A0A060WNC2_ONCMY Loading...

TSEN15 tRNA splicing endonuclease subunit

AlphaFold DB , UniProt , Accession A0A060WNC2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tsen15, Length 155 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
1M38.3Very low40.6Very low236 Ų236166 Ų166100%1.16386%0.856SS**  074.10-59.2-157.8-151.300106.5
2S36.9Very low41.6Very low120 Ų120161.8 Ų161.884%0.83984%0.843SS**  50.7109.1103.332.10000114.1
3E40.8Very low42.7Very low181 Ų181160.5 Ų160.585%0.84684%0.836SS**  trans-54.4147.1171-66.3155.3107.500112.8
4L38.7Very low43.6Very low156 Ų156161.7 Ų161.782%0.81784%0.835SS**  trans-157.774.7149.1-150.871.4000110.7K6L4-K6 PolarHBondContact O-N 2.95Å
5T41.8Very low44.1Very low133 Ų133163.4 Ų163.482%0.81683%0.834SS**  trans-74.9103160.238.30000107.9K7T5-K7 PolarHBondContact O-N 2.71Å; T5-K7 VanDerWaalsContact O-N 3.14Å
6K40.4Very low45.2Very low181 Ų181160.2 Ų160.279%0.78783%0.827SS**  trans-60.2112.5170.6-75.1177.9174.7-1800108.8L4L4-K6 PolarHBondContact O-N 2.95Å
7K36.3Very low46.1Very low209 Ų209160.1 Ų160.191%0.90983%0.827SS**  trans-83.5107.1168.6-154.1175.5-173.9-178.70106.1T5T5-K7 PolarHBondContact O-N 2.71Å; T5-K7 VanDerWaalsContact O-N 3.14Å
8T40.4Very low46.9Very low125 Ų125157.1 Ų157.177%0.76782%0.819SS**  trans-73.8136.4-177.8-42.90000110.2
9D41.5Very low48Very low153 Ų153153.4 Ų153.482%0.81881%0.806SS**  trans-11.1132177-75.2-72.3000119.6
10E46.5Very low49.9Very low175 Ų175151.5 Ų151.582%0.81880%0.797SS**  trans-56.3129.1166.7-62-179.1127.500110.9V12E10-V12 PolarHBondContact O-N 3.09Å
11D44.9Very low51.8Low157 Ų157151.3 Ų151.384%0.8479%0.785SS**  trans-58.188.4155.6-98.6-56.3000108.5I13D11-I13 PolarHBondContact O-N 2.73Å
12V52.5Low54.3Low115 Ų115141.7 Ų141.770%0.69774%0.738SS**  trans-7189161.6-179.60000106E10 E14E10-V12 PolarHBondContact O-N 3.09Å; V12-E14 VanDerWaalsContact C-N 3.28Å; V12-E14 PolarHBondContact O-N 2.72Å
13I56.4Low56.8Low146 Ų146140.2 Ų140.275%0.74972%0.721SS**  trans-58.697.9164.1-60169.2000105.8D11 K15D11-I13 PolarHBondContact O-N 2.73Å; I13-K15 PolarHBondContact O-N 2.77Å
14E54.3Low59.3Low177 Ų177137.3 Ų137.383%0.82771%0.707SS**  trans-58.695.2165.7-81.3-167.3162.300106.9V12 P16V12-E14 VanDerWaalsContact C-N 3.28Å; V12-E14 PolarHBondContact O-N 2.72Å; E14-P16 VanDerWaalsContact O-CD 3.26Å; E14-P16 WeakPolarHBondContact O-CD 3.27Å; E14-P16 VanDerWaalsContact O-N 3.11Å
15K52.5Low61.9Low187 Ų187132.2 Ų132.281%0.81368%0.679SS**  trans-62.1115.5173.5-168.9173.1-176.4175.40105.7I13 L17I13-K15 PolarHBondContact O-N 2.77Å; K15-L17 PolarHBondContact O-N 3.12Å
16P60.9Low64.4Low112 Ų112130.4 Ų130.473%0.72767%0.669SS**PPolyproline II helixtrans-56130.7-179.820.9-30.4000107.7E14E14-P16 VanDerWaalsContact O-CD 3.26Å; E14-P16 WeakPolarHBondContact O-CD 3.27Å; E14-P16 VanDerWaalsContact O-N 3.11Å
17L60.9Low67.1Low159 Ų159123.4 Ų123.483%0.83264%0.64SS**PPolyproline II helixtrans-49.5133.4177.1-71.2167000108K15K15-L17 PolarHBondContact O-N 3.12Å
18P59.4Low69.9Low105 Ų105114.5 Ų114.568%0.68260%0.601SS**PPolyproline II helixtrans-53.3136.517919.8-29.8000108.6N20P18-N20 PolarHBondContact O-N 2.89Å
19P68.8Low72.5Confident87 Ų87113.1 Ų113.157%0.56559%0.586SS**PPolyproline II helixtrans-52.8137.6-178.4-3.10.1000109.9W21P19-W21 VanDerWaalsContact C-N 3.31Å; P19-W21 PolarHBondContact O-N 3.24Å
20N84.8Confident75.1Confident116 Ų116109.4 Ų109.462%0.6256%0.563SS**  trans-60.694.8176-73.5-25.6000109P18 I22 L23P18-N20 PolarHBondContact O-N 2.89Å; N20-I22 PolarHBondContact O-N 3.14Å; N20-I22 VanDerWaalsContact O-N 3.12Å; N20-L23 HydrophobicContact CB-CB 4.46Å; N20-L23 HydrophobicContact CB-CD1 3.83Å; N20-L23 HydrophobicContact CB-CG 3.86Å; N20-L23 WeakPolarHBondContact O-CB 3.48Å; N20-L23 PolarHBondContact O-N 2.95Å
21W90.4Very high77.4Confident147 Ų147101.1 Ų101.156%0.55752%0.524SS*.Hα-helixtrans-57-31.5-172.965.9-94.1000112.5P19 L23 Q24 H25 F46 L50P19-W21 VanDerWaalsContact C-N 3.31Å; P19-W21 PolarHBondContact O-N 3.24Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 3.25Å; W21-Q24 CarbonylContact O-C 3.57Å; W21-Q24 PolarHBondContact O-N 3.23Å; W21-Q24 VanDerWaalsContact O-N 3.1Å; W21-H25 PolarHBondContact O-N 3.45Å; W21-F46 HydrophobicContact CH2-CE1 4.01Å; W21-F46 HydrophobicContact CH2-CZ 4.4Å; W21-F46 AromaticContact CZ3-CE1 3.88Å; W21-F46 HydrophobicContact CZ3-CE1 3.88Å; W21-F46 AromaticContact CZ3-CZ 3.9Å; W21-F46 HydrophobicContact CZ3-CZ 3.9Å; W21-L50 HydrophobicContact CH2-CD1 3.98Å
22I90.6Very high79.7Confident34 Ų3497 Ų9717%0.17450%0.501CS..Hα-helixtrans-56.6-45.1175.3-63.7-177.8000110.5N20 Q24 H25 Y28 F46N20-I22 PolarHBondContact O-N 3.14Å; N20-I22 VanDerWaalsContact O-N 3.12Å; I22-Q24 PolarHBondContact O-N 3.34Å; I22-H25 WeakPolarHBondContact O-CB 3.31Å; I22-H25 PolarHBondContact O-N 3.43Å; I22-H25 VanDerWaalsContact O-N 3.09Å; I22-Y28 HydrophobicContact CG2-CD1 4.24Å; I22-Y28 HydrophobicContact CG2-CD2 3.56Å; I22-Y28 HydrophobicContact CG2-CE1 4.33Å; I22-Y28 HydrophobicContact CG2-CE2 3.65Å; I22-Y28 HydrophobicContact CG2-CG 3.85Å; I22-Y28 WeakPolarHBondContact O-CB 3.44Å; I22-Y28 WeakPolarHBondContact O-CD1 3.26Å; I22-Y28 VanDerWaalsContact O-CG 3.3Å; I22-F46 HydrophobicContact CB-CE1 4.28Å; I22-F46 HydrophobicContact CG1-CE1 4.06Å; I22-F46 HydrophobicContact CG2-CD1 3.76Å; I22-F46 HydrophobicContact CG2-CE1 3.75Å
23L90.1Very high81.7Confident90 Ų9097.7 Ų97.747%0.47150%0.501SS..Hα-helixtrans-68.2-20.7-178.2-56.2-176.7000112.8N20 W21 Y28 Q29N20-L23 HydrophobicContact CB-CB 4.46Å; N20-L23 HydrophobicContact CB-CD1 3.83Å; N20-L23 HydrophobicContact CB-CG 3.86Å; N20-L23 WeakPolarHBondContact O-CB 3.48Å; N20-L23 PolarHBondContact O-N 2.95Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 3.25Å; L23-Y28 HydrophobicContact CD2-CD1 4.26Å; L23-Y28 HydrophobicContact CD2-CE1 3.45Å; L23-Y28 VanDerWaalsContact CD2-CE1 3.45Å; L23-Q29 WeakPolarHBondContact O-CG 3.49Å; L23-Q29 PolarHBondContact O-NE2 2.99Å
24Q92.3Very high83.4Confident120 Ų12093 Ų9356%0.56148%0.477SS*.Hα-helixtrans-95.3-9.8177.7-60.4-178.3-5.600112.3W21 I22W21-Q24 CarbonylContact O-C 3.57Å; W21-Q24 PolarHBondContact O-N 3.23Å; W21-Q24 VanDerWaalsContact O-N 3.1Å; I22-Q24 PolarHBondContact O-N 3.34Å
25H94.3Very high84.5Confident48 Ų4891.8 Ų91.822%0.22248%0.476CS..  trans-67.5126-178-170.4-79.1000109.8W21 I22 M27 Y28 Q29 F46 Y49W21-H25 PolarHBondContact O-N 3.45Å; I22-H25 WeakPolarHBondContact O-CB 3.31Å; I22-H25 PolarHBondContact O-N 3.43Å; I22-H25 VanDerWaalsContact O-N 3.09Å; H25-M27 VanDerWaalsContact CE1-CB 3.46Å; H25-M27 WeakPolarHBondContact CE1-CB 3.44Å; H25-M27 WeakPolarHBondContact ND1-CB 3.35Å; H25-M27 PolarHBondContact ND1-N 2.95Å; H25-M27 PolarHBondContact O-N 3.48Å; H25-M27 VanDerWaalsContact O-N 3.16Å; H25-Y28 WeakPolarHBondContact O-CB 3.49Å; H25-Y28 PolarHBondContact O-N 3.37Å; H25-Q29 PolarHBondContact O-N 3.07Å; H25-F46 HydrophobicContact CB-CE2 4.12Å; H25-F46 HydrophobicContact CB-CZ 3.82Å; H25-F46 AromaticContact CD2-CZ 3.86Å; H25-F46 AromaticContact CE1-CE2 3.74Å; H25-F46 AromaticContact CG-CE2 3.6Å; H25-F46 AromaticContact CG-CZ 3.53Å; H25-F46 AromaticContact ND1-CE2 3.33Å; H25-F46 VanDerWaalsContact ND1-CE2 3.33Å; H25-F46 WeakPolarHBondContact ND1-CE2 3.36Å; H25-F46 AromaticContact ND1-CZ 3.78Å; H25-Y49 AromaticContact CE1-CE1 3.92Å
26P95.1Very high85.8Confident95 Ų9583.9 Ų83.962%0.61744%0.444SS*.Hα-helixtrans-55.8-39.7-175.1-27.334.1000112.9Q29 H30P26-Q29 PolarHBondContact O-N 3.26Å; P26-H30 WeakPolarHBondContact O-CB 3.48Å; P26-H30 PolarHBondContact O-N 3.47Å
27M96Very high86.3Confident35 Ų3582.4 Ų82.417%0.17245%0.448CS..Hα-helixtrans-67.3-39.5176.1-169.849.438.100112.9H25 Q29 H30 L31 F46 Y49H25-M27 VanDerWaalsContact CE1-CB 3.46Å; H25-M27 WeakPolarHBondContact CE1-CB 3.44Å; H25-M27 WeakPolarHBondContact ND1-CB 3.35Å; H25-M27 PolarHBondContact ND1-N 2.95Å; H25-M27 PolarHBondContact O-N 3.48Å; H25-M27 VanDerWaalsContact O-N 3.16Å; M27-Q29 VanDerWaalsContact C-N 3.3Å; M27-Q29 PolarHBondContact O-N 2.9Å; M27-H30 HydrophobicContact CE-CB 4.2Å; M27-H30 WeakPolarHBondContact O-CB 3.42Å; M27-H30 PolarHBondContact O-N 3.06Å; M27-H30 HydrophobicContact SD-CB 4.17Å; M27-L31 HydrophobicContact CG-CG 4.41Å; M27-L31 VanDerWaalsContact O-CG 3.28Å; M27-L31 WeakPolarHBondContact O-CG 3.33Å; M27-L31 PolarHBondContact O-N 2.76Å; M27-L31 HydrophobicContact SD-CD2 4.06Å; M27-L31 HydrophobicContact SD-CG 4.31Å; M27-F46 HydrophobicContact CB-CE2 4.45Å; M27-Y49 HydrophobicContact CB-CD1 4.33Å; M27-Y49 HydrophobicContact CB-CE1 4.01Å; M27-Y49 HydrophobicContact CB-CE2 4.43Å; M27-Y49 HydrophobicContact CG-CD1 3.94Å; M27-Y49 HydrophobicContact CG-CD2 3.74Å; M27-Y49 HydrophobicContact CG-CE1 3.95Å; M27-Y49 HydrophobicContact CG-CE2 3.72Å; M27-Y49 HydrophobicContact CG-CG 3.86Å; M27-Y49 HydrophobicContact SD-CE2 4.43Å
