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Purine nucleoside phosphorylase

The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A077ZDD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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
1M57.9Low89.2Confident150 Ų15069.6 Ų69.674%0.73935%0.35SS*.  0139.60-70.1-167.2-90.700107.2Q5 D6M1-Q5 HydrophobicContact CB-CB 4.06Å; M1-Q5 HydrophobicContact CB-CG 4.12Å; M1-Q5 HydrophobicContact CG-CG 4.02Å; M1-Q5 VanDerWaalsContact CG-OE1 3.23Å; M1-Q5 HydrophobicContact SD-CG 3.98Å; M1-D6 WeakPolarHBondContact CB-OD1 3.32Å; M1-D6 VanDerWaalsContact CE-OD1 3.3Å; M1-D6 WeakPolarHBondContact CE-OD1 3.43Å
2T73.8Confident89.9Confident62 Ų6263.8 Ų63.838%0.3832%0.32SS..  trans-66.5158.2168.8520000109.4L4 Q5 D6 D147T2-L4 PolarHBondContact O-N 2.98Å; T2-L4 VanDerWaalsContact O-N 3.12Å; T2-Q5 PolarHBondContact O-N 3.12Å; T2-Q5 WeakPolarHBondContact OG1-CB 3.04Å; T2-Q5 PolarHBondContact OG1-N 3.04Å; T2-D6 PolarHBondContact O-N 3.08Å; T2-D6 VanDerWaalsContact O-N 3.08Å; T2-D147 HydrophobicContact CG2-CB 4.25Å; T2-D147 VanDerWaalsContact CG2-OD2 3.31Å; T2-D147 WeakPolarHBondContact CG2-OD2 3.3Å; T2-D147 PolarHBondContact OG1-OD2 3.36Å
3D88.2Confident90.5Very high112 Ų11262.1 Ų62.160%0.59932%0.318SS*.Hα-helixtrans-52.2-34.5175.3176.156.6000111.9K7D3-K7 WeakPolarHBondContact O-CG 3.32Å; D3-K7 PolarHBondContact O-N 3.08Å; D3-K7 WeakPolarHBondContact OD1-CE 3.38Å; D3-K7 IonicContact OD1-NZ 2.71Å; D3-K7 VanDerWaalsContact OD2-CE 3.32Å; D3-K7 WeakPolarHBondContact OD2-CE 3.31Å; D3-K7 IonicContact OD2-NZ 2.97Å; D3-K7 PolarHBondContact OD2-NZ 2.91Å
4L91.7Very high91.1Very high67 Ų6761.1 Ų61.135%0.35131%0.309SS..Hα-helixtrans-66.9-45.817517959.8000112.6T2 D6 K7 I8 Y96 M150T2-L4 PolarHBondContact O-N 2.98Å; T2-L4 VanDerWaalsContact O-N 3.12Å; L4-D6 VanDerWaalsContact C-N 3.32Å; L4-D6 PolarHBondContact O-N 2.84Å; L4-K7 PolarHBondContact O-N 3.22Å; L4-I8 HydrophobicContact CD1-CD1 4Å; L4-I8 HydrophobicContact CD1-CG1 4.28Å; L4-I8 HydrophobicContact CD2-CD1 4.5Å; L4-I8 HydrophobicContact CG-CD1 3.78Å; L4-I8 WeakPolarHBondContact O-CD1 3.28Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.36Å; L4-I8 PolarHBondContact O-N 3.37Å; L4-Y96 HydrophobicContact CD1-CD2 4.13Å; L4-Y96 HydrophobicContact CD1-CE2 4.01Å; L4-M150 HydrophobicContact CD2-CE 4.19Å; L4-M150 HydrophobicContact CD2-SD 4.39Å
5Q91.6Very high91.5Very high43 Ų4357.1 Ų57.120%0.20129%0.288CS..Hα-helixtrans-64.4-38.4-179.6-173.2-18022.500111.7M1 T2 I8 Q9 D147M1-Q5 HydrophobicContact CB-CB 4.06Å; M1-Q5 HydrophobicContact CB-CG 4.12Å; M1-Q5 HydrophobicContact CG-CG 4.02Å; M1-Q5 VanDerWaalsContact CG-OE1 3.23Å; M1-Q5 HydrophobicContact SD-CG 3.98Å; T2-Q5 PolarHBondContact O-N 3.12Å; T2-Q5 WeakPolarHBondContact OG1-CB 3.04Å; T2-Q5 PolarHBondContact OG1-N 3.04Å; Q5-I8 PolarHBondContact O-N 2.94Å; Q5-Q9 WeakPolarHBondContact O-CB 3.37Å; Q5-Q9 PolarHBondContact O-N 3.04Å; Q5-D147 PolarHBondContact OE1-OD2 3.35Å
6D93.5Very high91.9Very high61 Ų6158.8 Ų58.833%0.32630%0.295SS..Hα-helixtrans-62.9-43.2175.1-74.1-27000111.6M1 T2 L4 Q9 Q10M1-D6 WeakPolarHBondContact CB-OD1 3.32Å; M1-D6 VanDerWaalsContact CE-OD1 3.3Å; M1-D6 WeakPolarHBondContact CE-OD1 3.43Å; T2-D6 PolarHBondContact O-N 3.08Å; T2-D6 VanDerWaalsContact O-N 3.08Å; L4-D6 VanDerWaalsContact C-N 3.32Å; L4-D6 PolarHBondContact O-N 2.84Å; D6-Q9 PolarHBondContact O-N 2.92Å; D6-Q10 VanDerWaalsContact O-CG 3.28Å; D6-Q10 WeakPolarHBondContact O-CG 3.49Å; D6-Q10 PolarHBondContact O-N 2.71Å
7K96.2Very high92.3Very high68 Ų6864.6 Ų64.630%0.29632%0.321SS..Hα-helixtrans-61.5-47.4174.7-70.9172.6-173164.70111.7D3 L4 Q9 Q10 T11 H53 Y96D3-K7 WeakPolarHBondContact O-CG 3.32Å; D3-K7 PolarHBondContact O-N 3.08Å; D3-K7 WeakPolarHBondContact OD1-CE 3.38Å; D3-K7 IonicContact OD1-NZ 2.71Å; D3-K7 VanDerWaalsContact OD2-CE 3.32Å; D3-K7 WeakPolarHBondContact OD2-CE 3.31Å; D3-K7 IonicContact OD2-NZ 2.97Å; D3-K7 PolarHBondContact OD2-NZ 2.91Å; L4-K7 PolarHBondContact O-N 3.22Å; K7-Q9 VanDerWaalsContact C-N 3.3Å; K7-Q9 PolarHBondContact O-N 3.24Å; K7-Q10 PolarHBondContact O-N 3.37Å; K7-T11 PolarHBondContact O-N 3.4Å; K7-T11 PolarHBondContact O-OG1 2.95Å; K7-T11 VanDerWaalsContact O-OG1 3.04Å; K7-H53 HydrophobicContact CB-CB 4.34Å; K7-Y96 HydrophobicContact CB-CE2 4.45Å; K7-Y96 PolarHBondContact O-OH 3.26Å
8I97Very high92.6Very high10 Ų1065.9 Ų65.95%0.05132%0.324CS..Hα-helixtrans-57.4-45.3178.4-70.8161.2000110.5L4 Q5 T11 A12 Y96 R99 A103 M150L4-I8 HydrophobicContact CD1-CD1 4Å; L4-I8 HydrophobicContact CD1-CG1 4.28Å; L4-I8 HydrophobicContact CD2-CD1 4.5Å; L4-I8 HydrophobicContact CG-CD1 3.78Å; L4-I8 WeakPolarHBondContact O-CD1 3.28Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.36Å; L4-I8 PolarHBondContact O-N 3.37Å; Q5-I8 PolarHBondContact O-N 2.94Å; I8-T11 PolarHBondContact O-N 3.49Å; I8-A12 WeakPolarHBondContact O-CB 3.49Å; I8-A12 PolarHBondContact O-N 3.38Å; I8-Y96 WeakPolarHBondContact CA-OH 3.32Å; I8-Y96 HydrophobicContact CG1-CD2 4.42Å; I8-Y96 HydrophobicContact CG1-CE2 3.73Å; I8-Y96 PolarHBondContact N-OH 3.04Å; I8-R99 HydrophobicContact CD1-CB 3.66Å; I8-R99 HydrophobicContact CD1-CG 4.26Å; I8-R99 HydrophobicContact CG1-CB 4.13Å; I8-A103 HydrophobicContact CG2-CB 3.43Å; I8-A103 VanDerWaalsContact CG2-CB 3.43Å; I8-M150 HydrophobicContact CD1-CE 3.44Å; I8-M150 VanDerWaalsContact CD1-CE 3.44Å; I8-M150 HydrophobicContact CD1-SD 4.34Å
9Q96.4Very high92.8Very high86 Ų8664.5 Ų64.540%0.40233%0.328SS..Hα-helixtrans-67.2-40.2-179.5-17257.458.700112.1Q5 D6 K7 A12 S13Q5-Q9 WeakPolarHBondContact O-CB 3.37Å; Q5-Q9 PolarHBondContact O-N 3.04Å; D6-Q9 PolarHBondContact O-N 2.92Å; K7-Q9 VanDerWaalsContact C-N 3.3Å; K7-Q9 PolarHBondContact O-N 3.24Å; Q9-A12 PolarHBondContact O-N 3.28Å; Q9-S13 PolarHBondContact NE2-OG 3.39Å; Q9-S13 WeakPolarHBondContact O-CB 3.29Å; Q9-S13 PolarHBondContact O-N 3.11Å; Q9-S13 PolarHBondContact O-OG 3Å; Q9-S13 VanDerWaalsContact O-OG 3.11Å
10Q97.2Very high93Very high107 Ų10761.3 Ų61.350%0.531%0.312SS..Hα-helixtrans-60.8-44.9173.8-72170.222.700111.6D6 K7 Y14 H53D6-Q10 VanDerWaalsContact O-CG 3.28Å; D6-Q10 WeakPolarHBondContact O-CG 3.49Å; D6-Q10 PolarHBondContact O-N 2.71Å; K7-Q10 PolarHBondContact O-N 3.37Å; Q10-Y14 PolarHBondContact O-N 2.89Å; Q10-H53 PolarHBondContact OE1-NE2 3.04Å
11T97.9Very high93.1Very high0 Ų061.8 Ų61.80%032%0.318CS..Hα-helixtrans-61.6-47.9175.7-58.60000111.6K7 I8 S13 Y14 I15 I51 P52 F54 Y96 V100K7-T11 PolarHBondContact O-N 3.4Å; K7-T11 PolarHBondContact O-OG1 2.95Å; K7-T11 VanDerWaalsContact O-OG1 3.04Å; I8-T11 PolarHBondContact O-N 3.49Å; T11-S13 PolarHBondContact O-N 3.25Å; T11-Y14 PolarHBondContact O-N 3.46Å; T11-I15 HydrophobicContact CG2-CD1 3.88Å; T11-I15 WeakPolarHBondContact O-CG1 3.49Å; T11-I15 PolarHBondContact O-N 3.09Å; T11-I51 HydrophobicContact CG2-CG2 3.49Å; T11-I51 VanDerWaalsContact CG2-CG2 3.49Å; T11-P52 PolarHBondContact OG1-O 3.15Å; T11-F54 HydrophobicContact CG2-CD2 3.94Å; T11-F54 HydrophobicContact CG2-CE2 4.32Å; T11-Y96 HydrophobicContact CG2-CE1 4.17Å; T11-Y96 PolarHBondContact OG1-OH 2.9Å; T11-V100 HydrophobicContact CG2-CB 4.37Å; T11-V100 HydrophobicContact CG2-CG1 3.75Å; T11-V100 HydrophobicContact CG2-CG2 3.64Å
12A97.7Very high94.8Very high0 Ų061.1 Ų61.10%032%0.318CS..Hα-helixtrans-61.7-44.2-18000000111.5I8 Q9 Y14 I15 Q16 A103 L104I8-A12 WeakPolarHBondContact O-CB 3.49Å; I8-A12 PolarHBondContact O-N 3.38Å; Q9-A12 PolarHBondContact O-N 3.28Å; A12-Y14 PolarHBondContact O-N 2.91Å; A12-I15 PolarHBondContact O-N 3.23Å; A12-Q16 WeakPolarHBondContact O-CG 3.46Å; A12-Q16 PolarHBondContact O-N 3.05Å; A12-A103 HydrophobicContact CB-CB 4.12Å; A12-L104 HydrophobicContact CB-CD2 3.98Å; A12-L104 HydrophobicContact CB-CG 4.24Å; A12-L104 WeakPolarHBondContact O-CD2 3.04Å
13S97.6Very high95.9Very high41 Ų4158.5 Ų58.529%0.28730%0.302SS..Hα-helixtrans-62-43.1176.3-67.70000112.3Q9 T11 I15 Q16 E17Q9-S13 PolarHBondContact NE2-OG 3.39Å; Q9-S13 WeakPolarHBondContact O-CB 3.29Å; Q9-S13 PolarHBondContact O-N 3.11Å; Q9-S13 PolarHBondContact O-OG 3Å; Q9-S13 VanDerWaalsContact O-OG 3.11Å; T11-S13 PolarHBondContact O-N 3.25Å; S13-I15 VanDerWaalsContact C-N 3.33Å; S13-I15 PolarHBondContact O-N 3.01Å; S13-Q16 PolarHBondContact O-N 3.24Å; S13-E17 WeakPolarHBondContact O-CG 3.38Å; S13-E17 PolarHBondContact O-N 2.89Å
14Y98.3Very high96.3Very high49 Ų4954.1 Ų54.119%0.19228%0.281CS..Hα-helixtrans-59.3-43.3174.3177.5-98.1000112.3Q10 T11 A12 E17 K18 I46 E50 I51 P52Q10-Y14 PolarHBondContact O-N 2.89Å; T11-Y14 PolarHBondContact O-N 3.46Å; A12-Y14 PolarHBondContact O-N 2.91Å; Y14-E17 PolarHBondContact O-N 3.09Å; Y14-K18 HydrophobicContact CE1-CG 4.36Å; Y14-K18 WeakPolarHBondContact O-CG 3.48Å; Y14-K18 PolarHBondContact O-N 3.39Å; Y14-K18 WeakPolarHBondContact OH-CE 3.37Å; Y14-K18 PolarHBondContact OH-NZ 2.71Å; Y14-K18 VanDerWaalsContact OH-NZ 3.09Å; Y14-I46 HydrophobicContact CE1-CG2 4.14Å; Y14-E50 VanDerWaalsContact CE1-O 3.22Å; Y14-E50 WeakPolarHBondContact CE1-O 3.28Å; Y14-E50 PolarHBondContact OH-O 2.81Å; Y14-E50 VanDerWaalsContact OH-O 3.06Å; Y14-I51 HydrophobicContact CD1-CG2 4.42Å; Y14-I51 HydrophobicContact CE1-CG1 4.22Å; Y14-P52 HydrophobicContact CD1-CG 4.31Å; Y14-P52 HydrophobicContact CD2-CG 4.19Å; Y14-P52 VanDerWaalsContact CG-CD 3.44Å; Y14-P52 HydrophobicContact CG-CG 3.89Å
15I98.1Very high96.5Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-64.7-40.7178.1-70.3166.7000110.8T11 A12 S13 K18 V20 I46 I51 L66 V100 L104T11-I15 HydrophobicContact CG2-CD1 3.88Å; T11-I15 WeakPolarHBondContact O-CG1 3.49Å; T11-I15 PolarHBondContact O-N 3.09Å; A12-I15 PolarHBondContact O-N 3.23Å; S13-I15 VanDerWaalsContact C-N 3.33Å; S13-I15 PolarHBondContact O-N 3.01Å; I15-K18 WeakPolarHBondContact O-CB 3.34Å; I15-K18 PolarHBondContact O-N 3.06Å; I15-V20 HydrophobicContact CG2-CB 3.53Å; I15-V20 HydrophobicContact CG2-CG1 3.72Å; I15-V20 HydrophobicContact CG2-CG2 3.7Å; I15-V20 WeakPolarHBondContact O-CB 3.45Å; I15-V20 PolarHBondContact O-N 3.4Å; I15-I46 HydrophobicContact CG2-CD1 4.38Å; I15-I51 HydrophobicContact CD1-CG2 4.21Å; I15-I51 HydrophobicContact CG1-CG2 4.31Å; I15-L66 HydrophobicContact CD1-CD1 3.73Å; I15-L66 HydrophobicContact CG1-CD1 4.34Å; I15-V100 HydrophobicContact CD1-CG1 3.54Å; I15-L104 HydrophobicContact CB-CD1 4.39Å; I15-L104 HydrophobicContact CB-CD2 4.31Å; I15-L104 HydrophobicContact CD1-CD1 4.26Å; I15-L104 HydrophobicContact CG2-CD1 3.74Å; I15-L104 HydrophobicContact CG2-CD2 4.08Å
16Q97.9Very high96.9Very high84 Ų8448.9 Ų48.939%0.39325%0.254SS..Hα-helixtrans-63.2-40174.8-72.5173.4-34.200112.6A12 S13 K18 G19 V20 L104A12-Q16 WeakPolarHBondContact O-CG 3.46Å; A12-Q16 PolarHBondContact O-N 3.05Å; S13-Q16 PolarHBondContact O-N 3.24Å; Q16-K18 PolarHBondContact O-N 3.36Å; Q16-G19 PolarHBondContact O-N 3Å; Q16-V20 WeakPolarHBondContact CA-O 3.48Å; Q16-L104 HydrophobicContact CG-CD2 3.66Å
17E97.7Very high97.1Very high159 Ų15946.1 Ų46.174%0.74324%0.24SC*.Hα-helixtrans-61.9-25.1175.6-74.4173.9-175.600113S13 Y14 G19S13-E17 WeakPolarHBondContact O-CG 3.38Å; S13-E17 PolarHBondContact O-N 2.89Å; Y14-E17 PolarHBondContact O-N 3.09Å; E17-G19 PolarHBondContact O-N 2.63Å
18K97.5Very high97.2Very high87 Ų8742.9 Ų42.938%0.37823%0.226SC..THydrogen-bonded Turntrans-78.9-1.1172.9-62.2-69.9-179.4161.20113.6Y14 I15 Q16 V44 I46Y14-K18 HydrophobicContact CE1-CG 4.36Å; Y14-K18 WeakPolarHBondContact O-CG 3.48Å; Y14-K18 PolarHBondContact O-N 3.39Å; Y14-K18 WeakPolarHBondContact OH-CE 3.37Å; Y14-K18 PolarHBondContact OH-NZ 2.71Å; Y14-K18 VanDerWaalsContact OH-NZ 3.09Å; I15-K18 WeakPolarHBondContact O-CB 3.34Å; I15-K18 PolarHBondContact O-N 3.06Å; Q16-K18 PolarHBondContact O-N 3.36Å; K18-V44 HydrophobicContact CB-CG1 4.33Å; K18-V44 WeakPolarHBondContact O-CG1 3.48Å; K18-I46 HydrophobicContact CB-CD1 3.62Å; K18-I46 HydrophobicContact CB-CG1 4.23Å; K18-I46 HydrophobicContact CG-CD1 3.89Å; K18-I46 HydrophobicContact CG-CG1 4.33Å
19G96.4Very high97.1Very high39 Ų3942.5 Ų42.540%0.40222%0.224SC..THydrogen-bonded Turntrans98.211.5177.800000114.8Q16 E17 V21Q16-G19 PolarHBondContact O-N 3Å; E17-G19 PolarHBondContact O-N 2.63Å; G19-V21 PolarHBondContact O-N 3.32Å
20V97.5Very high96.6Very high1 Ų138.6 Ų38.61%0.00621%0.206CC..  trans-83.5106.1176-179.70000109.6I15 Q16 V23 V44 I46 Y68 L77I15-V20 HydrophobicContact CG2-CB 3.53Å; I15-V20 HydrophobicContact CG2-CG1 3.72Å; I15-V20 HydrophobicContact CG2-CG2 3.7Å; I15-V20 WeakPolarHBondContact O-CB 3.45Å; I15-V20 PolarHBondContact O-N 3.4Å; Q16-V20 WeakPolarHBondContact CA-O 3.48Å; V20-V23 HydrophobicContact CG1-CG2 3.48Å; V20-V23 VanDerWaalsContact CG1-CG2 3.48Å; V20-V44 HydrophobicContact CG2-CG1 4.43Å; V20-I46 HydrophobicContact CG2-CD1 4.02Å; V20-Y68 HydrophobicContact CB-CD1 4.26Å; V20-Y68 HydrophobicContact CB-CD2 4.43Å; V20-Y68 HydrophobicContact CB-CG 4.12Å; V20-Y68 HydrophobicContact CG1-CD1 4.4Å; V20-Y68 HydrophobicContact CG1-CD2 3.7Å; V20-Y68 HydrophobicContact CG1-CE2 4.18Å; V20-Y68 HydrophobicContact CG1-CG 3.84Å; V20-Y68 HydrophobicContact CG2-CD1 3.89Å; V20-Y68 HydrophobicContact CG2-CD2 4.47Å; V20-Y68 HydrophobicContact CG2-CG 3.74Å; V20-L77 HydrophobicContact CG1-CD1 4.35Å
21V94.7Very high95.8Very high72 Ų7234.9 Ų34.944%0.43619%0.192SC..  trans-137.5158-177.3-64.90000110.1G19 V23 Y68G19-V21 PolarHBondContact O-N 3.32Å; V21-V23 VanDerWaalsContact C-N 3.27Å; V21-V23 PolarHBondContact O-N 2.93Å; V21-V23 VanDerWaalsContact O-N 3.15Å; V21-Y68 PolarHBondContact O-OH 3.4Å
22D94.9Very high94.9Very high136 Ų13636.6 Ų36.673%0.72721%0.21SC*.SBendtrans49.243.9174.9-56.3-35.4000114.1A24 N75D22-A24 PolarHBondContact O-N 3.23Å; D22-N75 VanDerWaalsContact O-CB 3.25Å; D22-N75 WeakPolarHBondContact O-CB 3.21Å; D22-N75 PolarHBondContact O-ND2 3.1Å; D22-N75 VanDerWaalsContact O-ND2 3.09Å
23V96.7Very high94.2Very high7 Ų736.8 Ų36.84%0.04221%0.211CC..  trans-70.5118.6-179.4-173.20000109.3V20 V21 Y68 L77 I106V20-V23 HydrophobicContact CG1-CG2 3.48Å; V20-V23 VanDerWaalsContact CG1-CG2 3.48Å; V21-V23 VanDerWaalsContact C-N 3.27Å; V21-V23 PolarHBondContact O-N 2.93Å; V21-V23 VanDerWaalsContact O-N 3.15Å; V23-Y68 HydrophobicContact CG2-CD2 4.07Å; V23-Y68 HydrophobicContact CG2-CE2 3.9Å; V23-L77 HydrophobicContact CG1-CB 3.58Å; V23-L77 HydrophobicContact CG2-CB 4.42Å; V23-I106 HydrophobicContact CB-CG2 3.76Å; V23-I106 HydrophobicContact CG1-CG2 3.47Å; V23-I106 VanDerWaalsContact CG1-CG2 3.47Å
24A95.3Very high93.8Very high19 Ų1935.6 Ų35.616%0.15721%0.205CC..  trans-81-50.7177.600000111.1D22 N75 H107D22-A24 PolarHBondContact O-N 3.23Å; A24-N75 WeakPolarHBondContact CB-O 3.29Å; A24-N75 PolarHBondContact N-O 3.41Å; A24-H107 PolarHBondContact O-CE1 3.29Å; A24-H107 PolarHBondContact O-ND1 3.03Å; A24-H107 VanDerWaalsContact O-ND1 3.08Å; A24-H107 PolarHBondContact O-NE2 3.49Å
25F97.8Very high93.4Very high1 Ų136.1 Ų36.10%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-126.3134.8-175.3-66-95.9000112.1L27 K74 N75 V76 L77 H107 S108 V110 L269 L272F25-L27 HydrophobicContact CB-CD2 4.36Å; F25-K74 HydrophobicContact CD2-CB 4.33Å; F25-K74 HydrophobicContact CE2-CD 4.33Å; F25-K74 HydrophobicContact CE2-CG 4.33Å; F25-N75 PolarHBondContact N-O 3.32Å; F25-V76 HydrophobicContact CB-CG1 4.27Å; F25-V76 CarbonylContact O-C 3.59Å; F25-V76 WeakPolarHBondContact O-CA 3.47Å; F25-L77 PolarHBondContact O-N 3.42Å; F25-H107 AromaticContact CE2-NE2 3.82Å; F25-H107 AromaticContact CZ-NE2 3.67Å; F25-S108 WeakPolarHBondContact CA-O 3.46Å; F25-S108 VanDerWaalsContact CE1-CB 3.47Å; F25-V110 HydrophobicContact CD1-CG2 4.44Å; F25-L269 HydrophobicContact CB-CD2 4.24Å; F25-L269 HydrophobicContact CD1-CD2 3.98Å; F25-L269 HydrophobicContact CD2-CD2 3.96Å; F25-L269 HydrophobicContact CE1-CD2 4.35Å; F25-L269 HydrophobicContact CE2-CD2 4.33Å; F25-L269 HydrophobicContact CG-CD2 3.79Å; F25-L272 HydrophobicContact CE1-CB 4.08Å; F25-L272 HydrophobicContact CE1-CD1 4.13Å; F25-L272 HydrophobicContact CZ-CB 3.63Å
26G98.3Very high93.3Very high0 Ų036.2 Ų36.20%021%0.21CC..EExtended strand (participates in β ladder)trans-83.213715900000110.3L77 S108 V109 V110G26-L77 WeakPolarHBondContact CA-O 3.36Å; G26-S108 PolarHBondContact N-O 2.62Å; G26-V109 CarbonylContact O-C 3.53Å; G26-V109 VanDerWaalsContact O-CA 3.3Å; G26-V109 WeakPolarHBondContact O-CA 3.38Å; G26-V110 PolarHBondContact O-N 3.41Å
27L98.2Very high93.2Very high3 Ų332.4 Ų32.42%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-119.1126.3173.4-50177.6000109F25 L29 L71 V76 L77 A78 M79 V110 L269F25-L27 HydrophobicContact CB-CD2 4.36Å; L27-L29 HydrophobicContact CB-CD2 4.3Å; L27-L71 HydrophobicContact CD1-CD2 3.91Å; L27-V76 HydrophobicContact CD1-CB 4.01Å; L27-V76 HydrophobicContact CD1-CG1 4.28Å; L27-V76 HydrophobicContact CD1-CG2 4.14Å; L27-V76 HydrophobicContact CG-CB 4.3Å; L27-L77 PolarHBondContact N-O 2.92Å; L27-A78 HydrophobicContact CB-CB 4.04Å; L27-A78 HydrophobicContact CD1-CB 4.32Å; L27-A78 CarbonylContact O-C 3.58Å; L27-A78 WeakPolarHBondContact O-CA 3.39Å; L27-M79 PolarHBondContact O-N 3.09Å; L27-V110 WeakPolarHBondContact CA-O 3.45Å; L27-V110 HydrophobicContact CD2-CB 3.66Å; L27-V110 HydrophobicContact CD2-CG2 3.75Å; L27-L269 HydrophobicContact CD2-CD2 4.43Å
28I97.6Very high93Very high0 Ų031.8 Ų31.80%019%0.19CC..EExtended strand (participates in β ladder)trans-106.9104.1173.3-52.1-173.2000108.3M79 R82 V98 V109 V110 V111 T112 E217I28-M79 HydrophobicContact CD1-SD 4.2Å; I28-M79 HydrophobicContact CG1-SD 3.93Å; I28-M79 HydrophobicContact CG2-SD 4.42Å; I28-R82 HydrophobicContact CG2-CB 4.09Å; I28-V98 HydrophobicContact CD1-CG2 3.95Å; I28-V109 HydrophobicContact CD1-CG2 4.14Å; I28-V109 HydrophobicContact CG1-CG2 4.02Å; I28-V110 PolarHBondContact N-O 3.24Å; I28-V111 HydrophobicContact CB-CG1 4.41Å; I28-V111 HydrophobicContact CD1-CG1 4.01Å; I28-V111 HydrophobicContact CG1-CG1 4.34Å; I28-T112 PolarHBondContact O-N 3.19Å; I28-T112 PolarHBondContact O-OG1 2.74Å; I28-T112 VanDerWaalsContact O-OG1 3.08Å; I28-E217 HydrophobicContact CD1-CB 4.04Å; I28-E217 HydrophobicContact CD1-CG 4.01Å
29L95Very high93Very high2 Ų230.4 Ų30.41%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-91.6113.3-175.6-53.6179.8000110.5L27 L36 A37 A78 M79 T112L27-L29 HydrophobicContact CB-CD2 4.3Å; L29-L36 HydrophobicContact CD1-CB 4.19Å; L29-L36 HydrophobicContact CD2-CB 4.4Å; L29-L36 HydrophobicContact CD2-CD2 4.04Å; L29-A37 HydrophobicContact CD1-CB 3.85Å; L29-A78 HydrophobicContact CD1-CB 4.2Å; L29-M79 WeakPolarHBondContact CB-O 3.18Å; L29-M79 PolarHBondContact N-O 3.21Å; L29-M79 VanDerWaalsContact N-O 3.1Å; L29-T112 WeakPolarHBondContact CA-OG1 2.95Å
30G86.8Confident93.1Very high4 Ų428.9 Ų28.94%0.04117%0.167CC..  trans-72.8-177.7176.300000114.1G32 L33 T112G30-G32 PolarHBondContact O-N 3.35Å; G30-L33 PolarHBondContact O-N 2.93Å; G30-L33 VanDerWaalsContact O-N 3.07Å; G30-T112 PolarHBondContact N-O 2.87Å; G30-T112 PolarHBondContact N-OG1 2.84Å
31S80.3Confident93.1Very high29 Ų2934.5 Ų34.520%0.20319%0.193CC..THydrogen-bonded Turntrans-56.2130.4179.3-48.80000111.8L33 H62S31-L33 PolarHBondContact O-N 3.27Å; S31-H62 PolarHBondContact OG-NE2 3.43Å
32G78Confident93.2Very high36 Ų3637.4 Ų37.437%0.37121%0.206SC..THydrogen-bonded Turntrans75.1-3.4-178.100000115.5G30G30-G32 PolarHBondContact O-N 3.35Å
33L84.2Confident93.3Very high3 Ų334.4 Ų34.42%0.01619%0.194CC..  trans-109.12.3-176.6-54.3176.9000112.7G30 S31 E35 L36 T112 T254 F261G30-L33 PolarHBondContact O-N 2.93Å; G30-L33 VanDerWaalsContact O-N 3.07Å; S31-L33 PolarHBondContact O-N 3.27Å; L33-E35 VanDerWaalsContact C-N 3.27Å; L33-E35 PolarHBondContact O-N 3Å; L33-L36 PolarHBondContact O-N 2.93Å; L33-T112 WeakPolarHBondContact CD1-OG1 3.38Å; L33-T254 HydrophobicContact CD2-CG2 4.46Å; L33-F261 HydrophobicContact CB-CE1 3.82Å; L33-F261 HydrophobicContact CB-CZ 3.92Å; L33-F261 HydrophobicContact CD1-CE1 4.47Å; L33-F261 HydrophobicContact CD1-CE2 3.97Å; L33-F261 HydrophobicContact CD1-CZ 3.89Å; L33-F261 HydrophobicContact CD2-CD1 3.8Å; L33-F261 HydrophobicContact CD2-CD2 4.16Å; L33-F261 HydrophobicContact CD2-CE1 3.84Å; L33-F261 HydrophobicContact CD2-CE2 4.19Å; L33-F261 HydrophobicContact CD2-CG 3.97Å; L33-F261 HydrophobicContact CD2-CZ 4.03Å; L33-F261 HydrophobicContact CG-CE1 4.24Å; L33-F261 HydrophobicContact CG-CZ 4.15Å
34G88Confident93.4Very high16 Ų1636 Ų3617%0.16520%0.204CC..G310 helixtrans-66.9-22.4-177.500000114.4L36 A37 Q80G34-L36 PolarHBondContact O-N 3.1Å; G34-A37 WeakPolarHBondContact O-CB 3.41Å; G34-A37 PolarHBondContact O-N 3.42Å; G34-Q80 PolarHBondContact O-NE2 2.89Å
35E91.6Very high93.5Very high61 Ų6138.3 Ų38.329%0.28522%0.216SC..G310 helixtrans-61.6-23178.5-73-170.6-151.600113L33 A37 E38 K258L33-E35 VanDerWaalsContact C-N 3.27Å; L33-E35 PolarHBondContact O-N 3Å; E35-A37 PolarHBondContact O-N 3.39Å; E35-E38 VanDerWaalsContact O-CB 3.32Å; E35-E38 WeakPolarHBondContact O-CB 3.49Å; E35-E38 PolarHBondContact O-N 3.43Å; E35-K258 VanDerWaalsContact CD-NZ 3.27Å; E35-K258 IonicContact OE1-NZ 2.72Å; E35-K258 PolarHBondContact OE1-NZ 3.36Å; E35-K258 WeakPolarHBondContact OE2-CD 3.43Å; E35-K258 WeakPolarHBondContact OE2-CE 3.37Å; E35-K258 IonicContact OE2-NZ 3.09Å; E35-K258 PolarHBondContact OE2-NZ 2.96Å
36L94.5Very high93.5Very high2 Ų238.4 Ų38.41%0.0122%0.217CC..G310 helixtrans-58.7-30174.5179.960.7000112.1L29 L33 G34 E38 E39 L71 F261 K262 I265 K266L29-L36 HydrophobicContact CD1-CB 4.19Å; L29-L36 HydrophobicContact CD2-CB 4.4Å; L29-L36 HydrophobicContact CD2-CD2 4.04Å; L33-L36 PolarHBondContact O-N 2.93Å; G34-L36 PolarHBondContact O-N 3.1Å; L36-E38 PolarHBondContact O-N 3.16Å; L36-E39 PolarHBondContact O-N 3.32Å; L36-L71 HydrophobicContact CD1-CD1 4.45Å; L36-L71 HydrophobicContact CD1-CD2 4.08Å; L36-L71 HydrophobicContact CD2-CD2 4.45Å; L36-L71 HydrophobicContact CG-CD2 4.22Å; L36-F261 HydrophobicContact CB-CE1 4.4Å; L36-F261 HydrophobicContact CD2-CE1 4.22Å; L36-K262 HydrophobicContact CB-CG 4.19Å; L36-K262 HydrophobicContact CD1-CB 4.13Å; L36-K262 HydrophobicContact CD1-CG 3.96Å; L36-I265 HydrophobicContact CD2-CB 4Å; L36-I265 HydrophobicContact CD2-CG1 4.37Å; L36-I265 HydrophobicContact CD2-CG2 3.63Å; L36-K266 HydrophobicContact CD1-CD 4.38Å; L36-K266 HydrophobicContact CD1-CG 4.18Å
