A0A077ZHB4_TRITR Loading...

Thymidine phosphorylase

Catalyzes the reversible phosphorolysis of thymidine. The produced molecules are then utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis.

AlphaFold DB , UniProt , Accession A0A077ZHB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 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
1M59.4Low92.6Very high233 Ų23372.4 Ų72.4100%1.14834%0.342SS*.  0104.50-167.3-178.6-162.800106.6
2F78.8Confident93.1Very high66 Ų6677.5 Ų77.529%0.28936%0.356SS..  trans-90149.9-178.3-64-72000110.9I7 E20 E21 F24F2-I7 HydrophobicContact CB-CD1 4.35Å; F2-E20 HydrophobicContact CE2-CB 4.32Å; F2-E20 HydrophobicContact CE2-CG 3.52Å; F2-E20 WeakPolarHBondContact CE2-OE1 3.34Å; F2-E20 HydrophobicContact CZ-CB 4.1Å; F2-E20 VanDerWaalsContact CZ-CD 3.41Å; F2-E20 HydrophobicContact CZ-CG 3.72Å; F2-E20 WeakPolarHBondContact CZ-OE2 3.48Å; F2-E21 HydrophobicContact CD1-CG 4Å; F2-E21 HydrophobicContact CE1-CG 3.82Å; F2-F24 HydrophobicContact CB-CB 4.46Å; F2-F24 HydrophobicContact CB-CD1 3.65Å; F2-F24 HydrophobicContact CB-CD2 4Å; F2-F24 HydrophobicContact CB-CE1 3.78Å; F2-F24 HydrophobicContact CB-CE2 4.13Å; F2-F24 HydrophobicContact CB-CG 3.75Å; F2-F24 HydrophobicContact CB-CZ 4.02Å; F2-F24 HydrophobicContact CD2-CB 4.18Å; F2-F24 HydrophobicContact CD2-CD2 4.28Å; F2-F24 HydrophobicContact CD2-CG 4.19Å; F2-F24 HydrophobicContact CG-CG 4.29Å; F2-F24 WeakPolarHBondContact O-CZ 3.19Å
3L94.1Very high93.5Very high103 Ų10377.7 Ų77.754%0.53936%0.361SS..  trans-122.4122.8175.5-118.4136.6000107.7Q5 E6 I7L3-Q5 HydrophobicContact CD2-CB 4.46Å; L3-Q5 PolarHBondContact O-N 2.65Å; L3-Q5 VanDerWaalsContact O-N 3.17Å; L3-E6 HydrophobicContact CB-CB 4.12Å; L3-E6 HydrophobicContact CB-CG 3.77Å; L3-E6 WeakPolarHBondContact O-CB 3.37Å; L3-E6 PolarHBondContact O-N 3.48Å; L3-I7 PolarHBondContact O-N 3.1Å; L3-I7 VanDerWaalsContact O-N 3.14Å
4A97Very high93.8Very high10 Ų1075.3 Ų75.38%0.08337%0.368CS..Hα-helixtrans-55.6-36.6-178.300000112.3E6 I7 I8 F25 I34A4-E6 PolarHBondContact O-N 3.27Å; A4-I7 PolarHBondContact O-N 3Å; A4-I8 WeakPolarHBondContact O-CD1 3.38Å; A4-I8 WeakPolarHBondContact O-CG1 3.47Å; A4-I8 PolarHBondContact O-N 3.07Å; A4-F25 HydrophobicContact CB-CD2 4.24Å; A4-F25 HydrophobicContact CB-CE2 3.92Å; A4-I34 HydrophobicContact CB-CD1 3.85Å; A4-I34 HydrophobicContact CB-CG1 4.03Å