28Y95.4Very high87.6Confident22 Ų2276.6 Ų76.69%0.08642%0.418CS..Hα-helixtrans-63.5-40.5177.1-174.7-96.3000111.4I22 L23 H25 L31 M32 V42 F46I22-Y28 HydrophobicContact CG2-CD1 4.24Å; I22-Y28 HydrophobicContact CG2-CD2 3.56Å; I22-Y28 HydrophobicContact CG2-CE1 4.33Å; I22-Y28 HydrophobicContact CG2-CE2 3.65Å; I22-Y28 HydrophobicContact CG2-CG 3.85Å; I22-Y28 WeakPolarHBondContact O-CB 3.44Å; I22-Y28 WeakPolarHBondContact O-CD1 3.26Å; I22-Y28 VanDerWaalsContact O-CG 3.3Å; L23-Y28 HydrophobicContact CD2-CD1 4.26Å; L23-Y28 HydrophobicContact CD2-CE1 3.45Å; L23-Y28 VanDerWaalsContact CD2-CE1 3.45Å; H25-Y28 WeakPolarHBondContact O-CB 3.49Å; H25-Y28 PolarHBondContact O-N 3.37Å; Y28-L31 PolarHBondContact O-N 3.39Å; Y28-M32 HydrophobicContact CD1-CG 4.21Å; Y28-M32 HydrophobicContact CE1-CE 3.62Å; Y28-M32 HydrophobicContact CE1-CG 3.93Å; Y28-M32 HydrophobicContact CE2-CE 4.15Å; Y28-M32 WeakPolarHBondContact O-CG 3.43Å; Y28-M32 PolarHBondContact O-N 3.07Å; Y28-M32 WeakPolarHBondContact OH-CE 3.44Å; Y28-V42 HydrophobicContact CD2-CG1 4.43Å; Y28-V42 HydrophobicContact CE2-CG1 4.13Å; Y28-F46 HydrophobicContact CD2-CB 3.67Å; Y28-F46 AromaticContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD2 4.22Å; Y28-F46 AromaticContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CE2-CB 4.28Å; Y28-F46 HydrophobicContact CG-CG 4.42Å
29Q94.6Very high89.1Confident96 Ų9675.6 Ų75.645%0.44941%0.413SS..Hα-helixtrans-62.7-43.6173.8-65.5-178.9-25.800111.7L23 H25 P26 M27 L31 M32 N33L23-Q29 WeakPolarHBondContact O-CG 3.49Å; L23-Q29 PolarHBondContact O-NE2 2.99Å; H25-Q29 PolarHBondContact O-N 3.07Å; P26-Q29 PolarHBondContact O-N 3.26Å; M27-Q29 VanDerWaalsContact C-N 3.3Å; M27-Q29 PolarHBondContact O-N 2.9Å; Q29-L31 PolarHBondContact O-N 3.33Å; Q29-M32 PolarHBondContact O-N 3.48Å; Q29-N33 PolarHBondContact O-N 3.07Å; Q29-N33 PolarHBondContact O-ND2 3.44Å
30H95.7Very high90.2Very high75 Ų7573 Ų7335%0.34740%0.4SS..Hα-helixtrans-57.1-49173.3176.770000111.6P26 M27 M32 N33 L34 G63P26-H30 WeakPolarHBondContact O-CB 3.48Å; P26-H30 PolarHBondContact O-N 3.47Å; M27-H30 HydrophobicContact CE-CB 4.2Å; M27-H30 WeakPolarHBondContact O-CB 3.42Å; M27-H30 PolarHBondContact O-N 3.06Å; M27-H30 HydrophobicContact SD-CB 4.17Å; H30-M32 VanDerWaalsContact C-N 3.33Å; H30-M32 PolarHBondContact O-N 2.98Å; H30-N33 PolarHBondContact O-N 3.06Å; H30-N33 VanDerWaalsContact O-N 3.08Å; H30-L34 PolarHBondContact O-N 2.85Å; H30-G63 PolarHBondContact NE2-O 3.39Å; H30-G63 VanDerWaalsContact NE2-O 3.09Å
31L95.8Very high90.7Very high0 Ų067.5 Ų67.50%037%0.37CS..Hα-helixtrans-62-38.9179.1-62.2-170.9000112.6M27 Y28 Q29 N33 L34 V42 A45 F46 V72 L74M27-L31 HydrophobicContact CG-CG 4.41Å; M27-L31 VanDerWaalsContact O-CG 3.28Å; M27-L31 WeakPolarHBondContact O-CG 3.33Å; M27-L31 PolarHBondContact O-N 2.76Å; M27-L31 HydrophobicContact SD-CD2 4.06Å; M27-L31 HydrophobicContact SD-CG 4.31Å; Y28-L31 PolarHBondContact O-N 3.39Å; Q29-L31 PolarHBondContact O-N 3.33Å; L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 2.77Å; L31-L34 HydrophobicContact CD2-CD1 4.04Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 2.79Å; L31-V42 HydrophobicContact CB-CG1 3.73Å; L31-A45 HydrophobicContact CD1-CB 3.89Å; L31-F46 HydrophobicContact CD1-CB 4.16Å; L31-V72 HydrophobicContact CD2-CG1 3.77Å; L31-L74 HydrophobicContact CD2-CD2 4.29Å
32M93.5Very high90.9Very high70 Ų7060.7 Ų60.735%0.34535%0.345SS..Hα-helixtrans-62.9-34.7174.5-78.4-65.3179.700112.5Y28 Q29 H30 L34 V42Y28-M32 HydrophobicContact CD1-CG 4.21Å; Y28-M32 HydrophobicContact CE1-CE 3.62Å; Y28-M32 HydrophobicContact CE1-CG 3.93Å; Y28-M32 HydrophobicContact CE2-CE 4.15Å; Y28-M32 WeakPolarHBondContact O-CG 3.43Å; Y28-M32 PolarHBondContact O-N 3.07Å; Y28-M32 WeakPolarHBondContact OH-CE 3.44Å; Q29-M32 PolarHBondContact O-N 3.48Å; H30-M32 VanDerWaalsContact C-N 3.33Å; H30-M32 PolarHBondContact O-N 2.98Å; M32-L34 PolarHBondContact O-N 3.28Å; M32-V42 HydrophobicContact CE-CB 3.87Å; M32-V42 HydrophobicContact CE-CG1 3.62Å; M32-V42 HydrophobicContact CG-CG1 3.82Å; M32-V42 HydrophobicContact SD-CB 4.01Å; M32-V42 HydrophobicContact SD-CG1 3.69Å; M32-V42 HydrophobicContact SD-CG2 4.08Å
33N94.3Very high91.2Very high131 Ų13162.4 Ų62.470%0.70135%0.352SS*.THydrogen-bonded Turntrans-77-6-179.2-66.4-22.5000113.9Q29 H30 L31 D35Q29-N33 PolarHBondContact O-N 3.07Å; Q29-N33 PolarHBondContact O-ND2 3.44Å; H30-N33 PolarHBondContact O-N 3.06Å; H30-N33 VanDerWaalsContact O-N 3.08Å; L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 2.77Å; N33-D35 PolarHBondContact O-N 3.16Å
34L92Very high91.5Very high48 Ų4858.2 Ų58.225%0.25133%0.331SS..THydrogen-bonded Turntrans-74.40.6174.1-63.3172000113.2H30 L31 M32 V36 V72H30-L34 PolarHBondContact O-N 2.85Å; L31-L34 HydrophobicContact CD2-CD1 4.04Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 2.79Å; M32-L34 PolarHBondContact O-N 3.28Å; L34-V36 HydrophobicContact CB-CG2 3.87Å; L34-V36 WeakPolarHBondContact O-CG2 3.41Å; L34-V36 PolarHBondContact O-N 2.8Å; L34-V72 HydrophobicContact CB-CG2 4.42Å; L34-V72 HydrophobicContact CD1-CG1 4.02Å; L34-V72 HydrophobicContact CD1-CG2 4.1Å
35D78.3Confident91.7Very high150 Ų15052.5 Ų52.580%0.80230%0.304SS*.  trans53.345172-161.931.1000114.9N33N33-D35 PolarHBondContact O-N 3.16Å
36V78.6Confident91.9Very high22 Ų2250.2 Ų50.213%0.13329%0.293CS..  trans-91.3-9.9-175.1-164.60000113.1L34 D38 R70 V72L34-V36 HydrophobicContact CB-CG2 3.87Å; L34-V36 WeakPolarHBondContact O-CG2 3.41Å; L34-V36 PolarHBondContact O-N 2.8Å; V36-D38 VanDerWaalsContact C-N 3.28Å; V36-D38 PolarHBondContact O-N 2.87Å; V36-R70 WeakPolarHBondContact CG1-O 3.39Å; V36-V72 HydrophobicContact CB-CG2 4.14Å; V36-V72 HydrophobicContact CG2-CG2 3.51Å
37G71.6Confident92Very high80 Ų8047.1 Ų47.183%0.82527%0.271SS*.SBendtrans72.64.6169.400000116.8
38D87.8Confident92.1Very high38 Ų3845.5 Ų45.520%0.20326%0.263CS..  trans-123.4101.5175.8-176.9-10.3000111V36 A40 Q41 V42 R94V36-D38 VanDerWaalsContact C-N 3.28Å; V36-D38 PolarHBondContact O-N 2.87Å; D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.39Å; D38-A40 WeakPolarHBondContact OD1-CB 3.38Å; D38-A40 PolarHBondContact OD1-N 3.41Å; D38-Q41 HydrophobicContact CB-CB 4.01Å; D38-Q41 PolarHBondContact O-N 3.22Å; D38-Q41 PolarHBondContact OD1-N 2.77Å; D38-V42 WeakPolarHBondContact O-CG2 3.49Å; D38-V42 PolarHBondContact O-N 3.44Å; D38-R94 VanDerWaalsContact CB-NH1 3.29Å; D38-R94 WeakPolarHBondContact OD2-CD 3.41Å; D38-R94 IonicContact OD2-CZ 3.86Å; D38-R94 IonicContact OD2-NE 2.64Å; D38-R94 IonicContact OD2-NH1 3.61Å; D38-R94 PolarHBondContact OD2-NH1 3.09Å
39S90.8Very high92.3Very high83 Ų8346.2 Ų46.258%0.5827%0.266SS*.Hα-helixtrans-65.6-32.7-179.958.30000113.3Q41 V42 H43S39-Q41 VanDerWaalsContact C-N 3.3Å; S39-V42 PolarHBondContact O-N 2.87Å; S39-H43 WeakPolarHBondContact O-CB 3.21Å; S39-H43 PolarHBondContact O-N 3.23Å
40A92.6Very high92.4Very high33 Ų3343.5 Ų43.527%0.27325%0.254SS..Hα-helixtrans-68.1-36.8176.900000110.3D38 A44 H93D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.39Å; D38-A40 WeakPolarHBondContact OD1-CB 3.38Å; D38-A40 PolarHBondContact OD1-N 3.41Å; A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.33Å; A40-H93 WeakPolarHBondContact CB-NE2 3.41Å
41Q94.8Very high92.5Very high0 Ų041.3 Ų41.30%025%0.245CC..Hα-helixtrans-73.8-36.4174.3-165.4-94.7-18.800113.5D38 S39 H43 A44 A45 L71 V72 P89 P91D38-Q41 HydrophobicContact CB-CB 4.01Å; D38-Q41 PolarHBondContact O-N 3.22Å; D38-Q41 PolarHBondContact OD1-N 2.77Å; S39-Q41 VanDerWaalsContact C-N 3.3Å; Q41-H43 VanDerWaalsContact C-N 3.3Å; Q41-H43 PolarHBondContact O-N 3.41Å; Q41-A44 PolarHBondContact O-N 3.43Å; Q41-A45 WeakPolarHBondContact O-CB 3.35Å; Q41-A45 PolarHBondContact O-N 2.89Å; Q41-L71 HydrophobicContact CB-CD2 3.95Å; Q41-L71 VanDerWaalsContact CD-CD2 3.42Å; Q41-L71 HydrophobicContact CG-CD2 3.35Å; Q41-V72 PolarHBondContact NE2-O 2.82Å; Q41-P89 PolarHBondContact NE2-O 3.1Å; Q41-P89 VanDerWaalsContact NE2-O 3.08Å; Q41-P91 HydrophobicContact CB-CG 4.27Å; Q41-P91 HydrophobicContact CG-CG 4.41Å