37A95.5Very high93.4Very high4 Ų440.3 Ų40.33%0.03323%0.229CC..G310 helixtrans-66.6-22.2176.900000113L29 G34 E35 E39 I40 V67 A78 Q80L29-A37 HydrophobicContact CD1-CB 3.85Å; G34-A37 WeakPolarHBondContact O-CB 3.41Å; G34-A37 PolarHBondContact O-N 3.42Å; E35-A37 PolarHBondContact O-N 3.39Å; A37-E39 PolarHBondContact O-N 3.36Å; A37-I40 HydrophobicContact CB-CD1 4.23Å; A37-I40 WeakPolarHBondContact O-CB 3.48Å; A37-I40 WeakPolarHBondContact O-CG1 3.3Å; A37-I40 PolarHBondContact O-N 2.98Å; A37-V67 HydrophobicContact CB-CB 4.26Å; A37-V67 HydrophobicContact CB-CG2 4.1Å; A37-A78 HydrophobicContact CB-CB 4.4Å; A37-Q80 HydrophobicContact CB-CB 4.18Å; A37-Q80 HydrophobicContact CB-CG 3.91Å
38E95.2Very high93.2Very high145 Ų14540.2 Ų40.268%0.67823%0.228SC*.G310 helixtrans-74.1-17.9177.3-56.3-178.4-176.600112.2E35 L36 I40E35-E38 VanDerWaalsContact O-CB 3.32Å; E35-E38 WeakPolarHBondContact O-CB 3.49Å; E35-E38 PolarHBondContact O-N 3.43Å; L36-E38 PolarHBondContact O-N 3.16Å; E38-I40 VanDerWaalsContact C-N 3.32Å
39E96.7Very high93.1Very high58 Ų5846.1 Ų46.127%0.27126%0.26SS..G310 helixtrans-88.33.1174.6-61.2-164.3-164.100113.3L36 A37 E41 L71 K262 K266L36-E39 PolarHBondContact O-N 3.32Å; A37-E39 PolarHBondContact O-N 3.36Å; E39-E41 PolarHBondContact O-N 3.15Å; E39-L71 HydrophobicContact CB-CD1 4.21Å; E39-K262 WeakPolarHBondContact OE1-CD 3.19Å; E39-K262 WeakPolarHBondContact OE1-CE 3.4Å; E39-K262 IonicContact OE1-NZ 2.74Å; E39-K262 PolarHBondContact OE1-NZ 2.89Å; E39-K266 VanDerWaalsContact OE2-CD 3.22Å; E39-K266 WeakPolarHBondContact OE2-CD 3.47Å; E39-K266 WeakPolarHBondContact OE2-CE 3.3Å; E39-K266 IonicContact OE2-NZ 2.89Å; E39-K266 PolarHBondContact OE2-NZ 3.09Å
40I98.1Very high93.1Very high8 Ų850.8 Ų50.84%0.04128%0.282CS..  trans-75.7119.5176.2-64173.6000109.5A37 E38 V67 G69 L71 V76 A78A37-I40 HydrophobicContact CB-CD1 4.23Å; A37-I40 WeakPolarHBondContact O-CB 3.48Å; A37-I40 WeakPolarHBondContact O-CG1 3.3Å; A37-I40 PolarHBondContact O-N 2.98Å; E38-I40 VanDerWaalsContact C-N 3.32Å; I40-V67 HydrophobicContact CB-CG1 4.19Å; I40-V67 HydrophobicContact CD1-CB 4.08Å; I40-V67 HydrophobicContact CD1-CG1 3.75Å; I40-V67 HydrophobicContact CG2-CG1 4.32Å; I40-G69 VanDerWaalsContact CG2-CA 3.41Å; I40-L71 HydrophobicContact CG1-CB 4.37Å; I40-V76 HydrophobicContact CD1-CG2 3.85Å; I40-V76 HydrophobicContact CG1-CG2 4.03Å; I40-V76 HydrophobicContact CG2-CG2 4.42Å; I40-A78 HydrophobicContact CD1-CB 3.68Å
41E98Very high93.5Very high118 Ų11851 Ų5155%0.55128%0.282SS*.EExtended strand (participates in β ladder)trans-76.9139.5-179.9-60.5174.2-165.500111.8E39 K70E39-E41 PolarHBondContact O-N 3.15Å; E41-K70 HydrophobicContact CB-CB 4.23Å; E41-K70 WeakPolarHBondContact CB-O 3.28Å; E41-K70 PolarHBondContact N-O 2.85Å; E41-K70 PolarHBondContact O-N 2.73Å
42N96.4Very high94.2Very high133 Ų13351.8 Ų51.871%0.71129%0.286SS*.EExtended strand (participates in β ladder)trans53.156.7-178.5-51-67.7000113
43P97.5Very high95Very high73 Ų7354.1 Ų54.147%0.47429%0.287SS..EExtended strand (participates in β ladder)trans-71.7136.1-16830.4-35.8000112.4V45 V67 Y68P43-V45 HydrophobicContact CB-CG2 4.11Å; P43-V67 HydrophobicContact CB-CG1 3.99Å; P43-Y68 CarbonylContact C-O 3.43Å; P43-Y68 VanDerWaalsContact CA-O 3.22Å; P43-Y68 WeakPolarHBondContact CA-O 3.37Å
44V98Very high95.4Very high42 Ų4254.9 Ų54.926%0.25529%0.29SS..EExtended strand (participates in β ladder)trans-98.5112.3156.8178.30000106.8K18 V20 I46 Y68K18-V44 HydrophobicContact CB-CG1 4.33Å; K18-V44 WeakPolarHBondContact O-CG1 3.48Å; V20-V44 HydrophobicContact CG2-CG1 4.43Å; V44-I46 HydrophobicContact CG1-CD1 4.33Å; V44-I46 HydrophobicContact CG1-CG1 4.08Å; V44-Y68 HydrophobicContact CB-CD1 4.13Å; V44-Y68 HydrophobicContact CG2-CD1 4.08Å; V44-Y68 PolarHBondContact N-O 3.4Å; V44-Y68 PolarHBondContact O-N 3Å
45V97.6Very high95.3Very high67 Ų6754.8 Ų54.841%0.40629%0.287SS..EExtended strand (participates in β ladder)trans-103.4125.3-178.9-176.60000109.3P43 Q65 L66 V67P43-V45 HydrophobicContact CB-CG2 4.11Å; V45-Q65 HydrophobicContact CG1-CB 4.09Å; V45-Q65 VanDerWaalsContact CG1-CD 3.41Å; V45-Q65 HydrophobicContact CG1-CG 4.08Å; V45-L66 CarbonylContact C-O 3.44Å; V45-L66 WeakPolarHBondContact CA-O 3.27Å; V45-V67 HydrophobicContact CG2-CG1 4.35Å; V45-V67 HydrophobicContact CG2-CG2 4.47Å
46I97.4Very high94.8Very high3 Ų356.1 Ų56.12%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-126.5106.5-179-45171000108.5Y14 I15 K18 V20 V44 I51 Q65 L66Y14-I46 HydrophobicContact CE1-CG2 4.14Å; I15-I46 HydrophobicContact CG2-CD1 4.38Å; K18-I46 HydrophobicContact CB-CD1 3.62Å; K18-I46 HydrophobicContact CB-CG1 4.23Å; K18-I46 HydrophobicContact CG-CD1 3.89Å; K18-I46 HydrophobicContact CG-CG1 4.33Å; V20-I46 HydrophobicContact CG2-CD1 4.02Å; V44-I46 HydrophobicContact CG1-CD1 4.33Å; V44-I46 HydrophobicContact CG1-CG1 4.08Å; I46-I51 HydrophobicContact CB-CD1 4.28Å; I46-I51 HydrophobicContact CB-CG1 4.42Å; I46-I51 HydrophobicContact CG2-CD1 3.89Å; I46-I51 HydrophobicContact CG2-CG1 3.5Å; I46-Q65 WeakPolarHBondContact O-CA 3.48Å; I46-L66 HydrophobicContact CB-CB 4.44Å; I46-L66 PolarHBondContact N-O 3.31Å; I46-L66 PolarHBondContact O-N 3.09Å
47P95.8Very high93.9Very high39 Ų3957.1 Ų57.125%0.25331%0.306SS..EExtended strand (participates in β ladder)trans-57.9140174.9-26.136.4000112.1N49 E50P47-N49 VanDerWaalsContact CB-OD1 3.22Å; P47-N49 WeakPolarHBondContact CB-OD1 3.43Å; P47-N49 PolarHBondContact O-N 2.91Å; P47-E50 HydrophobicContact CB-CG 4.28Å; P47-E50 HydrophobicContact CG-CG 4.5Å; P47-E50 PolarHBondContact O-N 3.36Å
48Y95.6Very high93Very high2 Ų262.1 Ų62.11%0.00834%0.336CS..G310 helixtrans-59-34.9-177.1-67.3-16.5000113.1E50 I51 F54 P55 G64 Q65 L66 M79 G81 F83Y48-E50 PolarHBondContact O-N 3.42Å; Y48-I51 HydrophobicContact CD1-CD1 4.28Å; Y48-I51 PolarHBondContact O-N 3.32Å; Y48-I51 VanDerWaalsContact O-N 3.12Å; Y48-F54 AromaticContact CD1-CD1 3.7Å; Y48-F54 HydrophobicContact CD1-CD1 3.7Å; Y48-F54 AromaticContact CD1-CE1 3.6Å; Y48-F54 HydrophobicContact CD1-CE1 3.6Å; Y48-F54 HydrophobicContact CE1-CD1 4.3Å; Y48-F54 AromaticContact CE1-CE1 3.73Å; Y48-F54 HydrophobicContact CE1-CE1 3.73Å; Y48-F54 AromaticContact CG-CD1 3.85Å; Y48-F54 HydrophobicContact CG-CD1 3.85Å; Y48-F54 HydrophobicContact CG-CE1 4.1Å; Y48-P55 WeakPolarHBondContact CB-O 3.32Å; Y48-G64 WeakPolarHBondContact CB-O 3.22Å; Y48-G64 WeakPolarHBondContact CD2-O 3.44Å; Y48-G64 VanDerWaalsContact CE2-CA 3.46Å; Y48-G64 PolarHBondContact N-O 3.29Å; Y48-Q65 VanDerWaalsContact CE1-CA 3.5Å; Y48-Q65 WeakPolarHBondContact CE1-O 3.47Å; Y48-Q65 PolarHBondContact OH-O 3.28Å; Y48-L66 HydrophobicContact CD1-CG 4.24Å; Y48-L66 HydrophobicContact CE1-CB 4.5Å; Y48-L66 HydrophobicContact CE1-CD2 3.87Å; Y48-L66 HydrophobicContact CE1-CG 3.82Å; Y48-M79 WeakPolarHBondContact OH-CA 3.38Å; Y48-M79 WeakPolarHBondContact OH-CB 3.18Å; Y48-G81 PolarHBondContact OH-O 3.27Å; Y48-F83 AromaticContact CD2-CE1 3.79Å; Y48-F83 HydrophobicContact CD2-CE1 3.79Å; Y48-F83 AromaticContact CD2-CZ 3.56Å; Y48-F83 HydrophobicContact CD2-CZ 3.56Å; Y48-F83 AromaticContact CE2-CE1 3.98Å; Y48-F83 HydrophobicContact CE2-CE1 3.98Å; Y48-F83 AromaticContact CE2-CZ 3.68Å; Y48-F83 HydrophobicContact CE2-CZ 3.68Å; Y48-F83 HydrophobicContact CG-CZ 4.26Å
49N93.9Very high91.8Very high124 Ų12456.6 Ų56.666%0.66331%0.313SS*.G310 helixtrans-69.9-12.2178.966.3-9.3000114.2P47 V56P47-N49 VanDerWaalsContact CB-OD1 3.22Å; P47-N49 WeakPolarHBondContact CB-OD1 3.43Å; P47-N49 PolarHBondContact O-N 2.91Å; N49-V56 HydrophobicContact CB-CG2 4.47Å
50E95.1Very high90.5Very high100 Ų10059.8 Ų59.847%0.46734%0.336SS..G310 helixtrans-92.7-12.6173.2-66.4-173.3-165.600112.6Y14 P47 Y48Y14-E50 VanDerWaalsContact CE1-O 3.22Å; Y14-E50 WeakPolarHBondContact CE1-O 3.28Å; Y14-E50 PolarHBondContact OH-O 2.81Å; Y14-E50 VanDerWaalsContact OH-O 3.06Å; P47-E50 HydrophobicContact CB-CG 4.28Å; P47-E50 HydrophobicContact CG-CG 4.5Å; P47-E50 PolarHBondContact O-N 3.36Å; Y48-E50 PolarHBondContact O-N 3.42Å
51I96.7Very high89.1Confident8 Ų863.1 Ų63.14%0.04137%0.372CS..SBendtrans-90.3124.5-174.4-58.7171.4000109.1T11 Y14 I15 I46 Y48 H53 F54 L66T11-I51 HydrophobicContact CG2-CG2 3.49Å; T11-I51 VanDerWaalsContact CG2-CG2 3.49Å; Y14-I51 HydrophobicContact CD1-CG2 4.42Å; Y14-I51 HydrophobicContact CE1-CG1 4.22Å; I15-I51 HydrophobicContact CD1-CG2 4.21Å; I15-I51 HydrophobicContact CG1-CG2 4.31Å; I46-I51 HydrophobicContact CB-CD1 4.28Å; I46-I51 HydrophobicContact CB-CG1 4.42Å; I46-I51 HydrophobicContact CG2-CD1 3.89Å; I46-I51 HydrophobicContact CG2-CG1 3.5Å; Y48-I51 HydrophobicContact CD1-CD1 4.28Å; Y48-I51 PolarHBondContact O-N 3.32Å; Y48-I51 VanDerWaalsContact O-N 3.12Å; I51-H53 PolarHBondContact O-N 3.41Å; I51-F54 HydrophobicContact CB-CB 3.65Å; I51-F54 HydrophobicContact CB-CD2 4.28Å; I51-F54 HydrophobicContact CB-CG 3.99Å; I51-F54 HydrophobicContact CD1-CD1 4.3Å; I51-F54 HydrophobicContact CD1-CG 4.3Å; I51-F54 HydrophobicContact CG2-CB 3.73Å; I51-F54 HydrophobicContact CG2-CD2 3.58Å; I51-F54 HydrophobicContact CG2-CE2 4.35Å; I51-F54 HydrophobicContact CG2-CG 3.81Å; I51-F54 WeakPolarHBondContact O-CB 3.3Å; I51-F54 PolarHBondContact O-N 2.98Å; I51-L66 HydrophobicContact CD1-CB 4.38Å; I51-L66 HydrophobicContact CD1-CD1 3.47Å; I51-L66 VanDerWaalsContact CD1-CD1 3.47Å; I51-L66 HydrophobicContact CD1-CG 3.8Å
52P95.2Very high88Confident45 Ų4558.6 Ų58.629%0.29235%0.351SS..THydrogen-bonded Turntrans-54.3134.4177.4-26.134.2000111.9T11 Y14 F54T11-P52 PolarHBondContact OG1-O 3.15Å; Y14-P52 HydrophobicContact CD1-CG 4.31Å; Y14-P52 HydrophobicContact CD2-CG 4.19Å; Y14-P52 VanDerWaalsContact CG-CD 3.44Å; Y14-P52 HydrophobicContact CG-CG 3.89Å; P52-F54 PolarHBondContact O-N 3.05Å
53H94.4Very high87.3Confident86 Ų8655 Ų5540%0.39834%0.34SS..THydrogen-bonded Turntrans61.24.1177.5-44.6-62000115.8K7 Q10 I51 Y96K7-H53 HydrophobicContact CB-CB 4.34Å; Q10-H53 PolarHBondContact OE1-NE2 3.04Å; I51-H53 PolarHBondContact O-N 3.41Å; H53-Y96 HydrophobicContact CB-CE1 4.21Å; H53-Y96 WeakPolarHBondContact CB-OH 3.16Å
54F92.1Very high87Confident18 Ų1852.2 Ų52.28%0.07933%0.325CS..  trans-77.1142.6-178.8-132.6-107.2000110.7T11 Y48 I51 P52 L66 F83 Y96 P97 V100T11-F54 HydrophobicContact CG2-CD2 3.94Å; T11-F54 HydrophobicContact CG2-CE2 4.32Å; Y48-F54 AromaticContact CD1-CD1 3.7Å; Y48-F54 HydrophobicContact CD1-CD1 3.7Å; Y48-F54 AromaticContact CD1-CE1 3.6Å; Y48-F54 HydrophobicContact CD1-CE1 3.6Å; Y48-F54 HydrophobicContact CE1-CD1 4.3Å; Y48-F54 AromaticContact CE1-CE1 3.73Å; Y48-F54 HydrophobicContact CE1-CE1 3.73Å; Y48-F54 AromaticContact CG-CD1 3.85Å; Y48-F54 HydrophobicContact CG-CD1 3.85Å; Y48-F54 HydrophobicContact CG-CE1 4.1Å; I51-F54 HydrophobicContact CB-CB 3.65Å; I51-F54 HydrophobicContact CB-CD2 4.28Å; I51-F54 HydrophobicContact CB-CG 3.99Å; I51-F54 HydrophobicContact CD1-CD1 4.3Å; I51-F54 HydrophobicContact CD1-CG 4.3Å; I51-F54 HydrophobicContact CG2-CB 3.73Å; I51-F54 HydrophobicContact CG2-CD2 3.58Å; I51-F54 HydrophobicContact CG2-CE2 4.35Å; I51-F54 HydrophobicContact CG2-CG 3.81Å; I51-F54 WeakPolarHBondContact O-CB 3.3Å; I51-F54 PolarHBondContact O-N 2.98Å; P52-F54 PolarHBondContact O-N 3.05Å; F54-L66 HydrophobicContact CE1-CD2 4.49Å; F54-L66 HydrophobicContact CZ-CD1 4.15Å; F54-L66 HydrophobicContact CZ-CD2 4.23Å; F54-L66 HydrophobicContact CZ-CG 4.37Å; F54-F83 HydrophobicContact CD1-CE2 4.31Å; F54-F83 HydrophobicContact CD1-CZ 4.06Å; F54-F83 HydrophobicContact CE1-CE2 4.13Å; F54-F83 HydrophobicContact CE1-CZ 4.15Å; F54-Y96 AromaticContact CD2-CD1 3.98Å; F54-Y96 HydrophobicContact CD2-CD1 3.98Å; F54-Y96 HydrophobicContact CD2-CE1 4.03Å; F54-Y96 HydrophobicContact CE2-CD1 4.29Å; F54-P97 HydrophobicContact CE1-CB 4.39Å; F54-P97 HydrophobicContact CE1-CG 3.99Å; F54-P97 HydrophobicContact CE2-CB 4.31Å; F54-P97 HydrophobicContact CE2-CG 4.32Å; F54-P97 HydrophobicContact CZ-CB 3.69Å; F54-P97 HydrophobicContact CZ-CG 3.69Å; F54-V100 HydrophobicContact CE2-CB 4.4Å; F54-V100 HydrophobicContact CE2-CG1 4.4Å; F54-V100 HydrophobicContact CE2-CG2 4.23Å
55P86.6Confident86.9Confident15 Ų1552.7 Ų52.710%0.09732%0.324CS..  trans-69.6160.3174.3-11.426.1000111.6Y48 F83 T93Y48-P55 WeakPolarHBondContact CB-O 3.32Å; P55-F83 HydrophobicContact CB-CD1 3.84Å; P55-F83 HydrophobicContact CB-CD2 3.92Å; P55-F83 HydrophobicContact CB-CE1 3.68Å; P55-F83 HydrophobicContact CB-CE2 3.75Å; P55-F83 HydrophobicContact CB-CG 3.96Å; P55-F83 HydrophobicContact CB-CZ 3.63Å; P55-F83 HydrophobicContact CG-CD2 3.73Å; P55-F83 HydrophobicContact CG-CE1 4.41Å; P55-F83 HydrophobicContact CG-CE2 3.54Å; P55-F83 HydrophobicContact CG-CG 4.25Å; P55-F83 HydrophobicContact CG-CZ 3.92Å; P55-F83 WeakPolarHBondContact O-CE1 3.43Å; P55-F83 WeakPolarHBondContact O-CZ 3.45Å; P55-T93 HydrophobicContact CB-CG2 3.49Å; P55-T93 VanDerWaalsContact CB-CG2 3.49Å; P55-T93 HydrophobicContact CG-CG2 3.44Å; P55-T93 VanDerWaalsContact CG-CG2 3.44Å; P55-T93 WeakPolarHBondContact CG-O 3.42Å
56V81.1Confident86.8Confident89 Ų8949.6 Ų49.654%0.53931%0.305SS..  trans-108.2130.5174.9-177.80000108.8N49N49-V56 HydrophobicContact CB-CG2 4.47Å
57S75.3Confident86.9Confident22 Ų2249.6 Ų49.615%0.15431%0.305CS..  trans-79.6136.7-179.1-1700000109.9H62 R82S57-H62 WeakPolarHBondContact OG-CB 3.46Å; S57-R82 PolarHBondContact OG-O 3.31Å
58T75.9Confident87Confident109 Ų10948.9 Ų48.967%0.66930%0.298SS*.  trans-111.7-6179.966.80000113.3E87T58-E87 PolarHBondContact N-OE1 2.68Å; T58-E87 VanDerWaalsContact N-OE1 3.09Å; T58-E87 PolarHBondContact OG1-OE1 3.08Å
59V71.3Confident87.1Confident30 Ų3049 Ų4918%0.18230%0.299CS..SBendtrans-81.6132.2-175.7-173.30000111.2G61 H62 Y86 E87V59-G61 PolarHBondContact O-N 3.02Å; V59-H62 WeakPolarHBondContact O-CB 3.42Å; V59-H62 PolarHBondContact O-N 3.25Å; V59-Y86 HydrophobicContact CG2-CE2 4.2Å; V59-E87 HydrophobicContact CG2-CG 3.84Å; V59-E87 WeakPolarHBondContact CG2-OE1 3.34Å
60V69.3Low87.3Confident124 Ų12447.9 Ų47.975%0.75229%0.288SS*.THydrogen-bonded Turntrans-57.4134.3173.4179.80000110.3
61G67.8Low87.4Confident78 Ų7843.2 Ų43.280%0.80427%0.267SS*.THydrogen-bonded Turntrans90.7-7.1-179.300000114.9V59V59-G61 PolarHBondContact O-N 3.02Å
62H74.5Confident87.4Confident23 Ų2344.4 Ų44.411%0.10628%0.276CS..  trans-91.6115.6170.9-69.3-98.4000109.6S31 S57 V59 G64 G81 R82 H84S31-H62 PolarHBondContact OG-NE2 3.43Å; S57-H62 WeakPolarHBondContact OG-CB 3.46Å; V59-H62 WeakPolarHBondContact O-CB 3.42Å; V59-H62 PolarHBondContact O-N 3.25Å; H62-G64 PolarHBondContact O-N 3.12Å; H62-G81 WeakPolarHBondContact ND1-CA 3.47Å; H62-R82 PolarHBondContact ND1-N 3.35Å; H62-H84 AromaticContact CE1-CE1 3.87Å; H62-H84 AromaticContact NE2-CE1 3.85Å
63A82.8Confident87.5Confident58 Ų5845.4 Ų45.448%0.47929%0.294SS..  trans-64.3-27.4-179.100000112.5Q65 Q80A63-Q65 HydrophobicContact CB-CG 4.1Å; A63-Q80 HydrophobicContact CB-CB 4.31Å; A63-Q80 HydrophobicContact CB-CG 3.95Å; A63-Q80 PolarHBondContact N-O 3.22Å
64G90.5Very high87.6Confident15 Ų1544.1 Ų44.116%0.15529%0.288CS..  trans75.342.7173.300000112.9Y48 H62 Q80Y48-G64 WeakPolarHBondContact CB-O 3.22Å; Y48-G64 WeakPolarHBondContact CD2-O 3.44Å; Y48-G64 VanDerWaalsContact CE2-CA 3.46Å; Y48-G64 PolarHBondContact N-O 3.29Å; H62-G64 PolarHBondContact O-N 3.12Å; G64-Q80 PolarHBondContact N-O 3.06Å; G64-Q80 VanDerWaalsContact N-O 3.11Å
65Q95.1Very high87.8Confident51 Ų5145.1 Ų45.124%0.23829%0.293CS..EExtended strand (participates in β ladder)trans-144.7149.3-177.362.1-172.425.700112.6V45 I46 Y48 A63 V67 Q80V45-Q65 HydrophobicContact CG1-CB 4.09Å; V45-Q65 VanDerWaalsContact CG1-CD 3.41Å; V45-Q65 HydrophobicContact CG1-CG 4.08Å; I46-Q65 WeakPolarHBondContact O-CA 3.48Å; Y48-Q65 VanDerWaalsContact CE1-CA 3.5Å; Y48-Q65 WeakPolarHBondContact CE1-O 3.47Å; Y48-Q65 PolarHBondContact OH-O 3.28Å; A63-Q65 HydrophobicContact CB-CG 4.1Å; Q65-V67 HydrophobicContact CG-CG2 4.06Å; Q65-Q80 HydrophobicContact CG-CB 4.06Å; Q65-Q80 PolarHBondContact O-N 3.14Å
66L97.1Very high88.4Confident2 Ų244.4 Ų44.41%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-85.7133.8165.3-70.1-177000109.1I15 V45 I46 Y48 I51 F54 L77 A78 M79I15-L66 HydrophobicContact CD1-CD1 3.73Å; I15-L66 HydrophobicContact CG1-CD1 4.34Å; V45-L66 CarbonylContact C-O 3.44Å; V45-L66 WeakPolarHBondContact CA-O 3.27Å; I46-L66 HydrophobicContact CB-CB 4.44Å; I46-L66 PolarHBondContact N-O 3.31Å; I46-L66 PolarHBondContact O-N 3.09Å; Y48-L66 HydrophobicContact CD1-CG 4.24Å; Y48-L66 HydrophobicContact CE1-CB 4.5Å; Y48-L66 HydrophobicContact CE1-CD2 3.87Å; Y48-L66 HydrophobicContact CE1-CG 3.82Å; I51-L66 HydrophobicContact CD1-CB 4.38Å; I51-L66 HydrophobicContact CD1-CD1 3.47Å; I51-L66 VanDerWaalsContact CD1-CD1 3.47Å; I51-L66 HydrophobicContact CD1-CG 3.8Å; F54-L66 HydrophobicContact CE1-CD2 4.49Å; F54-L66 HydrophobicContact CZ-CD1 4.15Å; F54-L66 HydrophobicContact CZ-CD2 4.23Å; F54-L66 HydrophobicContact CZ-CG 4.37Å; L66-L77 HydrophobicContact CB-CD1 4.06Å; L66-L77 HydrophobicContact CD1-CD1 4.31Å; L66-L77 HydrophobicContact CD2-CD1 4.43Å; L66-L77 HydrophobicContact CD2-CG 4.48Å; L66-A78 CarbonylContact C-O 3.59Å; L66-A78 WeakPolarHBondContact CA-O 3.5Å; L66-M79 HydrophobicContact CD2-CB 4.48Å; L66-M79 HydrophobicContact CD2-CG 3.63Å
67V98Very high89.2Confident4 Ų440.2 Ų40.22%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-122.2108.4177-172.70000108.5A37 I40 P43 V45 Q65 A78 Q80A37-V67 HydrophobicContact CB-CB 4.26Å; A37-V67 HydrophobicContact CB-CG2 4.1Å; I40-V67 HydrophobicContact CB-CG1 4.19Å; I40-V67 HydrophobicContact CD1-CB 4.08Å; I40-V67 HydrophobicContact CD1-CG1 3.75Å; I40-V67 HydrophobicContact CG2-CG1 4.32Å; P43-V67 HydrophobicContact CB-CG1 3.99Å; V45-V67 HydrophobicContact CG2-CG1 4.35Å; V45-V67 HydrophobicContact CG2-CG2 4.47Å; Q65-V67 HydrophobicContact CG-CG2 4.06Å; V67-A78 HydrophobicContact CB-CB 4.47Å; V67-A78 PolarHBondContact N-O 2.8Å; V67-A78 PolarHBondContact O-N 3.45Å; V67-Q80 HydrophobicContact CG2-CB 4.27Å
68Y98.5Very high90.3Very high23 Ų2339.1 Ų39.19%0.0926%0.256CS..EExtended strand (participates in β ladder)trans-101.4142.9175.7169.7-105.4000110.9V20 V21 V23 P43 V44 N75 V76V20-Y68 HydrophobicContact CB-CD1 4.26Å; V20-Y68 HydrophobicContact CB-CD2 4.43Å; V20-Y68 HydrophobicContact CB-CG 4.12Å; V20-Y68 HydrophobicContact CG1-CD1 4.4Å; V20-Y68 HydrophobicContact CG1-CD2 3.7Å; V20-Y68 HydrophobicContact CG1-CE2 4.18Å; V20-Y68 HydrophobicContact CG1-CG 3.84Å; V20-Y68 HydrophobicContact CG2-CD1 3.89Å; V20-Y68 HydrophobicContact CG2-CD2 4.47Å; V20-Y68 HydrophobicContact CG2-CG 3.74Å; V21-Y68 PolarHBondContact O-OH 3.4Å; V23-Y68 HydrophobicContact CG2-CD2 4.07Å; V23-Y68 HydrophobicContact CG2-CE2 3.9Å; P43-Y68 CarbonylContact C-O 3.43Å; P43-Y68 VanDerWaalsContact CA-O 3.22Å; P43-Y68 WeakPolarHBondContact CA-O 3.37Å; V44-Y68 HydrophobicContact CB-CD1 4.13Å; V44-Y68 HydrophobicContact CG2-CD1 4.08Å; V44-Y68 PolarHBondContact N-O 3.4Å; V44-Y68 PolarHBondContact O-N 3Å; Y68-N75 HydrophobicContact CE2-CB 4.09Å; Y68-V76 VanDerWaalsContact CA-O 3.3Å; Y68-V76 WeakPolarHBondContact CA-O 3.46Å; Y68-V76 WeakPolarHBondContact CD2-O 3.22Å
69G98.2Very high91.3Very high4 Ų434.1 Ų34.14%0.04123%0.225CC..EExtended strand (participates in β ladder)trans166-154.9172.400000111.6I40 N75 V76I40-G69 VanDerWaalsContact CG2-CA 3.41Å; G69-N75 CarbonylContact O-C 3.57Å; G69-N75 WeakPolarHBondContact O-CA 3.48Å; G69-V76 PolarHBondContact N-O 3.04Å; G69-V76 VanDerWaalsContact N-O 3.1Å; G69-V76 PolarHBondContact O-N 3.26Å
70K98Very high92.4Very high101 Ų10133.5 Ų33.544%0.43922%0.22SC..EExtended strand (participates in β ladder)trans-100.3128.3178.5-72.9-175.2178.7-177.20111.8E41 K74E41-K70 HydrophobicContact CB-CB 4.23Å; E41-K70 WeakPolarHBondContact CB-O 3.28Å; E41-K70 PolarHBondContact N-O 2.85Å; E41-K70 PolarHBondContact O-N 2.73Å; K70-K74 CarbonylContact C-O 3.47Å; K70-K74 VanDerWaalsContact CA-O 3.31Å; K70-K74 WeakPolarHBondContact CA-O 3.41Å
71L97.9Very high93.4Very high2 Ų227.8 Ų27.81%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-131.5125.2169.8-175.165.7000108.3L27 L36 E39 I40 G73 K74 V76 K266 L269L27-L71 HydrophobicContact CD1-CD2 3.91Å; L36-L71 HydrophobicContact CD1-CD1 4.45Å; L36-L71 HydrophobicContact CD1-CD2 4.08Å; L36-L71 HydrophobicContact CD2-CD2 4.45Å; L36-L71 HydrophobicContact CG-CD2 4.22Å; E39-L71 HydrophobicContact CB-CD1 4.21Å; I40-L71 HydrophobicContact CG1-CB 4.37Å; L71-G73 PolarHBondContact O-N 2.74Å; L71-G73 VanDerWaalsContact O-N 3.15Å; L71-K74 PolarHBondContact N-O 3.06Å; L71-K74 PolarHBondContact O-N 2.88Å; L71-V76 HydrophobicContact CB-CG1 4.04Å; L71-V76 HydrophobicContact CB-CG2 3.63Å; L71-V76 HydrophobicContact CD2-CG2 4.46Å; L71-K266 HydrophobicContact CD1-CD 4.13Å; L71-K266 HydrophobicContact CD1-CG 3.96Å; L71-K266 HydrophobicContact CG-CG 4.27Å; L71-L269 HydrophobicContact CD2-CD1 3.61Å; L71-L269 HydrophobicContact CG-CD1 4.04Å
72S96.9Very high94.6Very high34 Ų3424.1 Ų24.124%0.23815%0.148CC..THydrogen-bonded Turntrans52.835.3-177-65.50000113.9K74 K266S72-K74 VanDerWaalsContact C-N 3.25Å; S72-K74 PolarHBondContact O-N 3.39Å; S72-K266 VanDerWaalsContact CB-O 3.31Å; S72-K266 WeakPolarHBondContact CB-O 3.41Å; S72-K266 VanDerWaalsContact OG-CA 3.32Å; S72-K266 WeakPolarHBondContact OG-CA 3.46Å; S72-K266 VanDerWaalsContact OG-CB 3.31Å; S72-K266 WeakPolarHBondContact OG-CB 3.45Å; S72-K266 PolarHBondContact OG-O 3.39Å
73G95.3Very high95.5Very high65 Ų6523 Ų2367%0.6714%0.143SC*.THydrogen-bonded Turntrans76.42.5-178.200000115.5L71L71-G73 PolarHBondContact O-N 2.74Å; L71-G73 VanDerWaalsContact O-N 3.15Å
