L145 HydrophobicContact CD2-CD1 4.14Å; L141-L145 HydrophobicContact CG-CD1 3.74Å; L141-L145 HydrophobicContact CG-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CG 3.26Å; L141-L145 PolarHBondContact O-N 3.11Å
142Q93.5Very high94.3Very high5 Ų571.9 Ų71.92%0.02336%0.36CS..Hα-helixtrans-69.9-26.4-177.7-67.6179.413.600112.5K18 A43 L49 V138 E139 E140 V144 T146K18-Q142 PolarHBondContact O-NE2 2.93Å; A43-Q142 HydrophobicContact CB-CB 4.13Å; L49-Q142 HydrophobicContact CD1-CB 4.01Å; L49-Q142 HydrophobicContact CD1-CG 3.69Å; V138-Q142 VanDerWaalsContact CG1-NE2 3.34Å; V138-Q142 WeakPolarHBondContact O-CB 3.29Å; V138-Q142 WeakPolarHBondContact O-CG 3.13Å; V138-Q142 PolarHBondContact O-N 2.95Å; V138-Q142 VanDerWaalsContact O-N 3.11Å; E139-Q142 PolarHBondContact O-N 3.32Å; E140-Q142 VanDerWaalsContact C-N 3.3Å; E140-Q142 PolarHBondContact O-N 3.25Å; Q142-V144 VanDerWaalsContact C-N 3.33Å; Q142-T146 WeakPolarHBondContact O-CB 3.2Å; Q142-T146 WeakPolarHBondContact O-CG2 3.18Å; Q142-T146 PolarHBondContact O-N 3.01Å; Q142-T146 PolarHBondContact O-OG1 3.18Å
143Q92.3Very high94.2Very high106 Ų10666.8 Ų66.850%0.49534%0.338SS..Hα-helixtrans-66.3-34.4169.9-73.9174.728.400112.5E139 E140 L141E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.28Å; E139-Q143 PolarHBondContact O-N 2.93Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 2.93Å; L141-Q143 VanDerWaalsContact C-N 3.28Å; L141-Q143 PolarHBondContact O-N 3.37Å
144V91.8Very high93.9Very high117 Ų11765.9 Ų65.971%0.70933%0.334SS*.Hα-helixtrans-78.1-33.2178176.50000112.1E140 L141 Q142E140-V144 PolarHBondContact O-N 3.36Å; L141-V144 PolarHBondContact O-N 3.38Å; L141-V144 VanDerWaalsContact O-N 3.12Å; Q142-V144 VanDerWaalsContact C-N 3.33Å
145L89.3Confident93.5Very high80 Ų8071.1 Ų71.142%0.41936%0.361SS..Hα-helixtrans-84.5-6.8-177.6-65.8179.6000114.3V17 L49 L141V17-L145 HydrophobicContact CG1-CD1 4.2Å; V17-L145 HydrophobicContact CG2-CD1 4.37Å; L49-L145 HydrophobicContact CD1-CB 4.35Å; L49-L145 HydrophobicContact CD2-CB 3.98Å; L49-L145 WeakPolarHBondContact CD2-O 3.47Å; L141-L145 HydrophobicContact CD1-CD1 3.95Å; L141-L145 HydrophobicContact CD1-CG 4.13Å; L141-L145 HydrophobicContact CD2-CD1 4.14Å; L141-L145 HydrophobicContact CG-CD1 3.74Å; L141-L145 HydrophobicContact CG-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CG 3.26Å; L141-L145 PolarHBondContact O-N 3.11Å
146T83.8Confident93.4Very high58 Ų5869.5 Ų69.536%0.35636%0.359SS..  trans-123.80-177.262.30000112.9A43 R47 L49 Q142A43-T146 HydrophobicContact CB-CG2 3.74Å; R47-T146 HydrophobicContact CB-CG2 4.01Å; R47-T146 VanDerWaalsContact CD-CB 3.41Å; R47-T146 WeakPolarHBondContact CD-O 3.07Å; R47-T146 VanDerWaalsContact CD-OG1 3.3Å; R47-T146 WeakPolarHBondContact CD-OG1 3.31Å; R47-T146 PolarHBondContact NH1-O 2.91Å; R47-T146 VanDerWaalsContact NH1-O 3.08Å; R47-T146 PolarHBondContact NH1-OG1 3.13Å; R47-T146 PolarHBondContact NH1-OXT 3.36Å; L49-T146 HydrophobicContact CD1-CG2 3.79Å; L49-T146 HydrophobicContact CD2-CG2 3.35Å; L49-T146 HydrophobicContact CG-CG2 3.38Å; Q142-T146 WeakPolarHBondContact O-CB 3.2Å; Q142-T146 WeakPolarHBondContact O-CG2 3.18Å; Q142-T146 PolarHBondContact O-N 3.01Å; Q142-T146 PolarHBondContact O-OG1 3.18Å

Retrieved 146 of 146 residues in 137.3 ms (Link to these results)

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