42V95.7Very high92.6Very high5 Ų541.3 Ų41.33%0.0325%0.245CC..Hα-helixtrans-61.5-42.2172.2173.60000110.8Y28 L31 M32 D38 S39 A45 F46 V72Y28-V42 HydrophobicContact CD2-CG1 4.43Å; Y28-V42 HydrophobicContact CE2-CG1 4.13Å; L31-V42 HydrophobicContact CB-CG1 3.73Å; M32-V42 HydrophobicContact CE-CB 3.87Å; M32-V42 HydrophobicContact CE-CG1 3.62Å; M32-V42 HydrophobicContact CG-CG1 3.82Å; M32-V42 HydrophobicContact SD-CB 4.01Å; M32-V42 HydrophobicContact SD-CG1 3.69Å; M32-V42 HydrophobicContact SD-CG2 4.08Å; D38-V42 WeakPolarHBondContact O-CG2 3.49Å; D38-V42 PolarHBondContact O-N 3.44Å; S39-V42 PolarHBondContact O-N 2.87Å; V42-A45 PolarHBondContact O-N 3.11Å; V42-F46 PolarHBondContact O-N 2.81Å; V42-V72 HydrophobicContact CG2-CG2 4.13Å
43H95.4Very high92.8Very high69 Ų6938.8 Ų38.832%0.31924%0.235SC..Hα-helixtrans-61.1-46173.7-175.9-92.9000111.9S39 Q41 A45 F46 L47S39-H43 WeakPolarHBondContact O-CB 3.21Å; S39-H43 PolarHBondContact O-N 3.23Å; Q41-H43 VanDerWaalsContact C-N 3.3Å; Q41-H43 PolarHBondContact O-N 3.41Å; H43-A45 VanDerWaalsContact C-N 3.35Å; H43-A45 PolarHBondContact O-N 2.84Å; H43-F46 PolarHBondContact O-N 2.87Å; H43-L47 WeakPolarHBondContact O-CG 3.37Å; H43-L47 PolarHBondContact O-N 3.43Å
44A97Very high92.9Very high3 Ų338.2 Ų38.23%0.02523%0.229CC..Hα-helixtrans-59-44.8174.900000112A40 Q41 F46 L47 V48 P91 V116A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.33Å; Q41-A44 PolarHBondContact O-N 3.43Å; A44-F46 VanDerWaalsContact C-N 3.29Å; A44-F46 PolarHBondContact O-N 2.79Å; A44-L47 PolarHBondContact O-N 2.89Å; A44-V48 WeakPolarHBondContact O-CG2 3.38Å; A44-V48 PolarHBondContact O-N 2.76Å; A44-V48 VanDerWaalsContact O-N 3.07Å; A44-P91 HydrophobicContact CB-CB 4.05Å; A44-P91 HydrophobicContact CB-CG 4.26Å; A44-V116 HydrophobicContact CB-CB 3.96Å; A44-V116 HydrophobicContact CB-CG1 4.14Å; A44-V116 HydrophobicContact CB-CG2 3.87Å
45A97.6Very high93.1Very high0 Ų041.1 Ų41.10%025%0.248CC..Hα-helixtrans-61.3-37.5176.200000112.3L31 Q41 V42 H43 V48 Y49 V72 P89L31-A45 HydrophobicContact CD1-CB 3.89Å; Q41-A45 WeakPolarHBondContact O-CB 3.35Å; Q41-A45 PolarHBondContact O-N 2.89Å; V42-A45 PolarHBondContact O-N 3.11Å; H43-A45 VanDerWaalsContact C-N 3.35Å; H43-A45 PolarHBondContact O-N 2.84Å; A45-V48 PolarHBondContact O-N 2.76Å; A45-Y49 WeakPolarHBondContact O-CB 3.24Å; A45-Y49 PolarHBondContact O-N 3.2Å; A45-V72 HydrophobicContact CB-CB 4.16Å; A45-V72 HydrophobicContact CB-CG1 3.88Å; A45-P89 HydrophobicContact CB-CB 3.94Å; A45-P89 HydrophobicContact CB-CG 3.74Å
46F97.5Very high93.9Very high0 Ų040 Ų400%023%0.232CC..Hα-helixtrans-67.1-41175.9-177.4-115.1000113.2W21 I22 H25 M27 Y28 L31 V42 H43 A44 V48 Y49 L50W21-F46 HydrophobicContact CH2-CE1 4.01Å; W21-F46 HydrophobicContact CH2-CZ 4.4Å; W21-F46 AromaticContact CZ3-CE1 3.88Å; W21-F46 HydrophobicContact CZ3-CE1 3.88Å; W21-F46 AromaticContact CZ3-CZ 3.9Å; W21-F46 HydrophobicContact CZ3-CZ 3.9Å; I22-F46 HydrophobicContact CB-CE1 4.28Å; I22-F46 HydrophobicContact CG1-CE1 4.06Å; I22-F46 HydrophobicContact CG2-CD1 3.76Å; I22-F46 HydrophobicContact CG2-CE1 3.75Å; H25-F46 HydrophobicContact CB-CE2 4.12Å; H25-F46 HydrophobicContact CB-CZ 3.82Å; H25-F46 AromaticContact CD2-CZ 3.86Å; H25-F46 AromaticContact CE1-CE2 3.74Å; H25-F46 AromaticContact CG-CE2 3.6Å; H25-F46 AromaticContact CG-CZ 3.53Å; H25-F46 AromaticContact ND1-CE2 3.33Å; H25-F46 VanDerWaalsContact ND1-CE2 3.33Å; H25-F46 WeakPolarHBondContact ND1-CE2 3.36Å; H25-F46 AromaticContact ND1-CZ 3.78Å; M27-F46 HydrophobicContact CB-CE2 4.45Å; Y28-F46 HydrophobicContact CD2-CB 3.67Å; Y28-F46 AromaticContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD2 4.22Å; Y28-F46 AromaticContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CE2-CB 4.28Å; Y28-F46 HydrophobicContact CG-CG 4.42Å; L31-F46 HydrophobicContact CD1-CB 4.16Å; V42-F46 PolarHBondContact O-N 2.81Å; H43-F46 PolarHBondContact O-N 2.87Å; A44-F46 VanDerWaalsContact C-N 3.29Å; A44-F46 PolarHBondContact O-N 2.79Å; F46-V48 VanDerWaalsContact C-N 3.3Å; F46-V48 PolarHBondContact O-N 3.43Å; F46-Y49 HydrophobicContact CD2-CD1 4.2Å; F46-Y49 HydrophobicContact CE2-CD1 4.07Å; F46-Y49 WeakPolarHBondContact O-CB 3.25Å; F46-Y49 PolarHBondContact O-N 2.58Å; F46-L50 HydrophobicContact CD1-CD1 4.21Å; F46-L50 HydrophobicContact CE1-CD1 3.67Å; F46-L50 HydrophobicContact CE1-CG 4.2Å; F46-L50 HydrophobicContact CE2-CD2 4.26Å; F46-L50 HydrophobicContact CE2-CG 4.26Å; F46-L50 HydrophobicContact CZ-CD1 3.89Å; F46-L50 HydrophobicContact CZ-CD2 3.97Å; F46-L50 HydrophobicContact CZ-CG 3.99Å; F46-L50 WeakPolarHBondContact O-CG 3.35Å; F46-L50 PolarHBondContact O-N 2.86Å
47L97.6Very high94.8Very high30 Ų3043.8 Ų43.816%0.15725%0.249CC..Hα-helixtrans-61.1-41.6174.3-66.1-179.9000111.7H43 A44 L50 D51 V116H43-L47 WeakPolarHBondContact O-CG 3.37Å; H43-L47 PolarHBondContact O-N 3.43Å; A44-L47 PolarHBondContact O-N 2.89Å; L47-L50 PolarHBondContact O-N 2.81Å; L47-D51 PolarHBondContact O-N 3.25Å; L47-D51 VanDerWaalsContact O-N 3.12Å; L47-V116 HydrophobicContact CD1-CG1 3.92Å
48V98.3Very high96Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-65.7-41175.6179.70000111A44 A45 F46 L50 D51 L52 L74 V87 P89 C114 V116 L122 Y124A44-V48 WeakPolarHBondContact O-CG2 3.38Å; A44-V48 PolarHBondContact O-N 2.76Å; A44-V48 VanDerWaalsContact O-N 3.07Å; A45-V48 PolarHBondContact O-N 2.76Å; F46-V48 VanDerWaalsContact C-N 3.3Å; F46-V48 PolarHBondContact O-N 3.43Å; V48-L50 VanDerWaalsContact C-N 3.32Å; V48-L50 PolarHBondContact O-N 3.01Å; V48-D51 PolarHBondContact O-N 2.83Å; V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.07Å; V48-L52 WeakPolarHBondContact O-CB 3.09Å; V48-L52 VanDerWaalsContact O-CG 3.24Å; V48-L52 WeakPolarHBondContact O-CG 3.23Å; V48-L52 PolarHBondContact O-N 2.85Å; V48-L74 HydrophobicContact CB-CD1 3.87Å; V48-L74 HydrophobicContact CG1-CD1 3.67Å; V48-V87 HydrophobicContact CG1-CG1 3.96Å; V48-P89 HydrophobicContact CB-CB 4.32Å; V48-P89 HydrophobicContact CB-CG 4.24Å; V48-P89 HydrophobicContact CG1-CG 4.43Å; V48-P89 HydrophobicContact CG2-CB 3.9Å; V48-P89 HydrophobicContact CG2-CG 4.33Å; V48-C114 HydrophobicContact CG1-CB 4.08Å; V48-C114 HydrophobicContact CG2-CB 3.9Å; V48-C114 WeakPolarHBondContact CG2-SG 3.38Å; V48-V116 HydrophobicContact CG2-CG2 3.61Å; V48-L122 HydrophobicContact CG2-CD2 4.02Å; V48-Y124 HydrophobicContact CG1-CE1 4.24Å
49Y98.2Very high96.4Very high37 Ų3743.5 Ų43.515%0.14522%0.222CC..Hα-helixtrans-55.9-46.3174.2165.4-90.2000111.6H25 M27 A45 F46 D51 L52 A53 V61H25-Y49 AromaticContact CE1-CE1 3.92Å; M27-Y49 HydrophobicContact CB-CD1 4.33Å; M27-Y49 HydrophobicContact CB-CE1 4.01Å; M27-Y49 HydrophobicContact CB-CE2 4.43Å; M27-Y49 HydrophobicContact CG-CD1 3.94Å; M27-Y49 HydrophobicContact CG-CD2 3.74Å; M27-Y49 HydrophobicContact CG-CE1 3.95Å; M27-Y49 HydrophobicContact CG-CE2 3.72Å; M27-Y49 HydrophobicContact CG-CG 3.86Å; M27-Y49 HydrophobicContact SD-CE2 4.43Å; A45-Y49 WeakPolarHBondContact O-CB 3.24Å; A45-Y49 PolarHBondContact O-N 3.2Å; F46-Y49 HydrophobicContact CD2-CD1 4.2Å; F46-Y49 HydrophobicContact CE2-CD1 4.07Å; F46-Y49 WeakPolarHBondContact O-CB 3.25Å; F46-Y49 PolarHBondContact O-N 2.58Å; Y49-D51 PolarHBondContact O-N 2.95Å; Y49-L52 PolarHBondContact O-N 2.8Å; Y49-A53 HydrophobicContact CE1-CB 4.42Å; Y49-A53 HydrophobicContact CE2-CB 4.3Å; Y49-A53 VanDerWaalsContact O-CB 3.26Å; Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 2.82Å; Y49-V61 HydrophobicContact CD2-CB 4.07Å; Y49-V61 HydrophobicContact CD2-CG1 3.65Å; Y49-V61 HydrophobicContact CE2-CB 4.06Å; Y49-V61 HydrophobicContact CE2-CG1 4.16Å
50L97.9Very high96.6Very high39 Ų3946 Ų4620%0.20423%0.225CC..Hα-helixtrans-61.9-43.8178.5-68.8174.8000111.9W21 F46 L47 V48 E54W21-L50 HydrophobicContact CH2-CD1 3.98Å; F46-L50 HydrophobicContact CD1-CD1 4.21Å; F46-L50 HydrophobicContact CE1-CD1 3.67Å; F46-L50 HydrophobicContact CE1-CG 4.2Å; F46-L50 HydrophobicContact CE2-CD2 4.26Å; F46-L50 HydrophobicContact CE2-CG 4.26Å; F46-L50 HydrophobicContact CZ-CD1 3.89Å; F46-L50 HydrophobicContact CZ-CD2 3.97Å; F46-L50 HydrophobicContact CZ-CG 3.99Å; F46-L50 WeakPolarHBondContact O-CG 3.35Å; F46-L50 PolarHBondContact O-N 2.86Å; L47-L50 PolarHBondContact O-N 2.81Å; V48-L50 VanDerWaalsContact C-N 3.32Å; V48-L50 PolarHBondContact O-N 3.01Å; L50-E54 HydrophobicContact CD2-CG 4.48Å; L50-E54 WeakPolarHBondContact O-CA 3.22Å; L50-E54 WeakPolarHBondContact O-CB 3.49Å; L50-E54 PolarHBondContact O-N 2.64Å
51D98.2Very high96.8Very high29 Ų2945.3 Ų45.316%0.15522%0.217CC..Iπ-helixtrans-64.3-44.2176.9-177.670.4000111.9L47 V48 Y49 V55 R56 L122 Y124L47-D51 PolarHBondContact O-N 3.25Å; L47-D51 VanDerWaalsContact O-N 3.12Å; V48-D51 PolarHBondContact O-N 2.83Å; Y49-D51 PolarHBondContact O-N 2.95Å; D51-V55 WeakPolarHBondContact O-CA 3.49Å; D51-V55 WeakPolarHBondContact O-CB 3.18Å; D51-V55 PolarHBondContact O-N 2.79Å; D51-V55 VanDerWaalsContact O-N 3.14Å; D51-R56 PolarHBondContact O-N 3.17Å; D51-R56 WeakPolarHBondContact OD2-CD 3.37Å; D51-R56 IonicContact OD2-CZ 3.88Å; D51-R56 IonicContact OD2-NE 2.82Å; D51-R56 PolarHBondContact OD2-NE 2.77Å; D51-L122 HydrophobicContact CB-CD1 3.32Å; D51-Y124 WeakPolarHBondContact OD2-CE2 3.26Å; D51-Y124 VanDerWaalsContact OD2-CZ 3.23Å; D51-Y124 PolarHBondContact OD2-OH 3.38Å