74K96.6Very high96.1Very high60 Ų6020.7 Ų20.726%0.26112%0.122SC..EExtended strand (participates in β ladder)trans-105.4143.1177.6-55.4-68.7172147.70110.4F25 K70 L71 S72 V76 L269 L272F25-K74 HydrophobicContact CD2-CB 4.33Å; F25-K74 HydrophobicContact CE2-CD 4.33Å; F25-K74 HydrophobicContact CE2-CG 4.33Å; K70-K74 CarbonylContact C-O 3.47Å; K70-K74 VanDerWaalsContact CA-O 3.31Å; K70-K74 WeakPolarHBondContact CA-O 3.41Å; L71-K74 PolarHBondContact N-O 3.06Å; L71-K74 PolarHBondContact O-N 2.88Å; S72-K74 VanDerWaalsContact C-N 3.25Å; S72-K74 PolarHBondContact O-N 3.39Å; K74-V76 HydrophobicContact CB-CG1 4.31Å; K74-V76 PolarHBondContact O-N 2.84Å; K74-L269 VanDerWaalsContact CE-O 3.3Å; K74-L269 WeakPolarHBondContact CE-O 3.43Å; K74-L269 WeakPolarHBondContact CG-O 3.43Å; K74-L272 WeakPolarHBondContact CE-OXT 3.42Å; K74-L272 PolarHBondContact NZ-OXT 3.47Å
75N97.4Very high96.4Very high38 Ų3824 Ų2420%0.20313%0.131CC..EExtended strand (participates in β ladder)trans-74.2116.9169.4-69.2-12000108.7D22 A24 F25 Y68 G69D22-N75 VanDerWaalsContact O-CB 3.25Å; D22-N75 WeakPolarHBondContact O-CB 3.21Å; D22-N75 PolarHBondContact O-ND2 3.1Å; D22-N75 VanDerWaalsContact O-ND2 3.09Å; A24-N75 WeakPolarHBondContact CB-O 3.29Å; A24-N75 PolarHBondContact N-O 3.41Å; F25-N75 PolarHBondContact N-O 3.32Å; Y68-N75 HydrophobicContact CE2-CB 4.09Å; G69-N75 CarbonylContact O-C 3.57Å; G69-N75 WeakPolarHBondContact O-CA 3.48Å
76V98.4Very high96.4Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-120.2149.2-177.6-57.90000110.8F25 L27 I40 Y68 G69 L71 K74 L269F25-V76 HydrophobicContact CB-CG1 4.27Å; F25-V76 CarbonylContact O-C 3.59Å; F25-V76 WeakPolarHBondContact O-CA 3.47Å; L27-V76 HydrophobicContact CD1-CB 4.01Å; L27-V76 HydrophobicContact CD1-CG1 4.28Å; L27-V76 HydrophobicContact CD1-CG2 4.14Å; L27-V76 HydrophobicContact CG-CB 4.3Å; I40-V76 HydrophobicContact CD1-CG2 3.85Å; I40-V76 HydrophobicContact CG1-CG2 4.03Å; I40-V76 HydrophobicContact CG2-CG2 4.42Å; Y68-V76 VanDerWaalsContact CA-O 3.3Å; Y68-V76 WeakPolarHBondContact CA-O 3.46Å; Y68-V76 WeakPolarHBondContact CD2-O 3.22Å; G69-V76 PolarHBondContact N-O 3.04Å; G69-V76 VanDerWaalsContact N-O 3.1Å; G69-V76 PolarHBondContact O-N 3.26Å; L71-V76 HydrophobicContact CB-CG1 4.04Å; L71-V76 HydrophobicContact CB-CG2 3.63Å; L71-V76 HydrophobicContact CD2-CG2 4.46Å; K74-V76 HydrophobicContact CB-CG1 4.31Å; K74-V76 PolarHBondContact O-N 2.84Å; V76-L269 HydrophobicContact CG1-CD1 4.36Å
77L98.4Very high96.2Very high1 Ų126.8 Ų26.81%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-119.8102.8169.118065.5000108.6V20 V23 F25 G26 L27 L66 M101 L104V20-L77 HydrophobicContact CG1-CD1 4.35Å; V23-L77 HydrophobicContact CG1-CB 3.58Å; V23-L77 HydrophobicContact CG2-CB 4.42Å; F25-L77 PolarHBondContact O-N 3.42Å; G26-L77 WeakPolarHBondContact CA-O 3.36Å; L27-L77 PolarHBondContact N-O 2.92Å; L66-L77 HydrophobicContact CB-CD1 4.06Å; L66-L77 HydrophobicContact CD1-CD1 4.31Å; L66-L77 HydrophobicContact CD2-CD1 4.43Å; L66-L77 HydrophobicContact CD2-CG 4.48Å; L77-M101 HydrophobicContact CD2-CG 4.16Å; L77-L104 HydrophobicContact CD2-CD1 3.63Å
78A98Very high96Very high0 Ų029.8 Ų29.80%017%0.173CC..EExtended strand (participates in β ladder)trans-93.7128.8-179.100000111.6L27 L29 A37 I40 L66 V67 Q80L27-A78 HydrophobicContact CB-CB 4.04Å; L27-A78 HydrophobicContact CD1-CB 4.32Å; L27-A78 CarbonylContact O-C 3.58Å; L27-A78 WeakPolarHBondContact O-CA 3.39Å; L29-A78 HydrophobicContact CD1-CB 4.2Å; A37-A78 HydrophobicContact CB-CB 4.4Å; I40-A78 HydrophobicContact CD1-CB 3.68Å; L66-A78 CarbonylContact C-O 3.59Å; L66-A78 WeakPolarHBondContact CA-O 3.5Å; V67-A78 HydrophobicContact CB-CB 4.47Å; V67-A78 PolarHBondContact N-O 2.8Å; V67-A78 PolarHBondContact O-N 3.45Å; A78-Q80 PolarHBondContact O-N 3.15Å
79M97.2Very high95.8Very high3 Ų330.2 Ų30.22%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-79.5104.7159.9-74.7173.568.900108.3L27 I28 L29 Y48 L66 G81 R82 F83 P97 M101L27-M79 PolarHBondContact O-N 3.09Å; I28-M79 HydrophobicContact CD1-SD 4.2Å; I28-M79 HydrophobicContact CG1-SD 3.93Å; I28-M79 HydrophobicContact CG2-SD 4.42Å; L29-M79 WeakPolarHBondContact CB-O 3.18Å; L29-M79 PolarHBondContact N-O 3.21Å; L29-M79 VanDerWaalsContact N-O 3.1Å; Y48-M79 WeakPolarHBondContact OH-CA 3.38Å; Y48-M79 WeakPolarHBondContact OH-CB 3.18Å; L66-M79 HydrophobicContact CD2-CB 4.48Å; L66-M79 HydrophobicContact CD2-CG 3.63Å; M79-G81 WeakPolarHBondContact CB-O 3.39Å; M79-G81 PolarHBondContact O-N 2.94Å; M79-R82 HydrophobicContact CE-CB 4.41Å; M79-F83 HydrophobicContact CE-CE2 4.3Å; M79-P97 HydrophobicContact CE-CB 3.56Å; M79-P97 HydrophobicContact CE-CG 3.56Å; M79-P97 HydrophobicContact CG-CB 4.5Å; M79-P97 HydrophobicContact SD-CB 3.34Å; M79-P97 WeakPolarHBondContact SD-CB 3.36Å; M79-P97 HydrophobicContact SD-CG 4.07Å; M79-M101 HydrophobicContact CG-CE 3.46Å; M79-M101 VanDerWaalsContact CG-CE 3.46Å; M79-M101 HydrophobicContact SD-CE 3.57Å; M79-M101 VanDerWaalsContact SD-CE 3.57Å
80Q94Very high95.7Very high18 Ų1833.3 Ų33.38%0.08420%0.196CC..EExtended strand (participates in β ladder)trans-81.870.7174.4-159.4178.917.800109.3G34 A37 A63 G64 Q65 V67 A78G34-Q80 PolarHBondContact O-NE2 2.89Å; A37-Q80 HydrophobicContact CB-CB 4.18Å; A37-Q80 HydrophobicContact CB-CG 3.91Å; A63-Q80 HydrophobicContact CB-CB 4.31Å; A63-Q80 HydrophobicContact CB-CG 3.95Å; A63-Q80 PolarHBondContact N-O 3.22Å; G64-Q80 PolarHBondContact N-O 3.06Å; G64-Q80 VanDerWaalsContact N-O 3.11Å; Q65-Q80 HydrophobicContact CG-CB 4.06Å; Q65-Q80 PolarHBondContact O-N 3.14Å; V67-Q80 HydrophobicContact CG2-CB 4.27Å; A78-Q80 PolarHBondContact O-N 3.15Å
81G90Very high95.6Very high3 Ų329.1 Ų29.13%0.03118%0.178CC..SBendtrans114.4163.3-174.300000113.6Y48 H62 M79Y48-G81 PolarHBondContact OH-O 3.27Å; H62-G81 WeakPolarHBondContact ND1-CA 3.47Å; M79-G81 WeakPolarHBondContact CB-O 3.39Å; M79-G81 PolarHBondContact O-N 2.94Å
82R93.4Very high95.5Very high1 Ų133.5 Ų33.50%0.00420%0.201CC..  trans-137.9-179.8-170.975.9-165.5-55.6168.5-0.2111.3I28 S57 H62 M79 H84 T112 S213 T214 E217I28-R82 HydrophobicContact CG2-CB 4.09Å; S57-R82 PolarHBondContact OG-O 3.31Å; H62-R82 PolarHBondContact ND1-N 3.35Å; M79-R82 HydrophobicContact CE-CB 4.41Å; R82-H84 VanDerWaalsContact CG-CE1 3.5Å; R82-H84 WeakPolarHBondContact CG-CE1 3.22Å; R82-H84 WeakPolarHBondContact CG-NE2 3.14Å; R82-T112 PolarHBondContact NH1-O 3.31Å; R82-S213 PolarHBondContact NH1-OG 2.86Å; R82-T214 PolarHBondContact NH1-OG1 2.97Å; R82-T214 VanDerWaalsContact NH2-N 3.11Å; R82-T214 PolarHBondContact NH2-OG1 3.45Å; R82-E217 IonicContact CZ-OE1 2.76Å; R82-E217 VanDerWaalsContact CZ-OE1 3.28Å; R82-E217 IonicContact NE-OE1 2.67Å; R82-E217 PolarHBondContact NE-OE1 3.34Å; R82-E217 VanDerWaalsContact NE-OE1 3.11Å; R82-E217 IonicContact NH2-OE1 2.74Å; R82-E217 PolarHBondContact NH2-OE1 3.16Å; R82-E217 IonicContact NH2-OE2 2.87Å; R82-E217 PolarHBondContact NH2-OE2 3.37Å
83F94.1Very high95.4Very high1 Ų133.6 Ų33.60%0.00420%0.201CC..  trans-113.7143.7176.2-45.7-62.9000109.1Y48 F54 P55 M79 P97Y48-F83 AromaticContact CD2-CE1 3.79Å; Y48-F83 HydrophobicContact CD2-CE1 3.79Å; Y48-F83 AromaticContact CD2-CZ 3.56Å; Y48-F83 HydrophobicContact CD2-CZ 3.56Å; Y48-F83 AromaticContact CE2-CE1 3.98Å; Y48-F83 HydrophobicContact CE2-CE1 3.98Å; Y48-F83 AromaticContact CE2-CZ 3.68Å; Y48-F83 HydrophobicContact CE2-CZ 3.68Å; Y48-F83 HydrophobicContact CG-CZ 4.26Å; F54-F83 HydrophobicContact CD1-CE2 4.31Å; F54-F83 HydrophobicContact CD1-CZ 4.06Å; F54-F83 HydrophobicContact CE1-CE2 4.13Å; F54-F83 HydrophobicContact CE1-CZ 4.15Å; P55-F83 HydrophobicContact CB-CD1 3.84Å; P55-F83 HydrophobicContact CB-CD2 3.92Å; P55-F83 HydrophobicContact CB-CE1 3.68Å; P55-F83 HydrophobicContact CB-CE2 3.75Å; P55-F83 HydrophobicContact CB-CG 3.96Å; P55-F83 HydrophobicContact CB-CZ 3.63Å; P55-F83 HydrophobicContact CG-CD2 3.73Å; P55-F83 HydrophobicContact CG-CE1 4.41Å; P55-F83 HydrophobicContact CG-CE2 3.54Å; P55-F83 HydrophobicContact CG-CG 4.25Å; P55-F83 HydrophobicContact CG-CZ 3.92Å; P55-F83 WeakPolarHBondContact O-CE1 3.43Å; P55-F83 WeakPolarHBondContact O-CZ 3.45Å; M79-F83 HydrophobicContact CE-CE2 4.3Å; F83-P97 HydrophobicContact CD2-CG 3.91Å; F83-P97 HydrophobicContact CE2-CG 3.51Å
84H95.1Very high95.4Very high8 Ų830.7 Ų30.74%0.03717%0.17CC..  trans-122.5153.5-178.2-49.883.8000111H62 R82 Y86 E87 N89H62-H84 AromaticContact CE1-CE1 3.87Å; H62-H84 AromaticContact NE2-CE1 3.85Å; R82-H84 VanDerWaalsContact CG-CE1 3.5Å; R82-H84 WeakPolarHBondContact CG-CE1 3.22Å; R82-H84 WeakPolarHBondContact CG-NE2 3.14Å; H84-Y86 VanDerWaalsContact C-N 3.34Å; H84-Y86 HydrophobicContact CB-CD1 3.6Å; H84-Y86 HydrophobicContact CB-CD2 4.18Å; H84-Y86 HydrophobicContact CB-CE1 3.3Å; H84-Y86 HydrophobicContact CB-CE2 3.9Å; H84-Y86 HydrophobicContact CB-CG 4.03Å; H84-Y86 VanDerWaalsContact CB-CZ 3.45Å; H84-Y86 AromaticContact CD2-CE1 3.49Å; H84-Y86 VanDerWaalsContact CD2-CE1 3.49Å; H84-Y86 WeakPolarHBondContact CD2-CE1 3.36Å; H84-Y86 AromaticContact CD2-CZ 3.69Å; H84-Y86 PolarHBondContact CD2-OH 3.22Å; H84-Y86 PolarHBondContact CE1-OH 3Å; H84-Y86 VanDerWaalsContact CE1-OH 3.29Å; H84-Y86 AromaticContact CG-CE1 3.4Å; H84-Y86 VanDerWaalsContact CG-CE1 3.4Å; H84-Y86 AromaticContact CG-CZ 3.33Å; H84-Y86 VanDerWaalsContact CG-OH 3.26Å; H84-Y86 AromaticContact ND1-CZ 3.67Å; H84-Y86 PolarHBondContact ND1-OH 2.89Å; H84-Y86 PolarHBondContact NE2-OH 3.41Å; H84-E87 HydrophobicContact CB-CG 4.24Å; H84-E87 WeakPolarHBondContact CB-OE2 3.4Å; H84-E87 IonicContact CG-OE2 3.39Å; H84-E87 PolarHBondContact N-OE2 3.43Å; H84-E87 IonicContact ND1-OE2 2.91Å; H84-E87 PolarHBondContact ND1-OE2 3.21Å; H84-E87 WeakPolarHBondContact O-CB 3.38Å; H84-E87 PolarHBondContact O-N 3.22Å; H84-N89 PolarHBondContact O-ND2 2.85Å
85Y96.7Very high95.5Very high86 Ų8628.1 Ų28.134%0.33716%0.159SC..G310 helixtrans-68.1-34.3176.1-171.5-116000112.1E87 G88 N89 M91 M137 T139 T189Y85-E87 PolarHBondContact O-N 2.95Å; Y85-E87 VanDerWaalsContact O-N 3.16Å; Y85-G88 PolarHBondContact O-N 2.84Å; Y85-N89 WeakPolarHBondContact CD2-O 3.42Å; Y85-M91 HydrophobicContact CD1-CE 4.04Å; Y85-M91 HydrophobicContact CD2-CE 3.57Å; Y85-M91 HydrophobicContact CD2-CG 4.24Å; Y85-M91 HydrophobicContact CD2-SD 4.1Å; Y85-M91 HydrophobicContact CE2-CE 4.16Å; Y85-M91 HydrophobicContact CE2-CG 4.36Å; Y85-M91 HydrophobicContact CG-CE 3.52Å; Y85-M91 HydrophobicContact CG-SD 4.48Å; Y85-M137 HydrophobicContact CG-CE 4.47Å; Y85-T139 HydrophobicContact CE1-CG2 4.36Å; Y85-T139 HydrophobicContact CE2-CG2 4.45Å; Y85-T189 HydrophobicContact CD1-CG2 3.78Å; Y85-T189 HydrophobicContact CE1-CG2 3.99Å
86Y95.1Very high95.5Very high70 Ų7026.9 Ų26.928%0.27515%0.152SC..G310 helixtrans-65.8-14.1176.462.1-108.2000114.2V59 H84 G88 T189 P191 M212V59-Y86 HydrophobicContact CG2-CE2 4.2Å; H84-Y86 VanDerWaalsContact C-N 3.34Å; H84-Y86 HydrophobicContact CB-CD1 3.6Å; H84-Y86 HydrophobicContact CB-CD2 4.18Å; H84-Y86 HydrophobicContact CB-CE1 3.3Å; H84-Y86 HydrophobicContact CB-CE2 3.9Å; H84-Y86 HydrophobicContact CB-CG 4.03Å; H84-Y86 VanDerWaalsContact CB-CZ 3.45Å; H84-Y86 AromaticContact CD2-CE1 3.49Å; H84-Y86 VanDerWaalsContact CD2-CE1 3.49Å; H84-Y86 WeakPolarHBondContact CD2-CE1 3.36Å; H84-Y86 AromaticContact CD2-CZ 3.69Å; H84-Y86 PolarHBondContact CD2-OH 3.22Å; H84-Y86 PolarHBondContact CE1-OH 3Å; H84-Y86 VanDerWaalsContact CE1-OH 3.29Å; H84-Y86 AromaticContact CG-CE1 3.4Å; H84-Y86 VanDerWaalsContact CG-CE1 3.4Å; H84-Y86 AromaticContact CG-CZ 3.33Å; H84-Y86 VanDerWaalsContact CG-OH 3.26Å; H84-Y86 AromaticContact ND1-CZ 3.67Å; H84-Y86 PolarHBondContact ND1-OH 2.89Å; H84-Y86 PolarHBondContact NE2-OH 3.41Å; Y86-G88 PolarHBondContact O-N 2.86Å; Y86-T189 WeakPolarHBondContact CB-O 3.38Å; Y86-T189 WeakPolarHBondContact CD1-O 3.36Å; Y86-P191 HydrophobicContact CD2-CB 4.41Å; Y86-P191 HydrophobicContact CG-CB 4.31Å; Y86-M212 HydrophobicContact CD1-CB 3.91Å; Y86-M212 HydrophobicContact CD1-SD 4.22Å; Y86-M212 HydrophobicContact CE1-CB 3.85Å; Y86-M212 HydrophobicContact CE1-SD 4.26Å
87E93.3Very high95.5Very high41 Ų4127 Ų2719%0.19215%0.152CC..G310 helixtrans-75.8-2.8172.1-65.4174.879.600111.9T58 V59 H84 Y85 N89T58-E87 PolarHBondContact N-OE1 2.68Å; T58-E87 VanDerWaalsContact N-OE1 3.09Å; T58-E87 PolarHBondContact OG1-OE1 3.08Å; V59-E87 HydrophobicContact CG2-CG 3.84Å; V59-E87 WeakPolarHBondContact CG2-OE1 3.34Å; H84-E87 HydrophobicContact CB-CG 4.24Å; H84-E87 WeakPolarHBondContact CB-OE2 3.4Å; H84-E87 IonicContact CG-OE2 3.39Å; H84-E87 PolarHBondContact N-OE2 3.43Å; H84-E87 IonicContact ND1-OE2 2.91Å; H84-E87 PolarHBondContact ND1-OE2 3.21Å; H84-E87 WeakPolarHBondContact O-CB 3.38Å; H84-E87 PolarHBondContact O-N 3.22Å; Y85-E87 PolarHBondContact O-N 2.95Å; Y85-E87 VanDerWaalsContact O-N 3.16Å; E87-N89 VanDerWaalsContact C-N 3.34Å; E87-N89 WeakPolarHBondContact CB-ND2 3.3Å
88G93.6Very high95.4Very high67 Ų6727 Ų2769%0.69115%0.152SC*.THydrogen-bonded Turntrans86.54.8-17500000113.7Y85 Y86Y85-G88 PolarHBondContact O-N 2.84Å; Y86-G88 PolarHBondContact O-N 2.86Å
89N94.8Very high95.4Very high31 Ų3128.2 Ų28.217%0.16616%0.157CC..  trans-68.8135.5176.2-68-52.9000110.8H84 Y85 E87 T93 V94H84-N89 PolarHBondContact O-ND2 2.85Å; Y85-N89 WeakPolarHBondContact CD2-O 3.42Å; E87-N89 VanDerWaalsContact C-N 3.34Å; E87-N89 WeakPolarHBondContact CB-ND2 3.3Å; N89-T93 HydrophobicContact CB-CG2 3.99Å; N89-V94 HydrophobicContact CB-CG2 3.93Å
90P95.4Very high95.5Very high70 Ų7028.2 Ų28.246%0.45516%0.157SC..  trans-67.9158.9167.626.8-28.9000111.1D92 T93 V94P90-D92 VanDerWaalsContact C-N 3.27Å; P90-D92 WeakPolarHBondContact CB-OD1 3.21Å; P90-D92 WeakPolarHBondContact CG-OD1 3.36Å; P90-D92 PolarHBondContact O-N 2.89Å; P90-T93 WeakPolarHBondContact CG-OG1 3.27Å; P90-T93 VanDerWaalsContact O-CB 3.28Å; P90-T93 WeakPolarHBondContact O-CB 3.31Å; P90-T93 PolarHBondContact O-N 3.42Å; P90-V94 PolarHBondContact O-N 2.78Å; P90-V94 VanDerWaalsContact O-N 3.09Å
91M96.8Very high95.6Very high13 Ų1327.4 Ų27.46%0.06415%0.153CC..Hα-helixtrans-66-27.9-172.5-76.7-63.6178.200113.9Y85 T93 V94 T95 M137 T139 P141 P216Y85-M91 HydrophobicContact CD1-CE 4.04Å; Y85-M91 HydrophobicContact CD2-CE 3.57Å; Y85-M91 HydrophobicContact CD2-CG 4.24Å; Y85-M91 HydrophobicContact CD2-SD 4.1Å; Y85-M91 HydrophobicContact CE2-CE 4.16Å; Y85-M91 HydrophobicContact CE2-CG 4.36Å; Y85-M91 HydrophobicContact CG-CE 3.52Å; Y85-M91 HydrophobicContact CG-SD 4.48Å; M91-T93 VanDerWaalsContact C-N 3.31Å; M91-V94 PolarHBondContact O-N 2.71Å; M91-T95 WeakPolarHBondContact O-CB 3.33Å; M91-T95 WeakPolarHBondContact O-CG2 3.25Å; M91-T95 PolarHBondContact O-N 3.27Å; M91-T95 PolarHBondContact O-OG1 3.42Å; M91-M137 HydrophobicContact CE-CB 4.45Å; M91-M137 HydrophobicContact CE-CE 3.73Å; M91-M137 HydrophobicContact CE-SD 3.9Å; M91-T139 HydrophobicContact CE-CG2 3.28Å; M91-T139 HydrophobicContact CG-CG2 3.86Å; M91-T139 HydrophobicContact SD-CG2 4.38Å; M91-P141 HydrophobicContact CB-CB 3.97Å; M91-P216 HydrophobicContact CE-CG 3.97Å; M91-P216 HydrophobicContact SD-CB 3.84Å; M91-P216 HydrophobicContact SD-CG 3.7Å
92D94.4Very high96Very high93 Ų9328.7 Ų28.750%0.49716%0.163SC..Hα-helixtrans-62.7-39171.959-10.5000111.6P90 Y96P90-D92 VanDerWaalsContact C-N 3.27Å; P90-D92 WeakPolarHBondContact CB-OD1 3.21Å; P90-D92 WeakPolarHBondContact CG-OD1 3.36Å; P90-D92 PolarHBondContact O-N 2.89Å; D92-Y96 WeakPolarHBondContact O-CA 3.42Å; D92-Y96 VanDerWaalsContact O-CB 3.3Å; D92-Y96 WeakPolarHBondContact O-CB 3.35Å; D92-Y96 PolarHBondContact O-N 2.89Å
93T95Very high96.1Very high36 Ų3630.6 Ų30.622%0.22118%0.18CC..Hα-helixtrans-67.6-46.6174.9-62.20000110.7P55 N89 P90 M91 T95 Y96P55-T93 HydrophobicContact CB-CG2 3.49Å; P55-T93 VanDerWaalsContact CB-CG2 3.49Å; P55-T93 HydrophobicContact CG-CG2 3.44Å; P55-T93 VanDerWaalsContact CG-CG2 3.44Å; P55-T93 WeakPolarHBondContact CG-O 3.42Å; N89-T93 HydrophobicContact CB-CG2 3.99Å; P90-T93 WeakPolarHBondContact CG-OG1 3.27Å; P90-T93 VanDerWaalsContact O-CB 3.28Å; P90-T93 WeakPolarHBondContact O-CB 3.31Å; P90-T93 PolarHBondContact O-N 3.42Å; M91-T93 VanDerWaalsContact C-N 3.31Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.83Å; T93-Y96 PolarHBondContact O-N 3.39Å
94V96.6Very high96.3Very high4 Ų431.4 Ų31.42%0.02418%0.184CC..Hα-helixtrans-57.8-40.7178172.40000111.7N89 P90 M91 P216N89-V94 HydrophobicContact CB-CG2 3.93Å; P90-V94 PolarHBondContact O-N 2.78Å; P90-V94 VanDerWaalsContact O-N 3.09Å; M91-V94 PolarHBondContact O-N 2.71Å; V94-P216 HydrophobicContact CG1-CB 4.23Å
95T97.8Very high96.3Very high6 Ų633.7 Ų33.74%0.03721%0.21CC..Hα-helixtrans-100-3.6-172.660.80000114.4M91 T93 P97 V98 R99 P141 P216 V220M91-T95 WeakPolarHBondContact O-CB 3.33Å; M91-T95 WeakPolarHBondContact O-CG2 3.25Å; M91-T95 PolarHBondContact O-N 3.27Å; M91-T95 PolarHBondContact O-OG1 3.42Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.83Å; T95-P97 VanDerWaalsContact C-N 3.32Å; T95-V98 WeakPolarHBondContact O-CB 3.3Å; T95-V98 PolarHBondContact O-N 2.81Å; T95-R99 PolarHBondContact O-N 3.1Å; T95-P141 HydrophobicContact CG2-CB 3.82Å; T95-P141 HydrophobicContact CG2-CG 4.28Å; T95-P216 HydrophobicContact CG2-CB 3.58Å; T95-P216 WeakPolarHBondContact CG2-O 3.3Å; T95-V220 HydrophobicContact CG2-CB 4.24Å; T95-V220 HydrophobicContact CG2-CG2 3.75Å
96Y97.5Very high96.3Very high13 Ų1330 Ų305%0.05120%0.195CC..Hα-helixtrans-49.9-44.9178-169.5-101.9000113.2L4 K7 I8 T11 H53 F54 D92 T93 V98 R99 V100L4-Y96 HydrophobicContact CD1-CD2 4.13Å; L4-Y96 HydrophobicContact CD1-CE2 4.01Å; K7-Y96 HydrophobicContact CB-CE2 4.45Å; K7-Y96 PolarHBondContact O-OH 3.26Å; I8-Y96 WeakPolarHBondContact CA-OH 3.32Å; I8-Y96 HydrophobicContact CG1-CD2 4.42Å; I8-Y96 HydrophobicContact CG1-CE2 3.73Å; I8-Y96 PolarHBondContact N-OH 3.04Å; T11-Y96 HydrophobicContact CG2-CE1 4.17Å; T11-Y96 PolarHBondContact OG1-OH 2.9Å; H53-Y96 HydrophobicContact CB-CE1 4.21Å; H53-Y96 WeakPolarHBondContact CB-OH 3.16Å; F54-Y96 AromaticContact CD2-CD1 3.98Å; F54-Y96 HydrophobicContact CD2-CD1 3.98Å; F54-Y96 HydrophobicContact CD2-CE1 4.03Å; F54-Y96 HydrophobicContact CE2-CD1 4.29Å; D92-Y96 WeakPolarHBondContact O-CA 3.42Å; D92-Y96 VanDerWaalsContact O-CB 3.3Å; D92-Y96 WeakPolarHBondContact O-CB 3.35Å; D92-Y96 PolarHBondContact O-N 2.89Å; T93-Y96 PolarHBondContact O-N 3.39Å; Y96-V98 VanDerWaalsContact C-N 3.28Å; Y96-V98 PolarHBondContact O-N 2.87Å; Y96-R99 WeakPolarHBondContact O-CB 3.26Å; Y96-R99 PolarHBondContact O-N 2.91Å; Y96-R99 VanDerWaalsContact O-N 3.1Å; Y96-V100 HydrophobicContact CD1-CG2 3.77Å; Y96-V100 HydrophobicContact CE1-CG2 3.43Å; Y96-V100 VanDerWaalsContact CE1-CG2 3.43Å; Y96-V100 WeakPolarHBondContact O-CG2 3.21Å; Y96-V100 PolarHBondContact O-N 2.83Å
97P97.3Very high96.2Very high1 Ų131 Ų311%0.00620%0.203CC..Hα-helixtrans-60-36.2179.6-27.639.3000113.7F54 M79 F83 T95 R99 V100 M101F54-P97 HydrophobicContact CE1-CB 4.39Å; F54-P97 HydrophobicContact CE1-CG 3.99Å; F54-P97 HydrophobicContact CE2-CB 4.31Å; F54-P97 HydrophobicContact CE2-CG 4.32Å; F54-P97 HydrophobicContact CZ-CB 3.69Å; F54-P97 HydrophobicContact CZ-CG 3.69Å; M79-P97 HydrophobicContact CE-CB 3.56Å; M79-P97 HydrophobicContact CE-CG 3.56Å; M79-P97 HydrophobicContact CG-CB 4.5Å; M79-P97 HydrophobicContact SD-CB 3.34Å; M79-P97 WeakPolarHBondContact SD-CB 3.36Å; M79-P97 HydrophobicContact SD-CG 4.07Å; F83-P97 HydrophobicContact CD2-CG 3.91Å; F83-P97 HydrophobicContact CE2-CG 3.51Å; T95-P97 VanDerWaalsContact C-N 3.32Å; P97-R99 VanDerWaalsContact C-N 3.32Å; P97-R99 PolarHBondContact O-N 3.17Å; P97-V100 PolarHBondContact O-N 3.38Å; P97-M101 VanDerWaalsContact O-CG 3.27Å; P97-M101 WeakPolarHBondContact O-CG 3.43Å; P97-M101 PolarHBondContact O-N 3.38Å
98V98.2Very high96.5Very high2 Ų229.1 Ų29.11%0.01219%0.194CC..Hα-helixtrans-65.6-39.4178.4-1770000110.5I28 T95 Y96 M101 A102 E217 V220 A221 L226I28-V98 HydrophobicContact CD1-CG2 3.95Å; T95-V98 WeakPolarHBondContact O-CB 3.3Å; T95-V98 PolarHBondContact O-N 2.81Å; Y96-V98 VanDerWaalsContact C-N 3.28Å; Y96-V98 PolarHBondContact O-N 2.87Å; V98-M101 PolarHBondContact O-N 3.33Å; V98-A102 WeakPolarHBondContact O-CB 3.3Å; V98-A102 PolarHBondContact O-N 2.89Å; V98-E217 HydrophobicContact CG2-CB 3.76Å; V98-E217 HydrophobicContact CG2-CG 3.88Å; V98-V220 HydrophobicContact CB-CG1 3.93Å; V98-V220 HydrophobicContact CG1-CB 4.46Å; V98-V220 HydrophobicContact CG1-CG1 3.87Å; V98-A221 HydrophobicContact CG1-CB 3.97Å; V98-L226 HydrophobicContact CG1-CD1 4.11Å
99R97.7Very high96.7Very high26 Ų2626 Ų2610%0.09816%0.161CC..Hα-helixtrans-65-41.3174.6-63-59.6-164.3172.70.7112.1I8 T95 Y96 P97 A102 A103 M150 V220 H223 S224I8-R99 HydrophobicContact CD1-CB 3.66Å; I8-R99 HydrophobicContact CD1-CG 4.26Å; I8-R99 HydrophobicContact CG1-CB 4.13Å; T95-R99 PolarHBondContact O-N 3.1Å; Y96-R99 WeakPolarHBondContact O-CB 3.26Å; Y96-R99 PolarHBondContact O-N 2.91Å; Y96-R99 VanDerWaalsContact O-N 3.1Å; P97-R99 VanDerWaalsContact C-N 3.32Å; P97-R99 PolarHBondContact O-N 3.17Å; R99-A102 PolarHBondContact O-N 3.47Å; R99-A103 PolarHBondContact O-N 2.93Å; R99-M150 HydrophobicContact CB-CE 4.35Å; R99-M150 VanDerWaalsContact CD-CE 3.44Å; R99-M150 HydrophobicContact CG-CE 3.93Å; R99-M150 PolarHBondContact NH1-O 3.36Å; R99-M150 VanDerWaalsContact NH1-O 3.15Å; R99-V220 VanDerWaalsContact CD-CG1 3.48Å; R99-V220 HydrophobicContact CG-CG1 3.86Å; R99-V220 VanDerWaalsContact NE-CG1 3.31Å; R99-H223 PolarHBondContact NH1-ND1 3.19Å; R99-H223 PolarHBondContact NH2-CE1 3.08Å; R99-H223 PolarHBondContact NH2-ND1 3.36Å; R99-S224 PolarHBondContact NH1-OG 3.47Å