5Q97.5Very high94.1Very high114 Ų11477.6 Ų77.653%0.53338%0.377SS..Hα-helixtrans-65.6-34.6176.3-168.1-178.519.700113.2L3 R9L3-Q5 HydrophobicContact CD2-CB 4.46Å; L3-Q5 PolarHBondContact O-N 2.65Å; L3-Q5 VanDerWaalsContact O-N 3.17Å; Q5-R9 WeakPolarHBondContact O-CB 3.28Å; Q5-R9 PolarHBondContact O-N 3.4Å
6E98.3Very high94.4Very high89 Ų8975.8 Ų75.842%0.41638%0.379SS..Hα-helixtrans-71.1-38.4176.5-67.4-62.1148.600111.2L3 A4 I8 R9 K10L3-E6 HydrophobicContact CB-CB 4.12Å; L3-E6 HydrophobicContact CB-CG 3.77Å; L3-E6 WeakPolarHBondContact O-CB 3.37Å; L3-E6 PolarHBondContact O-N 3.48Å; A4-E6 PolarHBondContact O-N 3.27Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 3.29Å; E6-R9 PolarHBondContact O-N 3.35Å; E6-R9 IonicContact OE1-CZ 3.25Å; E6-R9 VanDerWaalsContact OE1-CZ 3.25Å; E6-R9 IonicContact OE1-NH1 2.64Å; E6-R9 PolarHBondContact OE1-NH1 3.46Å; E6-R9 IonicContact OE1-NH2 3.14Å; E6-R9 PolarHBondContact OE1-NH2 3.32Å; E6-R9 VanDerWaalsContact OE1-NH2 3.14Å; E6-R9 IonicContact OE2-CZ 3.49Å; E6-R9 IonicContact OE2-NH1 2.69Å; E6-R9 PolarHBondContact OE2-NH1 3.25Å; E6-K10 WeakPolarHBondContact O-CB 3.36Å; E6-K10 PolarHBondContact O-N 3.21Å
7I98.6Very high94.7Very high3 Ų372.2 Ų72.22%0.01536%0.361CS..Hα-helixtrans-60.6-45.9173.7-65.4169000110.2F2 L3 A4 R9 K10 K11 L17 E21 F24 F25F2-I7 HydrophobicContact CB-CD1 4.35Å; L3-I7 PolarHBondContact O-N 3.1Å; L3-I7 VanDerWaalsContact O-N 3.14Å; A4-I7 PolarHBondContact O-N 3Å; I7-R9 PolarHBondContact O-N 2.78Å; I7-K10 PolarHBondContact O-N 3.28Å; I7-K11 PolarHBondContact O-N 3.1Å; I7-K11 VanDerWaalsContact O-N 3.08Å; I7-L17 HydrophobicContact CG2-CD1 3.78Å; I7-L17 HydrophobicContact CG2-CD2 3.91Å; I7-L17 HydrophobicContact CG2-CG 4.49Å; I7-E21 HydrophobicContact CD1-CB 4.13Å; I7-E21 HydrophobicContact CD1-CG 4.47Å; I7-E21 HydrophobicContact CG1-CB 4.14Å; I7-E21 HydrophobicContact CG1-CG 4.19Å; I7-F24 HydrophobicContact CD1-CD1 3.56Å; I7-F24 HydrophobicContact CD1-CE1 4.14Å; I7-F25 HydrophobicContact CB-CD2 4.24Å; I7-F25 HydrophobicContact CD1-CD2 4.21Å; I7-F25 HydrophobicContact CG2-CD2 3.95Å
8I98.7Very high94.8Very high22 Ų2270.9 Ų70.911%0.11336%0.36CS..Hα-helixtrans-60.9-46.2175.8-66.8158.7000110.6A4 E6 K10 K11 R12 F25 Q38 A41 L42 T45A4-I8 WeakPolarHBondContact O-CD1 3.38Å; A4-I8 WeakPolarHBondContact O-CG1 3.47Å; A4-I8 PolarHBondContact O-N 3.07Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 3.29Å; I8-K10 VanDerWaalsContact C-N 3.34Å; I8-K10 PolarHBondContact O-N 3.04Å; I8-K11 PolarHBondContact O-N 2.82Å; I8-R12 