52L97.9Very high96.9Very high1 Ų146.9 Ų46.91%0.00523%0.228CC..Iπ-helixtrans-63.9-48.9178.6-67.3175000111.5V48 Y49 R56 Q57 W58 V61 L74 V87 Y124V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.07Å; V48-L52 WeakPolarHBondContact O-CB 3.09Å; V48-L52 VanDerWaalsContact O-CG 3.24Å; V48-L52 WeakPolarHBondContact O-CG 3.23Å; V48-L52 PolarHBondContact O-N 2.85Å; Y49-L52 PolarHBondContact O-N 2.8Å; L52-R56 CarbonylContact O-C 3.53Å; L52-Q57 PolarHBondContact O-N 2.87Å; L52-W58 HydrophobicContact CB-CB 4.32Å; L52-W58 HydrophobicContact CB-CD2 4.49Å; L52-W58 HydrophobicContact CB-CG 4.28Å; L52-W58 HydrophobicContact CD2-CD2 3.82Å; L52-W58 HydrophobicContact CD2-CE3 4.13Å; L52-W58 HydrophobicContact CD2-CG 4.26Å; L52-W58 HydrophobicContact CD2-CH2 4.45Å; L52-W58 HydrophobicContact CD2-CZ2 4.15Å; L52-W58 HydrophobicContact CD2-CZ3 4.43Å; L52-W58 WeakPolarHBondContact O-CB 3.27Å; L52-W58 PolarHBondContact O-N 2.86Å; L52-V61 HydrophobicContact CB-CG1 4.32Å; L52-V61 HydrophobicContact CB-CG2 4.25Å; L52-V61 HydrophobicContact CD1-CG1 4.23Å; L52-L74 HydrophobicContact CD1-CD1 3.9Å; L52-V87 HydrophobicContact CD1-CB 4.36Å; L52-V87 HydrophobicContact CD1-CG1 4.44Å; L52-V87 HydrophobicContact CD1-CG2 3.95Å; L52-Y124 HydrophobicContact CD2-CE1 4.11Å
53A96.9Very high96.9Very high16 Ų1646.8 Ų46.813%0.13223%0.228CC..Iπ-helixtrans-77-46.3-174.600000112.9Y49 Q57 V61Y49-A53 HydrophobicContact CE1-CB 4.42Å; Y49-A53 HydrophobicContact CE2-CB 4.3Å; Y49-A53 VanDerWaalsContact O-CB 3.26Å; Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 2.82Å; A53-Q57 WeakPolarHBondContact O-CA 3.42Å; A53-Q57 PolarHBondContact O-NE2 2.87Å; A53-V61 HydrophobicContact CB-CG2 4.49Å
54E95.9Very high96.9Very high120 Ų12045.3 Ų45.356%0.56122%0.224SC*.Iπ-helixtrans-93.8-41.6-170.8-56.9-60.6151.700112.7L50 Q57L50-E54 HydrophobicContact CD2-CG 4.48Å; L50-E54 WeakPolarHBondContact O-CA 3.22Å; L50-E54 WeakPolarHBondContact O-CB 3.49Å; L50-E54 PolarHBondContact O-N 2.64Å; E54-Q57 PolarHBondContact O-NE2 3.08Å
55V96.4Very high96.8Very high108 Ų10847.4 Ų47.466%0.65525%0.246SC*.Iπ-helixtrans-87.1-50-176.1-176.80000110.7D51D51-V55 WeakPolarHBondContact O-CA 3.49Å; D51-V55 WeakPolarHBondContact O-CB 3.18Å; D51-V55 PolarHBondContact O-N 2.79Å; D51-V55 VanDerWaalsContact O-N 3.14Å
56R95.6Very high96.5Very high127 Ų12747.8 Ų47.848%0.47925%0.248SC..SBendtrans-90.3-8.8-177-62.4172.8178.5-87.1-5.5113.4D51 L52 W58 Y124D51-R56 PolarHBondContact O-N 3.17Å; D51-R56 WeakPolarHBondContact OD2-CD 3.37Å; D51-R56 IonicContact OD2-CZ 3.88Å; D51-R56 IonicContact OD2-NE 2.82Å; D51-R56 PolarHBondContact OD2-NE 2.77Å; L52-R56 CarbonylContact O-C 3.53Å; R56-W58 PolarHBondContact O-N 3.26Å; R56-Y124 VanDerWaalsContact NH2-CD2 3.29Å
57Q96.6Very high96.1Very high101 Ų10152.2 Ų52.247%0.47228%0.28SS..  trans58.931.4174.6-65.7-70.5-44.900114.2L52 A53 E54 K59L52-Q57 PolarHBondContact O-N 2.87Å; A53-Q57 WeakPolarHBondContact O-CA 3.42Å; A53-Q57 PolarHBondContact O-NE2 2.87Å; E54-Q57 PolarHBondContact O-NE2 3.08Å; Q57-K59 WeakPolarHBondContact O-CE 3.25Å
58W97.2Very high95.6Very high18 Ų1855.4 Ų55.47%0.06829%0.294CS..  trans-59.9149.4172.4-76.735.1000110.5L52 R56 V61 R77 E78 Q85 V87 L112L52-W58 HydrophobicContact CB-CB 4.32Å; L52-W58 HydrophobicContact CB-CD2 4.49Å; L52-W58 HydrophobicContact CB-CG 4.28Å; L52-W58 HydrophobicContact CD2-CD2 3.82Å; L52-W58 HydrophobicContact CD2-CE3 4.13Å; L52-W58 HydrophobicContact CD2-CG 4.26Å; L52-W58 HydrophobicContact CD2-CH2 4.45Å; L52-W58 HydrophobicContact CD2-CZ2 4.15Å; L52-W58 HydrophobicContact CD2-CZ3 4.43Å; L52-W58 WeakPolarHBondContact O-CB 3.27Å; L52-W58 PolarHBondContact O-N 2.86Å; R56-W58 PolarHBondContact O-N 3.26Å; W58-V61 HydrophobicContact CB-CG2 3.49Å; W58-V61 VanDerWaalsContact CB-CG2 3.49Å; W58-R77 CarbonylContact C-O 3.57Å; W58-R77 VanDerWaalsContact CA-O 3.25Å; W58-R77 WeakPolarHBondContact CA-O 3.33Å; W58-R77 WeakPolarHBondContact CB-O 3.42Å; W58-E78 HydrophobicContact CD2-CB 4.27Å; W58-E78 HydrophobicContact CH2-CB 4.39Å; W58-E78 HydrophobicContact CZ2-CB 3.79Å; W58-E78 HydrophobicContact CZ2-CG 4.04Å; W58-Q85 HydrophobicContact CH2-CB 3.97Å; W58-Q85 HydrophobicContact CH2-CG 4.49Å; W58-Q85 HydrophobicContact CZ3-CB 3.97Å; W58-V87 HydrophobicContact CH2-CG2 4.19Å; W58-V87 HydrophobicContact CZ3-CG2 3.98Å; W58-L112 HydrophobicContact CH2-CD2 4.37Å
59K95.8Very high95.2Very high94 Ų9456 Ų5641%0.40930%0.296SS..EExtended strand (participates in β ladder)trans-103149.6-179.6-54.3-55176-166.30110.6Q57 V61 R77Q57-K59 WeakPolarHBondContact O-CE 3.25Å; K59-V61 PolarHBondContact O-N 2.93Å; K59-R77 HydrophobicContact CB-CB 4.48Å; K59-R77 PolarHBondContact N-O 3.26Å; K59-R77 PolarHBondContact O-N 3.49Å
60E95.3Very high94.8Very high136 Ų13663.2 Ų63.264%0.63632%0.323SS*.EExtended strand (participates in β ladder)trans55.735.6175-56.7174.6177.900112.9S62 R77E60-S62 PolarHBondContact O-N 3.04Å; E60-R77 IonicContact OE2-CZ 3.55Å; E60-R77 IonicContact OE2-NE 2.76Å; E60-R77 PolarHBondContact OE2-NE 3.12Å; E60-R77 IonicContact OE2-NH2 3.43Å; E60-R77 PolarHBondContact OE2-NH2 2.85Å
61V97.3Very high94.6Very high18 Ų1861.3 Ų61.311%0.10931%0.314CS..EExtended strand (participates in β ladder)trans-70.2119.1179.6-168.80000109.4Y49 L52 A53 W58 K59 E75Y49-V61 HydrophobicContact CD2-CB 4.07Å; Y49-V61 HydrophobicContact CD2-CG1 3.65Å; Y49-V61 HydrophobicContact CE2-CB 4.06Å; Y49-V61 HydrophobicContact CE2-CG1 4.16Å; L52-V61 HydrophobicContact CB-CG1 4.32Å; L52-V61 HydrophobicContact CB-CG2 4.25Å; L52-V61 HydrophobicContact CD1-CG1 4.23Å; A53-V61 HydrophobicContact CB-CG2 4.49Å; W58-V61 HydrophobicContact CB-CG2 3.49Å; W58-V61 VanDerWaalsContact CB-CG2 3.49Å; K59-V61 PolarHBondContact O-N 2.93Å; V61-E75 CarbonylContact C-O 3.47Å; V61-E75 VanDerWaalsContact CA-O 3.25Å; V61-E75 WeakPolarHBondContact CA-O 3.26Å
62S96.8Very high94.5Very high33 Ų3360 Ų6023%0.23131%0.306CS..EExtended strand (participates in β ladder)trans-135156.6-177.9107.90000110.6E60 L74 E75E60-S62 PolarHBondContact O-N 3.04Å; S62-L74 CarbonylContact O-C 3.44Å; S62-L74 VanDerWaalsContact O-CA 3.27Å; S62-L74 WeakPolarHBondContact O-CA 3.45Å; S62-E75 PolarHBondContact N-O 3.34Å; S62-E75 PolarHBondContact O-N 2.94Å; S62-E75 VanDerWaalsContact OG-CG 3.22Å; S62-E75 WeakPolarHBondContact OG-CG 3.47Å; S62-E75 PolarHBondContact OG-OE1 2.89Å
63G96Very high94.4Very high3 Ų360 Ų603%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-100.313617400000112.5H30 L73H30-G63 PolarHBondContact NE2-O 3.39Å; H30-G63 VanDerWaalsContact NE2-O 3.09Å; G63-L73 WeakPolarHBondContact CA-O 3.37Å
64V94.8Very high94.4Very high39 Ų3959.3 Ų59.324%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-130.3137.7177.9-610000111L73 E75 M86V64-L73 HydrophobicContact CG2-CB 3.91Å; V64-L73 PolarHBondContact N-O 2.88Å; V64-L73 PolarHBondContact O-N 3.44Å; V64-E75 HydrophobicContact CG1-CG 4.1Å; V64-M86 HydrophobicContact CG2-CE 3.85Å
65G94.1Very high94.4Very high46 Ų4656.7 Ų56.747%0.47429%0.289SS..EExtended strand (participates in β ladder)trans-75.4132.3175.700000111.4
66C91.6Very high94.3Very high8 Ų851.6 Ų51.65%0.05426%0.257CS..EExtended strand (participates in β ladder)trans-109.6108.3172.81760000110.2E68 R70 L71 L73C66-E68 VanDerWaalsContact C-N 3.3Å; C66-E68 PolarHBondContact O-N 2.81Å; C66-E68 PolarHBondContact SG-OE2 3.39Å; C66-R70 VanDerWaalsContact O-CA 3.23Å; C66-R70 WeakPolarHBondContact O-CA 3.47Å; C66-R70 PolarHBondContact O-N 3.07Å; C66-L71 WeakPolarHBondContact CB-O 3.47Å; C66-L71 PolarHBondContact N-O 2.94Å; C66-L71 PolarHBondContact O-N 3.22Å; C66-L71 VanDerWaalsContact O-N 3.17Å; C66-L73 HydrophobicContact CB-CD1 3.63Å; C66-L73 HydrophobicContact CB-CD2 4.48Å; C66-L73 HydrophobicContact CB-CG 3.7Å
67S88.8Confident94.3Very high94 Ų9448.9 Ų48.966%0.65725%0.247SC*.THydrogen-bonded Turntrans-64.6-33.3-178.367.70000113.3R70S67-R70 WeakPolarHBondContact O-CG 3.44Å; S67-R70 PolarHBondContact O-N 3.31Å
68E88.4Confident94.2Very high97 Ų9748.5 Ų48.545%0.45325%0.246SC..THydrogen-bonded Turntrans-69.6-38.4-175.9-60.989.1151.500111.5C66 V104C66-E68 VanDerWaalsContact C-N 3.3Å; C66-E68 PolarHBondContact O-N 2.81Å; C66-E68 PolarHBondContact SG-OE2 3.39Å; E68-V104 HydrophobicContact CB-CG2 4.39Å