100V97.7Very high96.9Very high2 Ų224.6 Ų24.61%0.01215%0.154CC..Hα-helixtrans-62.9-46.1175.2171.50000110.8T11 I15 F54 Y96 P97 A102 A103 L104T11-V100 HydrophobicContact CG2-CB 4.37Å; T11-V100 HydrophobicContact CG2-CG1 3.75Å; T11-V100 HydrophobicContact CG2-CG2 3.64Å; I15-V100 HydrophobicContact CD1-CG1 3.54Å; F54-V100 HydrophobicContact CE2-CB 4.4Å; F54-V100 HydrophobicContact CE2-CG1 4.4Å; F54-V100 HydrophobicContact CE2-CG2 4.23Å; Y96-V100 HydrophobicContact CD1-CG2 3.77Å; Y96-V100 HydrophobicContact CE1-CG2 3.43Å; Y96-V100 VanDerWaalsContact CE1-CG2 3.43Å; Y96-V100 WeakPolarHBondContact O-CG2 3.21Å; Y96-V100 PolarHBondContact O-N 2.83Å; P97-V100 PolarHBondContact O-N 3.38Å; V100-A102 VanDerWaalsContact C-N 3.33Å; V100-A102 PolarHBondContact O-N 2.85Å; V100-A103 PolarHBondContact O-N 2.89Å; V100-A103 VanDerWaalsContact O-N 3.16Å; V100-L104 HydrophobicContact CG1-CD1 4.17Å; V100-L104 WeakPolarHBondContact O-CG 3.35Å; V100-L104 PolarHBondContact O-N 3.13Å
101M97.8Very high97Very high2 Ų221.3 Ų21.31%0.0113%0.132CC..Hα-helixtrans-59.6-44.4175.9-69176.5179.200111.4L77 M79 P97 V98 A103 L104 G105 I106L77-M101 HydrophobicContact CD2-CG 4.16Å; M79-M101 HydrophobicContact CG-CE 3.46Å; M79-M101 VanDerWaalsContact CG-CE 3.46Å; M79-M101 HydrophobicContact SD-CE 3.57Å; M79-M101 VanDerWaalsContact SD-CE 3.57Å; P97-M101 VanDerWaalsContact O-CG 3.27Å; P97-M101 WeakPolarHBondContact O-CG 3.43Å; P97-M101 PolarHBondContact O-N 3.38Å; V98-M101 PolarHBondContact O-N 3.33Å; M101-A103 VanDerWaalsContact C-N 3.3Å; M101-A103 PolarHBondContact O-N 3Å; M101-L104 WeakPolarHBondContact O-CB 3.34Å; M101-L104 PolarHBondContact O-N 3Å; M101-L104 VanDerWaalsContact O-N 3.1Å; M101-G105 PolarHBondContact O-N 2.65Å; M101-I106 HydrophobicContact CB-CD1 3.47Å; M101-I106 VanDerWaalsContact CB-CD1 3.47Å; M101-I106 HydrophobicContact CB-CG1 3.92Å; M101-I106 HydrophobicContact CB-CG2 4.31Å; M101-I106 HydrophobicContact CG-CD1 4.35Å; M101-I106 WeakPolarHBondContact O-CG1 3.35Å; M101-I106 PolarHBondContact O-N 3.49Å; M101-I106 HydrophobicContact SD-CD1 4.24Å
102A97.3Very high97Very high29 Ų2920.7 Ų20.724%0.2413%0.13CC..Hα-helixtrans-58.7-42.2175.200000111.8V98 R99 V100 L104 G105 L226V98-A102 WeakPolarHBondContact O-CB 3.3Å; V98-A102 PolarHBondContact O-N 2.89Å; R99-A102 PolarHBondContact O-N 3.47Å; V100-A102 VanDerWaalsContact C-N 3.33Å; V100-A102 PolarHBondContact O-N 2.85Å; A102-L104 VanDerWaalsContact C-N 3.29Å; A102-L104 PolarHBondContact O-N 2.89Å; A102-G105 PolarHBondContact O-N 3.08Å; A102-L226 HydrophobicContact CB-CD1 4.25Å; A102-L226 HydrophobicContact CB-CD2 4.41Å
103A96.2Very high97.1Very high42 Ų4216.4 Ų16.435%0.34711%0.107SC..Hα-helixtrans-67.7-26.2175.900000113.8I8 A12 R99 V100 M101 G105I8-A103 HydrophobicContact CG2-CB 3.43Å; I8-A103 VanDerWaalsContact CG2-CB 3.43Å; A12-A103 HydrophobicContact CB-CB 4.12Å; R99-A103 PolarHBondContact O-N 2.93Å; V100-A103 PolarHBondContact O-N 2.89Å; V100-A103 VanDerWaalsContact O-N 3.16Å; M101-A103 VanDerWaalsContact C-N 3.3Å; M101-A103 PolarHBondContact O-N 3Å; A103-G105 PolarHBondContact O-N 3.02Å
104L97.3Very high97.1Very high17 Ų1715.8 Ų15.89%0.08911%0.105CC..THydrogen-bonded Turntrans-74.6-5.5170.1-68.8169.1000113.1A12 I15 Q16 L77 V100 M101 A102A12-L104 HydrophobicContact CB-CD2 3.98Å; A12-L104 HydrophobicContact CB-CG 4.24Å; A12-L104 WeakPolarHBondContact O-CD2 3.04Å; I15-L104 HydrophobicContact CB-CD1 4.39Å; I15-L104 HydrophobicContact CB-CD2 4.31Å; I15-L104 HydrophobicContact CD1-CD1 4.26Å; I15-L104 HydrophobicContact CG2-CD1 3.74Å; I15-L104 HydrophobicContact CG2-CD2 4.08Å; Q16-L104 HydrophobicContact CG-CD2 3.66Å; L77-L104 HydrophobicContact CD2-CD1 3.63Å; V100-L104 HydrophobicContact CG1-CD1 4.17Å; V100-L104 WeakPolarHBondContact O-CG 3.35Å; V100-L104 PolarHBondContact O-N 3.13Å; M101-L104 WeakPolarHBondContact O-CB 3.34Å; M101-L104 PolarHBondContact O-N 3Å; M101-L104 VanDerWaalsContact O-N 3.1Å; A102-L104 VanDerWaalsContact C-N 3.29Å; A102-L104 PolarHBondContact O-N 2.89Å
105G95.7Very high97Very high56 Ų5615.7 Ų15.758%0.57711%0.105SC*.THydrogen-bonded Turntrans87.121.2174.800000115M101 A102 A103M101-G105 PolarHBondContact O-N 2.65Å; A102-G105 PolarHBondContact O-N 3.08Å; A103-G105 PolarHBondContact O-N 3.02Å
106I96.9Very high96.9Very high8 Ų815.7 Ų15.74%0.04111%0.106CC..  trans-61.9149.717271.4164000110.4V23 M101 S108 V109 L226V23-I106 HydrophobicContact CB-CG2 3.76Å; V23-I106 HydrophobicContact CG1-CG2 3.47Å; V23-I106 VanDerWaalsContact CG1-CG2 3.47Å; M101-I106 HydrophobicContact CB-CD1 3.47Å; M101-I106 VanDerWaalsContact CB-CD1 3.47Å; M101-I106 HydrophobicContact CB-CG1 3.92Å; M101-I106 HydrophobicContact CB-CG2 4.31Å; M101-I106 HydrophobicContact CG-CD1 4.35Å; M101-I106 WeakPolarHBondContact O-CG1 3.35Å; M101-I106 PolarHBondContact O-N 3.49Å; M101-I106 HydrophobicContact SD-CD1 4.24Å; I106-S108 WeakPolarHBondContact CD1-O 3.45Å; I106-V109 HydrophobicContact CD1-CB 4.4Å; I106-L226 HydrophobicContact CD1-CD1 3.72Å; I106-L226 HydrophobicContact CD1-CD2 4.38Å; I106-L226 HydrophobicContact CG1-CD1 4.04Å; I106-L226 HydrophobicContact CG1-CD2 3.86Å; I106-L226 WeakPolarHBondContact O-CD2 3.43Å
107H93.6Very high96.9Very high93 Ų9315.1 Ų15.143%0.43110%0.104SC..SBendtrans-99.5-20.9171.755.9-90.9000112.3A24 F25 K227A24-H107 PolarHBondContact O-CE1 3.29Å; A24-H107 PolarHBondContact O-ND1 3.03Å; A24-H107 VanDerWaalsContact O-ND1 3.08Å; A24-H107 PolarHBondContact O-NE2 3.49Å; F25-H107 AromaticContact CE2-NE2 3.82Å; F25-H107 AromaticContact CZ-NE2 3.67Å; H107-K227 PolarHBondContact O-N 3.09Å
108S97.9Very high96.9Very high0 Ų015 Ų150%010%0.104CC..EExtended strand (participates in β ladder)trans-145.4146.1-168.9-69.20000113.7F25 G26 I106 Y165 K227F25-S108 WeakPolarHBondContact CA-O 3.46Å; F25-S108 VanDerWaalsContact CE1-CB 3.47Å; G26-S108 PolarHBondContact N-O 2.62Å; I106-S108 WeakPolarHBondContact CD1-O 3.45Å; S108-Y165 WeakPolarHBondContact OG-CE2 3.46Å; S108-Y165 PolarHBondContact OG-OH 3.28Å; S108-K227 CarbonylContact C-O 3.56Å; S108-K227 VanDerWaalsContact CA-O 3.26Å; S108-K227 WeakPolarHBondContact CA-O 3.45Å
109V98.5Very high96.9Very high1 Ų117.5 Ų17.51%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-125133.4171.965.70000111G26 I28 I106 V111 A221 K227 V228 L229G26-V109 CarbonylContact O-C 3.53Å; G26-V109 VanDerWaalsContact O-CA 3.3Å; G26-V109 WeakPolarHBondContact O-CA 3.38Å; I28-V109 HydrophobicContact CD1-CG2 4.14Å; I28-V109 HydrophobicContact CG1-CG2 4.02Å; I106-V109 HydrophobicContact CD1-CB 4.4Å; V109-V111 HydrophobicContact CG1-CG1 4.46Å; V109-V111 HydrophobicContact CG2-CG1 4Å; V109-A221 HydrophobicContact CG1-CB 3.78Å; V109-K227 PolarHBondContact N-O 2.72Å; V109-V228 HydrophobicContact CG1-CB 4.43Å; V109-V228 HydrophobicContact CG1-CG1 4.42Å; V109-V228 HydrophobicContact CG1-CG2 3.87Å; V109-V228 WeakPolarHBondContact O-CA 3.23Å; V109-L229 PolarHBondContact O-N 3.36Å
110V98.5Very high96.7Very high3 Ų322.7 Ų22.72%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-102.3118.2168.2-175.40000107.9F25 G26 L27 I28 T112 L229 I265F25-V110 HydrophobicContact CD1-CG2 4.44Å; G26-V110 PolarHBondContact O-N 3.41Å; L27-V110 WeakPolarHBondContact CA-O 3.45Å; L27-V110 HydrophobicContact CD2-CB 3.66Å; L27-V110 HydrophobicContact CD2-CG2 3.75Å; I28-V110 PolarHBondContact N-O 3.24Å; V110-T112 HydrophobicContact CG1-CG2 4.2Å; V110-L229 CarbonylContact C-O 3.53Å; V110-L229 WeakPolarHBondContact CA-O 3.48Å; V110-L229 HydrophobicContact CG1-CD2 4.18Å; V110-L229 HydrophobicContact CG1-CG 4.46Å; V110-L229 HydrophobicContact CG2-CB 4.39Å; V110-L229 HydrophobicContact CG2-CD2 4.3Å; V110-I265 HydrophobicContact CG1-CD1 4.15Å
111V98.5Very high96.6Very high0 Ų025 Ų250%017%0.167CC..EExtended strand (participates in β ladder)trans-105.3129.7179-62.40000110.3I28 V109 T214 V218 V228 L229 G230 I231I28-V111 HydrophobicContact CB-CG1 4.41Å; I28-V111 HydrophobicContact CD1-CG1 4.01Å; I28-V111 HydrophobicContact CG1-CG1 4.34Å; V109-V111 HydrophobicContact CG1-CG1 4.46Å; V109-V111 HydrophobicContact CG2-CG1 4Å; V111-T214 HydrophobicContact CB-CG2 4.05Å; V111-T214 HydrophobicContact CG2-CG2 3.61Å; V111-V218 HydrophobicContact CG1-CG2 4.5Å; V111-V218 HydrophobicContact CG2-CG2 3.97Å; V111-V228 HydrophobicContact CG2-CG1 4.18Å; V111-L229 PolarHBondContact N-O 3.17Å; V111-G230 WeakPolarHBondContact O-CA 3.45Å; V111-I231 PolarHBondContact O-N 3.35Å
112T97.6Very high96.5Very high1 Ų125.2 Ų25.21%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-126.3147.5178.978.90000111.4I28 L29 G30 L33 R82 V110 I231 F261I28-T112 PolarHBondContact O-N 3.19Å; I28-T112 PolarHBondContact O-OG1 2.74Å; I28-T112 VanDerWaalsContact O-OG1 3.08Å; L29-T112 WeakPolarHBondContact CA-OG1 2.95Å; G30-T112 PolarHBondContact N-O 2.87Å; G30-T112 PolarHBondContact N-OG1 2.84Å; L33-T112 WeakPolarHBondContact CD1-OG1 3.38Å; R82-T112 PolarHBondContact NH1-O 3.31Å; V110-T112 HydrophobicContact CG1-CG2 4.2Å; T112-I231 VanDerWaalsContact CA-O 3.27Å; T112-I231 WeakPolarHBondContact CA-O 3.48Å; T112-F261 HydrophobicContact CG2-CE2 3.89Å; T112-F261 HydrophobicContact CG2-CZ 3.79Å
113N96Very high96.4Very high2 Ų229 Ų291%0.01118%0.18CC..EExtended strand (participates in β ladder)trans-152.4159.2-179.363.378.7000111.7Y185 T214 I231 S232 C233N113-Y185 VanDerWaalsContact OD1-CE2 3.28Å; N113-Y185 WeakPolarHBondContact OD1-CE2 3.24Å; N113-T214 PolarHBondContact ND2-OG1 3.3Å; N113-I231 PolarHBondContact N-O 3.18Å; N113-S232 VanDerWaalsContact CG-OG 3.22Å; N113-S232 PolarHBondContact ND2-OG 3.05Å; N113-S232 CarbonylContact O-C 3.57Å; N113-S232 WeakPolarHBondContact O-CA 3.27Å; N113-S232 VanDerWaalsContact OD1-CB 3.31Å; N113-S232 WeakPolarHBondContact OD1-CB 3.39Å; N113-S232 PolarHBondContact OD1-OG 2.67Å; N113-C233 PolarHBondContact O-N 3.16Å
114A93.8Very high96.2Very high23 Ų2328.6 Ų28.619%0.1917%0.174CC..EExtended strand (participates in β ladder)trans-85.7140.2158.900000109T235 V250A114-T235 HydrophobicContact CB-CG2 3.59Å; A114-V250 HydrophobicContact CB-CG1 3.98Å
115A95.5Very high96Very high2 Ų228.5 Ų28.52%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-142.3150.8-178.300000112.3Y185 A209 V210 C233 I234 T235A115-Y185 HydrophobicContact CB-CE2 4.05Å; A115-A209 HydrophobicContact CB-CB 3.96Å; A115-V210 CarbonylContact C-O 3.57Å; A115-V210 VanDerWaalsContact CA-O 3.26Å; A115-V210 WeakPolarHBondContact CA-O 3.43Å; A115-V210 WeakPolarHBondContact CB-O 3.46Å; A115-C233 PolarHBondContact N-O 3.09Å; A115-I234 HydrophobicContact CB-CD1 4.35Å; A115-I234 CarbonylContact O-C 3.56Å; A115-I234 WeakPolarHBondContact O-CA 3.48Å; A115-T235 PolarHBondContact O-N 2.93Å; A115-T235 PolarHBondContact O-OG1 2.89Å
116G95.9Very high96.1Very high7 Ų727.2 Ų27.27%0.07216%0.157CC..EExtended strand (participates in β ladder)trans-81.3133.6166.800000110.9V118 A209 V210 N236G116-V118 PolarHBondContact O-N 3.2Å; G116-A209 CarbonylContact O-C 3.52Å; G116-A209 VanDerWaalsContact O-CA 3.27Å; G116-A209 WeakPolarHBondContact O-CA 3.33Å; G116-V210 PolarHBondContact N-O 3.44Å; G116-V210 PolarHBondContact O-N 2.87Å; G116-N236 CarbonylContact C-O 3.55Å; G116-N236 WeakPolarHBondContact CA-O 3.39Å
117G97Very high96.1Very high0 Ų027.1 Ų27.10%016%0.157CC..EExtended strand (participates in β ladder)trans-73.3115.9175.500000111.3N236 A238G117-N236 PolarHBondContact N-O 3.43Å; G117-A238 WeakPolarHBondContact O-CB 3.41Å; G117-A238 PolarHBondContact O-N 3.34Å
118V97.7Very high96.4Very high0 Ų022.7 Ų22.70%014%0.136CC..  trans-93-34.9175.5178.80000110.7G116 I199 A202 R203 A207 D208 V210 A238G116-V118 PolarHBondContact O-N 3.2Å; V118-I199 HydrophobicContact CG1-CG2 4.3Å; V118-I199 HydrophobicContact CG2-CD1 4.45Å; V118-A202 HydrophobicContact CG1-CB 4.24Å; V118-R203 HydrophobicContact CG1-CB 3.7Å; V118-R203 HydrophobicContact CG1-CG 4.39Å; V118-R203 PolarHBondContact O-NE 2.97Å; V118-R203 PolarHBondContact O-NH2 2.8Å; V118-A207 VanDerWaalsContact CG1-O 3.29Å; V118-A207 WeakPolarHBondContact CG1-O 3.38Å; V118-D208 WeakPolarHBondContact CA-O 3.45Å; V118-D208 WeakPolarHBondContact CB-O 3.3Å; V118-D208 PolarHBondContact N-O 3.11Å; V118-V210 HydrophobicContact CG2-CB 3.89Å; V118-V210 HydrophobicContact CG2-CG1 3.78Å; V118-A238 HydrophobicContact CG2-CB 4.3Å
119N96.8Very high96.4Very high54 Ų5422.7 Ų22.729%0.28914%0.136SC..SBendtrans-66.3129.2173.4-169.8-49000110.2G121 F122 D208N119-G121 PolarHBondContact O-N 3.36Å; N119-G121 PolarHBondContact OD1-N 3.29Å; N119-F122 HydrophobicContact CB-CD1 3.99Å; N119-F122 HydrophobicContact CB-CD2 3.84Å; N119-F122 HydrophobicContact CB-CE1 4.02Å; N119-F122 HydrophobicContact CB-CE2 3.88Å; N119-F122 HydrophobicContact CB-CG 3.89Å; N119-F122 HydrophobicContact CB-CZ 3.98Å; N119-F122 PolarHBondContact O-N 2.98Å; N119-F122 VanDerWaalsContact O-N 3.17Å; N119-D208 HydrophobicContact CB-CB 4.07Å; N119-D208 PolarHBondContact N-O 2.83Å; N119-D208 PolarHBondContact ND2-OD1 2.97Å
120E94.7Very high96.4Very high134 Ų13422.7 Ų22.763%0.62614%0.136SC*.THydrogen-bonded Turntrans-70.2-15.9-176.2-63.9179.2178.600113.4R203 M241E120-R203 IonicContact OE1-CZ 3.87Å; E120-R203 VanDerWaalsContact OE1-CZ 3.31Å; E120-R203 IonicContact OE1-NE 2.71Å; E120-R203 IonicContact OE1-NH1 2.77Å; E120-R203 PolarHBondContact OE1-NH1 3.43Å; E120-M241 HydrophobicContact CB-CE 4.43Å; E120-M241 HydrophobicContact CG-CE 4.11Å
121G95.7Very high96.4Very high52 Ų5224.5 Ų24.554%0.53615%0.148SC..THydrogen-bonded Turntrans-82.1-15.4173.200000114.4N119N119-G121 PolarHBondContact O-N 3.36Å; N119-G121 PolarHBondContact OD1-N 3.29Å
122F96.3Very high96.4Very high5 Ų528.2 Ų28.22%0.02217%0.167CC..  trans-77.6155.1-178.7-68.3-3000112.2N119 N126 M128 Q181 D208 I234 L237N119-F122 HydrophobicContact CB-CD1 3.99Å; N119-F122 HydrophobicContact CB-CD2 3.84Å; N119-F122 HydrophobicContact CB-CE1 4.02Å; N119-F122 HydrophobicContact CB-CE2 3.88Å; N119-F122 HydrophobicContact CB-CG 3.89Å; N119-F122 HydrophobicContact CB-CZ 3.98Å; N119-F122 PolarHBondContact O-N 2.98Å; N119-F122 VanDerWaalsContact O-N 3.17Å; F122-N126 WeakPolarHBondContact CA-OD1 3.49Å; F122-M128 HydrophobicContact CE2-CG 4.09Å; F122-M128 HydrophobicContact CE2-SD 3.49Å; F122-M128 WeakPolarHBondContact CE2-SD 3.22Å; F122-M128 HydrophobicContact CZ-CG 4.08Å; F122-M128 HydrophobicContact CZ-SD 3.88Å; F122-Q181 HydrophobicContact CD1-CB 4.19Å; F122-Q181 HydrophobicContact CD1-CG 3.96Å; F122-Q181 HydrophobicContact CE1-CB 3.61Å; F122-Q181 HydrophobicContact CE1-CG 3.88Å; F122-Q181 HydrophobicContact CZ-CB 3.92Å; F122-D208 HydrophobicContact CE2-CB 3.76Å; F122-D208 WeakPolarHBondContact CE2-O 3.4Å; F122-D208 HydrophobicContact CZ-CB 3.9Å; F122-I234 HydrophobicContact CB-CG2 4.45Å; F122-I234 HydrophobicContact CD2-CD1 3.92Å; F122-I234 HydrophobicContact CD2-CG1 3.96Å; F122-I234 HydrophobicContact CE2-CD1 4.26Å; F122-L237 VanDerWaalsContact O-CD2 3.32Å; F122-L237 WeakPolarHBondContact O-CD2 3.4Å
123Q93.9Very high96.5Very high108 Ų10829.5 Ų29.551%0.50517%0.173SC..  trans-130.4148.7176.6-62-61.6-35.600110.1G125 N126Q123-G125 PolarHBondContact O-N 3.32Å; Q123-N126 PolarHBondContact N-OD1 3.16Å; Q123-N126 WeakPolarHBondContact O-CB 3.42Å; Q123-N126 PolarHBondContact O-N 2.76Å; Q123-N126 PolarHBondContact O-OD1 3.2Å
124P93.2Very high96.6Very high35 Ų3531.2 Ų31.223%0.22718%0.182CC..THydrogen-bonded Turntrans-53.1127.3169-25.735.5000111.1I234 L237 T253 R256P124-I234 CarbonylContact C-O 3.54Å; P124-I234 WeakPolarHBondContact CA-O 3.34Å; P124-L237 HydrophobicContact CG-CD2 4.49Å; P124-L237 HydrophobicContact CG-CG 4.2Å; P124-T253 HydrophobicContact CB-CG2 4.18Å; P124-R256 PolarHBondContact O-NH2 3.43Å
125G93.3Very high96.9Very high15 Ų1532.8 Ų32.816%0.15519%0.187CC..THydrogen-bonded Turntrans99.4-9-174.900000114.6Q123 L127 I234 T253 V257Q123-G125 PolarHBondContact O-N 3.32Å; G125-L127 PolarHBondContact O-N 2.89Å; G125-I234 PolarHBondContact N-O 3.32Å; G125-T253 VanDerWaalsContact N-CG2 3.34Å; G125-V257 VanDerWaalsContact CA-CG1 3.48Å; G125-V257 WeakPolarHBondContact O-CG1 3.26Å
126N96.7Very high97Very high29 Ų2936.7 Ų36.716%0.15520%0.204CC..  trans-61.7138.9169.8-72.6154.9000110.8F122 Q123 Q181 I234F122-N126 WeakPolarHBondContact CA-OD1 3.49Å; Q123-N126 PolarHBondContact N-OD1 3.16Å; Q123-N126 WeakPolarHBondContact O-CB 3.42Å; Q123-N126 PolarHBondContact O-N 2.76Å; Q123-N126 PolarHBondContact O-OD1 3.2Å; N126-Q181 HydrophobicContact CB-CG 3.75Å; N126-I234 HydrophobicContact CB-CB 4.21Å; N126-I234 HydrophobicContact CB-CG1 4.04Å; N126-I234 PolarHBondContact O-N 3.43Å
127L97.7Very high97.1Very high6 Ų636.8 Ų36.83%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-92.3131.5162.9-58.9-179.9000107.3G125 I178 L180 Q181 C233 V257 F261 L264G125-L127 PolarHBondContact O-N 2.89Å; L127-I178 HydrophobicContact CD1-CG2 4.38Å; L127-L180 HydrophobicContact CB-CD1 3.99Å; L127-Q181 PolarHBondContact O-N 3.01Å; L127-C233 HydrophobicContact CD2-CB 4.22Å; L127-V257 HydrophobicContact CD2-CG2 4.48Å; L127-F261 HydrophobicContact CD1-CB 4.21Å; L127-F261 HydrophobicContact CD2-CB 4.19Å; L127-F261 HydrophobicContact CD2-CD2 4.3Å; L127-L264 HydrophobicContact CB-CD2 4.5Å; L127-L264 HydrophobicContact CD1-CD2 3.75Å
128M98.6Very high97.1Very high0 Ų040.8 Ų40.80%024%0.244CC..EExtended strand (participates in β ladder)trans-117121.5179.4-172.7-166.180.500109.7F122 I130 Q181 D208 A209 I231 S232 I234F122-M128 HydrophobicContact CE2-CG 4.09Å; F122-M128 HydrophobicContact CE2-SD 3.49Å; F122-M128 WeakPolarHBondContact CE2-SD 3.22Å; F122-M128 HydrophobicContact CZ-CG 4.08Å; F122-M128 HydrophobicContact CZ-SD 3.88Å; M128-I130 HydrophobicContact CE-CG1 3.95Å; M128-I130 PolarHBondContact O-N 2.9Å; M128-Q181 CarbonylContact C-O 3.49Å; M128-Q181 WeakPolarHBondContact CA-O 3.34Å; M128-Q181 HydrophobicContact CB-CB 4.29Å; M128-Q181 HydrophobicContact CG-CB 4.29Å; M128-D208 HydrophobicContact SD-CB 4.16Å; M128-A209 HydrophobicContact CE-CB 3.7Å; M128-A209 HydrophobicContact SD-CB 3.69Å; M128-I231 CarbonylContact O-C 3.57Å; M128-I231 WeakPolarHBondContact O-CA 3.44Å; M128-S232 PolarHBondContact N-O 2.76Å; M128-S232 PolarHBondContact O-N 3.45Å; M128-I234 HydrophobicContact CB-CD1 4.23Å; M128-I234 HydrophobicContact CB-CG1 4.42Å
129L98.8Very high97.1Very high0 Ų042.7 Ų42.70%026%0.255CS..EExtended strand (participates in β ladder)trans-71.1121.7164.717863.9000109.5T131 Q166 A169 R170 L180 Q181 E182 G183 L229 I231L129-T131 PolarHBondContact O-N 2.98Å; L129-Q166 HydrophobicContact CD1-CG 4.34Å; L129-Q166 HydrophobicContact CD2-CB 3.91Å; L129-Q166 HydrophobicContact CD2-CG 4.27Å; L129-Q166 HydrophobicContact CG-CG 4.45Å; L129-A169 HydrophobicContact CD1-CB 3.97Å; L129-A169 HydrophobicContact CD2-CB 4.25Å; L129-R170 HydrophobicContact CD2-CG 4.16Å; L129-L180 HydrophobicContact CB-CD1 4.29Å; L129-L180 HydrophobicContact CB-CD2 4.03Å; L129-L180 HydrophobicContact CB-CG 4.13Å; L129-L180 HydrophobicContact CD2-CD2 4.37Å; L129-Q181 PolarHBondContact N-O 2.66Å; L129-E182 HydrophobicContact CB-CG 4.27Å; L129-E182 HydrophobicContact CD2-CG 4.38Å; L129-E182 WeakPolarHBondContact O-CA 3.46Å; L129-G183 PolarHBondContact O-N 3.25Å; L129-G183 VanDerWaalsContact O-N 3.14Å; L129-L229 HydrophobicContact CD1-CD1 3.63Å; L129-I231 HydrophobicContact CB-CD1 4.34Å; L129-I231 HydrophobicContact CD1-CD1 3.78Å
130I98.9Very high97.2Very high0 Ų042.7 Ų42.70%026%0.255CS..EExtended strand (participates in β ladder)trans-77.3113.6177.3-50.6175.8000108.1M128 D132 Y161 Y185 T214 G230M128-I130 HydrophobicContact CE-CG1 3.95Å; M128-I130 PolarHBondContact O-N 2.9Å; I130-D132 WeakPolarHBondContact CG2-O 3.32Å; I130-Y161 HydrophobicContact CB-CD1 4.12Å; I130-Y161 HydrophobicContact CB-CE1 3.77Å; I130-Y161 HydrophobicContact CD1-CE1 4.31Å; I130-Y161 HydrophobicContact CG2-CD1 4.11Å; I130-Y161 HydrophobicContact CG2-CD2 4.26Å; I130-Y161 HydrophobicContact CG2-CE1 3.54Å; I130-Y161 HydrophobicContact CG2-CE2 3.73Å; I130-Y161 HydrophobicContact CG2-CG 4.44Å; I130-Y185 HydrophobicContact CD1-CD2 4.48Å; I130-Y185 HydrophobicContact CD1-CG 4.42Å; I130-T214 HydrophobicContact CD1-CG2 4.36Å; I130-G230 PolarHBondContact N-O 3.09Å
131T98.7Very high97.4Very high42 Ų4237.3 Ų37.326%0.25823%0.232SC..EExtended strand (participates in β ladder)trans-93.9-28.8-179.355.90000112.3L129 Q166 E182 G183L129-T131 PolarHBondContact O-N 2.98Å; T131-Q166 PolarHBondContact O-NE2 3.1Å; T131-E182 HydrophobicContact CG2-CB 3.94Å; T131-E182 HydrophobicContact CG2-CG 4.49Å; T131-G183 PolarHBondContact N-O 3.46Å; T131-G183 PolarHBondContact OG1-O 2.92Å
132D98.8Very high97.5Very high78 Ų7836.6 Ų36.642%0.41722%0.216SC..EExtended strand (participates in β ladder)trans-157.9176.1174.7-157.1-1000110.7I130 V184 Y185I130-D132 WeakPolarHBondContact CG2-O 3.32Å; D132-V184 HydrophobicContact CB-CG2 4.25Å; D132-V184 WeakPolarHBondContact O-CA 3.31Å; D132-Y185 PolarHBondContact O-N 3.44Å
133H98.9Very high97.6Very high27 Ų2742.5 Ų42.513%0.12525%0.246CC..EExtended strand (participates in β ladder)trans-137.7164.1174.169.3-159000115.4Y161 Y185 V215H133-Y161 HydrophobicContact CB-CE2 3.94Å; H133-Y161 AromaticContact CG-CE2 3.91Å; H133-Y161 AromaticContact ND1-CE2 3.74Å; H133-Y161 AromaticContact ND1-CZ 3.85Å; H133-Y161 PolarHBondContact ND1-OH 3.08Å; H133-Y185 CarbonylContact C-O 3.58Å; H133-Y185 WeakPolarHBondContact CA-O 3.41Å; H133-Y185 VanDerWaalsContact CB-O 3.23Å; H133-Y185 WeakPolarHBondContact CB-O 3.27Å; H133-V215 HydrophobicContact CB-CG2 4.13Å
134I98.8Very high97.7Very high38 Ų3838.9 Ų38.920%0.19524%0.238CC..EExtended strand (participates in β ladder)trans-122.3122168.1-62168.7000107.9F136 V184 Y185 I186 G187 M205 A207I134-F136 PolarHBondContact O-N 2.91Å; I134-V184 HydrophobicContact CD1-CG1 4.01Å; I134-V184 HydrophobicContact CG1-CG1 3.86Å; I134-Y185 PolarHBondContact N-O 2.94Å; I134-I186 HydrophobicContact CB-CB 4.13Å; I134-I186 HydrophobicContact CB-CD1 4.04Å; I134-I186 HydrophobicContact CB-CG1 3.82Å; I134-I186 HydrophobicContact CD1-CD1 4.39Å; I134-I186 HydrophobicContact CG2-CD1 3.72Å; I134-I186 HydrophobicContact CG2-CG1 3.86Å; I134-I186 WeakPolarHBondContact O-CA 3.35Å; I134-G187 PolarHBondContact O-N 2.77Å; I134-M205 HydrophobicContact CD1-CB 4.2Å; I134-M205 WeakPolarHBondContact CD1-O 3.36Å; I134-M205 HydrophobicContact CG2-CE 4.06Å; I134-A207 HydrophobicContact CD1-CB 4.38Å