VanDerWaalsContact O-CB 3.25Å; I8-R12 WeakPolarHBondContact O-CB 3.37Å; I8-R12 PolarHBondContact O-N 3.27Å; I8-F25 HydrophobicContact CD1-CE2 4.1Å; I8-F25 HydrophobicContact CD1-CZ 4.27Å; I8-F25 HydrophobicContact CG1-CE2 3.97Å; I8-F25 HydrophobicContact CG1-CZ 4.34Å; I8-Q38 HydrophobicContact CD1-CB 3.92Å; I8-Q38 HydrophobicContact CD1-CG 4.12Å; I8-Q38 WeakPolarHBondContact CD1-O 3.33Å; I8-A41 HydrophobicContact CD1-CB 4.15Å; I8-A41 HydrophobicContact CG2-CB 3.97Å; I8-L42 HydrophobicContact CG1-CB 4.02Å; I8-L42 HydrophobicContact CG1-CD1 4.42Å; I8-T45 HydrophobicContact CG2-CG2 4.45Å
9R98.6Very high95Very high85 Ų8570.7 Ų70.732%0.32136%0.36SS..Hα-helixtrans-59.8-45.2178.6-171.6-177.4-55.713711.2111.6Q5 E6 I7 K11 R12 D13Q5-R9 WeakPolarHBondContact O-CB 3.28Å; Q5-R9 PolarHBondContact O-N 3.4Å; E6-R9 PolarHBondContact O-N 3.35Å; E6-R9 IonicContact OE1-CZ 3.25Å; E6-R9 VanDerWaalsContact OE1-CZ 3.25Å; E6-R9 IonicContact OE1-NH1 2.64Å; E6-R9 PolarHBondContact OE1-NH1 3.46Å; E6-R9 IonicContact OE1-NH2 3.14Å; E6-R9 PolarHBondContact OE1-NH2 3.32Å; E6-R9 VanDerWaalsContact OE1-NH2 3.14Å; E6-R9 IonicContact OE2-CZ 3.49Å; E6-R9 IonicContact OE2-NH1 2.69Å; E6-R9 PolarHBondContact OE2-NH1 3.25Å; I7-R9 PolarHBondContact O-N 2.78Å; R9-K11 PolarHBondContact O-N 2.97Å; R9-R12 WeakPolarHBondContact O-CB 3.43Å; R9-R12 PolarHBondContact O-N 3.32Å; R9-D13 WeakPolarHBondContact O-CB 3.37Å; R9-D13 VanDerWaalsContact O-CG 3.22Å; R9-D13 PolarHBondContact O-N 2.99Å
10K98.7Very high95.2Very high65 Ų6573.7 Ų73.728%0.28337%0.372SS..Hα-helixtrans-56.8-49.9177.6-177.6177.1-178-170.10111.5E6 I7 I8 D13 H15 A16 L17 E21E6-K10 WeakPolarHBondContact O-CB 3.36Å; E6-K10 PolarHBondContact O-N 3.21Å; I7-K10 PolarHBondContact O-N 3.28Å; I8-K10 VanDerWaalsContact C-N 3.34Å; I8-K10 PolarHBondContact O-N 3.04Å; K10-D13 PolarHBondContact O-N 3.31Å; K10-H15 HydrophobicContact CG-CB 3.7Å; K10-H15 WeakPolarHBondContact O-CB 3.5Å; K10-H15 PolarHBondContact O-N 3Å; K10-H15 PolarHBondContact O-ND1 3.1Å; K10-A16 WeakPolarHBondContact CE-O 3.4Å; K10-A16 PolarHBondContact NZ-O 3.49Å; K10-L17 HydrophobicContact CB-CD2 4.26Å; K10-L17 HydrophobicContact CD-CD2 3.91Å; K10-L17 HydrophobicContact CG-CD2 4.11Å; K10-E21 VanDerWaalsContact CD-OE1 3.29Å; K10-E21 WeakPolarHBondContact CD-OE1 3.49Å; K10-E21 IonicContact NZ-OE1 2.8Å; K10-E21 PolarHBondContact NZ-OE1 3.47Å; K10-E21 IonicContact NZ-OE2 2.7Å; K10-E21 PolarHBondContact NZ-OE2 3.08Å