69L89.1Confident94Very high11 Ų1154 Ų546%0.05827%0.27CS..THydrogen-bonded Turntrans-94.5-16.9177.2-62-175000112.6L71 L73 L88 R94 S100 V104L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CB 3.81Å; L69-L71 HydrophobicContact CB-CD1 4.02Å; L69-L71 HydrophobicContact CB-CG 3.92Å; L69-L71 HydrophobicContact CD1-CD1 4.36Å; L69-L73 HydrophobicContact CD1-CD2 4.37Å; L69-L88 HydrophobicContact CD1-CD1 4Å; L69-L88 HydrophobicContact CD1-CD2 4.19Å; L69-R94 PolarHBondContact O-NH2 3.27Å; L69-S100 VanDerWaalsContact CD2-O 3.26Å; L69-S100 WeakPolarHBondContact CD2-O 3.48Å; L69-V104 HydrophobicContact CD1-CG2 3.74Å; L69-V104 HydrophobicContact CD2-CG2 3.89Å; L69-V104 HydrophobicContact CG-CG2 3.59Å
70R90.9Very high93.6Very high189 Ų18958.1 Ų58.171%0.71329%0.29SS*.THydrogen-bonded Turntrans48.256.2-163.2-57.4177.3177.8179.5-4.2108.9V36 C66 S67 R94V36-R70 WeakPolarHBondContact CG1-O 3.39Å; C66-R70 VanDerWaalsContact O-CA 3.23Å; C66-R70 WeakPolarHBondContact O-CA 3.47Å; C66-R70 PolarHBondContact O-N 3.07Å; S67-R70 WeakPolarHBondContact O-CG 3.44Å; S67-R70 PolarHBondContact O-N 3.31Å; R70-R94 PolarHBondContact O-NH2 2.95Å
71L93.4Very high93.2Very high0 Ų055.1 Ų55.10%030%0.296CS..EExtended strand (participates in β ladder)trans-138.7151.1-179.3-75.3-174.6000112.5Q41 C66 L69 L88 L96Q41-L71 HydrophobicContact CB-CD2 3.95Å; Q41-L71 VanDerWaalsContact CD-CD2 3.42Å; Q41-L71 HydrophobicContact CG-CD2 3.35Å; C66-L71 WeakPolarHBondContact CB-O 3.47Å; C66-L71 PolarHBondContact N-O 2.94Å; C66-L71 PolarHBondContact O-N 3.22Å; C66-L71 VanDerWaalsContact O-N 3.17Å; L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CB 3.81Å; L69-L71 HydrophobicContact CB-CD1 4.02Å; L69-L71 HydrophobicContact CB-CG 3.92Å; L69-L71 HydrophobicContact CD1-CD1 4.36Å; L71-L88 HydrophobicContact CD1-CD1 3.73Å; L71-L96 HydrophobicContact CD1-CD1 4.25Å; L71-L96 HydrophobicContact CD1-CD2 3.9Å
72V95.8Very high92.9Very high0 Ų058.9 Ų58.90%031%0.312CS..EExtended strand (participates in β ladder)trans-75.5127.5162.9175.20000108.3L31 L34 V36 Q41 V42 A45 P89L31-V72 HydrophobicContact CD2-CG1 3.77Å; L34-V72 HydrophobicContact CB-CG2 4.42Å; L34-V72 HydrophobicContact CD1-CG1 4.02Å; L34-V72 HydrophobicContact CD1-CG2 4.1Å; V36-V72 HydrophobicContact CB-CG2 4.14Å; V36-V72 HydrophobicContact CG2-CG2 3.51Å; Q41-V72 PolarHBondContact NE2-O 2.82Å; V42-V72 HydrophobicContact CG2-CG2 4.13Å; A45-V72 HydrophobicContact CB-CB 4.16Å; A45-V72 HydrophobicContact CB-CG1 3.88Å; V72-P89 WeakPolarHBondContact O-CD 3.46Å
73L95.2Very high92.7Very high3 Ų361.3 Ų61.32%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-101.9159.2164-55.8179.4000108.8G63 V64 C66 L69 M86 L88 V104 M111G63-L73 WeakPolarHBondContact CA-O 3.37Å; V64-L73 HydrophobicContact CG2-CB 3.91Å; V64-L73 PolarHBondContact N-O 2.88Å; V64-L73 PolarHBondContact O-N 3.44Å; C66-L73 HydrophobicContact CB-CD1 3.63Å; C66-L73 HydrophobicContact CB-CD2 4.48Å; C66-L73 HydrophobicContact CB-CG 3.7Å; L69-L73 HydrophobicContact CD1-CD2 4.37Å; L73-M86 HydrophobicContact CB-CE 3.71Å; L73-M86 HydrophobicContact CD1-CE 3.59Å; L73-M86 HydrophobicContact CG-CE 4.3Å; L73-L88 HydrophobicContact CD2-CB 3.96Å; L73-L88 HydrophobicContact CD2-CD1 3.46Å; L73-L88 VanDerWaalsContact CD2-CD1 3.46Å; L73-L88 HydrophobicContact CD2-CG 4.26Å; L73-V104 HydrophobicContact CD1-CG1 4.48Å; L73-M111 HydrophobicContact CD1-CE 4.16Å
74L97Very high92.6Very high0 Ų064.4 Ų64.40%035%0.346CS..EExtended strand (participates in β ladder)trans-109144.6166.8-55.5174.6000109.1L31 V48 L52 S62 M86 V87 P89L31-L74 HydrophobicContact CD2-CD2 4.29Å; V48-L74 HydrophobicContact CB-CD1 3.87Å; V48-L74 HydrophobicContact CG1-CD1 3.67Å; L52-L74 HydrophobicContact CD1-CD1 3.9Å; S62-L74 CarbonylContact O-C 3.44Å; S62-L74 VanDerWaalsContact O-CA 3.27Å; S62-L74 WeakPolarHBondContact O-CA 3.45Å; L74-M86 CarbonylContact O-C 3.57Å; L74-M86 WeakPolarHBondContact O-CA 3.34Å; L74-V87 HydrophobicContact CB-CB 4.25Å; L74-V87 PolarHBondContact N-O 2.96Å; L74-V87 PolarHBondContact O-N 2.94Å; L74-P89 HydrophobicContact CD1-CG 4.06Å; L74-P89 HydrophobicContact CG-CG 4Å
75E95.7Very high92.5Very high66 Ų6664.8 Ų64.831%0.30835%0.345SS..EExtended strand (participates in β ladder)trans-120.7146.2169.361.2179.6-166.600108.6V61 S62 V64 T84 Q85 M86V61-E75 CarbonylContact C-O 3.47Å; V61-E75 VanDerWaalsContact CA-O 3.25Å; V61-E75 WeakPolarHBondContact CA-O 3.26Å; S62-E75 PolarHBondContact N-O 3.34Å; S62-E75 PolarHBondContact O-N 2.94Å; S62-E75 VanDerWaalsContact OG-CG 3.22Å; S62-E75 WeakPolarHBondContact OG-CG 3.47Å; S62-E75 PolarHBondContact OG-OE1 2.89Å; V64-E75 HydrophobicContact CG1-CG 4.1Å; E75-T84 HydrophobicContact CB-CG2 3.79Å; E75-Q85 WeakPolarHBondContact CA-O 3.46Å; E75-M86 HydrophobicContact CB-SD 3.82Å
76G95.7Very high92.5Very high0 Ų064.3 Ų64.30%033%0.331CS..EExtended strand (participates in β ladder)trans-179.3173.1177.300000112.1T84 Q85G76-T84 WeakPolarHBondContact O-CA 3.22Å; G76-Q85 PolarHBondContact N-O 3.26Å; G76-Q85 VanDerWaalsContact N-O 3.11Å; G76-Q85 PolarHBondContact O-N 3.14Å
77R95.6Very high92.8Very high71 Ų7163.9 Ų63.927%0.26833%0.328SS..EExtended strand (participates in β ladder)trans-111.7126.9-180-57.9179-169.6-104.54.3110W58 K59 E60 K79 E82W58-R77 CarbonylContact C-O 3.57Å; W58-R77 VanDerWaalsContact CA-O 3.25Å; W58-R77 WeakPolarHBondContact CA-O 3.33Å; W58-R77 WeakPolarHBondContact CB-O 3.42Å; K59-R77 HydrophobicContact CB-CB 4.48Å; K59-R77 PolarHBondContact N-O 3.26Å; K59-R77 PolarHBondContact O-N 3.49Å; E60-R77 IonicContact OE2-CZ 3.55Å; E60-R77 IonicContact OE2-NE 2.76Å; E60-R77 PolarHBondContact OE2-NE 3.12Å; E60-R77 IonicContact OE2-NH2 3.43Å; E60-R77 PolarHBondContact OE2-NH2 2.85Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.4Å; R77-E82 PolarHBondContact NH1-O 2.83Å
78E93.8Very high93.1Very high93 Ų9359.5 Ų59.544%0.43530%0.297SS..SBendtrans-64.3-37.6177.7-175.8175.6175.500112.2W58 Q85W58-E78 HydrophobicContact CD2-CB 4.27Å; W58-E78 HydrophobicContact CH2-CB 4.39Å; W58-E78 HydrophobicContact CZ2-CB 3.79Å; W58-E78 HydrophobicContact CZ2-CG 4.04Å; E78-Q85 PolarHBondContact OE2-NE2 2.96Å; E78-Q85 VanDerWaalsContact OE2-NE2 3.1Å
79K92.4Very high93.5Very high133 Ų13354.9 Ų54.958%0.57828%0.276SS*.SBendtrans-138.7160.2174.8-61175.5-175.6169.90109.8R77 G81 E82R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.4Å; K79-G81 PolarHBondContact O-N 3.34Å; K79-E82 HydrophobicContact CB-CG 3.82Å; K79-E82 WeakPolarHBondContact O-CB 3.49Å; K79-E82 PolarHBondContact O-N 2.84Å
80E88.9Confident93.8Very high180 Ų18055.4 Ų55.484%0.84128%0.278SS*.THydrogen-bonded Turntrans-60.8132.2174.3-170.3169.1-16100110.6E82E80-E82 VanDerWaalsContact C-N 3.28Å; E80-E82 PolarHBondContact O-N 3.03Å
81G87Confident94.1Very high73 Ų7346.6 Ų46.675%0.75325%0.246SC*.THydrogen-bonded Turntrans83.1-11.8-177.400000115.9K79K79-G81 PolarHBondContact O-N 3.34Å
82E90.5Very high94.2Very high97 Ų9750.1 Ų50.145%0.45327%0.267SS..SBendtrans-74.7156.1174.6-70.2-65.615700111.6R77 K79 E80R77-E82 PolarHBondContact NH1-O 2.83Å; K79-E82 HydrophobicContact CB-CG 3.82Å; K79-E82 WeakPolarHBondContact O-CB 3.49Å; K79-E82 PolarHBondContact O-N 2.84Å; E80-E82 VanDerWaalsContact C-N 3.28Å; E80-E82 PolarHBondContact O-N 3.03Å
83P91.8Very high94Very high85 Ų8556.4 Ų56.455%0.55230%0.296SS*.PPolyproline II helixtrans-64.9147.3176.427.9-33.7000111Q85P83-Q85 PolarHBondContact O-N 3.41Å
84T93.3Very high93.8Very high67 Ų6759 Ų5941%0.41131%0.306SS..PPolyproline II helixtrans-61.2124.4173-54.60000109.7E75 G76E75-T84 HydrophobicContact CB-CG2 3.79Å; G76-T84 WeakPolarHBondContact O-CA 3.22Å
85Q93.6Very high93.5Very high48 Ų4862.1 Ų62.122%0.22434%0.339CS..EExtended strand (participates in β ladder)trans-100.7145.9175.7-62.7-171.454.500110W58 E75 G76 E78 P83W58-Q85 HydrophobicContact CH2-CB 3.97Å; W58-Q85 HydrophobicContact CH2-CG 4.49Å; W58-Q85 HydrophobicContact CZ3-CB 3.97Å; E75-Q85 WeakPolarHBondContact CA-O 3.46Å; G76-Q85 PolarHBondContact N-O 3.26Å; G76-Q85 VanDerWaalsContact N-O 3.11Å; G76-Q85 PolarHBondContact O-N 3.14Å; E78-Q85 PolarHBondContact OE2-NE2 2.96Å; E78-Q85 VanDerWaalsContact OE2-NE2 3.1Å; P83-Q85 PolarHBondContact O-N 3.41Å
86M94.6Very high93.2Very high35 Ų3561.4 Ų61.417%0.17234%0.337CS..EExtended strand (participates in β ladder)trans-96.3133.1174.6-63.7-62.7-58.200110V64 L73 L74 E75 M111 L112V64-M86 HydrophobicContact CG2-CE 3.85Å; L73-M86 HydrophobicContact CB-CE 3.71Å; L73-M86 HydrophobicContact CD1-CE 3.59Å; L73-M86 HydrophobicContact CG-CE 4.3Å; L74-M86 CarbonylContact O-C 3.57Å; L74-M86 WeakPolarHBondContact O-CA 3.34Å; E75-M86 HydrophobicContact CB-SD 3.82Å; M86-M111 HydrophobicContact CB-CE 3.92Å; M86-M111 HydrophobicContact CB-CG 4.41Å; M86-L112 PolarHBondContact O-N 3.41Å