135N98.7Very high97.7Very high56 Ų5643.6 Ų43.630%0.29927%0.269SS..EExtended strand (participates in β ladder)trans-84.199.9172.1-176.38.6000110.6M137 T139 V215N135-M137 WeakPolarHBondContact OD1-CB 3.42Å; N135-M137 WeakPolarHBondContact OD1-CG 3.42Å; N135-M137 PolarHBondContact OD1-N 2.77Å; N135-M137 VanDerWaalsContact OD1-N 3.09Å; N135-T139 PolarHBondContact ND2-O 3.19Å; N135-V215 HydrophobicContact CB-CG1 3.61Å
136F98.5Very high97.8Very high84 Ų8445 Ų4537%0.36827%0.273SS..  trans-10519.7175-154.4-104.4000112.6I134 G138 I186 G187 F188 M201 M205I134-F136 PolarHBondContact O-N 2.91Å; F136-G138 VanDerWaalsContact C-N 3.29Å; F136-G138 PolarHBondContact O-N 2.65Å; F136-I186 HydrophobicContact CB-CD1 3.93Å; F136-I186 HydrophobicContact CB-CG1 3.78Å; F136-I186 HydrophobicContact CG-CD1 4.29Å; F136-G187 CarbonylContact C-O 3.56Å; F136-G187 VanDerWaalsContact CA-O 3.24Å; F136-G187 WeakPolarHBondContact CA-O 3.46Å; F136-G187 WeakPolarHBondContact CB-O 3.31Å; F136-G187 PolarHBondContact N-O 3.47Å; F136-F188 HydrophobicContact CB-CD2 4.25Å; F136-F188 HydrophobicContact CB-CE2 4.21Å; F136-F188 HydrophobicContact CD1-CD1 4.12Å; F136-F188 HydrophobicContact CD1-CD2 4.28Å; F136-F188 AromaticContact CD1-CE1 3.73Å; F136-F188 HydrophobicContact CD1-CE1 3.73Å; F136-F188 AromaticContact CD1-CE2 3.91Å; F136-F188 HydrophobicContact CD1-CE2 3.91Å; F136-F188 HydrophobicContact CD1-CG 4.38Å; F136-F188 AromaticContact CD1-CZ 3.61Å; F136-F188 HydrophobicContact CD1-CZ 3.61Å; F136-F188 HydrophobicContact CE1-CE1 4Å; F136-F188 HydrophobicContact CE1-CZ 4.03Å; F136-F188 HydrophobicContact CG-CE2 4.29Å; F136-F188 HydrophobicContact CG-CZ 4.35Å; F136-M201 HydrophobicContact CD1-CE 4.35Å; F136-M201 HydrophobicContact CE1-CE 3.61Å; F136-M201 HydrophobicContact CE2-CE 4.18Å; F136-M201 HydrophobicContact CZ-CE 3.5Å; F136-M201 HydrophobicContact CZ-SD 4.03Å; F136-M205 HydrophobicContact CD2-CE 4.02Å; F136-M205 HydrophobicContact CD2-SD 4.42Å; F136-M205 HydrophobicContact CE2-CE 4.15Å; F136-M205 HydrophobicContact CE2-SD 4.2Å
137M98.1Very high97.7Very high10 Ų1044.5 Ų44.55%0.04927%0.27CS..SBendtrans-81.4-5-176.7-55.8-172.582.800113.8Y85 M91 N135 T139 G187 T189 P216Y85-M137 HydrophobicContact CG-CE 4.47Å; M91-M137 HydrophobicContact CE-CB 4.45Å; M91-M137 HydrophobicContact CE-CE 3.73Å; M91-M137 HydrophobicContact CE-SD 3.9Å; N135-M137 WeakPolarHBondContact OD1-CB 3.42Å; N135-M137 WeakPolarHBondContact OD1-CG 3.42Å; N135-M137 PolarHBondContact OD1-N 2.77Å; N135-M137 VanDerWaalsContact OD1-N 3.09Å; M137-T139 HydrophobicContact CB-CG2 4.47Å; M137-T139 PolarHBondContact O-N 3.11Å; M137-G187 VanDerWaalsContact CG-O 3.26Å; M137-G187 WeakPolarHBondContact CG-O 3.23Å; M137-G187 PolarHBondContact N-O 3.42Å; M137-T189 HydrophobicContact CB-CG2 4.05Å; M137-T189 VanDerWaalsContact O-CG2 3.3Å; M137-T189 WeakPolarHBondContact O-CG2 3.31Å; M137-P216 HydrophobicContact CE-CG 4.28Å; M137-P216 HydrophobicContact SD-CG 3.54Å; M137-P216 VanDerWaalsContact SD-CG 3.54Å
138G97.3Very high97.5Very high83 Ų8350.3 Ų50.386%0.85630%0.297SS*.SBendtrans68.39.6-178.800000114.9F136F136-G138 VanDerWaalsContact C-N 3.29Å; F136-G138 PolarHBondContact O-N 2.65Å
139T97.8Very high97.2Very high40 Ų4056.6 Ų56.625%0.24533%0.331CS..  trans-150175179.4-169.70000110.7Y85 M91 N135 M137Y85-T139 HydrophobicContact CE1-CG2 4.36Å; Y85-T139 HydrophobicContact CE2-CG2 4.45Å; M91-T139 HydrophobicContact CE-CG2 3.28Å; M91-T139 HydrophobicContact CG-CG2 3.86Å; M91-T139 HydrophobicContact SD-CG2 4.38Å; N135-T139 PolarHBondContact ND2-O 3.19Å; M137-T139 HydrophobicContact CB-CG2 4.47Å; M137-T139 PolarHBondContact O-N 3.11Å
140N98.5Very high97Very high54 Ų5458.2 Ų58.229%0.28934%0.338SS..  trans-148135.4179.7-175.4-53.1000110.7L142 I143N140-L142 PolarHBondContact O-N 3.28Å; N140-L142 VanDerWaalsContact O-N 3.14Å; N140-L142 WeakPolarHBondContact OD1-CB 3.23Å; N140-L142 PolarHBondContact OD1-N 2.94Å; N140-I143 HydrophobicContact CB-CD1 4.06Å; N140-I143 HydrophobicContact CB-CG1 4.05Å; N140-I143 WeakPolarHBondContact O-CG1 3.39Å; N140-I143 PolarHBondContact O-N 3.19Å
141P98.2Very high96.9Very high21 Ų2158.9 Ų58.914%0.13635%0.346CS..THydrogen-bonded Turntrans-64.8-13.6-178.227.7-37.5000115.1M91 T95 P216 I219 V220M91-P141 HydrophobicContact CB-CB 3.97Å; T95-P141 HydrophobicContact CG2-CB 3.82Å; T95-P141 HydrophobicContact CG2-CG 4.28Å; P141-P216 HydrophobicContact CG-CB 4.24Å; P141-I219 HydrophobicContact CG-CB 4.03Å; P141-I219 HydrophobicContact CG-CG2 3.81Å; P141-V220 HydrophobicContact CB-CG2 3.72Å; P141-V220 HydrophobicContact CG-CG2 3.76Å
142L98.1Very high96.8Very high37 Ų3760 Ų6019%0.19435%0.354CS..THydrogen-bonded Turntrans-98.45.7-179.9-54.8176.6000113.2N140 G144 P155 I219 V220 H223N140-L142 PolarHBondContact O-N 3.28Å; N140-L142 VanDerWaalsContact O-N 3.14Å; N140-L142 WeakPolarHBondContact OD1-CB 3.23Å; N140-L142 PolarHBondContact OD1-N 2.94Å; L142-G144 PolarHBondContact O-N 3.07Å; L142-P155 HydrophobicContact CD1-CG 3.67Å; L142-I219 HydrophobicContact CD1-CG2 3.54Å; L142-I219 HydrophobicContact CG-CG2 3.82Å; L142-V220 HydrophobicContact CD2-CG2 4.16Å; L142-H223 HydrophobicContact CD1-CB 4.02Å; L142-H223 HydrophobicContact CD2-CB 4.1Å
143I97.6Very high96.8Very high129 Ų12961.6 Ų61.666%0.66235%0.354SS*.  trans-67.1122.2171.8-67.8170.1000108.8N140N140-I143 HydrophobicContact CB-CD1 4.06Å; N140-I143 HydrophobicContact CB-CG1 4.05Å; N140-I143 WeakPolarHBondContact O-CG1 3.39Å; N140-I143 PolarHBondContact O-N 3.19Å
144G95.8Very high96.7Very high33 Ų3368.8 Ų68.834%0.3439%0.385SS..SBendtrans140.7-168.4-178.700000112L142 R153L142-G144 PolarHBondContact O-N 3.07Å; G144-R153 PolarHBondContact O-NH1 3.08Å; G144-R153 PolarHBondContact O-NH2 2.95Å
145P94.4Very high96.7Very high134 Ų13468.5 Ų68.587%0.8739%0.386SS*.  trans-65.114416728.6-33.4000110.7
146N96Very high96.7Very high44 Ų4471.3 Ų71.324%0.23540%0.401CS..  trans-94.9141.3174-170.554.6000111.2E148 G151 R153 H223N146-E148 VanDerWaalsContact ND2-CD 3.27Å; N146-E148 PolarHBondContact ND2-OE1 3.36Å; N146-G151 PolarHBondContact ND2-O 2.86Å; N146-R153 HydrophobicContact CB-CB 4.4Å; N146-R153 PolarHBondContact ND2-N 3.4Å; N146-H223 PolarHBondContact OD1-NE2 3.21Å; N146-H223 VanDerWaalsContact OD1-NE2 3.09Å
147D93.7Very high96.7Very high19 Ų1969.8 Ų69.810%0.10240%0.395CS..  trans-104.9107.8166.2-168.4-27.1000108.2T2 Q5 N149 M150T2-D147 HydrophobicContact CG2-CB 4.25Å; T2-D147 VanDerWaalsContact CG2-OD2 3.31Å; T2-D147 WeakPolarHBondContact CG2-OD2 3.3Å; T2-D147 PolarHBondContact OG1-OD2 3.36Å; Q5-D147 PolarHBondContact OE1-OD2 3.35Å; D147-N149 PolarHBondContact O-N 2.86Å; D147-N149 WeakPolarHBondContact OD1-CB 3.45Å; D147-N149 PolarHBondContact OD1-N 3Å; D147-N149 VanDerWaalsContact OD1-N 3.08Å; D147-N149 PolarHBondContact OD1-ND2 2.81Å; D147-M150 HydrophobicContact CB-CB 4.44Å; D147-M150 HydrophobicContact CB-CG 4.09Å; D147-M150 HydrophobicContact CB-SD 4.03Å; D147-M150 PolarHBondContact O-N 3.09Å
148E94Very high96.7Very high128 Ų12874.2 Ų74.260%0.59843%0.427SS*.THydrogen-bonded Turntrans-61.8-16-177.4-61.6-63.4141.800112.9N146 M150N146-E148 VanDerWaalsContact ND2-CD 3.27Å; N146-E148 PolarHBondContact ND2-OE1 3.36Å; E148-M150 VanDerWaalsContact C-N 3.3Å
149N92.5Very high96.6Very high132 Ų13272.9 Ų72.971%0.70641%0.408SS*.THydrogen-bonded Turntrans-76.5-18173.2-56.3-66.2000112.9D147D147-N149 PolarHBondContact O-N 2.86Å; D147-N149 WeakPolarHBondContact OD1-CB 3.45Å; D147-N149 PolarHBondContact OD1-N 3Å; D147-N149 VanDerWaalsContact OD1-N 3.08Å; D147-N149 PolarHBondContact OD1-ND2 2.81Å
150M94Very high96.7Very high33 Ų3371.2 Ų71.216%0.16340%0.399CS..THydrogen-bonded Turntrans-98.9-11.3179.7-62179.56700112.9L4 I8 R99 D147 E148 H223L4-M150 HydrophobicContact CD2-CE 4.19Å; L4-M150 HydrophobicContact CD2-SD 4.39Å; I8-M150 HydrophobicContact CD1-CE 3.44Å; I8-M150 VanDerWaalsContact CD1-CE 3.44Å; I8-M150 HydrophobicContact CD1-SD 4.34Å; R99-M150 HydrophobicContact CB-CE 4.35Å; R99-M150 VanDerWaalsContact CD-CE 3.44Å; R99-M150 HydrophobicContact CG-CE 3.93Å; R99-M150 PolarHBondContact NH1-O 3.36Å; R99-M150 VanDerWaalsContact NH1-O 3.15Å; D147-M150 HydrophobicContact CB-CB 4.44Å; D147-M150 HydrophobicContact CB-CG 4.09Å; D147-M150 HydrophobicContact CB-SD 4.03Å; D147-M150 PolarHBondContact O-N 3.09Å; E148-M150 VanDerWaalsContact C-N 3.3Å; M150-H223 VanDerWaalsContact C-CE1 3.44Å; M150-H223 PolarHBondContact O-CE1 3.39Å; M150-H223 VanDerWaalsContact O-CE1 3.27Å; M150-H223 PolarHBondContact O-ND1 2.91Å
151G96.1Very high96.7Very high15 Ų1568.9 Ų68.916%0.15539%0.386CS..  trans145.5172.9-179.300000113.8N146 H223N146-G151 PolarHBondContact ND2-O 2.86Å; G151-H223 WeakPolarHBondContact CA-CE1 3.26Å; G151-H223 VanDerWaalsContact CA-O 3.28Å; G151-H223 WeakPolarHBondContact CA-O 3.32Å; G151-H223 PolarHBondContact N-CE1 2.95Å
152P97.5Very high96.7Very high65 Ų6569 Ų6942%0.42239%0.386SS..  trans-73.5149.1-173.831.5-36.1000111.7F154 P155 H223P152-F154 PolarHBondContact O-N 3.15Å; P152-F154 VanDerWaalsContact O-N 3.08Å; P152-P155 HydrophobicContact CG-CB 4.19Å; P152-H223 PolarHBondContact O-CD2 2.79Å; P152-H223 PolarHBondContact O-NE2 3.23Å
153R97.9Very high96.7Very high112 Ų11273.8 Ų73.842%0.42341%0.405SS..SBendtrans-52.7-33.6174.1178.958.6-178.3179.2-2.3114G144 N146G144-R153 PolarHBondContact O-NH1 3.08Å; G144-R153 PolarHBondContact O-NH2 2.95Å; N146-R153 HydrophobicContact CB-CB 4.4Å; N146-R153 PolarHBondContact ND2-N 3.4Å
154F98Very high96.7Very high177 Ų17772.2 Ų72.278%0.77640%0.395SS*.SBendtrans-129.284.8-178.3-54.5-68.8000109.4P152P152-F154 PolarHBondContact O-N 3.15Å; P152-F154 VanDerWaalsContact O-N 3.08Å
155P98Very high96.9Very high32 Ų3271.1 Ų71.121%0.20838%0.381CS..  trans-68.7138.2178.628.7-34000111.1L142 P152 H223L142-P155 HydrophobicContact CD1-CG 3.67Å; P152-P155 HydrophobicContact CG-CB 4.19Å; P155-H223 HydrophobicContact CB-CB 4.44Å; P155-H223 HydrophobicContact CG-CB 4.42Å
156D98.2Very high97.1Very high115 Ų11565.6 Ų65.662%0.61534%0.344SS*.  trans-72.2136.6169.8177.962.1000110.2S158D156-S158 WeakPolarHBondContact OD1-CB 3.41Å; D156-S158 PolarHBondContact OD1-N 3.35Å; D156-S158 PolarHBondContact OD1-OG 3.33Å; D156-S158 VanDerWaalsContact OD2-CB 3.29Å; D156-S158 WeakPolarHBondContact OD2-CB 3.46Å; D156-S158 PolarHBondContact OD2-N 2.93Å; D156-S158 PolarHBondContact OD2-OG 3.18Å
157M98.6Very high97.2Very high53 Ų5368.5 Ų68.526%0.26136%0.356SS..  trans-115.97.9179.4-64.1-62.4-68.400112.3A159 A160 I219M157-A159 PolarHBondContact O-N 3.03Å; M157-A160 HydrophobicContact CE-CB 3.52Å; M157-A160 PolarHBondContact O-N 3.45Å; M157-A160 HydrophobicContact SD-CB 4.38Å; M157-I219 HydrophobicContact CE-CB 4.49Å; M157-I219 HydrophobicContact CE-CG1 3.83Å
158S97.7Very high97.4Very high102 Ų10270.4 Ų70.471%0.71336%0.363SS*.THydrogen-bonded Turntrans-62-18.4-175.5-57.10000113.9D156D156-S158 WeakPolarHBondContact OD1-CB 3.41Å; D156-S158 PolarHBondContact OD1-N 3.35Å; D156-S158 PolarHBondContact OD1-OG 3.33Å; D156-S158 VanDerWaalsContact OD2-CB 3.29Å; D156-S158 WeakPolarHBondContact OD2-CB 3.46Å; D156-S158 PolarHBondContact OD2-N 2.93Å; D156-S158 PolarHBondContact OD2-OG 3.18Å
159A97.1Very high97.6Very high55 Ų5564.3 Ų64.346%0.45533%0.334SS..THydrogen-bonded Turntrans-143.549.7174.200000111.1M157 Y161M157-A159 PolarHBondContact O-N 3.03Å; A159-Y161 PolarHBondContact O-N 3.04Å
160A98.5Very high97.9Very high6 Ų661.2 Ų61.25%0.0531%0.313CS..SBendtrans-55.3-33.1-178.800000113.2M157 V218 V228M157-A160 HydrophobicContact CE-CB 3.52Å; M157-A160 PolarHBondContact O-N 3.45Å; M157-A160 HydrophobicContact SD-CB 4.38Å; A160-V218 HydrophobicContact CB-CG1 4.05Å; A160-V228 WeakPolarHBondContact O-CB 3.37Å
161Y98.8Very high98.2Very high4 Ų464.6 Ų64.62%0.01633%0.328CS..SBendtrans-100120.8169.7-60-89.2000109.5I130 H133 A159 K163 Q166 V218 V228I130-Y161 HydrophobicContact CB-CD1 4.12Å; I130-Y161 HydrophobicContact CB-CE1 3.77Å; I130-Y161 HydrophobicContact CD1-CE1 4.31Å; I130-Y161 HydrophobicContact CG2-CD1 4.11Å; I130-Y161 HydrophobicContact CG2-CD2 4.26Å; I130-Y161 HydrophobicContact CG2-CE1 3.54Å; I130-Y161 HydrophobicContact CG2-CE2 3.73Å; I130-Y161 HydrophobicContact CG2-CG 4.44Å; H133-Y161 HydrophobicContact CB-CE2 3.94Å; H133-Y161 AromaticContact CG-CE2 3.91Å; H133-Y161 AromaticContact ND1-CE2 3.74Å; H133-Y161 AromaticContact ND1-CZ 3.85Å; H133-Y161 PolarHBondContact ND1-OH 3.08Å; A159-Y161 PolarHBondContact O-N 3.04Å; Y161-K163 PolarHBondContact O-N 3.18Å; Y161-Q166 PolarHBondContact O-NE2 3.27Å; Y161-V218 HydrophobicContact CE1-CG1 4.39Å; Y161-V218 HydrophobicContact CE1-CG2 4.01Å; Y161-V218 HydrophobicContact CE2-CG1 4.29Å; Y161-V228 HydrophobicContact CD1-CG1 3.95Å; Y161-V228 HydrophobicContact CE1-CG1 4.16Å
162T98.6Very high98.3Very high23 Ų2364.1 Ų64.114%0.14132%0.322CS..  trans-65.2118-169.7-53.80000111.6E164 Y165 Q166 K227 V228T162-E164 VanDerWaalsContact C-N 3.34Å; T162-E164 HydrophobicContact CG2-CB 4.17Å; T162-E164 PolarHBondContact O-N 3.19Å; T162-Y165 HydrophobicContact CG2-CD1 4.14Å; T162-Y165 HydrophobicContact CG2-CD2 4.34Å; T162-Y165 HydrophobicContact CG2-CG 4.03Å; T162-Y165 WeakPolarHBondContact O-CB 3.49Å; T162-Y165 PolarHBondContact O-N 3.21Å; T162-Q166 PolarHBondContact O-N 3.3Å; T162-K227 HydrophobicContact CG2-CB 4.38Å; T162-K227 HydrophobicContact CG2-CD 4.15Å; T162-K227 HydrophobicContact CG2-CG 4.2Å; T162-K227 WeakPolarHBondContact OG1-CA 3.25Å; T162-K227 WeakPolarHBondContact OG1-CB 3.44Å; T162-V228 PolarHBondContact N-O 3.38Å; T162-V228 PolarHBondContact OG1-N 3.29Å; T162-V228 PolarHBondContact OG1-O 3.4Å
163K98.3Very high98.3Very high138 Ų13861 Ų6160%0.630%0.303SS*.Hα-helixtrans-55.1-44.5-177.9-65.5-176-179.9-179.60113.7Y161 Y165 Q166 E167Y161-K163 PolarHBondContact O-N 3.18Å; K163-Y165 PolarHBondContact O-N 3.3Å; K163-Q166 WeakPolarHBondContact O-CB 3.5Å; K163-Q166 PolarHBondContact O-N 2.98Å; K163-Q166 VanDerWaalsContact O-N 3.16Å; K163-E167 WeakPolarHBondContact O-CG 3.37Å; K163-E167 PolarHBondContact O-N 2.92Å
164E98.2Very high98.3Very high97 Ų9761.9 Ų61.945%0.45332%0.315SS..Hα-helixtrans-55.6-39.8174.9-178.1-172-172.700111.8T162 E167 K168 K227T162-E164 VanDerWaalsContact C-N 3.34Å; T162-E164 HydrophobicContact CG2-CB 4.17Å; T162-E164 PolarHBondContact O-N 3.19Å; E164-E167 PolarHBondContact O-N 3.06Å; E164-K168 VanDerWaalsContact O-CG 3.32Å; E164-K168 WeakPolarHBondContact O-CG 3.32Å; E164-K168 PolarHBondContact O-N 3.16Å; E164-K168 VanDerWaalsContact O-N 3.11Å; E164-K227 IonicContact OE2-NZ 3.7Å; E164-K227 PolarHBondContact OE2-NZ 3.19Å
165Y98.5Very high98.4Very high10 Ų1060.5 Ų60.54%0.03931%0.309CS..Hα-helixtrans-74.2-35.3-179.7-68-0.3000111.8S108 T162 K163 K168 A169 K227 L229 L272S108-Y165 WeakPolarHBondContact OG-CE2 3.46Å; S108-Y165 PolarHBondContact OG-OH 3.28Å; T162-Y165 HydrophobicContact CG2-CD1 4.14Å; T162-Y165 HydrophobicContact CG2-CD2 4.34Å; T162-Y165 HydrophobicContact CG2-CG 4.03Å; T162-Y165 WeakPolarHBondContact O-CB 3.49Å; T162-Y165 PolarHBondContact O-N 3.21Å; K163-Y165 PolarHBondContact O-N 3.3Å; Y165-K168 PolarHBondContact O-N 2.95Å; Y165-A169 WeakPolarHBondContact O-CB 3.35Å; Y165-A169 PolarHBondContact O-N 3.44Å; Y165-K227 HydrophobicContact CD2-CB 4.2Å; Y165-K227 HydrophobicContact CE1-CD 4.01Å; Y165-K227 HydrophobicContact CE2-CB 3.48Å; Y165-K227 VanDerWaalsContact CE2-CB 3.48Å; Y165-K227 HydrophobicContact CE2-CD 4.12Å; Y165-K227 HydrophobicContact CE2-CG 4.45Å; Y165-L229 HydrophobicContact CD2-CB 4.13Å; Y165-L272 HydrophobicContact CD1-CD1 4.02Å; Y165-L272 HydrophobicContact CD1-CD2 3.41Å; Y165-L272 VanDerWaalsContact CD1-CD2 3.41Å; Y165-L272 HydrophobicContact CD1-CG 4.32Å; Y165-L272 HydrophobicContact CD2-CD1 4.13Å; Y165-L272 HydrophobicContact CE1-CD1 4.13Å; Y165-L272 HydrophobicContact CE1-CD2 3.61Å; Y165-L272 HydrophobicContact CE1-CG 4.34Å; Y165-L272 HydrophobicContact CE2-CD1 4.23Å; Y165-L272 HydrophobicContact CG-CD1 3.98Å; Y165-L272 HydrophobicContact CG-CD2 4.11Å
166Q98.7Very high98.3Very high18 Ų1860.4 Ų60.48%0.08431%0.307CS..Hα-helixtrans-61.8-44.2172.1-63.3-179.124.100111.4L129 T131 Y161 T162 K163 A169 R170L129-Q166 HydrophobicContact CD1-CG 4.34Å; L129-Q166 HydrophobicContact CD2-CB 3.91Å; L129-Q166 HydrophobicContact CD2-CG 4.27Å; L129-Q166 HydrophobicContact CG-CG 4.45Å; T131-Q166 PolarHBondContact O-NE2 3.1Å; Y161-Q166 PolarHBondContact O-NE2 3.27Å; T162-Q166 PolarHBondContact O-N 3.3Å; K163-Q166 WeakPolarHBondContact O-CB 3.5Å; K163-Q166 PolarHBondContact O-N 2.98Å; K163-Q166 VanDerWaalsContact O-N 3.16Å; Q166-A169 PolarHBondContact O-N 3.28Å; Q166-R170 WeakPolarHBondContact O-CG 3.44Å; Q166-R170 PolarHBondContact O-N 3.44Å; Q166-R170 VanDerWaalsContact OE1-NH2 3.15Å
167E98.6Very high98.3Very high105 Ų10559.4 Ų59.449%0.49132%0.315SS..Hα-helixtrans-59.4-47.3176.2-71.2169-173.400111.6K163 E164 A169 R170 E171K163-E167 WeakPolarHBondContact O-CG 3.37Å; K163-E167 PolarHBondContact O-N 2.92Å; E164-E167 PolarHBondContact O-N 3.06Å; E167-A169 VanDerWaalsContact C-N 3.33Å; E167-A169 PolarHBondContact O-N 2.96Å; E167-R170 PolarHBondContact O-N 3.29Å; E167-E171 WeakPolarHBondContact O-CG 3.45Å; E167-E171 PolarHBondContact O-N 3.11Å
168K98.5Very high98.2Very high58 Ų5857.9 Ų57.925%0.25231%0.307SS..Hα-helixtrans-62.8-38.7176.7-66.9-72.8156.6-1450112.5E164 Y165 E171 V172 V271 L272E164-K168 VanDerWaalsContact O-CG 3.32Å; E164-K168 WeakPolarHBondContact O-CG 3.32Å; E164-K168 PolarHBondContact O-N 3.16Å; E164-K168 VanDerWaalsContact O-N 3.11Å; Y165-K168 PolarHBondContact O-N 2.95Å; K168-E171 IonicContact NZ-OE1 3.55Å; K168-E171 PolarHBondContact NZ-OE1 3.38Å; K168-E171 IonicContact NZ-OE2 2.89Å; K168-E171 PolarHBondContact NZ-OE2 3.24Å; K168-E171 PolarHBondContact O-N 3.44Å; K168-V172 WeakPolarHBondContact O-CG2 3.5Å; K168-V172 PolarHBondContact O-N 2.74Å; K168-V271 HydrophobicContact CB-CG2 3.98Å; K168-V271 HydrophobicContact CD-CB 4.29Å; K168-V271 HydrophobicContact CD-CG2 4.05Å; K168-V271 HydrophobicContact CG-CG2 4.44Å; K168-L272 HydrophobicContact CB-CD2 3.81Å; K168-L272 HydrophobicContact CG-CD2 3.81Å
169A98.7Very high98.1Very high0 Ų058.8 Ų58.80%030%0.304CS..Hα-helixtrans-62-43.5174.800000112.3L129 Y165 Q166 E167 V172 A173 L180 L229 I268L129-A169 HydrophobicContact CD1-CB 3.97Å; L129-A169 HydrophobicContact CD2-CB 4.25Å; Y165-A169 WeakPolarHBondContact O-CB 3.35Å; Y165-A169 PolarHBondContact O-N 3.44Å; Q166-A169 PolarHBondContact O-N 3.28Å; E167-A169 VanDerWaalsContact C-N 3.33Å; E167-A169 PolarHBondContact O-N 2.96Å; A169-V172 PolarHBondContact O-N 3.41Å; A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.07Å; A169-L180 HydrophobicContact CB-CD2 4.4Å; A169-L229 HydrophobicContact CB-CD1 4.13Å; A169-I268 HydrophobicContact CB-CD1 3.7Å; A169-I268 HydrophobicContact CB-CG1 4.35Å
170R98.6Very high98.2Very high68 Ų6857.2 Ų57.226%0.25729%0.288SS..Hα-helixtrans-61.6-46.7174.6-66.9173.8-168.5103.26.3111.8L129 Q166 E167 V172 A173 N174 E182L129-R170 HydrophobicContact CD2-CG 4.16Å; Q166-R170 WeakPolarHBondContact O-CG 3.44Å; Q166-R170 PolarHBondContact O-N 3.44Å; Q166-R170 VanDerWaalsContact OE1-NH2 3.15Å; E167-R170 PolarHBondContact O-N 3.29Å; R170-V172 VanDerWaalsContact C-N 3.33Å; R170-V172 PolarHBondContact O-N 3.07Å; R170-A173 PolarHBondContact O-N 3.19Å; R170-N174 WeakPolarHBondContact O-CB 3.48Å; R170-N174 VanDerWaalsContact O-CG 3.26Å; R170-N174 PolarHBondContact O-N 3.44Å; R170-N174 PolarHBondContact O-ND2 3.2Å; R170-E182 VanDerWaalsContact CD-OE1 3.28Å; R170-E182 WeakPolarHBondContact CD-OE1 3.28Å; R170-E182 WeakPolarHBondContact CG-OE1 3.14Å; R170-E182 IonicContact CZ-OE1 2.65Å; R170-E182 IonicContact CZ-OE2 3.11Å; R170-E182 VanDerWaalsContact CZ-OE2 3.31Å; R170-E182 IonicContact NE-OE1 3.69Å; R170-E182 PolarHBondContact NE-OE1 2.75Å; R170-E182 IonicContact NE-OE2 3.31Å; R170-E182 PolarHBondContact NE-OE2 3.38Å; R170-E182 VanDerWaalsContact NE-OE2 3.09Å; R170-E182 IonicContact NH2-OE1 3.28Å; R170-E182 IonicContact NH2-OE2 3.19Å; R170-E182 PolarHBondContact NH2-OE2 3.3Å
171E98.6Very high98.2Very high103 Ų10358.8 Ų58.848%0.48129%0.294SS..Hα-helixtrans-57.5-46.2177.5-73.1173.8-173.200111.6E167 K168 K175E167-E171 WeakPolarHBondContact O-CG 3.45Å; E167-E171 PolarHBondContact O-N 3.11Å; K168-E171 IonicContact NZ-OE1 3.55Å; K168-E171 PolarHBondContact NZ-OE1 3.38Å; K168-E171 IonicContact NZ-OE2 2.89Å; K168-E171 PolarHBondContact NZ-OE2 3.24Å; K168-E171 PolarHBondContact O-N 3.44Å; E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 3.4Å
172V98.6Very high98.2Very high5 Ų562.3 Ų62.33%0.0331%0.311CS..Hα-helixtrans-66.4-46.2178.8171.10000111.5K168 A169 R170 N174 K175 L176 L264 E267 I268 V271K168-V172 WeakPolarHBondContact O-CG2 3.5Å; K168-V172 PolarHBondContact O-N 2.74Å; A169-V172 PolarHBondContact O-N 3.41Å; R170-V172 VanDerWaalsContact C-N 3.33Å; R170-V172 PolarHBondContact O-N 3.07Å; V172-N174 VanDerWaalsContact C-N 3.32Å; V172-N174 PolarHBondContact O-N 2.96Å; V172-K175 WeakPolarHBondContact O-CB 3.22Å; V172-K175 PolarHBondContact O-N 3.31Å; V172-L176 HydrophobicContact CG1-CD1 3.81Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.39Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.24Å; V172-L176 PolarHBondContact O-N 3.17Å; V172-L264 HydrophobicContact CG1-CD1 3.98Å; V172-E267 HydrophobicContact CG1-CB 3.37Å; V172-E267 HydrophobicContact CG1-CG 4.49Å; V172-E267 HydrophobicContact CG2-CB 4.47Å; V172-I268 HydrophobicContact CB-CG1 3.98Å; V172-I268 HydrophobicContact CG1-CG1 4.02Å; V172-I268 HydrophobicContact CG2-CG1 4.14Å; V172-V271 HydrophobicContact CG2-CG1 4.33Å; V172-V271 HydrophobicContact CG2-CG2 3.73Å