11K98.7Very high95.3Very high6 Ų671.3 Ų71.33%0.02636%0.36CS..Hα-helixtrans-69.5-36.6179.6-167.857.1172.7179.90112.9I7 I8 R9 D13 G14 H15 L17 L42 I46 H49 D50 E55I7-K11 PolarHBondContact O-N 3.1Å; I7-K11 VanDerWaalsContact O-N 3.08Å; I8-K11 PolarHBondContact O-N 2.82Å; R9-K11 PolarHBondContact O-N 2.97Å; K11-D13 PolarHBondContact O-N 3.37Å; K11-G14 PolarHBondContact O-N 2.92Å; K11-G14 VanDerWaalsContact O-N 3.15Å; K11-H15 WeakPolarHBondContact CD-O 3.31Å; K11-L17 HydrophobicContact CB-CD1 4.39Å; K11-L17 HydrophobicContact CB-CD2 4.16Å; K11-L17 HydrophobicContact CB-CG 4.33Å; K11-L17 HydrophobicContact CD-CG 4.28Å; K11-L42 HydrophobicContact CB-CD1 4.07Å; K11-L42 HydrophobicContact CG-CD1 4.28Å; K11-I46 HydrophobicContact CG-CG1 4.35Å; K11-H49 PolarHBondContact O-CD2 3.24Å; K11-D50 WeakPolarHBondContact CE-O 3.4Å; K11-D50 PolarHBondContact NZ-O 3.37Å; K11-E55 IonicContact NZ-OE1 2.79Å; K11-E55 PolarHBondContact NZ-OE1 3.42Å; K11-E55 IonicContact NZ-OE2 3.28Å; K11-E55 PolarHBondContact NZ-OE2 3.01Å
12R98.6Very high97.2Very high134 Ų13460.4 Ų60.451%0.50631%0.307SS..Hα-helixtrans-58.5-34.9172.6-174.2-156.667.3179.9-1.6112I8 R9 G14 T45 H49I8-R12 VanDerWaalsContact O-CB 3.25Å; I8-R12 WeakPolarHBondContact O-CB 3.37Å; I8-R12 PolarHBondContact O-N 3.27Å; R9-R12 WeakPolarHBondContact O-CB 3.43Å; R9-R12 PolarHBondContact O-N 3.32Å; R12-G14 PolarHBondContact O-N 3.05Å; R12-T45 HydrophobicContact CB-CG2 3.63Å; R12-T45 HydrophobicContact CG-CG2 4.12Å; R12-H49 PolarHBondContact O-NE2 3.31Å
13D98.5Very high98.1Very high80 Ų8061 Ų6143%0.42831%0.307SS..THydrogen-bonded Turntrans-87.915.9-178.8-61.8-15.9000112.2R9 K10 K11 H15R9-D13 WeakPolarHBondContact O-CB 3.37Å; R9-D13 VanDerWaalsContact O-CG 3.22Å; R9-D13 PolarHBondContact O-N 2.99Å; K10-D13 PolarHBondContact O-N 3.31Å; K11-D13 PolarHBondContact O-N 3.37Å; D13-H15 PolarHBondContact O-N 3.5Å
14G98Very high98.3Very high44 Ų4459.6 Ų59.645%0.45430%0.297SS..THydrogen-bonded Turntrans80.28174.600000115.5K11 R12K11-G14 PolarHBondContact O-N 2.92Å; K11-G14 VanDerWaalsContact O-N 3.15Å; R12-G14 PolarHBondContact O-N 3.05Å
15H98.6Very high98.4Very high110 Ų11059.3 Ų59.351%0.50929%0.293SS..PPolyproline II helixtrans-87144.3179.7-54.7104.3000112K10 K11 D13K10-H15 HydrophobicContact CG-CB 3.7Å; K10-H15 WeakPolarHBondContact O-CB 3.5Å; K10-H15 PolarHBondContact O-N 3Å; K10-H15 PolarHBondContact O-ND1 3.1Å; K11-H15 WeakPolarHBondContact CD-O 3.31Å; D13-H15 PolarHBondContact O-N 3.5Å