87V96.6Very high93Very high0 Ų064.2 Ų64.20%036%0.356CS..EExtended strand (participates in β ladder)trans-117.9134.5175.3-169.90000109.2V48 L52 W58 L74 P89 L112 C114 Y124V48-V87 HydrophobicContact CG1-CG1 3.96Å; L52-V87 HydrophobicContact CD1-CB 4.36Å; L52-V87 HydrophobicContact CD1-CG1 4.44Å; L52-V87 HydrophobicContact CD1-CG2 3.95Å; W58-V87 HydrophobicContact CH2-CG2 4.19Å; W58-V87 HydrophobicContact CZ3-CG2 3.98Å; L74-V87 HydrophobicContact CB-CB 4.25Å; L74-V87 PolarHBondContact N-O 2.96Å; L74-V87 PolarHBondContact O-N 2.94Å; V87-P89 WeakPolarHBondContact O-CD 3.18Å; V87-L112 CarbonylContact C-O 3.5Å; V87-L112 WeakPolarHBondContact CA-O 3.19Å; V87-L112 HydrophobicContact CG1-CB 4.34Å; V87-L112 WeakPolarHBondContact CG1-O 3.36Å; V87-L112 HydrophobicContact CG2-CB 4.16Å; V87-L112 HydrophobicContact CG2-CD2 4.27Å; V87-C114 HydrophobicContact CG1-CB 4.06Å; V87-Y124 HydrophobicContact CG1-CE1 4.36Å
88L95.8Very high92.7Very high1 Ų168.3 Ų68.31%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-108.1102.1175.9169.859000109.4L69 L71 L73 L90 L96 M111 L112 L113 C114 M127L69-L88 HydrophobicContact CD1-CD1 4Å; L69-L88 HydrophobicContact CD1-CD2 4.19Å; L71-L88 HydrophobicContact CD1-CD1 3.73Å; L73-L88 HydrophobicContact CD2-CB 3.96Å; L73-L88 HydrophobicContact CD2-CD1 3.46Å; L73-L88 VanDerWaalsContact CD2-CD1 3.46Å; L73-L88 HydrophobicContact CD2-CG 4.26Å; L88-L90 PolarHBondContact O-N 3.21Å; L88-L96 HydrophobicContact CD2-CD1 3.73Å; L88-M111 HydrophobicContact CB-CG 4.22Å; L88-M111 HydrophobicContact CB-SD 3.65Å; L88-M111 HydrophobicContact CD2-SD 4.13Å; L88-L112 PolarHBondContact N-O 2.79Å; L88-L113 HydrophobicContact CB-CD1 4.4Å; L88-L113 HydrophobicContact CD2-CD1 3.97Å; L88-L113 HydrophobicContact CG-CD1 3.99Å; L88-C114 PolarHBondContact O-N 3.34Å; L88-M127 HydrophobicContact CB-CE 4.5Å; L88-M127 HydrophobicContact CD2-CE 3.8Å
89P97.1Very high92.5Very high0 Ų074.1 Ų74.10%040%0.396CS..EExtended strand (participates in β ladder)trans-73.9118.7171.6-15.732.1000110.1Q41 A45 V48 V72 L74 V87Q41-P89 PolarHBondContact NE2-O 3.1Å; Q41-P89 VanDerWaalsContact NE2-O 3.08Å; A45-P89 HydrophobicContact CB-CB 3.94Å; A45-P89 HydrophobicContact CB-CG 3.74Å; V48-P89 HydrophobicContact CB-CB 4.32Å; V48-P89 HydrophobicContact CB-CG 4.24Å; V48-P89 HydrophobicContact CG1-CG 4.43Å; V48-P89 HydrophobicContact CG2-CB 3.9Å; V48-P89 HydrophobicContact CG2-CG 4.33Å; V72-P89 WeakPolarHBondContact O-CD 3.46Å; L74-P89 HydrophobicContact CD1-CG 4.06Å; L74-P89 HydrophobicContact CG-CG 4Å; V87-P89 WeakPolarHBondContact O-CD 3.18Å
90L96.4Very high92.3Very high22 Ų2269.4 Ų69.412%0.11538%0.38CS..EExtended strand (participates in β ladder)trans-123.5109.3-179.6-174.264.7000110.5L88 R94 L96 L113 C114 V115 V116L88-L90 PolarHBondContact O-N 3.21Å; L90-R94 HydrophobicContact CD1-CB 4.2Å; L90-R94 HydrophobicContact CD1-CG 4.23Å; L90-R94 WeakPolarHBondContact CD1-O 3.28Å; L90-L96 HydrophobicContact CD1-CD1 3.78Å; L90-L96 HydrophobicContact CD1-CG 3.76Å; L90-L96 HydrophobicContact CD2-CD1 4.09Å; L90-L96 HydrophobicContact CD2-CG 4.33Å; L90-L113 HydrophobicContact CB-CD1 3.83Å; L90-L113 HydrophobicContact CD2-CD1 4.08Å; L90-C114 PolarHBondContact N-O 2.87Å; L90-V115 WeakPolarHBondContact O-CA 3.33Å; L90-V116 PolarHBondContact O-N 3.34Å
91P96.3Very high92.4Very high4 Ų462.1 Ų62.13%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-65.8141.7172.724.4-30.2000111.1Q41 A44 H93 R94 V116Q41-P91 HydrophobicContact CB-CG 4.27Å; Q41-P91 HydrophobicContact CG-CG 4.41Å; A44-P91 HydrophobicContact CB-CB 4.05Å; A44-P91 HydrophobicContact CB-CG 4.26Å; P91-H93 PolarHBondContact O-N 3.22Å; P91-R94 HydrophobicContact CG-CB 3.86Å; P91-R94 PolarHBondContact O-N 3.44Å; P91-V116 WeakPolarHBondContact CA-O 3.47Å
92V94.7Very high92.5Very high75 Ų7565.8 Ų65.846%0.45534%0.339SS..THydrogen-bonded Turntrans-56.2-26.3-174.6-75.50000115.3V115 V116 A117V92-V115 HydrophobicContact CG1-CG1 3.59Å; V92-V116 WeakPolarHBondContact CG1-O 3.4Å; V92-V116 PolarHBondContact N-O 3.32Å; V92-A117 HydrophobicContact CG1-CB 4.15Å
93H91.7Very high92.4Very high132 Ų13263.8 Ų63.861%0.61134%0.336SS*.THydrogen-bonded Turntrans-86.7-5.9-179.955.3-92.5000113.2A40 P91A40-H93 WeakPolarHBondContact CB-NE2 3.41Å; P91-H93 PolarHBondContact O-N 3.22Å
94R91.3Very high92.2Very high56 Ų5660 Ų6021%0.21131%0.311CS..  trans-103.4123.5177.9-175167.4176.7167.1-7.3110.5D38 L69 R70 L90 P91D38-R94 VanDerWaalsContact CB-NH1 3.29Å; D38-R94 WeakPolarHBondContact OD2-CD 3.41Å; D38-R94 IonicContact OD2-CZ 3.86Å; D38-R94 IonicContact OD2-NE 2.64Å; D38-R94 IonicContact OD2-NH1 3.61Å; D38-R94 PolarHBondContact OD2-NH1 3.09Å; L69-R94 PolarHBondContact O-NH2 3.27Å; R70-R94 PolarHBondContact O-NH2 2.95Å; L90-R94 HydrophobicContact CD1-CB 4.2Å; L90-R94 HydrophobicContact CD1-CG 4.23Å; L90-R94 WeakPolarHBondContact CD1-O 3.28Å; P91-R94 HydrophobicContact CG-CB 3.86Å; P91-R94 PolarHBondContact O-N 3.44Å
95G90.3Very high91.9Very high67 Ų6757.4 Ų57.469%0.69130%0.295SS*.  trans-84.9153.2171.700000112.5
96L89.5Confident91.5Very high51 Ų5158.1 Ų58.127%0.26731%0.309SS..  trans-124.1143.1167-72.8178.5000110.3L71 L88 L90 V101L71-L96 HydrophobicContact CD1-CD1 4.25Å; L71-L96 HydrophobicContact CD1-CD2 3.9Å; L88-L96 HydrophobicContact CD2-CD1 3.73Å; L90-L96 HydrophobicContact CD1-CD1 3.78Å; L90-L96 HydrophobicContact CD1-CG 3.76Å; L90-L96 HydrophobicContact CD2-CD1 4.09Å; L90-L96 HydrophobicContact CD2-CG 4.33Å; L96-V101 HydrophobicContact CB-CG2 4.02Å; L96-V101 HydrophobicContact CD1-CG2 4.17Å
97S91Very high90.8Very high59 Ų5965 Ų6541%0.41333%0.333SS..  trans-80.5145.8173.188.30000110.5R99 S100 V101S97-R99 PolarHBondContact O-N 3.25Å; S97-S100 WeakPolarHBondContact O-CB 3.41Å; S97-S100 PolarHBondContact O-N 2.96Å; S97-S100 WeakPolarHBondContact OG-CB 3.4Å; S97-S100 PolarHBondContact OG-N 3.06Å; S97-S100 VanDerWaalsContact OG-N 3.07Å; S97-S100 PolarHBondContact OG-OG 2.96Å; S97-V101 PolarHBondContact O-N 3.47Å; S97-V101 VanDerWaalsContact O-N 3.07Å
98H89.3Confident89.8Confident157 Ų15768.1 Ų68.173%0.72736%0.364SS*.Hα-helixtrans-56.2-36.3174.1-173.4-84000112.2S100 V101 R102H98-S100 PolarHBondContact O-N 3.4Å; H98-V101 PolarHBondContact O-N 3.24Å; H98-R102 VanDerWaalsContact O-CB 3.31Å; H98-R102 WeakPolarHBondContact O-CB 3.49Å; H98-R102 PolarHBondContact O-N 3.44Å
99R90.8Very high89Confident214 Ų21471.8 Ų71.881%0.80839%0.39SS*.Hα-helixtrans-60.2-45.1176-178.8-177.3177.8-133.8-0111.6S97 R102 S103S97-R99 PolarHBondContact O-N 3.25Å; R99-R102 PolarHBondContact O-N 2.92Å; R99-S103 PolarHBondContact O-N 3.44Å; R99-S103 VanDerWaalsContact O-N 3.07Å
100S89.1Confident88.4Confident35 Ų3574.3 Ų74.325%0.24541%0.407CS..Hα-helixtrans-66.1-44.1-180-56.70000111.4L69 S97 H98 R102 S103L69-S100 VanDerWaalsContact CD2-O 3.26Å; L69-S100 WeakPolarHBondContact CD2-O 3.48Å; S97-S100 WeakPolarHBondContact O-CB 3.41Å; S97-S100 PolarHBondContact O-N 2.96Å; S97-S100 WeakPolarHBondContact OG-CB 3.4Å; S97-S100 PolarHBondContact OG-N 3.06Å; S97-S100 VanDerWaalsContact OG-N 3.07Å; S97-S100 PolarHBondContact OG-OG 2.96Å; H98-S100 PolarHBondContact O-N 3.4Å; S100-R102 VanDerWaalsContact C-N 3.34Å; S100-R102 PolarHBondContact O-N 3.18Å; S100-S103 PolarHBondContact O-N 3.48Å; S100-S103 PolarHBondContact O-OG 3.34Å
101V89.4Confident88.1Confident27 Ų2773.7 Ų73.716%0.16440%0.403CS..Hα-helixtrans-62.6-44.7176.6176.10000110.5L96 S97 H98 S103 V104 L105 M127L96-V101 HydrophobicContact CB-CG2 4.02Å; L96-V101 HydrophobicContact CD1-CG2 4.17Å; S97-V101 PolarHBondContact O-N 3.47Å; S97-V101 VanDerWaalsContact O-N 3.07Å; H98-V101 PolarHBondContact O-N 3.24Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.24Å; V101-V104 PolarHBondContact O-N 3.42Å; V101-V104 VanDerWaalsContact O-N 3.16Å; V101-L105 HydrophobicContact CG1-CD1 3.69Å; V101-L105 HydrophobicContact CG1-CG 4.2Å; V101-L105 WeakPolarHBondContact O-CG 3.01Å; V101-L105 PolarHBondContact O-N 3.07Å; V101-M127 HydrophobicContact CG1-CE 4.19Å; V101-M127 HydrophobicContact CG1-SD 3.79Å
102R89.5Confident88Confident149 Ų14975 Ų7556%0.56241%0.41SS*.Hα-helixtrans-62.1-37179.5-170.7176.7175.9-167.8-2.9113H98 R99 S100 V104 L105 A106H98-R102 VanDerWaalsContact O-CB 3.31Å; H98-R102 WeakPolarHBondContact O-CB 3.49Å; H98-R102 PolarHBondContact O-N 3.44Å; R99-R102 PolarHBondContact O-N 2.92Å; S100-R102 VanDerWaalsContact C-N 3.34Å; S100-R102 PolarHBondContact O-N 3.18Å; R102-V104 PolarHBondContact O-N 2.91Å; R102-L105 PolarHBondContact O-N 3.03Å; R102-A106 VanDerWaalsContact O-CB 3.27Å; R102-A106 WeakPolarHBondContact O-CB 3.43Å; R102-A106 PolarHBondContact O-N 3.01Å