173A98.4Very high98.2Very high1 Ų161.4 Ų61.41%0.00831%0.306CS..Hα-helixtrans-58.6-44.6177.800000111.9A169 R170 K175 L176 A177 I178 L180 L264A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.07Å; R170-A173 PolarHBondContact O-N 3.19Å; A173-K175 PolarHBondContact O-N 3.46Å; A173-L176 CarbonylContact O-C 3.15Å; A173-L176 PolarHBondContact O-N 3.36Å; A173-L176 VanDerWaalsContact O-N 3.13Å; A173-A177 PolarHBondContact O-N 3.31Å; A173-I178 HydrophobicContact CB-CB 4.41Å; A173-I178 PolarHBondContact O-N 2.95Å; A173-L180 HydrophobicContact CB-CB 3.52Å; A173-L180 HydrophobicContact CB-CD2 3.7Å; A173-L180 HydrophobicContact CB-CG 4.22Å; A173-L264 HydrophobicContact CB-CD1 4.07Å
174N98.2Very high98.2Very high129 Ų12956.1 Ų56.169%0.6929%0.285SS*.Hα-helixtrans-59.8-45.6174.7-74.6-29.6000112.2R170 V172 L176 A177R170-N174 WeakPolarHBondContact O-CB 3.48Å; R170-N174 VanDerWaalsContact O-CG 3.26Å; R170-N174 PolarHBondContact O-N 3.44Å; R170-N174 PolarHBondContact O-ND2 3.2Å; V172-N174 VanDerWaalsContact C-N 3.32Å; V172-N174 PolarHBondContact O-N 2.96Å; N174-L176 PolarHBondContact O-N 3.47Å; N174-A177 PolarHBondContact O-N 3.22Å
175K98.2Very high98.2Very high148 Ų14851.5 Ų51.564%0.64326%0.264SS*.Hα-helixtrans-59.8-35.7175.6178.1-169.5171.1-161.30112E171 V172 A173 E267E171-K175 WeakPolarHBondContact O-CB 3.48Å; E171-K175 PolarHBondContact O-N 3.4Å; V172-K175 WeakPolarHBondContact O-CB 3.22Å; V172-K175 PolarHBondContact O-N 3.31Å; A173-K175 PolarHBondContact O-N 3.46Å; K175-E267 IonicContact NZ-OE2 2.65Å; K175-E267 PolarHBondContact NZ-OE2 3.23Å
176L97.8Very high98.3Very high30 Ų3051 Ų5116%0.15726%0.262CS..Hα-helixtrans-86.5-4.2-179.1-66.8-177.5000114V172 A173 N174 I178 K263 E267V172-L176 HydrophobicContact CG1-CD1 3.81Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.39Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.24Å; V172-L176 PolarHBondContact O-N 3.17Å; A173-L176 CarbonylContact O-C 3.15Å; A173-L176 PolarHBondContact O-N 3.36Å; A173-L176 VanDerWaalsContact O-N 3.13Å; N174-L176 PolarHBondContact O-N 3.47Å; L176-I178 HydrophobicContact CB-CD1 3.84Å; L176-I178 HydrophobicContact CB-CG1 3.87Å; L176-I178 HydrophobicContact CD1-CD1 3.83Å; L176-I178 PolarHBondContact O-N 3.38Å; L176-K263 HydrophobicContact CD1-CD 4.19Å; L176-K263 HydrophobicContact CD1-CG 3.93Å; L176-K263 HydrophobicContact CD2-CD 3.96Å; L176-K263 VanDerWaalsContact CD2-CE 3.45Å; L176-K263 HydrophobicContact CD2-CG 4.23Å; L176-E267 HydrophobicContact CD1-CB 4.24Å; L176-E267 HydrophobicContact CD1-CG 4.12Å; L176-E267 HydrophobicContact CD2-CG 4.28Å
177A97.2Very high98.3Very high95 Ų9550.1 Ų50.179%0.78526%0.258SS*.THydrogen-bonded Turntrans54.134.6-17000000113.1A173 N174A173-A177 PolarHBondContact O-N 3.31Å; N174-A177 PolarHBondContact O-N 3.22Å
178I96.7Very high98.2Very high20 Ų2046 Ų4610%0.10324%0.238CC..  trans-90.2123.2172-65.4173000107.7L127 A173 L176 L180 D260 L264L127-I178 HydrophobicContact CD1-CG2 4.38Å; A173-I178 HydrophobicContact CB-CB 4.41Å; A173-I178 PolarHBondContact O-N 2.95Å; L176-I178 HydrophobicContact CB-CD1 3.84Å; L176-I178 HydrophobicContact CB-CG1 3.87Å; L176-I178 HydrophobicContact CD1-CD1 3.83Å; L176-I178 PolarHBondContact O-N 3.38Å; I178-L180 PolarHBondContact O-N 3.31Å; I178-D260 HydrophobicContact CD1-CB 4.16Å; I178-L264 HydrophobicContact CD1-CB 4.05Å
179D96.2Very high98.2Very high122 Ų12245.7 Ų45.765%0.65224%0.241SC*.  trans-74.777.4174.6-174.426.8000110.6Q181D179-Q181 VanDerWaalsContact CG-NE2 3.26Å; D179-Q181 PolarHBondContact O-N 2.83Å; D179-Q181 PolarHBondContact O-NE2 3.3Å; D179-Q181 PolarHBondContact OD1-NE2 3.04Å; D179-Q181 PolarHBondContact OD2-NE2 3.01Å; D179-Q181 VanDerWaalsContact OD2-NE2 3.11Å
180L98.2Very high98.1Very high21 Ų2146.3 Ų46.311%0.1125%0.248CC..  trans-74.6112.7-178.6-177.168.1000109.8L127 L129 A169 A173 I178 L264L127-L180 HydrophobicContact CB-CD1 3.99Å; L129-L180 HydrophobicContact CB-CD1 4.29Å; L129-L180 HydrophobicContact CB-CD2 4.03Å; L129-L180 HydrophobicContact CB-CG 4.13Å; L129-L180 HydrophobicContact CD2-CD2 4.37Å; A169-L180 HydrophobicContact CB-CD2 4.4Å; A173-L180 HydrophobicContact CB-CB 3.52Å; A173-L180 HydrophobicContact CB-CD2 3.7Å; A173-L180 HydrophobicContact CB-CG 4.22Å; I178-L180 PolarHBondContact O-N 3.31Å; L180-L264 HydrophobicContact CD1-CD2 3.95Å
181Q98.5Very high97.8Very high39 Ų3947.6 Ų47.618%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-73.3163.1172.6-54.2-54.6-59.800110.3F122 N126 L127 M128 L129 D179F122-Q181 HydrophobicContact CD1-CB 4.19Å; F122-Q181 HydrophobicContact CD1-CG 3.96Å; F122-Q181 HydrophobicContact CE1-CB 3.61Å; F122-Q181 HydrophobicContact CE1-CG 3.88Å; F122-Q181 HydrophobicContact CZ-CB 3.92Å; N126-Q181 HydrophobicContact CB-CG 3.75Å; L127-Q181 PolarHBondContact O-N 3.01Å; M128-Q181 CarbonylContact C-O 3.49Å; M128-Q181 WeakPolarHBondContact CA-O 3.34Å; M128-Q181 HydrophobicContact CB-CB 4.29Å; M128-Q181 HydrophobicContact CG-CB 4.29Å; L129-Q181 PolarHBondContact N-O 2.66Å; D179-Q181 VanDerWaalsContact CG-NE2 3.26Å; D179-Q181 PolarHBondContact O-N 2.83Å; D179-Q181 PolarHBondContact O-NE2 3.3Å; D179-Q181 PolarHBondContact OD1-NE2 3.04Å; D179-Q181 PolarHBondContact OD2-NE2 3.01Å; D179-Q181 VanDerWaalsContact OD2-NE2 3.11Å
182E98.6Very high97.6Very high78 Ų7848.1 Ų48.136%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-134.6143.2176.4-60.3-169.3-151.500109.7L129 T131 R170L129-E182 HydrophobicContact CB-CG 4.27Å; L129-E182 HydrophobicContact CD2-CG 4.38Å; L129-E182 WeakPolarHBondContact O-CA 3.46Å; T131-E182 HydrophobicContact CG2-CB 3.94Å; T131-E182 HydrophobicContact CG2-CG 4.49Å; R170-E182 VanDerWaalsContact CD-OE1 3.28Å; R170-E182 WeakPolarHBondContact CD-OE1 3.28Å; R170-E182 WeakPolarHBondContact CG-OE1 3.14Å; R170-E182 IonicContact CZ-OE1 2.65Å; R170-E182 IonicContact CZ-OE2 3.11Å; R170-E182 VanDerWaalsContact CZ-OE2 3.31Å; R170-E182 IonicContact NE-OE1 3.69Å; R170-E182 PolarHBondContact NE-OE1 2.75Å; R170-E182 IonicContact NE-OE2 3.31Å; R170-E182 PolarHBondContact NE-OE2 3.38Å; R170-E182 VanDerWaalsContact NE-OE2 3.09Å; R170-E182 IonicContact NH2-OE1 3.28Å; R170-E182 IonicContact NH2-OE2 3.19Å; R170-E182 PolarHBondContact NH2-OE2 3.3Å
183G98.6Very high97.3Very high4 Ų452 Ų524%0.04129%0.29CS..EExtended strand (participates in β ladder)trans178.2177178.700000116.2L129 T131 D208L129-G183 PolarHBondContact O-N 3.25Å; L129-G183 VanDerWaalsContact O-N 3.14Å; T131-G183 PolarHBondContact N-O 3.46Å; T131-G183 PolarHBondContact OG1-O 2.92Å; G183-D208 WeakPolarHBondContact CA-OD2 3.38Å
184V98.9Very high97.2Very high27 Ų2752.8 Ų52.816%0.16429%0.293CS..EExtended strand (participates in β ladder)trans-88.8125.9179.9-178.20000110.2D132 I134 G206 D208 A209D132-V184 HydrophobicContact CB-CG2 4.25Å; D132-V184 WeakPolarHBondContact O-CA 3.31Å; I134-V184 HydrophobicContact CD1-CG1 4.01Å; I134-V184 HydrophobicContact CG1-CG1 3.86Å; V184-G206 WeakPolarHBondContact CB-O 3.27Å; V184-D208 PolarHBondContact N-OD2 3.45Å; V184-D208 PolarHBondContact O-N 3.1Å; V184-A209 PolarHBondContact O-N 3.25Å
185Y98.9Very high97.1Very high0 Ų049.8 Ų49.80%028%0.28CS..EExtended strand (participates in β ladder)trans-90.8125176.3-178.4-91.1000111.3N113 A115 I130 D132 H133 I134 A209 G211 M212 S213 V215N113-Y185 VanDerWaalsContact OD1-CE2 3.28Å; N113-Y185 WeakPolarHBondContact OD1-CE2 3.24Å; A115-Y185 HydrophobicContact CB-CE2 4.05Å; I130-Y185 HydrophobicContact CD1-CD2 4.48Å; I130-Y185 HydrophobicContact CD1-CG 4.42Å; D132-Y185 PolarHBondContact O-N 3.44Å; H133-Y185 CarbonylContact C-O 3.58Å; H133-Y185 WeakPolarHBondContact CA-O 3.41Å; H133-Y185 VanDerWaalsContact CB-O 3.23Å; H133-Y185 WeakPolarHBondContact CB-O 3.27Å; I134-Y185 PolarHBondContact N-O 2.94Å; Y185-A209 CarbonylContact C-O 3.58Å; Y185-A209 WeakPolarHBondContact CA-O 3.38Å; Y185-A209 HydrophobicContact CD2-CB 4.49Å; Y185-G211 WeakPolarHBondContact OH-CA 3.48Å; Y185-M212 PolarHBondContact OH-N 2.98Å; Y185-S213 VanDerWaalsContact CE1-O 3.27Å; Y185-S213 WeakPolarHBondContact CE1-O 3.33Å; Y185-S213 PolarHBondContact OH-N 2.92Å; Y185-S213 PolarHBondContact OH-O 2.81Å; Y185-V215 HydrophobicContact CD1-CG2 3.84Å; Y185-V215 HydrophobicContact CE1-CG2 3.98Å
186I98.8Very high97Very high0 Ų045.6 Ų45.60%027%0.268CS..EExtended strand (participates in β ladder)trans-101.6123.9171.6-169.2162.4000111.2I134 F136 F188 A202 A207 A209 V210 G211I134-I186 HydrophobicContact CB-CB 4.13Å; I134-I186 HydrophobicContact CB-CD1 4.04Å; I134-I186 HydrophobicContact CB-CG1 3.82Å; I134-I186 HydrophobicContact CD1-CD1 4.39Å; I134-I186 HydrophobicContact CG2-CD1 3.72Å; I134-I186 HydrophobicContact CG2-CG1 3.86Å; I134-I186 WeakPolarHBondContact O-CA 3.35Å; F136-I186 HydrophobicContact CB-CD1 3.93Å; F136-I186 HydrophobicContact CB-CG1 3.78Å; F136-I186 HydrophobicContact CG-CD1 4.29Å; I186-F188 HydrophobicContact CB-CE2 4.46Å; I186-F188 HydrophobicContact CD1-CE2 3.74Å; I186-F188 HydrophobicContact CG1-CD2 4.03Å; I186-F188 HydrophobicContact CG1-CE2 3.72Å; I186-F188 HydrophobicContact CG2-CD2 4.22Å; I186-F188 HydrophobicContact CG2-CE2 3.92Å; I186-A202 HydrophobicContact CD1-CB 4.36Å; I186-A202 HydrophobicContact CG2-CB 4.17Å; I186-A207 HydrophobicContact CB-CB 3.68Å; I186-A207 HydrophobicContact CD1-CB 4.41Å; I186-A207 HydrophobicContact CG2-CB 3.5Å; I186-A209 WeakPolarHBondContact CG2-O 3.36Å; I186-A209 PolarHBondContact N-O 3.3Å; I186-V210 HydrophobicContact CG2-CB 3.73Å; I186-V210 HydrophobicContact CG2-CG2 3.86Å; I186-V210 WeakPolarHBondContact O-CA 3.44Å; I186-G211 PolarHBondContact O-N 3.4Å
187G98.6Very high97Very high0 Ų046.7 Ų46.70%028%0.281CS..EExtended strand (participates in β ladder)trans-91.7112.4177.700000111.8I134 F136 M137 G211I134-G187 PolarHBondContact O-N 2.77Å; F136-G187 CarbonylContact C-O 3.56Å; F136-G187 VanDerWaalsContact CA-O 3.24Å; F136-G187 WeakPolarHBondContact CA-O 3.46Å; F136-G187 WeakPolarHBondContact CB-O 3.31Å; F136-G187 PolarHBondContact N-O 3.47Å; M137-G187 VanDerWaalsContact CG-O 3.26Å; M137-G187 WeakPolarHBondContact CG-O 3.23Å; M137-G187 PolarHBondContact N-O 3.42Å; G187-G211 WeakPolarHBondContact CA-O 3.17Å
188F98.3Very high97Very high19 Ų1945.7 Ų45.78%0.08326%0.26CS..  trans-95.5165.9168.3-82.5-119.8000110.1F136 I186 E194 E198 M201 V210 G211 M212F136-F188 HydrophobicContact CB-CD2 4.25Å; F136-F188 HydrophobicContact CB-CE2 4.21Å; F136-F188 HydrophobicContact CD1-CD1 4.12Å; F136-F188 HydrophobicContact CD1-CD2 4.28Å; F136-F188 AromaticContact CD1-CE1 3.73Å; F136-F188 HydrophobicContact CD1-CE1 3.73Å; F136-F188 AromaticContact CD1-CE2 3.91Å; F136-F188 HydrophobicContact CD1-CE2 3.91Å; F136-F188 HydrophobicContact CD1-CG 4.38Å; F136-F188 AromaticContact CD1-CZ 3.61Å; F136-F188 HydrophobicContact CD1-CZ 3.61Å; F136-F188 HydrophobicContact CE1-CE1 4Å; F136-F188 HydrophobicContact CE1-CZ 4.03Å; F136-F188 HydrophobicContact CG-CE2 4.29Å; F136-F188 HydrophobicContact CG-CZ 4.35Å; I186-F188 HydrophobicContact CB-CE2 4.46Å; I186-F188 HydrophobicContact CD1-CE2 3.74Å; I186-F188 HydrophobicContact CG1-CD2 4.03Å; I186-F188 HydrophobicContact CG1-CE2 3.72Å; I186-F188 HydrophobicContact CG2-CD2 4.22Å; I186-F188 HydrophobicContact CG2-CE2 3.92Å; F188-E194 HydrophobicContact CD1-CG 4.06Å; F188-E194 HydrophobicContact CE1-CG 4.02Å; F188-E194 HydrophobicContact CG-CG 4.48Å; F188-E194 HydrophobicContact CZ-CG 4.42Å; F188-E198 HydrophobicContact CE1-CB 4.45Å; F188-M201 HydrophobicContact CE1-CE 4.42Å; F188-M201 HydrophobicContact CZ-CE 3.85Å; F188-V210 HydrophobicContact CB-CG2 4.47Å; F188-V210 HydrophobicContact CD2-CG2 3.52Å; F188-V210 HydrophobicContact CE2-CG2 3.94Å; F188-V210 HydrophobicContact CG-CG2 4.11Å; F188-G211 PolarHBondContact N-O 3.48Å; F188-M212 WeakPolarHBondContact O-CA 3.46Å
189T97.9Very high97Very high50 Ų5044.9 Ų44.931%0.30726%0.256SS..  trans-75.4-38.7175.758.70000112.7Y85 Y86 M137Y85-T189 HydrophobicContact CD1-CG2 3.78Å; Y85-T189 HydrophobicContact CE1-CG2 3.99Å; Y86-T189 WeakPolarHBondContact CB-O 3.38Å; Y86-T189 WeakPolarHBondContact CD1-O 3.36Å; M137-T189 HydrophobicContact CB-CG2 4.05Å; M137-T189 VanDerWaalsContact O-CG2 3.3Å; M137-T189 WeakPolarHBondContact O-CG2 3.31Å
190G95.5Very high97.1Very high14 Ų1445.7 Ų45.714%0.14425%0.25CC..  trans71-167.3-159.900000112.2
191P93.3Very high97.1Very high95 Ų9547.8 Ų47.862%0.61726%0.26SS*.SBendcis-85.6-11.41.233.8-35.3000114Y86 Y193Y86-P191 HydrophobicContact CD2-CB 4.41Å; Y86-P191 HydrophobicContact CG-CB 4.31Å; P191-Y193 PolarHBondContact O-N 2.85Å
192T94.2Very high97.1Very high114 Ų11445.9 Ų45.970%0.69925%0.251SS*.SBendtrans-68.4133.2174.152.40000109.3
193Y93Very high97Very high85 Ų8545.7 Ų45.733%0.33325%0.247SC..PPolyproline II helixtrans-57.2160.7162.8-66.8-66.1000110.4P191 M212 L245P191-Y193 PolarHBondContact O-N 2.85Å; Y193-M212 HydrophobicContact CD1-CE 3.94Å; Y193-M212 HydrophobicContact CE1-CE 4.32Å; Y193-L245 HydrophobicContact CD1-CD1 4.09Å; Y193-L245 HydrophobicContact CD2-CB 3.74Å; Y193-L245 HydrophobicContact CD2-CD1 4.24Å; Y193-L245 HydrophobicContact CE2-CB 3.92Å; Y193-L245 HydrophobicContact CG-CB 4.13Å; Y193-L245 HydrophobicContact CG-CD1 3.77Å
194E95.6Very high97Very high18 Ų1851.4 Ų51.48%0.08428%0.281CS..PPolyproline II helixtrans-70.4157.7-177.4-56.272.4-146.900111.2F188 E198 I199 V210 A239F188-E194 HydrophobicContact CD1-CG 4.06Å; F188-E194 HydrophobicContact CE1-CG 4.02Å; F188-E194 HydrophobicContact CG-CG 4.48Å; F188-E194 HydrophobicContact CZ-CG 4.42Å; E194-E198 HydrophobicContact CB-CB 4Å; E194-I199 HydrophobicContact CB-CD1 3.47Å; E194-I199 VanDerWaalsContact CB-CD1 3.47Å; E194-I199 HydrophobicContact CB-CG1 3.82Å; E194-I199 HydrophobicContact CG-CD1 3.67Å; E194-V210 HydrophobicContact CG-CG2 4.19Å; E194-V210 WeakPolarHBondContact OE1-CG2 3.3Å; E194-A239 WeakPolarHBondContact O-CB 3.35Å
195T96Very high96.9Very high67 Ų6754.2 Ų54.241%0.41129%0.294SS..PPolyproline II helixtrans-79.5157.6164.164.10000110.3A197 E198 I199T195-A197 PolarHBondContact O-N 2.82Å; T195-A197 VanDerWaalsContact O-N 3.08Å; T195-E198 WeakPolarHBondContact CB-OE2 3.09Å; T195-E198 WeakPolarHBondContact CG2-OE2 3.46Å; T195-E198 PolarHBondContact N-OE2 3.43Å; T195-E198 PolarHBondContact O-N 2.91Å; T195-E198 VanDerWaalsContact OG1-CD 3.26Å; T195-E198 WeakPolarHBondContact OG1-CG 3.32Å; T195-E198 PolarHBondContact OG1-N 3.39Å; T195-E198 PolarHBondContact OG1-OE2 3.29Å; T195-I199 PolarHBondContact O-N 2.94Å
196P95.7Very high96.9Very high60 Ų6056.1 Ų56.139%0.3931%0.313SS..Hα-helixtrans-55.9-27.8172.6-27.935.8000114.2R200P196-R200 WeakPolarHBondContact O-CG 3.19Å; P196-R200 PolarHBondContact O-N 2.98Å; P196-R200 VanDerWaalsContact O-N 3.15Å; P196-R200 PolarHBondContact O-NH1 3.2Å
197A97.5Very high96.9Very high52 Ų5256.2 Ų56.243%0.4331%0.314SS..Hα-helixtrans-72.7-41.7176.300000111.9T195 I199 R200 M201T195-A197 PolarHBondContact O-N 2.82Å; T195-A197 VanDerWaalsContact O-N 3.08Å; A197-I199 VanDerWaalsContact C-N 3.32Å; A197-R200 PolarHBondContact O-N 3.02Å; A197-M201 PolarHBondContact O-N 3.3Å
198E98Very high96.9Very high75 Ų7557.7 Ų57.735%0.3532%0.322SS..Hα-helixtrans-64.6-35.5174.2-74.2157.4159.500111.8F188 E194 T195 M201 A202F188-E198 HydrophobicContact CE1-CB 4.45Å; E194-E198 HydrophobicContact CB-CB 4Å; T195-E198 WeakPolarHBondContact CB-OE2 3.09Å; T195-E198 WeakPolarHBondContact CG2-OE2 3.46Å; T195-E198 PolarHBondContact N-OE2 3.43Å; T195-E198 PolarHBondContact O-N 2.91Å; T195-E198 VanDerWaalsContact OG1-CD 3.26Å; T195-E198 WeakPolarHBondContact OG1-CG 3.32Å; T195-E198 PolarHBondContact OG1-N 3.39Å; T195-E198 PolarHBondContact OG1-OE2 3.29Å; E198-M201 WeakPolarHBondContact O-CB 3.38Å; E198-M201 PolarHBondContact O-N 2.91Å; E198-A202 WeakPolarHBondContact O-CB 3.21Å; E198-A202 PolarHBondContact O-N 3.43Å
199I97.4Very high96.9Very high2 Ų256.8 Ų56.81%0.0132%0.318CS..Hα-helixtrans-67.2-42.1173.5-63.8-50.4000112.3V118 E194 T195 A197 M201 A202 R203 V210 A238 A239 M241V118-I199 HydrophobicContact CG1-CG2 4.3Å; V118-I199 HydrophobicContact CG2-CD1 4.45Å; E194-I199 HydrophobicContact CB-CD1 3.47Å; E194-I199 VanDerWaalsContact CB-CD1 3.47Å; E194-I199 HydrophobicContact CB-CG1 3.82Å; E194-I199 HydrophobicContact CG-CD1 3.67Å; T195-I199 PolarHBondContact O-N 2.94Å; A197-I199 VanDerWaalsContact C-N 3.32Å; I199-M201 VanDerWaalsContact C-N 3.28Å; I199-M201 PolarHBondContact O-N 3.38Å; I199-A202 PolarHBondContact O-N 2.71Å; I199-R203 PolarHBondContact O-N 2.98Å; I199-V210 HydrophobicContact CD1-CG1 3.97Å; I199-A238 HydrophobicContact CB-CB 4.42Å; I199-A238 HydrophobicContact CD1-CB 3.55Å; I199-A238 HydrophobicContact CG1-CB 3.74Å; I199-A238 HydrophobicContact CG2-CB 3.77Å; I199-A239 HydrophobicContact CG1-CB 4.07Å; I199-M241 HydrophobicContact CG2-SD 4.39Å
200R97.2Very high96.9Very high140 Ų14054.5 Ų54.553%0.52830%0.304SS..Hα-helixtrans-62-38.4172-71.8-169.5-54.4-86.22.8111.7P196 A197 T204P196-R200 WeakPolarHBondContact O-CG 3.19Å; P196-R200 PolarHBondContact O-N 2.98Å; P196-R200 VanDerWaalsContact O-N 3.15Å; P196-R200 PolarHBondContact O-NH1 3.2Å; A197-R200 PolarHBondContact O-N 3.02Å; R200-T204 WeakPolarHBondContact O-CB 3.35Å; R200-T204 PolarHBondContact O-N 3.39Å; R200-T204 PolarHBondContact O-OG1 2.83Å
201M98.3Very high97Very high64 Ų6454.2 Ų54.232%0.31530%0.301SS..Hα-helixtrans-61.5-50.3173.9175.1-165.875.400110.8F136 F188 A197 E198 I199 R203 T204 M205F136-M201 HydrophobicContact CD1-CE 4.35Å; F136-M201 HydrophobicContact CE1-CE 3.61Å; F136-M201 HydrophobicContact CE2-CE 4.18Å; F136-M201 HydrophobicContact CZ-CE 3.5Å; F136-M201 HydrophobicContact CZ-SD 4.03Å; F188-M201 HydrophobicContact CE1-CE 4.42Å; F188-M201 HydrophobicContact CZ-CE 3.85Å; A197-M201 PolarHBondContact O-N 3.3Å; E198-M201 WeakPolarHBondContact O-CB 3.38Å; E198-M201 PolarHBondContact O-N 2.91Å; I199-M201 VanDerWaalsContact C-N 3.28Å; I199-M201 PolarHBondContact O-N 3.38Å; M201-R203 VanDerWaalsContact C-N 3.33Å; M201-R203 PolarHBondContact O-N 3.27Å; M201-T204 CarbonylContact O-C 3.58Å; M201-T204 WeakPolarHBondContact O-CA 3.47Å; M201-T204 WeakPolarHBondContact O-CB 3.49Å; M201-T204 PolarHBondContact O-N 2.74Å; M201-M205 HydrophobicContact CE-SD 4.47Å; M201-M205 HydrophobicContact CG-CG 4.48Å; M201-M205 HydrophobicContact CG-SD 3.98Å; M201-M205 WeakPolarHBondContact O-CG 3.35Å; M201-M205 PolarHBondContact O-N 2.69Å; M201-M205 HydrophobicContact SD-SD 4.48Å
202A98.3Very high97.2Very high0 Ų051.2 Ų51.20%028%0.279CS..Hα-helixtrans-56.1-4617800000111.8V118 I186 E198 I199 T204 M205 G206 A207V118-A202 HydrophobicContact CG1-CB 4.24Å; I186-A202 HydrophobicContact CD1-CB 4.36Å; I186-A202 HydrophobicContact CG2-CB 4.17Å; E198-A202 WeakPolarHBondContact O-CB 3.21Å; E198-A202 PolarHBondContact O-N 3.43Å; I199-A202 PolarHBondContact O-N 2.71Å; A202-T204 PolarHBondContact O-N 2.67Å; A202-M205 WeakPolarHBondContact O-CB 3.41Å; A202-M205 PolarHBondContact O-N 3.06Å; A202-M205 VanDerWaalsContact O-N 3.16Å; A202-G206 PolarHBondContact O-N 2.98Å; A202-A207 HydrophobicContact CB-CB 4.22Å; A202-A207 WeakPolarHBondContact O-CB 3.47Å; A202-A207 PolarHBondContact O-N 3.48Å
203R97.1Very high97.3Very high73 Ų7346.3 Ų46.328%0.27525%0.249SC..Hα-helixtrans-60.3-44.5174.1-169179.4-57.5125.616.3112.2V118 E120 I199 M201 M205 G206 M241V118-R203 HydrophobicContact CG1-CB 3.7Å; V118-R203 HydrophobicContact CG1-CG 4.39Å; V118-R203 PolarHBondContact O-NE 2.97Å; V118-R203 PolarHBondContact O-NH2 2.8Å; E120-R203 IonicContact OE1-CZ 3.87Å; E120-R203 VanDerWaalsContact OE1-CZ 3.31Å; E120-R203 IonicContact OE1-NE 2.71Å; E120-R203 IonicContact OE1-NH1 2.77Å; E120-R203 PolarHBondContact OE1-NH1 3.43Å; I199-R203 PolarHBondContact O-N 2.98Å; M201-R203 VanDerWaalsContact C-N 3.33Å; M201-R203 PolarHBondContact O-N 3.27Å; R203-M205 PolarHBondContact O-N 2.85Å; R203-G206 PolarHBondContact O-N 2.77Å; R203-M241 PolarHBondContact NH2-SD 2.91Å
204T98.1Very high97.6Very high124 Ų12442.2 Ų42.276%0.76123%0.233SC*.Hα-helixtrans-62.3-32.5177.1-55.20000111.8R200 M201 A202 G206R200-T204 WeakPolarHBondContact O-CB 3.35Å; R200-T204 PolarHBondContact O-N 3.39Å; R200-T204 PolarHBondContact O-OG1 2.83Å; M201-T204 CarbonylContact O-C 3.58Å; M201-T204 WeakPolarHBondContact O-CA 3.47Å; M201-T204 WeakPolarHBondContact O-CB 3.49Å; M201-T204 PolarHBondContact O-N 2.74Å; A202-T204 PolarHBondContact O-N 2.67Å; T204-G206 PolarHBondContact O-N 2.88Å
205M98.2Very high97.8Very high87 Ų8741.4 Ų41.443%0.42923%0.229SC..THydrogen-bonded Turntrans-76.8-5.1174.5-67.2176.268.600113.6I134 F136 M201 A202 R203I134-M205 HydrophobicContact CD1-CB 4.2Å; I134-M205 WeakPolarHBondContact CD1-O 3.36Å; I134-M205 HydrophobicContact CG2-CE 4.06Å; F136-M205 HydrophobicContact CD2-CE 4.02Å; F136-M205 HydrophobicContact CD2-SD 4.42Å; F136-M205 HydrophobicContact CE2-CE 4.15Å; F136-M205 HydrophobicContact CE2-SD 4.2Å; M201-M205 HydrophobicContact CE-SD 4.47Å; M201-M205 HydrophobicContact CG-CG 4.48Å; M201-M205 HydrophobicContact CG-SD 3.98Å; M201-M205 WeakPolarHBondContact O-CG 3.35Å; M201-M205 PolarHBondContact O-N 2.69Å; M201-M205 HydrophobicContact SD-SD 4.48Å; A202-M205 WeakPolarHBondContact O-CB 3.41Å; A202-M205 PolarHBondContact O-N 3.06Å; A202-M205 VanDerWaalsContact O-N 3.16Å; R203-M205 PolarHBondContact O-N 2.85Å
206G98.3Very high97.9Very high40 Ų4038.3 Ų38.341%0.41221%0.211SC..THydrogen-bonded Turntrans91.916.7178.800000115V184 A202 R203 T204V184-G206 WeakPolarHBondContact CB-O 3.27Å; A202-G206 PolarHBondContact O-N 2.98Å; R203-G206 PolarHBondContact O-N 2.77Å; T204-G206 PolarHBondContact O-N 2.88Å
207A98.7Very high98Very high2 Ų235.6 Ų35.62%0.01719%0.193CC..  trans-81.8140.6175.200000112.3V118 I134 I186 A202V118-A207 VanDerWaalsContact CG1-O 3.29Å; V118-A207 WeakPolarHBondContact CG1-O 3.38Å; I134-A207 HydrophobicContact CD1-CB 4.38Å; I186-A207 HydrophobicContact CB-CB 3.68Å; I186-A207 HydrophobicContact CD1-CB 4.41Å; I186-A207 HydrophobicContact CG2-CB 3.5Å; A202-A207 HydrophobicContact CB-CB 4.22Å; A202-A207 WeakPolarHBondContact O-CB 3.47Å; A202-A207 PolarHBondContact O-N 3.48Å