16A98.6Very high98.5Very high49 Ų4954 Ų5441%0.40527%0.269SS..PPolyproline II helixtrans-70141.3172.800000111.6K10 E55K10-A16 WeakPolarHBondContact CE-O 3.4Å; K10-A16 PolarHBondContact NZ-O 3.49Å; A16-E55 WeakPolarHBondContact CA-OE1 3.35Å; A16-E55 HydrophobicContact CB-CG 4.33Å
17L98.6Very high98.4Very high14 Ų1452.6 Ų52.67%0.07326%0.264CS..PPolyproline II helixtrans-83.9147.3172.4-57.2-177.9000111.1I7 K10 K11 I22 L42 M51 E55I7-L17 HydrophobicContact CG2-CD1 3.78Å; I7-L17 HydrophobicContact CG2-CD2 3.91Å; I7-L17 HydrophobicContact CG2-CG 4.49Å; K10-L17 HydrophobicContact CB-CD2 4.26Å; K10-L17 HydrophobicContact CD-CD2 3.91Å; K10-L17 HydrophobicContact CG-CD2 4.11Å; K11-L17 HydrophobicContact CB-CD1 4.39Å; K11-L17 HydrophobicContact CB-CD2 4.16Å; K11-L17 HydrophobicContact CB-CG 4.33Å; K11-L17 HydrophobicContact CD-CG 4.28Å; L17-I22 HydrophobicContact CB-CD1 4.01Å; L17-I22 HydrophobicContact CB-CG1 3.76Å; L17-I22 HydrophobicContact CD1-CG1 4.17Å; L17-L42 HydrophobicContact CD1-CD1 4.26Å; L17-M51 HydrophobicContact CD1-CE 4.47Å; L17-E55 PolarHBondContact N-OE1 2.9Å; L17-E55 WeakPolarHBondContact O-CG 3.42Å
18S98.2Very high98.4Very high49 Ų4952.6 Ų52.634%0.34326%0.264SS..PPolyproline II helixtrans-82.3161.3170.761.40000111.4E20 E21 I22S18-E20 VanDerWaalsContact C-N 3.27Å; S18-E20 PolarHBondContact O-N 3.48Å; S18-E21 WeakPolarHBondContact CB-OE2 3.42Å; S18-E21 PolarHBondContact N-OE2 3.29Å; S18-E21 PolarHBondContact O-N 3.4Å; S18-E21 VanDerWaalsContact OG-CG 3.23Å; S18-E21 WeakPolarHBondContact OG-CG 3.31Å; S18-E21 PolarHBondContact OG-N 3.48Å; S18-E21 PolarHBondContact OG-OE2 2.96Å; S18-I22 WeakPolarHBondContact O-CG1 3.27Å; S18-I22 PolarHBondContact O-N 2.86Å
19D97.7Very high98.3Very high67 Ų6751.5 Ų51.536%0.35826%0.259SS..Hα-helixtrans-56.7-41.3176.5-172.772.1000112.2E21 I22 R23 S58D19-E21 PolarHBondContact O-N 2.82Å; D19-I22 PolarHBondContact O-N 3.27Å; D19-R23 WeakPolarHBondContact O-CB 3.19Å; D19-R23 WeakPolarHBondContact O-CG 3.28Å; D19-R23 PolarHBondContact O-N 2.96Å; D19-R23 IonicContact OD1-NE 2.85Å; D19-R23 VanDerWaalsContact OD2-CD 3.25Å; D19-R23 WeakPolarHBondContact OD2-CD 3.42Å; D19-R23 IonicContact OD2-NE 3.68Å; D19-R23 PolarHBondContact OD2-NE 3.37Å; D19-S58 VanDerWaalsContact OD1-CB 3.26Å; D19-S58 WeakPolarHBondContact OD1-CB 3.35Å; D19-S58 PolarHBondContact OD1-OG 2.87Å