103S87.9Confident88.1Confident56 Ų5672.5 Ų72.539%0.39239%0.394SS..Hα-helixtrans-62.1-29.6178.156.60000112.8R99 S100 V101R99-S103 PolarHBondContact O-N 3.44Å; R99-S103 VanDerWaalsContact O-N 3.07Å; S100-S103 PolarHBondContact O-N 3.48Å; S100-S103 PolarHBondContact O-OG 3.34Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.24Å
104V87.3Confident88.3Confident6 Ų666.2 Ų66.24%0.03637%0.365CS..Hα-helixtrans-84.8-38.9177.5-168.60000111.8E68 L69 L73 V101 R102 A106 R107 M111E68-V104 HydrophobicContact CB-CG2 4.39Å; L69-V104 HydrophobicContact CD1-CG2 3.74Å; L69-V104 HydrophobicContact CD2-CG2 3.89Å; L69-V104 HydrophobicContact CG-CG2 3.59Å; L73-V104 HydrophobicContact CD1-CG1 4.48Å; V101-V104 PolarHBondContact O-N 3.42Å; V101-V104 VanDerWaalsContact O-N 3.16Å; R102-V104 PolarHBondContact O-N 2.91Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 3.08Å; V104-R107 WeakPolarHBondContact O-CB 3.42Å; V104-R107 WeakPolarHBondContact O-CG 3.47Å; V104-R107 PolarHBondContact O-N 3.19Å; V104-M111 HydrophobicContact CB-CE 4.35Å; V104-M111 HydrophobicContact CG1-CE 3.32Å; V104-M111 HydrophobicContact CG1-SD 4.36Å
105L88.8Confident88.6Confident12 Ų1265.7 Ų65.76%0.06337%0.367CS..Hα-helixtrans-68.7-28.7177.1-67.2175.7000113.4V101 R102 R107 G108 M111 M127 D129V101-L105 HydrophobicContact CG1-CD1 3.69Å; V101-L105 HydrophobicContact CG1-CG 4.2Å; V101-L105 WeakPolarHBondContact O-CG 3.01Å; V101-L105 PolarHBondContact O-N 3.07Å; R102-L105 PolarHBondContact O-N 3.03Å; L105-R107 PolarHBondContact O-N 3.5Å; L105-G108 PolarHBondContact O-N 3.39Å; L105-M111 HydrophobicContact CD2-CB 3.71Å; L105-M127 HydrophobicContact CD1-CB 4.08Å; L105-M127 HydrophobicContact CD2-CB 3.99Å; L105-D129 HydrophobicContact CB-CB 4.12Å
106A84.5Confident89Confident63 Ų6362.8 Ų62.852%0.52134%0.337SS..THydrogen-bonded Turntrans-60.2-10.7177.700000113.9R102 V104 G108R102-A106 VanDerWaalsContact O-CB 3.27Å; R102-A106 WeakPolarHBondContact O-CB 3.43Å; R102-A106 PolarHBondContact O-N 3.01Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 3.08Å; A106-G108 PolarHBondContact O-N 3.32Å
107R80.7Confident89.3Confident180 Ų18061.8 Ų61.868%0.67934%0.335SS*.THydrogen-bonded Turntrans-69.2-7.2171.7-5917677.1-172.53.9112.9V104 L105V104-R107 WeakPolarHBondContact O-CB 3.42Å; V104-R107 WeakPolarHBondContact O-CG 3.47Å; V104-R107 PolarHBondContact O-N 3.19Å; L105-R107 PolarHBondContact O-N 3.5Å
108G73.8Confident89.5Confident64 Ų6464.1 Ų64.166%0.6635%0.352SS*.SBendtrans90.3-8.3172.300000114.8L105 A106L105-G108 PolarHBondContact O-N 3.39Å; A106-G108 PolarHBondContact O-N 3.32Å
109S78.9Confident89.8Confident79 Ų7962.1 Ų62.155%0.55235%0.347SS*.SBendtrans-96.5129.7178.1-61.20000111.2
110P84.6Confident89.9Confident53 Ų5355.1 Ų55.134%0.34433%0.33SS..  trans-52.3142166.9-27.536.7000111.3
111M90.9Very high90.3Very high9 Ų956.2 Ų56.24%0.04434%0.338CS..EExtended strand (participates in β ladder)trans-121.6141.9178.3177173.3-7200109.7L73 M86 L88 V104 L105 M127L73-M111 HydrophobicContact CD1-CE 4.16Å; M86-M111 HydrophobicContact CB-CE 3.92Å; M86-M111 HydrophobicContact CB-CG 4.41Å; L88-M111 HydrophobicContact CB-CG 4.22Å; L88-M111 HydrophobicContact CB-SD 3.65Å; L88-M111 HydrophobicContact CD2-SD 4.13Å; V104-M111 HydrophobicContact CB-CE 4.35Å; V104-M111 HydrophobicContact CG1-CE 3.32Å; V104-M111 HydrophobicContact CG1-SD 4.36Å; L105-M111 HydrophobicContact CD2-CB 3.71Å; M111-M127 HydrophobicContact CB-CE 4.3Å; M111-M127 HydrophobicContact CG-CE 3.92Å; M111-M127 PolarHBondContact N-O 3.03Å; M111-M127 PolarHBondContact O-N 3.22Å; M111-M127 HydrophobicContact SD-CE 3.8Å
112L94.6Very high90.7Very high30 Ų3057 Ų5716%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-92.9112.7173.5-165.566000109.4W58 M86 V87 L88 Y124W58-L112 HydrophobicContact CH2-CD2 4.37Å; M86-L112 PolarHBondContact O-N 3.41Å; V87-L112 CarbonylContact C-O 3.5Å; V87-L112 WeakPolarHBondContact CA-O 3.19Å; V87-L112 HydrophobicContact CG1-CB 4.34Å; V87-L112 WeakPolarHBondContact CG1-O 3.36Å; V87-L112 HydrophobicContact CG2-CB 4.16Å; V87-L112 HydrophobicContact CG2-CD2 4.27Å; L88-L112 PolarHBondContact N-O 2.79Å; L112-Y124 HydrophobicContact CD2-CD1 3.43Å; L112-Y124 VanDerWaalsContact CD2-CD1 3.43Å; L112-Y124 HydrophobicContact CD2-CE1 4.05Å; L112-Y124 HydrophobicContact CD2-CG 4.26Å; L112-Y124 HydrophobicContact CG-CD1 3.82Å
113L95.4Very high91.1Very high23 Ų2354.2 Ų54.212%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-75.3130.5167.4179.563.3000108.7L88 L90 V115 Y124 Q125 M127L88-L113 HydrophobicContact CB-CD1 4.4Å; L88-L113 HydrophobicContact CD2-CD1 3.97Å; L88-L113 HydrophobicContact CG-CD1 3.99Å; L90-L113 HydrophobicContact CB-CD1 3.83Å; L90-L113 HydrophobicContact CD2-CD1 4.08Å; L113-V115 HydrophobicContact CD2-CG2 4.03Å; L113-V115 HydrophobicContact CG-CG2 4.08Å; L113-Y124 CarbonylContact O-C 3.58Å; L113-Y124 WeakPolarHBondContact O-CA 3.44Å; L113-Q125 WeakPolarHBondContact CB-O 3.33Å; L113-Q125 PolarHBondContact N-O 3.09Å; L113-Q125 PolarHBondContact O-N 2.97Å; L113-M127 HydrophobicContact CB-CE 3.84Å; L113-M127 HydrophobicContact CB-CG 3.91Å; L113-M127 HydrophobicContact CB-SD 3.88Å; L113-M127 HydrophobicContact CD1-CE 4.37Å; L113-M127 HydrophobicContact CD2-SD 4.16Å; L113-M127 HydrophobicContact CG-SD 4.45Å
114C97.6Very high91.5Very high0 Ų053.9 Ų53.90%033%0.331CS..EExtended strand (participates in β ladder)trans-117.2109.9167.6-171.80000109.4V48 V87 L88 L90 V123 Y124V48-C114 HydrophobicContact CG1-CB 4.08Å; V48-C114 HydrophobicContact CG2-CB 3.9Å; V48-C114 WeakPolarHBondContact CG2-SG 3.38Å; V87-C114 HydrophobicContact CG1-CB 4.06Å; L88-C114 PolarHBondContact O-N 3.34Å; L90-C114 PolarHBondContact N-O 2.87Å; C114-V123 CarbonylContact C-O 3.55Å; C114-V123 WeakPolarHBondContact CA-O 3.15Å; C114-Y124 HydrophobicContact CB-CD1 3.76Å; C114-Y124 HydrophobicContact CB-CE1 3.63Å; C114-Y124 WeakPolarHBondContact SG-CE1 3.46Å; C114-Y124 VanDerWaalsContact SG-CZ 3.59Å
115V97.6Very high91.8Very high45 Ų4559.5 Ų59.527%0.27336%0.357SS..EExtended strand (participates in β ladder)trans-84.1124174.8-178.90000108.7L90 V92 L113 V123L90-V115 WeakPolarHBondContact O-CA 3.33Å; V92-V115 HydrophobicContact CG1-CG1 3.59Å; L113-V115 HydrophobicContact CD2-CG2 4.03Å; L113-V115 HydrophobicContact CG-CG2 4.08Å; V115-V123 PolarHBondContact N-O 2.94Å; V115-V123 PolarHBondContact O-N 3.2Å
116V97.9Very high92Very high7 Ų766.3 Ų66.34%0.04238%0.382CS..EExtended strand (participates in β ladder)trans-108109.9-176.4-1720000109.4A44 L47 V48 L90 P91 V92 L122A44-V116 HydrophobicContact CB-CB 3.96Å; A44-V116 HydrophobicContact CB-CG1 4.14Å; A44-V116 HydrophobicContact CB-CG2 3.87Å; L47-V116 HydrophobicContact CD1-CG1 3.92Å; V48-V116 HydrophobicContact CG2-CG2 3.61Å; L90-V116 PolarHBondContact O-N 3.34Å; P91-V116 WeakPolarHBondContact CA-O 3.47Å; V92-V116 WeakPolarHBondContact CG1-O 3.4Å; V92-V116 PolarHBondContact N-O 3.32Å; V116-L122 HydrophobicContact CB-CD2 4.07Å; V116-L122 HydrophobicContact CG1-CD2 3.76Å; V116-L122 HydrophobicContact CG2-CD2 3.68Å
117A96.8Very high92.2Very high29 Ų2964.5 Ų64.524%0.2436%0.363CS..  trans-77160.9177.200000112V92 D119 S120 S121V92-A117 HydrophobicContact CG1-CB 4.15Å; A117-D119 WeakPolarHBondContact CB-OD1 3.34Å; A117-D119 PolarHBondContact O-N 3.03Å; A117-S120 WeakPolarHBondContact O-CA 3.49Å; A117-S120 PolarHBondContact O-N 3.41Å; A117-S121 PolarHBondContact N-O 2.91Å
118S94.4Very high92.5Very high108 Ų10857.5 Ų57.576%0.75534%0.341SS*.THydrogen-bonded Turntrans-65.6-21.9-179.4-54.60000113.5S120S118-S120 PolarHBondContact O-N 3.42Å
119D95.3Very high93Very high116 Ų11659 Ų5962%0.6233%0.334SS*.THydrogen-bonded Turntrans-85.19.5172.867-3.9000112.8A117 S121A117-D119 WeakPolarHBondContact CB-OD1 3.34Å; A117-D119 PolarHBondContact O-N 3.03Å; D119-S121 VanDerWaalsContact C-N 3.25Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.16Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 2.94Å; D119-S121 PolarHBondContact OD1-OG 3.09Å; D119-S121 PolarHBondContact OD2-OG 3.29Å
120S94.1Very high93Very high66 Ų6658 Ų5846%0.46234%0.336SS..  trans69.211.4-176-470000115.4A117 S118A117-S120 WeakPolarHBondContact O-CA 3.49Å; A117-S120 PolarHBondContact O-N 3.41Å; S118-S120 PolarHBondContact O-N 3.42Å