208D98.6Very high98.1Very high30 Ų3033.1 Ų33.116%0.1617%0.172CC..SBendtrans-105.3-27.2176.9-63.7-72000112.6V118 N119 F122 M128 G183 V184V118-D208 WeakPolarHBondContact CA-O 3.45Å; V118-D208 WeakPolarHBondContact CB-O 3.3Å; V118-D208 PolarHBondContact N-O 3.11Å; N119-D208 HydrophobicContact CB-CB 4.07Å; N119-D208 PolarHBondContact N-O 2.83Å; N119-D208 PolarHBondContact ND2-OD1 2.97Å; F122-D208 HydrophobicContact CE2-CB 3.76Å; F122-D208 WeakPolarHBondContact CE2-O 3.4Å; F122-D208 HydrophobicContact CZ-CB 3.9Å; M128-D208 HydrophobicContact SD-CB 4.16Å; G183-D208 WeakPolarHBondContact CA-OD2 3.38Å; V184-D208 PolarHBondContact N-OD2 3.45Å; V184-D208 PolarHBondContact O-N 3.1Å
209A98.5Very high98.1Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-140.8147.8174.300000111.4A115 G116 M128 V184 Y185 I186 I234A115-A209 HydrophobicContact CB-CB 3.96Å; G116-A209 CarbonylContact O-C 3.52Å; G116-A209 VanDerWaalsContact O-CA 3.27Å; G116-A209 WeakPolarHBondContact O-CA 3.33Å; M128-A209 HydrophobicContact CE-CB 3.7Å; M128-A209 HydrophobicContact SD-CB 3.69Å; V184-A209 PolarHBondContact O-N 3.25Å; Y185-A209 CarbonylContact C-O 3.58Å; Y185-A209 WeakPolarHBondContact CA-O 3.38Å; Y185-A209 HydrophobicContact CD2-CB 4.49Å; I186-A209 WeakPolarHBondContact CG2-O 3.36Å; I186-A209 PolarHBondContact N-O 3.3Å; A209-I234 HydrophobicContact CB-CD1 3.77Å
210V98.3Very high98.2Very high3 Ų329.9 Ų29.92%0.01816%0.157CC..EExtended strand (participates in β ladder)trans-118.5141.8178.460.20000110.9A115 G116 V118 I186 F188 E194 I199 A238A115-V210 CarbonylContact C-O 3.57Å; A115-V210 VanDerWaalsContact CA-O 3.26Å; A115-V210 WeakPolarHBondContact CA-O 3.43Å; A115-V210 WeakPolarHBondContact CB-O 3.46Å; G116-V210 PolarHBondContact N-O 3.44Å; G116-V210 PolarHBondContact O-N 2.87Å; V118-V210 HydrophobicContact CG2-CB 3.89Å; V118-V210 HydrophobicContact CG2-CG1 3.78Å; I186-V210 HydrophobicContact CG2-CB 3.73Å; I186-V210 HydrophobicContact CG2-CG2 3.86Å; I186-V210 WeakPolarHBondContact O-CA 3.44Å; F188-V210 HydrophobicContact CB-CG2 4.47Å; F188-V210 HydrophobicContact CD2-CG2 3.52Å; F188-V210 HydrophobicContact CE2-CG2 3.94Å; F188-V210 HydrophobicContact CG-CG2 4.11Å; E194-V210 HydrophobicContact CG-CG2 4.19Å; E194-V210 WeakPolarHBondContact OE1-CG2 3.3Å; I199-V210 HydrophobicContact CD1-CG1 3.97Å; V210-A238 HydrophobicContact CG1-CB 4.3Å
211G97.2Very high98.3Very high7 Ų723.2 Ų23.27%0.07213%0.132CC..EExtended strand (participates in β ladder)trans-162.4-169.5167.200000112.9Y185 I186 G187 F188Y185-G211 WeakPolarHBondContact OH-CA 3.48Å; I186-G211 PolarHBondContact O-N 3.4Å; G187-G211 WeakPolarHBondContact CA-O 3.17Å; F188-G211 PolarHBondContact N-O 3.48Å
212M97Very high98.3Very high32 Ų3221.4 Ų21.416%0.15813%0.125CC..SBendtrans-119.525.9-164.6-54.6174.3-174.800113.4Y86 Y185 F188 Y193Y86-M212 HydrophobicContact CD1-CB 3.91Å; Y86-M212 HydrophobicContact CD1-SD 4.22Å; Y86-M212 HydrophobicContact CE1-CB 3.85Å; Y86-M212 HydrophobicContact CE1-SD 4.26Å; Y185-M212 PolarHBondContact OH-N 2.98Å; F188-M212 WeakPolarHBondContact O-CA 3.46Å; Y193-M212 HydrophobicContact CD1-CE 3.94Å; Y193-M212 HydrophobicContact CE1-CE 4.32Å
213S97.2Very high98.3Very high11 Ų1121.5 Ų21.58%0.07713%0.126CC..SBendtrans-155.1-166.9-17369.90000111.7R82 Y185 V215R82-S213 PolarHBondContact NH1-OG 2.86Å; Y185-S213 VanDerWaalsContact CE1-O 3.27Å; Y185-S213 WeakPolarHBondContact CE1-O 3.33Å; Y185-S213 PolarHBondContact OH-N 2.92Å; Y185-S213 PolarHBondContact OH-O 2.81Å; S213-V215 PolarHBondContact O-N 3.27Å
214T98.7Very high98.3Very high0 Ų019.4 Ų19.40%012%0.123CC..SBendtrans75.4-50.9163.2-56.20000115R82 V111 N113 I130 E217 V218R82-T214 PolarHBondContact NH1-OG1 2.97Å; R82-T214 VanDerWaalsContact NH2-N 3.11Å; R82-T214 PolarHBondContact NH2-OG1 3.45Å; V111-T214 HydrophobicContact CB-CG2 4.05Å; V111-T214 HydrophobicContact CG2-CG2 3.61Å; N113-T214 PolarHBondContact ND2-OG1 3.3Å; I130-T214 HydrophobicContact CD1-CG2 4.36Å; T214-E217 WeakPolarHBondContact CA-OE2 3.4Å; T214-E217 PolarHBondContact N-OE2 2.87Å; T214-E217 PolarHBondContact O-N 2.8Å; T214-V218 HydrophobicContact CG2-CG2 3.95Å; T214-V218 WeakPolarHBondContact O-CG2 3.17Å; T214-V218 PolarHBondContact O-N 3.47Å
215V98.8Very high98.3Very high0 Ų016.7 Ų16.70%012%0.119CC..Hα-helixtrans-54.1-46.3-179.7174.90000112.3H133 N135 Y185 S213 E217 V218 I219H133-V215 HydrophobicContact CB-CG2 4.13Å; N135-V215 HydrophobicContact CB-CG1 3.61Å; Y185-V215 HydrophobicContact CD1-CG2 3.84Å; Y185-V215 HydrophobicContact CE1-CG2 3.98Å; S213-V215 PolarHBondContact O-N 3.27Å; V215-E217 PolarHBondContact O-N 2.84Å; V215-V218 PolarHBondContact O-N 3.07Å; V215-I219 HydrophobicContact CG1-CD1 3.81Å; V215-I219 HydrophobicContact CG1-CG1 4.48Å; V215-I219 VanDerWaalsContact O-CG1 3.32Å; V215-I219 WeakPolarHBondContact O-CG1 3.35Å; V215-I219 PolarHBondContact O-N 3.37Å
216P98.8Very high98.3Very high3 Ų313.2 Ų13.22%0.01910%0.102CC..Hα-helixtrans-61.1-45177.7-23.835.7000112.9M91 V94 T95 M137 P141 V218 I219 V220M91-P216 HydrophobicContact CE-CG 3.97Å; M91-P216 HydrophobicContact SD-CB 3.84Å; M91-P216 HydrophobicContact SD-CG 3.7Å; V94-P216 HydrophobicContact CG1-CB 4.23Å; T95-P216 HydrophobicContact CG2-CB 3.58Å; T95-P216 WeakPolarHBondContact CG2-O 3.3Å; M137-P216 HydrophobicContact CE-CG 4.28Å; M137-P216 HydrophobicContact SD-CG 3.54Å; M137-P216 VanDerWaalsContact SD-CG 3.54Å; P141-P216 HydrophobicContact CG-CB 4.24Å; P216-V218 VanDerWaalsContact C-N 3.34Å; P216-V218 PolarHBondContact O-N 2.94Å; P216-I219 PolarHBondContact O-N 2.9Å; P216-V220 PolarHBondContact O-N 3.23Å; P216-V220 VanDerWaalsContact O-N 3.08Å
217E98.8Very high98.3Very high3 Ų315.3 Ų15.31%0.01410%0.1CC..Hα-helixtrans-64.6-38.9179.7-6599.513700112I28 R82 V98 T214 V215 V220 A221I28-E217 HydrophobicContact CD1-CB 4.04Å; I28-E217 HydrophobicContact CD1-CG 4.01Å; R82-E217 IonicContact CZ-OE1 2.76Å; R82-E217 VanDerWaalsContact CZ-OE1 3.28Å; R82-E217 IonicContact NE-OE1 2.67Å; R82-E217 PolarHBondContact NE-OE1 3.34Å; R82-E217 VanDerWaalsContact NE-OE1 3.11Å; R82-E217 IonicContact NH2-OE1 2.74Å; R82-E217 PolarHBondContact NH2-OE1 3.16Å; R82-E217 IonicContact NH2-OE2 2.87Å; R82-E217 PolarHBondContact NH2-OE2 3.37Å; V98-E217 HydrophobicContact CG2-CB 3.76Å; V98-E217 HydrophobicContact CG2-CG 3.88Å; T214-E217 WeakPolarHBondContact CA-OE2 3.4Å; T214-E217 PolarHBondContact N-OE2 2.87Å; T214-E217 PolarHBondContact O-N 2.8Å; V215-E217 PolarHBondContact O-N 2.84Å; E217-V220 PolarHBondContact O-N 3.48Å; E217-A221 VanDerWaalsContact O-CB 3.27Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.76Å
218V98.9Very high98.3Very high0 Ų015.3 Ų15.30%010%0.099CC..Hα-helixtrans-65.5-44.2176.2173.70000111.3V111 A160 Y161 T214 V215 P216 V220 A221 S222 V228V111-V218 HydrophobicContact CG1-CG2 4.5Å; V111-V218 HydrophobicContact CG2-CG2 3.97Å; A160-V218 HydrophobicContact CB-CG1 4.05Å; Y161-V218 HydrophobicContact CE1-CG1 4.39Å; Y161-V218 HydrophobicContact CE1-CG2 4.01Å; Y161-V218 HydrophobicContact CE2-CG1 4.29Å; T214-V218 HydrophobicContact CG2-CG2 3.95Å; T214-V218 WeakPolarHBondContact O-CG2 3.17Å; T214-V218 PolarHBondContact O-N 3.47Å; V215-V218 PolarHBondContact O-N 3.07Å; P216-V218 VanDerWaalsContact C-N 3.34Å; P216-V218 PolarHBondContact O-N 2.94Å; V218-V220 VanDerWaalsContact C-N 3.3Å; V218-V220 PolarHBondContact O-N 3.25Å; V218-A221 PolarHBondContact O-N 2.98Å; V218-S222 PolarHBondContact O-N 2.82Å; V218-S222 PolarHBondContact O-OG 2.98Å; V218-S222 VanDerWaalsContact O-OG 3.13Å; V218-V228 HydrophobicContact CG1-CG1 4.36Å; V218-V228 HydrophobicContact CG2-CG1 3.95Å
219I98.8Very high98.3Very high8 Ų814 Ų144%0.0419%0.093CC..Hα-helixtrans-57.7-44.8175.7-69.8164.8000110.8P141 L142 M157 V215 P216 H223P141-I219 HydrophobicContact CG-CB 4.03Å; P141-I219 HydrophobicContact CG-CG2 3.81Å; L142-I219 HydrophobicContact CD1-CG2 3.54Å; L142-I219 HydrophobicContact CG-CG2 3.82Å; M157-I219 HydrophobicContact CE-CB 4.49Å; M157-I219 HydrophobicContact CE-CG1 3.83Å; V215-I219 HydrophobicContact CG1-CD1 3.81Å; V215-I219 HydrophobicContact CG1-CG1 4.48Å; V215-I219 VanDerWaalsContact O-CG1 3.32Å; V215-I219 WeakPolarHBondContact O-CG1 3.35Å; V215-I219 PolarHBondContact O-N 3.37Å; P216-I219 PolarHBondContact O-N 2.9Å; I219-H223 WeakPolarHBondContact O-CB 3.36Å; I219-H223 PolarHBondContact O-N 2.8Å
220V98.7Very high98.3Very high1 Ų114 Ų141%0.0069%0.093CC..Hα-helixtrans-71.4-34179.3166.80000112.6T95 V98 R99 P141 L142 P216 E217 V218 S224T95-V220 HydrophobicContact CG2-CB 4.24Å; T95-V220 HydrophobicContact CG2-CG2 3.75Å; V98-V220 HydrophobicContact CB-CG1 3.93Å; V98-V220 HydrophobicContact CG1-CB 4.46Å; V98-V220 HydrophobicContact CG1-CG1 3.87Å; R99-V220 VanDerWaalsContact CD-CG1 3.48Å; R99-V220 HydrophobicContact CG-CG1 3.86Å; R99-V220 VanDerWaalsContact NE-CG1 3.31Å; P141-V220 HydrophobicContact CB-CG2 3.72Å; P141-V220 HydrophobicContact CG-CG2 3.76Å; L142-V220 HydrophobicContact CD2-CG2 4.16Å; P216-V220 PolarHBondContact O-N 3.23Å; P216-V220 VanDerWaalsContact O-N 3.08Å; E217-V220 PolarHBondContact O-N 3.48Å; V218-V220 VanDerWaalsContact C-N 3.3Å; V218-V220 PolarHBondContact O-N 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.42Å; V220-S224 PolarHBondContact O-N 3.01Å; V220-S224 PolarHBondContact O-OG 3.4Å
221A98.6Very high98.3Very high0 Ų013.9 Ų13.90%09%0.092CC..Hα-helixtrans-63.1-49.5173.100000111V98 V109 E217 V218 H223 S224 G225 L226 V228V98-A221 HydrophobicContact CG1-CB 3.97Å; V109-A221 HydrophobicContact CG1-CB 3.78Å; E217-A221 VanDerWaalsContact O-CB 3.27Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.76Å; V218-A221 PolarHBondContact O-N 2.98Å; A221-H223 PolarHBondContact O-N 3.14Å; A221-S224 CarbonylContact O-C 3.58Å; A221-S224 WeakPolarHBondContact O-CA 3.44Å; A221-S224 PolarHBondContact O-N 3.42Å; A221-G225 PolarHBondContact O-N 3.44Å; A221-G225 VanDerWaalsContact O-N 3.15Å; A221-L226 HydrophobicContact CB-CB 4.12Å; A221-L226 HydrophobicContact CB-CD1 4.24Å; A221-L226 WeakPolarHBondContact O-CB 3.39Å; A221-L226 PolarHBondContact O-N 2.86Å; A221-V228 HydrophobicContact CB-CG2 3.69Å
222S98.2Very high98.3Very high25 Ų2513.5 Ų13.518%0.1759%0.088CC..Hα-helixtrans-60.4-43.4176.1-58.60000111.9V218 S224 G225V218-S222 PolarHBondContact O-N 2.82Å; V218-S222 PolarHBondContact O-OG 2.98Å; V218-S222 VanDerWaalsContact O-OG 3.13Å; S222-S224 PolarHBondContact O-N 2.93Å; S222-G225 PolarHBondContact O-N 3Å
223H98.4Very high98.3Very high3 Ų312 Ų121%0.0148%0.081CC..Hα-helixtrans-59.4-36.2173.8-178.5-75.4000112.5R99 L142 N146 M150 G151 P152 P155 I219 A221 G225R99-H223 PolarHBondContact NH1-ND1 3.19Å; R99-H223 PolarHBondContact NH2-CE1 3.08Å; R99-H223 PolarHBondContact NH2-ND1 3.36Å; L142-H223 HydrophobicContact CD1-CB 4.02Å; L142-H223 HydrophobicContact CD2-CB 4.1Å; N146-H223 PolarHBondContact OD1-NE2 3.21Å; N146-H223 VanDerWaalsContact OD1-NE2 3.09Å; M150-H223 VanDerWaalsContact C-CE1 3.44Å; M150-H223 PolarHBondContact O-CE1 3.39Å; M150-H223 VanDerWaalsContact O-CE1 3.27Å; M150-H223 PolarHBondContact O-ND1 2.91Å; G151-H223 WeakPolarHBondContact CA-CE1 3.26Å; G151-H223 VanDerWaalsContact CA-O 3.28Å; G151-H223 WeakPolarHBondContact CA-O 3.32Å; G151-H223 PolarHBondContact N-CE1 2.95Å; P152-H223 PolarHBondContact O-CD2 2.79Å; P152-H223 PolarHBondContact O-NE2 3.23Å; P155-H223 HydrophobicContact CB-CB 4.44Å; P155-H223 HydrophobicContact CG-CB 4.42Å; I219-H223 WeakPolarHBondContact O-CB 3.36Å; I219-H223 PolarHBondContact O-N 2.8Å; A221-H223 PolarHBondContact O-N 3.14Å; H223-G225 PolarHBondContact O-N 3.43Å
224S97.8Very high98.2Very high29 Ų2911.5 Ų11.520%0.2038%0.077CC..THydrogen-bonded Turntrans-83.85.3179.2-49.10000113R99 V220 A221 S222 L226R99-S224 PolarHBondContact NH1-OG 3.47Å; V220-S224 WeakPolarHBondContact O-CB 3.42Å; V220-S224 PolarHBondContact O-N 3.01Å; V220-S224 PolarHBondContact O-OG 3.4Å; A221-S224 CarbonylContact O-C 3.58Å; A221-S224 WeakPolarHBondContact O-CA 3.44Å; A221-S224 PolarHBondContact O-N 3.42Å; S222-S224 PolarHBondContact O-N 2.93Å; S224-L226 VanDerWaalsContact C-N 3.29Å; S224-L226 PolarHBondContact O-N 3.18Å
225G97.1Very high97.9Very high66 Ų6611.6 Ų11.668%0.688%0.078SC*.THydrogen-bonded Turntrans72.516.4-18000000114.8A221 S222 H223A221-G225 PolarHBondContact O-N 3.44Å; A221-G225 VanDerWaalsContact O-N 3.15Å; S222-G225 PolarHBondContact O-N 3Å; H223-G225 PolarHBondContact O-N 3.43Å
226L98.2Very high97.5Very high15 Ų1512 Ų128%0.0798%0.08CC..  trans-79.8142.3-179.9-57.4-177.6000111.2V98 A102 I106 A221 S224V98-L226 HydrophobicContact CG1-CD1 4.11Å; A102-L226 HydrophobicContact CB-CD1 4.25Å; A102-L226 HydrophobicContact CB-CD2 4.41Å; I106-L226 HydrophobicContact CD1-CD1 3.72Å; I106-L226 HydrophobicContact CD1-CD2 4.38Å; I106-L226 HydrophobicContact CG1-CD1 4.04Å; I106-L226 HydrophobicContact CG1-CD2 3.86Å; I106-L226 WeakPolarHBondContact O-CD2 3.43Å; A221-L226 HydrophobicContact CB-CB 4.12Å; A221-L226 HydrophobicContact CB-CD1 4.24Å; A221-L226 WeakPolarHBondContact O-CB 3.39Å; A221-L226 PolarHBondContact O-N 2.86Å; S224-L226 VanDerWaalsContact C-N 3.29Å; S224-L226 PolarHBondContact O-N 3.18Å
227K98.4Very high97.1Very high84 Ų8413.2 Ų13.237%0.3659%0.086SC..EExtended strand (participates in β ladder)trans-75.5137.9167.5-69.8-176.7173.4-167.50109.6H107 S108 V109 T162 E164 Y165H107-K227 PolarHBondContact O-N 3.09Å; S108-K227 CarbonylContact C-O 3.56Å; S108-K227 VanDerWaalsContact CA-O 3.26Å; S108-K227 WeakPolarHBondContact CA-O 3.45Å; V109-K227 PolarHBondContact N-O 2.72Å; T162-K227 HydrophobicContact CG2-CB 4.38Å; T162-K227 HydrophobicContact CG2-CD 4.15Å; T162-K227 HydrophobicContact CG2-CG 4.2Å; T162-K227 WeakPolarHBondContact OG1-CA 3.25Å; T162-K227 WeakPolarHBondContact OG1-CB 3.44Å; E164-K227 IonicContact OE2-NZ 3.7Å; E164-K227 PolarHBondContact OE2-NZ 3.19Å; Y165-K227 HydrophobicContact CD2-CB 4.2Å; Y165-K227 HydrophobicContact CE1-CD 4.01Å; Y165-K227 HydrophobicContact CE2-CB 3.48Å; Y165-K227 VanDerWaalsContact CE2-CB 3.48Å; Y165-K227 HydrophobicContact CE2-CD 4.12Å; Y165-K227 HydrophobicContact CE2-CG 4.45Å
228V98.8Very high96.4Very high1 Ų113.1 Ų13.11%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-118.9136-176.6-177.90000111.2V109 V111 A160 Y161 T162 V218 A221V109-V228 HydrophobicContact CG1-CB 4.43Å; V109-V228 HydrophobicContact CG1-CG1 4.42Å; V109-V228 HydrophobicContact CG1-CG2 3.87Å; V109-V228 WeakPolarHBondContact O-CA 3.23Å; V111-V228 HydrophobicContact CG2-CG1 4.18Å; A160-V228 WeakPolarHBondContact O-CB 3.37Å; Y161-V228 HydrophobicContact CD1-CG1 3.95Å; Y161-V228 HydrophobicContact CE1-CG1 4.16Å; T162-V228 PolarHBondContact N-O 3.38Å; T162-V228 PolarHBondContact OG1-N 3.29Å; T162-V228 PolarHBondContact OG1-O 3.4Å; V218-V228 HydrophobicContact CG1-CG1 4.36Å; V218-V228 HydrophobicContact CG2-CG1 3.95Å; A221-V228 HydrophobicContact CB-CG2 3.69Å
229L98.7Very high95.5Very high3 Ų313.6 Ų13.62%0.0169%0.09CC..EExtended strand (participates in β ladder)trans-119.2133.3161.4174.169.5000108.8V109 V110 V111 L129 Y165 A169 I268V109-L229 PolarHBondContact O-N 3.36Å; V110-L229 CarbonylContact C-O 3.53Å; V110-L229 WeakPolarHBondContact CA-O 3.48Å; V110-L229 HydrophobicContact CG1-CD2 4.18Å; V110-L229 HydrophobicContact CG1-CG 4.46Å; V110-L229 HydrophobicContact CG2-CB 4.39Å; V110-L229 HydrophobicContact CG2-CD2 4.3Å; V111-L229 PolarHBondContact N-O 3.17Å; L129-L229 HydrophobicContact CD1-CD1 3.63Å; Y165-L229 HydrophobicContact CD2-CB 4.13Å; A169-L229 HydrophobicContact CB-CD1 4.13Å; L229-I268 HydrophobicContact CD2-CD1 4.21Å; L229-I268 HydrophobicContact CD2-CG2 3.61Å
230G98.6Very high94.5Very high0 Ų016 Ų160%012%0.116CC..EExtended strand (participates in β ladder)trans-122.3130178.900000112.7V111 I130V111-G230 WeakPolarHBondContact O-CA 3.45Å; I130-G230 PolarHBondContact N-O 3.09Å
231I98.4Very high93.7Very high0 Ų018.4 Ų18.40%013%0.128CC..EExtended strand (participates in β ladder)trans-128.5120.3174.1-56.3-66.3000109.4V111 T112 N113 M128 L129 F261 I265V111-I231 PolarHBondContact O-N 3.35Å; T112-I231 VanDerWaalsContact CA-O 3.27Å; T112-I231 WeakPolarHBondContact CA-O 3.48Å; N113-I231 PolarHBondContact N-O 3.18Å; M128-I231 CarbonylContact O-C 3.57Å; M128-I231 WeakPolarHBondContact O-CA 3.44Å; L129-I231 HydrophobicContact CB-CD1 4.34Å; L129-I231 HydrophobicContact CD1-CD1 3.78Å; I231-F261 HydrophobicContact CG2-CD2 4.46Å; I231-F261 HydrophobicContact CG2-CE2 4.43Å; I231-I265 HydrophobicContact CB-CD1 4.44Å; I231-I265 HydrophobicContact CG1-CD1 3.92Å
232S97.9Very high92.8Very high0 Ų020.8 Ų20.80%014%0.139CC..EExtended strand (participates in β ladder)trans-96.6138.1169.3-68.10000110.4N113 M128N113-S232 VanDerWaalsContact CG-OG 3.22Å; N113-S232 PolarHBondContact ND2-OG 3.05Å; N113-S232 CarbonylContact O-C 3.57Å; N113-S232 WeakPolarHBondContact O-CA 3.27Å; N113-S232 VanDerWaalsContact OD1-CB 3.31Å; N113-S232 WeakPolarHBondContact OD1-CB 3.39Å; N113-S232 PolarHBondContact OD1-OG 2.67Å; M128-S232 PolarHBondContact N-O 2.76Å; M128-S232 PolarHBondContact O-N 3.45Å
233C96.3Very high91.5Very high0 Ų024.2 Ų24.20%017%0.169CC..EExtended strand (participates in β ladder)trans-90.4120.6161.41790000108.1N113 A115 L127 T235 V257N113-C233 PolarHBondContact O-N 3.16Å; A115-C233 PolarHBondContact N-O 3.09Å; L127-C233 HydrophobicContact CD2-CB 4.22Å; C233-T235 HydrophobicContact CB-CG2 4.32Å; C233-T235 PolarHBondContact O-N 2.9Å; C233-T235 VanDerWaalsContact O-N 3.1Å; C233-V257 WeakPolarHBondContact SG-CG2 3.49Å
234I96.1Very high90.5Very high0 Ų029.9 Ų29.90%020%0.2CC..EExtended strand (participates in β ladder)trans-74.499.8173.4-55.3-53.5000107.5A115 F122 P124 G125 N126 M128 A209A115-I234 HydrophobicContact CB-CD1 4.35Å; A115-I234 CarbonylContact O-C 3.56Å; A115-I234 WeakPolarHBondContact O-CA 3.48Å; F122-I234 HydrophobicContact CB-CG2 4.45Å; F122-I234 HydrophobicContact CD2-CD1 3.92Å; F122-I234 HydrophobicContact CD2-CG1 3.96Å; F122-I234 HydrophobicContact CE2-CD1 4.26Å; P124-I234 CarbonylContact C-O 3.54Å; P124-I234 WeakPolarHBondContact CA-O 3.34Å; G125-I234 PolarHBondContact N-O 3.32Å; N126-I234 HydrophobicContact CB-CB 4.21Å; N126-I234 HydrophobicContact CB-CG1 4.04Å; N126-I234 PolarHBondContact O-N 3.43Å; M128-I234 HydrophobicContact CB-CD1 4.23Å; M128-I234 HydrophobicContact CB-CG1 4.42Å; A209-I234 HydrophobicContact CB-CD1 3.77Å
235T92Very high89.4Confident3 Ų330.3 Ų30.32%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-89.2-21.8-172.148.70000113.5A114 A115 C233 V250 T253 T254A114-T235 HydrophobicContact CB-CG2 3.59Å; A115-T235 PolarHBondContact O-N 2.93Å; A115-T235 PolarHBondContact O-OG1 2.89Å; C233-T235 HydrophobicContact CB-CG2 4.32Å; C233-T235 PolarHBondContact O-N 2.9Å; C233-T235 VanDerWaalsContact O-N 3.1Å; T235-V250 HydrophobicContact CG2-CG1 3.9Å; T235-T253 WeakPolarHBondContact O-CB 3.3Å; T235-T253 PolarHBondContact O-OG1 3.24Å; T235-T253 VanDerWaalsContact O-OG1 3.08Å; T235-T254 HydrophobicContact CG2-CG2 3.56Å
236N90.9Very high88.6Confident9 Ų930.2 Ų30.25%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-155.7160.1-179.857-83.1000108.6G116 G117 L245G116-N236 CarbonylContact C-O 3.55Å; G116-N236 WeakPolarHBondContact CA-O 3.39Å; G117-N236 PolarHBondContact N-O 3.43Å; N236-L245 HydrophobicContact CB-CD2 4.22Å; N236-L245 WeakPolarHBondContact ND2-CD2 3.46Å
237L89.4Confident87.5Confident28 Ų2834.1 Ų34.115%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-73.6146.8161.3-59.1-179.1000108.6F122 P124 M241 Q242 L245F122-L237 VanDerWaalsContact O-CD2 3.32Å; F122-L237 WeakPolarHBondContact O-CD2 3.4Å; P124-L237 HydrophobicContact CG-CD2 4.49Å; P124-L237 HydrophobicContact CG-CG 4.2Å; L237-M241 HydrophobicContact CB-CB 3.8Å; L237-M241 HydrophobicContact CD1-CB 4.35Å; L237-M241 HydrophobicContact CD2-CE 4.39Å; L237-Q242 HydrophobicContact CB-CB 4.34Å; L237-Q242 HydrophobicContact CB-CG 4.22Å; L237-Q242 WeakPolarHBondContact O-CG 3.11Å; L237-Q242 PolarHBondContact O-OE1 3.42Å; L237-L245 VanDerWaalsContact O-CD2 3.3Å; L237-L245 WeakPolarHBondContact O-CD2 3.38Å
238A84.7Confident86.7Confident0 Ų033.3 Ų33.30%021%0.21CC..PPolyproline II helixtrans-69.3166.6-178.500000112.2G117 V118 I199 V210 G240 M241G117-A238 WeakPolarHBondContact O-CB 3.41Å; G117-A238 PolarHBondContact O-N 3.34Å; V118-A238 HydrophobicContact CG2-CB 4.3Å; I199-A238 HydrophobicContact CB-CB 4.42Å; I199-A238 HydrophobicContact CD1-CB 3.55Å; I199-A238 HydrophobicContact CG1-CB 3.74Å; I199-A238 HydrophobicContact CG2-CB 3.77Å; V210-A238 HydrophobicContact CG1-CB 4.3Å; A238-G240 PolarHBondContact O-N 2.65Å; A238-M241 WeakPolarHBondContact O-CB 3.49Å; A238-M241 PolarHBondContact O-N 3.31Å
239A78.8Confident85.9Confident11 Ų1136.2 Ų36.29%0.09122%0.223CC..BIsolated β-bridgetrans-54135.9-176.500000112.8E194 I199 M241 L245E194-A239 WeakPolarHBondContact O-CB 3.35Å; I199-A239 HydrophobicContact CG1-CB 4.07Å; A239-M241 VanDerWaalsContact C-N 3.26Å; A239-M241 PolarHBondContact O-N 3.08Å; A239-L245 HydrophobicContact CB-CD1 3.91Å
240G77.9Confident85Confident57 Ų5736.6 Ų36.659%0.58823%0.226SC*.THydrogen-bonded Turntrans84.1-6.2-175.500000114.7A238A238-G240 PolarHBondContact O-N 2.65Å
241M81.7Confident84.2Confident52 Ų5240 Ų4026%0.25625%0.247SC..THydrogen-bonded Turntrans-103.7-15.2169.9-59.5171.563.200112.3E120 I199 R203 L237 A238 A239E120-M241 HydrophobicContact CB-CE 4.43Å; E120-M241 HydrophobicContact CG-CE 4.11Å; I199-M241 HydrophobicContact CG2-SD 4.39Å; R203-M241 PolarHBondContact NH2-SD 2.91Å; L237-M241 HydrophobicContact CB-CB 3.8Å; L237-M241 HydrophobicContact CD1-CB 4.35Å; L237-M241 HydrophobicContact CD2-CE 4.39Å; A238-M241 WeakPolarHBondContact O-CB 3.49Å; A238-M241 PolarHBondContact O-N 3.31Å; A239-M241 VanDerWaalsContact C-N 3.26Å; A239-M241 PolarHBondContact O-N 3.08Å
242Q81.2Confident83.5Confident50 Ų5046.7 Ų46.723%0.23428%0.278CS..BIsolated β-bridgetrans-139164.3167.664.6179.458.900111.2L237 N244 L245 E249L237-Q242 HydrophobicContact CB-CB 4.34Å; L237-Q242 HydrophobicContact CB-CG 4.22Å; L237-Q242 WeakPolarHBondContact O-CG 3.11Å; L237-Q242 PolarHBondContact O-OE1 3.42Å; Q242-N244 PolarHBondContact NE2-O 2.99Å; Q242-L245 HydrophobicContact CG-CD2 3.75Å; Q242-E249 PolarHBondContact NE2-OE2 3.03Å
243A70.3Confident83Confident98 Ų9847.3 Ų47.381%0.8128%0.282SS*.SBendtrans-70.2-48.1-168.500000114
244N76.8Confident82.3Confident122 Ų12247.5 Ų47.565%0.65228%0.283SS*.  trans-135.5150.9179.7-67.5-46.4000109.5Q242Q242-N244 PolarHBondContact NE2-O 2.99Å
245L76Confident81.8Confident38 Ų3852 Ų5220%0.19930%0.304CS..  trans-114.5128.1173-61.7178.3000108.1Y193 N236 L237 A239 Q242Y193-L245 HydrophobicContact CD1-CD1 4.09Å; Y193-L245 HydrophobicContact CD2-CB 3.74Å; Y193-L245 HydrophobicContact CD2-CD1 4.24Å; Y193-L245 HydrophobicContact CE2-CB 3.92Å; Y193-L245 HydrophobicContact CG-CB 4.13Å; Y193-L245 HydrophobicContact CG-CD1 3.77Å; N236-L245 HydrophobicContact CB-CD2 4.22Å; N236-L245 WeakPolarHBondContact ND2-CD2 3.46Å; L237-L245 VanDerWaalsContact O-CD2 3.3Å; L237-L245 WeakPolarHBondContact O-CD2 3.38Å; A239-L245 HydrophobicContact CB-CD1 3.91Å; Q242-L245 HydrophobicContact CG-CD2 3.75Å
246N79.6Confident81.6Confident63 Ų6359.6 Ų59.634%0.33733%0.332SS..  trans-144.9157.1174.468.371.4000111.5A248 E249N246-A248 VanDerWaalsContact C-N 3.28Å; N246-A248 PolarHBondContact O-N 3.27Å; N246-A248 WeakPolarHBondContact OD1-CB 3.48Å; N246-A248 PolarHBondContact OD1-N 3.42Å; N246-A248 VanDerWaalsContact OD1-N 3.09Å; N246-E249 VanDerWaalsContact ND2-CD 3.29Å; N246-E249 PolarHBondContact ND2-OE1 3.27Å; N246-E249 PolarHBondContact O-N 3.41Å; N246-E249 PolarHBondContact OD1-N 3.28Å
247H75.7Confident81.7Confident98 Ų9859.8 Ų59.845%0.45433%0.333SS..Hα-helixtrans-67.2-26.7-177-173.773.6000113.2V250 V251H247-V250 WeakPolarHBondContact O-CB 3.45Å; H247-V250 PolarHBondContact O-N 3.2Å; H247-V251 WeakPolarHBondContact O-CG2 3.46Å; H247-V251 PolarHBondContact O-N 3.25Å
248A81.7Confident81.7Confident67 Ų6759.9 Ų59.955%0.55433%0.333SS*.Hα-helixtrans-67.8-40.3179.900000111.8N246 V250 V251 E252N246-A248 VanDerWaalsContact C-N 3.28Å; N246-A248 PolarHBondContact O-N 3.27Å; N246-A248 WeakPolarHBondContact OD1-CB 3.48Å; N246-A248 PolarHBondContact OD1-N 3.42Å; N246-A248 VanDerWaalsContact OD1-N 3.09Å; A248-V250 VanDerWaalsContact C-N 3.26Å; A248-V250 PolarHBondContact O-N 3.04Å; A248-V251 PolarHBondContact O-N 3.03Å; A248-E252 WeakPolarHBondContact O-CB 3.28Å; A248-E252 PolarHBondContact O-N 2.76Å
249E81.1Confident82.1Confident62 Ų6265 Ų6529%0.2936%0.356SS..Hα-helixtrans-60.9-35.9173.6-75.9172.4-159.700112.4Q242 N246 T253Q242-E249 PolarHBondContact NE2-OE2 3.03Å; N246-E249 VanDerWaalsContact ND2-CD 3.29Å; N246-E249 PolarHBondContact ND2-OE1 3.27Å; N246-E249 PolarHBondContact O-N 3.41Å; N246-E249 PolarHBondContact OD1-N 3.28Å; E249-T253 WeakPolarHBondContact O-CB 3.42Å; E249-T253 PolarHBondContact O-N 3.45Å; E249-T253 PolarHBondContact O-OG1 3.3Å; E249-T253 VanDerWaalsContact O-OG1 3.05Å
250V80.3Confident82.9Confident11 Ų1168.6 Ų68.67%0.06737%0.374CS..Hα-helixtrans-61.7-50.3176175.80000110A114 T235 H247 A248 T253 T254A114-V250 HydrophobicContact CB-CG1 3.98Å; T235-V250 HydrophobicContact CG2-CG1 3.9Å; H247-V250 WeakPolarHBondContact O-CB 3.45Å; H247-V250 PolarHBondContact O-N 3.2Å; A248-V250 VanDerWaalsContact C-N 3.26Å; A248-V250 PolarHBondContact O-N 3.04Å; V250-T253 PolarHBondContact O-N 3.08Å; V250-T254 WeakPolarHBondContact O-CG2 3.41Å; V250-T254 PolarHBondContact O-N 2.92Å; V250-T254 PolarHBondContact O-OG1 3.26Å
251V80.8Confident83.7Confident72 Ų7266 Ų6644%0.43635%0.347SS..Hα-helixtrans-62.8-45.6179.1176.10000111.4H247 A248 T253 T254 E255H247-V251 WeakPolarHBondContact O-CG2 3.46Å; H247-V251 PolarHBondContact O-N 3.25Å; A248-V251 PolarHBondContact O-N 3.03Å; V251-T253 PolarHBondContact O-N 2.9Å; V251-T254 WeakPolarHBondContact CA-OG1 3.47Å; V251-T254 PolarHBondContact O-N 2.83Å; V251-T254 PolarHBondContact O-OG1 3.15Å; V251-E255 WeakPolarHBondContact O-CB 3.39Å; V251-E255 PolarHBondContact O-N 2.91Å
252E85.2Confident84.4Confident139 Ų13964.3 Ų64.365%0.6534%0.338SS*.Hα-helixtrans-60-44.1178.7-176.5-177.9173.900111.9A248 E255 R256A248-E252 WeakPolarHBondContact O-CB 3.28Å; A248-E252 PolarHBondContact O-N 2.76Å; E252-E255 PolarHBondContact O-N 3.18Å; E252-R256 PolarHBondContact O-N 2.83Å
253T86.2Confident85.2Confident14 Ų1466.9 Ų66.99%0.08635%0.349CS..Hα-helixtrans-67.3-42.2179.1-62.30000111.4P124 G125 T235 E249 V250 V251 E255 R256 V257P124-T253 HydrophobicContact CB-CG2 4.18Å; G125-T253 VanDerWaalsContact N-CG2 3.34Å; T235-T253 WeakPolarHBondContact O-CB 3.3Å; T235-T253 PolarHBondContact O-OG1 3.24Å; T235-T253 VanDerWaalsContact O-OG1 3.08Å; E249-T253 WeakPolarHBondContact O-CB 3.42Å; E249-T253 PolarHBondContact O-N 3.45Å; E249-T253 PolarHBondContact O-OG1 3.3Å; E249-T253 VanDerWaalsContact O-OG1 3.05Å; V250-T253 PolarHBondContact O-N 3.08Å; V251-T253 PolarHBondContact O-N 2.9Å; T253-E255 VanDerWaalsContact C-N 3.29Å; T253-E255 PolarHBondContact O-N 2.9Å; T253-R256 PolarHBondContact O-N 2.95Å; T253-V257 WeakPolarHBondContact O-CG2 3.5Å; T253-V257 PolarHBondContact O-N 3.38Å
254T81.2Confident86.5Confident3 Ų362.2 Ų62.22%0.01831%0.31CS..Hα-helixtrans-61.1-40.2175.149.60000112L33 T235 V250 V251 R256 V257 K258L33-T254 HydrophobicContact CD2-CG2 4.46Å; T235-T254 HydrophobicContact CG2-CG2 3.56Å; V250-T254 WeakPolarHBondContact O-CG2 3.41Å; V250-T254 PolarHBondContact O-N 2.92Å; V250-T254 PolarHBondContact O-OG1 3.26Å; V251-T254 WeakPolarHBondContact CA-OG1 3.47Å; V251-T254 PolarHBondContact O-N 2.83Å; V251-T254 PolarHBondContact O-OG1 3.15Å; T254-R256 VanDerWaalsContact C-N 3.32Å; T254-R256 PolarHBondContact O-N 3.32Å; T254-V257 PolarHBondContact O-N 2.82Å; T254-K258 WeakPolarHBondContact O-CB 3.37Å; T254-K258 PolarHBondContact O-N 2.99Å
255E85.4Confident87.5Confident95 Ų9556.6 Ų56.644%0.44428%0.28SS..Hα-helixtrans-62.8-40178.6-17762.5-168.600111.7V251 E252 T253 V257 K258V251-E255 WeakPolarHBondContact O-CB 3.39Å; V251-E255 PolarHBondContact O-N 2.91Å; E252-E255 PolarHBondContact O-N 3.18Å; T253-E255 VanDerWaalsContact C-N 3.29Å; T253-E255 PolarHBondContact O-N 2.9Å; E255-V257 VanDerWaalsContact C-N 3.33Å; E255-V257 PolarHBondContact O-N 2.98Å; E255-K258 WeakPolarHBondContact O-CG 3.35Å; E255-K258 VanDerWaalsContact OE1-CE 3.23Å; E255-K258 WeakPolarHBondContact OE1-CE 3.46Å; E255-K258 IonicContact OE1-NZ 3.31Å; E255-K258 PolarHBondContact OE1-NZ 2.72Å; E255-K258 WeakPolarHBondContact OE2-CD 3.23Å; E255-K258 WeakPolarHBondContact OE2-CE 3.39Å; E255-K258 IonicContact OE2-NZ 2.85Å; E255-K258 PolarHBondContact OE2-NZ 2.95Å
256R89.4Confident88.5Confident163 Ų16358 Ų5862%0.61528%0.284SS*.Hα-helixtrans-65.4-32.1178-177.8170.559.1107.90.8113.5P124 E252 T253 T254P124-R256 PolarHBondContact O-NH2 3.43Å; E252-R256 PolarHBondContact O-N 2.83Å; T253-R256 PolarHBondContact O-N 2.95Å; T254-R256 VanDerWaalsContact C-N 3.32Å; T254-R256 PolarHBondContact O-N 3.32Å
257V91.4Very high89.4Confident12 Ų1257.6 Ų57.67%0.07328%0.28CS..Hα-helixtrans-108.72.2-173-53.50000114.3G125 L127 C233 T253 T254 E255 E259 D260 F261G125-V257 VanDerWaalsContact CA-CG1 3.48Å; G125-V257 WeakPolarHBondContact O-CG1 3.26Å; L127-V257 HydrophobicContact CD2-CG2 4.48Å; C233-V257 WeakPolarHBondContact SG-CG2 3.49Å; T253-V257 WeakPolarHBondContact O-CG2 3.5Å; T253-V257 PolarHBondContact O-N 3.38Å; T254-V257 PolarHBondContact O-N 2.82Å; E255-V257 VanDerWaalsContact C-N 3.33Å; E255-V257 PolarHBondContact O-N 2.98Å; V257-E259 VanDerWaalsContact C-N 3.29Å; V257-E259 PolarHBondContact O-N 2.95Å; V257-D260 PolarHBondContact O-N 2.87Å; V257-F261 WeakPolarHBondContact O-CB 3.44Å; V257-F261 PolarHBondContact O-N 3.29Å
258K89.7Confident90.5Very high30 Ų3053 Ų5313%0.1326%0.259CS..Hα-helixtrans-59.1-37-175.172.4-172.1-176173.90113.5E35 T254 E255 F261 K262E35-K258 VanDerWaalsContact CD-NZ 3.27Å; E35-K258 IonicContact OE1-NZ 2.72Å; E35-K258 PolarHBondContact OE1-NZ 3.36Å; E35-K258 WeakPolarHBondContact OE2-CD 3.43Å; E35-K258 WeakPolarHBondContact OE2-CE 3.37Å; E35-K258 IonicContact OE2-NZ 3.09Å; E35-K258 PolarHBondContact OE2-NZ 2.96Å; T254-K258 WeakPolarHBondContact O-CB 3.37Å; T254-K258 PolarHBondContact O-N 2.99Å; E255-K258 WeakPolarHBondContact O-CG 3.35Å; E255-K258 VanDerWaalsContact OE1-CE 3.23Å; E255-K258 WeakPolarHBondContact OE1-CE 3.46Å; E255-K258 IonicContact OE1-NZ 3.31Å; E255-K258 PolarHBondContact OE1-NZ 2.72Å; E255-K258 WeakPolarHBondContact OE2-CD 3.23Å; E255-K258 WeakPolarHBondContact OE2-CE 3.39Å; E255-K258 IonicContact OE2-NZ 2.85Å; E255-K258 PolarHBondContact OE2-NZ 2.95Å; K258-F261 PolarHBondContact O-N 2.88Å; K258-K262 VanDerWaalsContact O-CB 3.3Å; K258-K262 WeakPolarHBondContact O-CB 3.43Å; K258-K262 WeakPolarHBondContact O-CE 3.37Å; K258-K262 WeakPolarHBondContact O-CG 2.92Å; K258-K262 PolarHBondContact O-N 3.35Å
259E93.4Very high91.2Very high107 Ų10749.8 Ų49.850%0.523%0.233SC..Hα-helixtrans-67.1-45.8-179.1-65.9-53.2133.800111.6V257 K262 K263V257-E259 VanDerWaalsContact C-N 3.29Å; V257-E259 PolarHBondContact O-N 2.95Å; E259-K262 PolarHBondContact O-N 3.33Å; E259-K262 WeakPolarHBondContact OE1-CE 3.35Å; E259-K262 IonicContact OE1-NZ 3.72Å; E259-K262 PolarHBondContact OE1-NZ 2.95Å; E259-K262 IonicContact OE2-NZ 3.38Å; E259-K262 PolarHBondContact OE2-NZ 2.97Å; E259-K263 VanDerWaalsContact O-CB 3.23Å; E259-K263 WeakPolarHBondContact O-CB 3.48Å; E259-K263 PolarHBondContact O-N 2.98Å
260D95.3Very high92Very high87 Ų8750.4 Ų50.447%0.46524%0.241SC..Hα-helixtrans-64.7-41.1175.6-73.6-20.1000111.3I178 V257 K263 L264I178-D260 HydrophobicContact CD1-CB 4.16Å; V257-D260 PolarHBondContact O-N 2.87Å; D260-K263 PolarHBondContact O-N 3.11Å; D260-L264 VanDerWaalsContact O-CB 3.25Å; D260-L264 WeakPolarHBondContact O-CB 3.37Å; D260-L264 PolarHBondContact O-N 3.47Å
261F96.1Very high92.8Very high2 Ų253 Ų531%0.00926%0.256CS..Hα-helixtrans-59.8-52.8174.4167.7-98.1000112.1L33 L36 T112 L127 I231 V257 K258 K263 L264 I265L33-F261 HydrophobicContact CB-CE1 3.82Å; L33-F261 HydrophobicContact CB-CZ 3.92Å; L33-F261 HydrophobicContact CD1-CE1 4.47Å; L33-F261 HydrophobicContact CD1-CE2 3.97Å; L33-F261 HydrophobicContact CD1-CZ 3.89Å; L33-F261 HydrophobicContact CD2-CD1 3.8Å; L33-F261 HydrophobicContact CD2-CD2 4.16Å; L33-F261 HydrophobicContact CD2-CE1 3.84Å; L33-F261 HydrophobicContact CD2-CE2 4.19Å; L33-F261 HydrophobicContact CD2-CG 3.97Å; L33-F261 HydrophobicContact CD2-CZ 4.03Å; L33-F261 HydrophobicContact CG-CE1 4.24Å; L33-F261 HydrophobicContact CG-CZ 4.15Å; L36-F261 HydrophobicContact CB-CE1 4.4Å; L36-F261 HydrophobicContact CD2-CE1 4.22Å; T112-F261 HydrophobicContact CG2-CE2 3.89Å; T112-F261 HydrophobicContact CG2-CZ 3.79Å; L127-F261 HydrophobicContact CD1-CB 4.21Å; L127-F261 HydrophobicContact CD2-CB 4.19Å; L127-F261 HydrophobicContact CD2-CD2 4.3Å; I231-F261 HydrophobicContact CG2-CD2 4.46Å; I231-F261 HydrophobicContact CG2-CE2 4.43Å; V257-F261 WeakPolarHBondContact O-CB 3.44Å; V257-F261 PolarHBondContact O-N 3.29Å; K258-F261 PolarHBondContact O-N 2.88Å; F261-K263 VanDerWaalsContact C-N 3.31Å; F261-K263 PolarHBondContact O-N 3.27Å; F261-L264 PolarHBondContact O-N 3.18Å; F261-I265 HydrophobicContact CD2-CG1 4.16Å; F261-I265 HydrophobicContact CE1-CG1 4.34Å; F261-I265 HydrophobicContact CE2-CD1 4.11Å; F261-I265 HydrophobicContact CE2-CG1 3.72Å; F261-I265 HydrophobicContact CZ-CG1 3.83Å; F261-I265 WeakPolarHBondContact O-CG1 3.29Å; F261-I265 PolarHBondContact O-N 2.95Å
262K96.4Very high93.4Very high17 Ų1751.3 Ų51.37%0.07424%0.244CC..Hα-helixtrans-59.7-44.5179.9-72.6-177-61.5161.50110.5L36 E39 K258 E259 I265 K266L36-K262 HydrophobicContact CB-CG 4.19Å; L36-K262 HydrophobicContact CD1-CB 4.13Å; L36-K262 HydrophobicContact CD1-CG 3.96Å; E39-K262 WeakPolarHBondContact OE1-CD 3.19Å; E39-K262 WeakPolarHBondContact OE1-CE 3.4Å; E39-K262 IonicContact OE1-NZ 2.74Å; E39-K262 PolarHBondContact OE1-NZ 2.89Å; K258-K262 VanDerWaalsContact O-CB 3.3Å; K258-K262 WeakPolarHBondContact O-CB 3.43Å; K258-K262 WeakPolarHBondContact O-CE 3.37Å; K258-K262 WeakPolarHBondContact O-CG 2.92Å; K258-K262 PolarHBondContact O-N 3.35Å; E259-K262 PolarHBondContact O-N 3.33Å; E259-K262 WeakPolarHBondContact OE1-CE 3.35Å; E259-K262 IonicContact OE1-NZ 3.72Å; E259-K262 PolarHBondContact OE1-NZ 2.95Å; E259-K262 IonicContact OE2-NZ 3.38Å; E259-K262 PolarHBondContact OE2-NZ 2.97Å; K262-I265 PolarHBondContact O-N 3.07Å; K262-K266 VanDerWaalsContact O-CB 3.3Å; K262-K266 WeakPolarHBondContact O-CB 3.42Å; K262-K266 VanDerWaalsContact O-CG 3.24Å; K262-K266 WeakPolarHBondContact O-CG 3.4Å; K262-K266 PolarHBondContact O-N 2.96Å
263K96.6Very high93.9Very high105 Ų10546.9 Ų46.946%0.45722%0.224SC..Hα-helixtrans-61.8-45.3177.4-165.9-175.2-169.9-170.90112L176 E259 D260 F261 K266 E267L176-K263 HydrophobicContact CD1-CD 4.19Å; L176-K263 HydrophobicContact CD1-CG 3.93Å; L176-K263 HydrophobicContact CD2-CD 3.96Å; L176-K263 VanDerWaalsContact CD2-CE 3.45Å; L176-K263 HydrophobicContact CD2-CG 4.23Å; E259-K263 VanDerWaalsContact O-CB 3.23Å; E259-K263 WeakPolarHBondContact O-CB 3.48Å; E259-K263 PolarHBondContact O-N 2.98Å; D260-K263 PolarHBondContact O-N 3.11Å; F261-K263 VanDerWaalsContact C-N 3.31Å; F261-K263 PolarHBondContact O-N 3.27Å; K263-K266 PolarHBondContact O-N 3.49Å; K263-E267 WeakPolarHBondContact O-CB 3.49Å; K263-E267 WeakPolarHBondContact O-CG 3.42Å; K263-E267 PolarHBondContact O-N 3.13Å
264L98Very high94.3Very high0 Ų048.6 Ų48.60%023%0.231CC..Hα-helixtrans-58.4-53.4176.8179.364.2000110.9L127 V172 A173 I178 L180 D260 F261 K266 E267 I268L127-L264 HydrophobicContact CB-CD2 4.5Å; L127-L264 HydrophobicContact CD1-CD2 3.75Å; V172-L264 HydrophobicContact CG1-CD1 3.98Å; A173-L264 HydrophobicContact CB-CD1 4.07Å; I178-L264 HydrophobicContact CD1-CB 4.05Å; L180-L264 HydrophobicContact CD1-CD2 3.95Å; D260-L264 VanDerWaalsContact O-CB 3.25Å; D260-L264 WeakPolarHBondContact O-CB 3.37Å; D260-L264 PolarHBondContact O-N 3.47Å; F261-L264 PolarHBondContact O-N 3.18Å; L264-K266 PolarHBondContact O-N 2.99Å; L264-E267 PolarHBondContact O-N 3.34Å; L264-I268 HydrophobicContact CD1-CD1 3.81Å; L264-I268 HydrophobicContact CD1-CG1 4.29Å; L264-I268 HydrophobicContact CG-CD1 3.8Å; L264-I268 WeakPolarHBondContact O-CB 3.41Å; L264-I268 WeakPolarHBondContact O-CG1 3.32Å; L264-I268 PolarHBondContact O-N 2.88Å
265I97.9Very high95Very high3 Ų351.2 Ų51.22%0.01524%0.243CC..Hα-helixtrans-61.6-45-179.3-62.2-59.1000111.2L36 V110 I231 F261 K262 E267 I268 L269L36-I265 HydrophobicContact CD2-CB 4Å; L36-I265 HydrophobicContact CD2-CG1 4.37Å; L36-I265 HydrophobicContact CD2-CG2 3.63Å; V110-I265 HydrophobicContact CG1-CD1 4.15Å; I231-I265 HydrophobicContact CB-CD1 4.44Å; I231-I265 HydrophobicContact CG1-CD1 3.92Å; F261-I265 HydrophobicContact CD2-CG1 4.16Å; F261-I265 HydrophobicContact CE1-CG1 4.34Å; F261-I265 HydrophobicContact CE2-CD1 4.11Å; F261-I265 HydrophobicContact CE2-CG1 3.72Å; F261-I265 HydrophobicContact CZ-CG1 3.83Å; F261-I265 WeakPolarHBondContact O-CG1 3.29Å; F261-I265 PolarHBondContact O-N 2.95Å; K262-I265 PolarHBondContact O-N 3.07Å; I265-E267 PolarHBondContact O-N 2.92Å; I265-I268 PolarHBondContact O-N 2.94Å; I265-L269 HydrophobicContact CG2-CD1 4.11Å; I265-L269 HydrophobicContact CG2-CG 4.43Å; I265-L269 WeakPolarHBondContact O-CG 3.45Å; I265-L269 PolarHBondContact O-N 3.05Å
266K98Very high95.5Very high67 Ų6748.6 Ų48.629%0.29123%0.231SC..Hα-helixtrans-61-44.8179.7-77176.670.9175.20112.4L36 E39 L71 S72 K262 K263 L264 L269 V270L36-K266 HydrophobicContact CD1-CD 4.38Å; L36-K266 HydrophobicContact CD1-CG 4.18Å; E39-K266 VanDerWaalsContact OE2-CD 3.22Å; E39-K266 WeakPolarHBondContact OE2-CD 3.47Å; E39-K266 WeakPolarHBondContact OE2-CE 3.3Å; E39-K266 IonicContact OE2-NZ 2.89Å; E39-K266 PolarHBondContact OE2-NZ 3.09Å; L71-K266 HydrophobicContact CD1-CD 4.13Å; L71-K266 HydrophobicContact CD1-CG 3.96Å; L71-K266 HydrophobicContact CG-CG 4.27Å; S72-K266 VanDerWaalsContact CB-O 3.31Å; S72-K266 WeakPolarHBondContact CB-O 3.41Å; S72-K266 VanDerWaalsContact OG-CA 3.32Å; S72-K266 WeakPolarHBondContact OG-CA 3.46Å; S72-K266 VanDerWaalsContact OG-CB 3.31Å; S72-K266 WeakPolarHBondContact OG-CB 3.45Å; S72-K266 PolarHBondContact OG-O 3.39Å; K262-K266 VanDerWaalsContact O-CB 3.3Å; K262-K266 WeakPolarHBondContact O-CB 3.42Å; K262-K266 VanDerWaalsContact O-CG 3.24Å; K262-K266 WeakPolarHBondContact O-CG 3.4Å; K262-K266 PolarHBondContact O-N 2.96Å; K263-K266 PolarHBondContact O-N 3.49Å; L264-K266 PolarHBondContact O-N 2.99Å; K266-L269 PolarHBondContact O-N 3.42Å; K266-V270 WeakPolarHBondContact O-CG2 3.44Å; K266-V270 PolarHBondContact O-N 2.77Å
267E98.1Very high95.9Very high55 Ų5541.4 Ų41.426%0.25721%0.207SC..Hα-helixtrans-72.1-31.7179-72.5-75.413500112.2V172 K175 L176 K263 L264 I265 V270 V271V172-E267 HydrophobicContact CG1-CB 3.37Å; V172-E267 HydrophobicContact CG1-CG 4.49Å; V172-E267 HydrophobicContact CG2-CB 4.47Å; K175-E267 IonicContact NZ-OE2 2.65Å; K175-E267 PolarHBondContact NZ-OE2 3.23Å; L176-E267 HydrophobicContact CD1-CB 4.24Å; L176-E267 HydrophobicContact CD1-CG 4.12Å; L176-E267 HydrophobicContact CD2-CG 4.28Å; K263-E267 WeakPolarHBondContact O-CB 3.49Å; K263-E267 WeakPolarHBondContact O-CG 3.42Å; K263-E267 PolarHBondContact O-N 3.13Å; L264-E267 PolarHBondContact O-N 3.34Å; I265-E267 PolarHBondContact O-N 2.92Å; E267-V270 WeakPolarHBondContact O-CB 3.4Å; E267-V270 PolarHBondContact O-N 3.36Å; E267-V271 PolarHBondContact O-N 3.17Å
268I98.1Very high96.2Very high1 Ų143.4 Ų43.41%0.00522%0.216CC..Hα-helixtrans-61.7-47.1170.4-70.1168.8000110.3A169 V172 L229 L264 I265 V270 V271 L272A169-I268 HydrophobicContact CB-CD1 3.7Å; A169-I268 HydrophobicContact CB-CG1 4.35Å; V172-I268 HydrophobicContact CB-CG1 3.98Å; V172-I268 HydrophobicContact CG1-CG1 4.02Å; V172-I268 HydrophobicContact CG2-CG1 4.14Å; L229-I268 HydrophobicContact CD2-CD1 4.21Å; L229-I268 HydrophobicContact CD2-CG2 3.61Å; L264-I268 HydrophobicContact CD1-CD1 3.81Å; L264-I268 HydrophobicContact CD1-CG1 4.29Å; L264-I268 HydrophobicContact CG-CD1 3.8Å; L264-I268 WeakPolarHBondContact O-CB 3.41Å; L264-I268 WeakPolarHBondContact O-CG1 3.32Å; L264-I268 PolarHBondContact O-N 2.88Å; I265-I268 PolarHBondContact O-N 2.94Å; I268-V270 PolarHBondContact O-N 2.85Å; I268-V271 VanDerWaalsContact O-CG2 3.23Å; I268-V271 WeakPolarHBondContact O-CG2 3.48Å; I268-V271 PolarHBondContact O-N 3.27Å; I268-L272 HydrophobicContact CG2-CD1 3.57Å; I268-L272 HydrophobicContact CG2-CG 3.92Å; I268-L272 WeakPolarHBondContact O-CG 3.32Å; I268-L272 PolarHBondContact O-N 2.8Å; I268-L272 VanDerWaalsContact O-N 3.08Å
269L97.6Very high96.7Very high1 Ų144.4 Ų44.41%0.00522%0.222CC..Hα-helixtrans-60.9-25.5177.5-71.4172.3000113.5F25 L27 L71 K74 V76 I265 K266F25-L269 HydrophobicContact CB-CD2 4.24Å; F25-L269 HydrophobicContact CD1-CD2 3.98Å; F25-L269 HydrophobicContact CD2-CD2 3.96Å; F25-L269 HydrophobicContact CE1-CD2 4.35Å; F25-L269 HydrophobicContact CE2-CD2 4.33Å; F25-L269 HydrophobicContact CG-CD2 3.79Å; L27-L269 HydrophobicContact CD2-CD2 4.43Å; L71-L269 HydrophobicContact CD2-CD1 3.61Å; L71-L269 HydrophobicContact CG-CD1 4.04Å; K74-L269 VanDerWaalsContact CE-O 3.3Å; K74-L269 WeakPolarHBondContact CE-O 3.43Å; K74-L269 WeakPolarHBondContact CG-O 3.43Å; V76-L269 HydrophobicContact CG1-CD1 4.36Å; I265-L269 HydrophobicContact CG2-CD1 4.11Å; I265-L269 HydrophobicContact CG2-CG 4.43Å; I265-L269 WeakPolarHBondContact O-CG 3.45Å; I265-L269 PolarHBondContact O-N 3.05Å; K266-L269 PolarHBondContact O-N 3.42Å
270V97.2Very high97Very high75 Ų7539.5 Ų39.546%0.45520%0.201SC..Hα-helixtrans-68.1-39.5174.3173.80000111.3K266 E267 I268K266-V270 WeakPolarHBondContact O-CG2 3.44Å; K266-V270 PolarHBondContact O-N 2.77Å; E267-V270 WeakPolarHBondContact O-CB 3.4Å; E267-V270 PolarHBondContact O-N 3.36Å; I268-V270 PolarHBondContact O-N 2.85Å
271V96.6Very high97.1Very high64 Ų6435.6 Ų35.639%0.38818%0.179SC..Hα-helixtrans-92.7-9.6-172.8-58.40000114.1K168 V172 E267 I268K168-V271 HydrophobicContact CB-CG2 3.98Å; K168-V271 HydrophobicContact CD-CB 4.29Å; K168-V271 HydrophobicContact CD-CG2 4.05Å; K168-V271 HydrophobicContact CG-CG2 4.44Å; V172-V271 HydrophobicContact CG2-CG1 4.33Å; V172-V271 HydrophobicContact CG2-CG2 3.73Å; E267-V271 PolarHBondContact O-N 3.17Å; I268-V271 VanDerWaalsContact O-CG2 3.23Å; I268-V271 WeakPolarHBondContact O-CG2 3.48Å; I268-V271 PolarHBondContact O-N 3.27Å
272L94.7Very high97.2Very high37 Ų3738.6 Ų38.619%0.19420%0.195CC..  trans-950170.8-60.9-173.3000110.8F25 K74 Y165 K168 I268F25-L272 HydrophobicContact CE1-CB 4.08Å; F25-L272 HydrophobicContact CE1-CD1 4.13Å; F25-L272 HydrophobicContact CZ-CB 3.63Å; K74-L272 WeakPolarHBondContact CE-OXT 3.42Å; K74-L272 PolarHBondContact NZ-OXT 3.47Å; Y165-L272 HydrophobicContact CD1-CD1 4.02Å; Y165-L272 HydrophobicContact CD1-CD2 3.41Å; Y165-L272 VanDerWaalsContact CD1-CD2 3.41Å; Y165-L272 HydrophobicContact CD1-CG 4.32Å; Y165-L272 HydrophobicContact CD2-CD1 4.13Å; Y165-L272 HydrophobicContact CE1-CD1 4.13Å; Y165-L272 HydrophobicContact CE1-CD2 3.61Å; Y165-L272 HydrophobicContact CE1-CG 4.34Å; Y165-L272 HydrophobicContact CE2-CD1 4.23Å; Y165-L272 HydrophobicContact CG-CD1 3.98Å; Y165-L272 HydrophobicContact CG-CD2 4.11Å; K168-L272 HydrophobicContact CB-CD2 3.81Å; K168-L272 HydrophobicContact CG-CD2 3.81Å; I268-L272 HydrophobicContact CG2-CD1 3.57Å; I268-L272 HydrophobicContact CG2-CG 3.92Å; I268-L272 WeakPolarHBondContact O-CG 3.32Å; I268-L272 PolarHBondContact O-N 2.8Å; I268-L272 VanDerWaalsContact O-N 3.08Å

Retrieved 272 of 272 residues in 89.8 ms (Link to these results)

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