121S96.6Very high92.5Very high59 Ų5964 Ų6441%0.41336%0.364SS..  trans-67138.9170.9-60.80000111.2A117 D119A117-S121 PolarHBondContact N-O 2.91Å; D119-S121 VanDerWaalsContact C-N 3.25Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.16Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 2.94Å; D119-S121 PolarHBondContact OD1-OG 3.09Å; D119-S121 PolarHBondContact OD2-OG 3.29Å
122L98.2Very high91.7Very high42 Ų4268.9 Ų68.922%0.2239%0.39CS..EExtended strand (participates in β ladder)trans-116.4126.2-176.7-58-177.6000111V48 D51 V116 Y124V48-L122 HydrophobicContact CG2-CD2 4.02Å; D51-L122 HydrophobicContact CB-CD1 3.32Å; V116-L122 HydrophobicContact CB-CD2 4.07Å; V116-L122 HydrophobicContact CG1-CD2 3.76Å; V116-L122 HydrophobicContact CG2-CD2 3.68Å; L122-Y124 HydrophobicContact CB-CE2 4.05Å
123V97.4Very high90.8Very high92 Ų9273.6 Ų73.656%0.55842%0.42SS*.EExtended strand (participates in β ladder)trans-120.3120.4176.1179.90000109.9C114 V115C114-V123 CarbonylContact C-O 3.55Å; C114-V123 WeakPolarHBondContact CA-O 3.15Å; V115-V123 PolarHBondContact N-O 2.94Å; V115-V123 PolarHBondContact O-N 3.2Å
124Y96.6Very high89.9Confident48 Ų4877.6 Ų77.619%0.18845%0.448CS..EExtended strand (participates in β ladder)trans-98.6130.2-179-67.3-86.5000111.5V48 D51 L52 R56 V87 L112 L113 C114 L122V48-Y124 HydrophobicContact CG1-CE1 4.24Å; D51-Y124 WeakPolarHBondContact OD2-CE2 3.26Å; D51-Y124 VanDerWaalsContact OD2-CZ 3.23Å; D51-Y124 PolarHBondContact OD2-OH 3.38Å; L52-Y124 HydrophobicContact CD2-CE1 4.11Å; R56-Y124 VanDerWaalsContact NH2-CD2 3.29Å; V87-Y124 HydrophobicContact CG1-CE1 4.36Å; L112-Y124 HydrophobicContact CD2-CD1 3.43Å; L112-Y124 VanDerWaalsContact CD2-CD1 3.43Å; L112-Y124 HydrophobicContact CD2-CE1 4.05Å; L112-Y124 HydrophobicContact CD2-CG 4.26Å; L112-Y124 HydrophobicContact CG-CD1 3.82Å; L113-Y124 CarbonylContact O-C 3.58Å; L113-Y124 WeakPolarHBondContact O-CA 3.44Å; C114-Y124 HydrophobicContact CB-CD1 3.76Å; C114-Y124 HydrophobicContact CB-CE1 3.63Å; C114-Y124 WeakPolarHBondContact SG-CE1 3.46Å; C114-Y124 VanDerWaalsContact SG-CZ 3.59Å; L122-Y124 HydrophobicContact CB-CE2 4.05Å
125Q93.7Very high88.9Confident125 Ų12584.8 Ų84.858%0.58449%0.486SS*.EExtended strand (participates in β ladder)trans-137.3129.6176.8-178.3173.9-11.400110.4L113L113-Q125 WeakPolarHBondContact CB-O 3.33Å; L113-Q125 PolarHBondContact N-O 3.09Å; L113-Q125 PolarHBondContact O-N 2.97Å
126R91.8Very high87.9Confident154 Ų15487.8 Ų87.858%0.58151%0.507SS*.EExtended strand (participates in β ladder)trans-75.9129.9176.1-166.8172.4-175.3154.62.8110.5
127M90.3Very high87.1Confident26 Ų2691.8 Ų91.813%0.12853%0.532CS..EExtended strand (participates in β ladder)trans-111.1138.8172.7-58.3-168.9-67.800109.9L88 V101 L105 M111 L113L88-M127 HydrophobicContact CB-CE 4.5Å; L88-M127 HydrophobicContact CD2-CE 3.8Å; V101-M127 HydrophobicContact CG1-CE 4.19Å; V101-M127 HydrophobicContact CG1-SD 3.79Å; L105-M127 HydrophobicContact CD1-CB 4.08Å; L105-M127 HydrophobicContact CD2-CB 3.99Å; M111-M127 HydrophobicContact CB-CE 4.3Å; M111-M127 HydrophobicContact CG-CE 3.92Å; M111-M127 PolarHBondContact N-O 3.03Å; M111-M127 PolarHBondContact O-N 3.22Å; M111-M127 HydrophobicContact SD-CE 3.8Å; L113-M127 HydrophobicContact CB-CE 3.84Å; L113-M127 HydrophobicContact CB-CG 3.91Å; L113-M127 HydrophobicContact CB-SD 3.88Å; L113-M127 HydrophobicContact CD1-CE 4.37Å; L113-M127 HydrophobicContact CD2-SD 4.16Å; L113-M127 HydrophobicContact CG-SD 4.45Å
128C86.5Confident86.1Confident33 Ų3397.8 Ų97.822%0.22357%0.566CS.*  trans-140.1152.5178.3-69.40000109.8G130 L132C128-G130 PolarHBondContact O-N 3.1Å; C128-L132 HydrophobicContact CB-CD1 4.06Å; C128-L132 HydrophobicContact CB-CD2 4.35Å; C128-L132 HydrophobicContact CB-CG 3.99Å; C128-L132 VanDerWaalsContact SG-CD1 3.53Å
129D84.1Confident84.8Confident94 Ų9496.1 Ų96.150%0.50357%0.565SS.*SBendtrans-81104.1170.1-166.713.7000109L105L105-D129 HydrophobicContact CB-CB 4.12Å
130G79.9Confident83.1Confident58 Ų5896.8 Ų96.860%0.59857%0.568SS**SBendtrans103.2-158.5179.200000114.7C128C128-G130 PolarHBondContact O-N 3.1Å
131L73.9Confident81.4Confident180 Ų180101.1 Ų101.194%0.94258%0.581SS**PPolyproline II helixtrans-90.9128.2-175.1-61.5175.7000110.5
132L73.2Confident79.6Confident111 Ų111104.1 Ų104.158%0.58159%0.592SS**PPolyproline II helixtrans-92.5130165.4-76.2172.7000109.2C128C128-L132 HydrophobicContact CB-CD1 4.06Å; C128-L132 HydrophobicContact CB-CD2 4.35Å; C128-L132 HydrophobicContact CB-CG 3.99Å; C128-L132 VanDerWaalsContact SG-CD1 3.53Å
133T75.4Confident77.4Confident130 Ų130110.3 Ų110.380%0.79862%0.62SS**PPolyproline II helixtrans-66.5124.3167.4-51.30000107.9
134P77.1Confident75.3Confident107 Ų107108.5 Ų108.570%0.69562%0.62SS**PPolyproline II helixtrans-63.5150.1176.727.7-34.2000109.8
135D76.2Confident73.2Confident150 Ų150116.8 Ų116.880%0.80265%0.65SS**PPolyproline II helixtrans-55.7137.4170.8-68.9-43.1000109.3
136P77.6Confident71.4Confident109 Ų109121.2 Ų121.271%0.70866%0.662SS**PPolyproline II helixtrans-59.1136.5179.623.1-31.3000109.3V138P136-V138 PolarHBondContact O-N 2.76Å
137P80.4Confident69.6Low90 Ų90122.4 Ų122.458%0.58467%0.674SS**PPolyproline II helixtrans-59128179.622.8-33.1000110.3G139 I140P137-G139 PolarHBondContact O-N 3.12Å; P137-G139 VanDerWaalsContact O-N 3.14Å; P137-I140 HydrophobicContact CB-CD1 4.25Å; P137-I140 HydrophobicContact CB-CG1 4.3Å; P137-I140 HydrophobicContact CG-CD1 3.31Å; P137-I140 HydrophobicContact CG-CG1 3.78Å
138V75.2Confident67.6Low156 Ų156130.3 Ų130.395%0.94571%0.71SS**THydrogen-bonded Turntrans-67.3112.8176.9-168.90000108.1P136P136-V138 PolarHBondContact O-N 2.76Å
139G68.2Low66.2Low72 Ų72139.7 Ų139.774%0.74274%0.741SS**THydrogen-bonded Turntrans107.214.917000000117.4P137 Q141P137-G139 PolarHBondContact O-N 3.12Å; P137-G139 VanDerWaalsContact O-N 3.14Å; G139-Q141 PolarHBondContact O-N 3.34Å
140I59.1Low64.7Low130 Ų130144.1 Ų144.167%0.66776%0.756SS**  trans-72.986.9160.9-55.4-176.5000107.9P137 D142P137-I140 HydrophobicContact CB-CD1 4.25Å; P137-I140 HydrophobicContact CB-CG1 4.3Å; P137-I140 HydrophobicContact CG-CD1 3.31Å; P137-I140 HydrophobicContact CG-CG1 3.78Å; I140-D142 PolarHBondContact O-N 3.18Å; I140-D142 VanDerWaalsContact O-N 3.12Å
141Q58.1Low63.4Low158 Ų158150.8 Ų150.874%0.73876%0.763SS**  trans-61.6109.7150.9-81.3179.58.900105.7G139 Q143G139-Q141 PolarHBondContact O-N 3.34Å; Q141-Q143 HydrophobicContact CB-CG 4.45Å; Q141-Q143 PolarHBondContact O-N 2.86Å
142D58.5Low62.1Low121 Ų121154.5 Ų154.565%0.64776%0.764SS**  trans-60.684.8168.4-166.56.1000107I140 G144I140-D142 PolarHBondContact O-N 3.18Å; I140-D142 VanDerWaalsContact O-N 3.12Å; D142-G144 PolarHBondContact O-N 2.79Å
143Q52.5Low61Low173 Ų173155.3 Ų155.381%0.80877%0.765SS**  trans-71.379.9178-78.5-162.9200108Q141Q141-Q143 HydrophobicContact CB-CG 4.45Å; Q141-Q143 PolarHBondContact O-N 2.86Å
144G53Low59.4Low53 Ų53157.1 Ų157.155%0.54677%0.765SS.*  trans66.786.1165.200000113.3D142 R146D142-G144 PolarHBondContact O-N 2.79Å; G144-R146 PolarHBondContact O-N 2.94Å
145R52.4Low57.7Low222 Ų222164.8 Ų164.884%0.83879%0.791SS**  trans-54.891130.9-96-176.1173-175.80.1107.6Q147R145-Q147 PolarHBondContact O-N 2.84Å; R145-Q147 VanDerWaalsContact O-N 3.09Å
146R56.8Low56.8Low218 Ų218165.6 Ų165.682%0.82379%0.79SS**  trans-39.1118.7173.7-75.7175.1172.2178.1-2.6107.9G144 H148G144-R146 PolarHBondContact O-N 2.94Å; R146-H148 PolarHBondContact O-N 3.24Å
147Q53.3Low55.7Low179 Ų179168.5 Ų168.584%0.83680%0.795SS**  trans-50.885.6164-67.7175.8-15.600109R145 R149R145-Q147 PolarHBondContact O-N 2.84Å; R145-Q147 VanDerWaalsContact O-N 3.09Å; Q147-R149 PolarHBondContact O-N 3.14Å
148H49Very low54.3Low193 Ų193172.9 Ų172.989%0.89481%0.806SS**  trans-78.951163.4-116.4-96.3000108.8R146R146-H148 PolarHBondContact O-N 3.24Å
149R56.4Low53.1Low229 Ų229173.9 Ų173.986%0.86480%0.798SS**  trans-117.470.2165.8-169-179.2178.8175-0.4107.6Q147Q147-R149 PolarHBondContact O-N 3.14Å
150K52Low52.1Low187 Ų187180.3 Ų180.381%0.81380%0.801SS**  trans-139.6112.2158.7-75.8-165.7177.8174.40111.8
151R52.6Low51.7Low199 Ų199183.6 Ų183.675%0.75181%0.81SS**  trans72.3103.6139.6-70.4179.4154-176.6-7.9117.7
152R47.4Very low51.2Low257 Ų257185.4 Ų185.497%0.9782%0.816SS**  -123.1102.3115.7-78.4-170.9159-166-6.4109.4
153Q49.4Very low50.6Low128 Ų128190.4 Ų190.460%0.59883%0.829SS**  trans-77144156.4-91.5177.5-1100107.6
154Q43.1Very low50.5Low169 Ų169191.8 Ų191.879%0.7983%0.83SS**  trans64.2104.5146.6-63.21707.700117.6
155H40.3Very low50.3Low268 Ų268204.5 Ų204.5100%1.24186%0.856SS**  -155.1098.5-124.6-178.5000110

Retrieved 155 of 155 residues in 87.4 ms (Link to these results)