20E98.4Very high98.2Very high130 Ų13053.3 Ų53.361%0.60727%0.266SS*.Hα-helixtrans-65.8-40.8-179.2-159-178177.700112.1F2 S18 F24F2-E20 HydrophobicContact CE2-CB 4.32Å; F2-E20 HydrophobicContact CE2-CG 3.52Å; F2-E20 WeakPolarHBondContact CE2-OE1 3.34Å; F2-E20 HydrophobicContact CZ-CB 4.1Å; F2-E20 VanDerWaalsContact CZ-CD 3.41Å; F2-E20 HydrophobicContact CZ-CG 3.72Å; F2-E20 WeakPolarHBondContact CZ-OE2 3.48Å; S18-E20 VanDerWaalsContact C-N 3.27Å; S18-E20 PolarHBondContact O-N 3.48Å; E20-F24 VanDerWaalsContact O-CB 3.27Å; E20-F24 WeakPolarHBondContact O-CB 3.27Å; E20-F24 PolarHBondContact O-N 3.46Å
21E98.7Very high98.1Very high24 Ų2453.9 Ų53.911%0.11227%0.272CS..Hα-helixtrans-64.4-43.8175.1-72.5162.7145.200111.3F2 I7 K10 S18 D19 F24 F25F2-E21 HydrophobicContact CD1-CG 4Å; F2-E21 HydrophobicContact CE1-CG 3.82Å; I7-E21 HydrophobicContact CD1-CB 4.13Å; I7-E21 HydrophobicContact CD1-CG 4.47Å; I7-E21 HydrophobicContact CG1-CB 4.14Å; I7-E21 HydrophobicContact CG1-CG 4.19Å; K10-E21 VanDerWaalsContact CD-OE1 3.29Å; K10-E21 WeakPolarHBondContact CD-OE1 3.49Å; K10-E21 IonicContact NZ-OE1 2.8Å; K10-E21 PolarHBondContact NZ-OE1 3.47Å; K10-E21 IonicContact NZ-OE2 2.7Å; K10-E21 PolarHBondContact NZ-OE2 3.08Å; S18-E21 WeakPolarHBondContact CB-OE2 3.42Å; S18-E21 PolarHBondContact N-OE2 3.29Å; S18-E21 PolarHBondContact O-N 3.4Å; S18-E21 VanDerWaalsContact OG-CG 3.23Å; S18-E21 WeakPolarHBondContact OG-CG 3.31Å; S18-E21 PolarHBondContact OG-N 3.48Å; S18-E21 PolarHBondContact OG-OE2 2.96Å; D19-E21 PolarHBondContact O-N 2.82Å; E21-F24 PolarHBondContact O-N 3.49Å; E21-F25 WeakPolarHBondContact O-CB 3.42Å; E21-F25 PolarHBondContact O-N 3.25Å
22I98.5Very high98Very high5 Ų559 Ų593%0.02630%0.299CS..Hα-helixtrans-64.4-49178.2-68.8168000110.5L17 S18 D19 F24 F25 I26 E55 L59 A62L17-I22 HydrophobicContact CB-CD1 4.01Å; L17-I22 HydrophobicContact CB-CG1 3.76Å; L17-I22 HydrophobicContact CD1-CG1 4.17Å; S18-I22 WeakPolarHBondContact O-CG1 3.27Å; S18-I22 PolarHBondContact O-N 2.86Å; D19-I22 PolarHBondContact O-N 3.27Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.99Å; I22-F25 PolarHBondContact O-N 3.43Å; I22-I26 HydrophobicContact CG2-CG1 4.31Å; I22-I26 WeakPolarHBondContact O-CG1 3.3Å; I22-I26 PolarHBondContact O-N 3.36Å; I22-E55 HydrophobicContact CD1-CB 4.19Å; I22-E55 HydrophobicContact CD1-CG 4.26Å; I22-L59 HydrophobicContact CG2-CB 4.26Å; I22-L59 HydrophobicContact CG2-CD1 4.22Å; I22-A62 HydrophobicContact CG2-CB 4.07Å
23R98.2Very high98Very high77 Ų7757.2 Ų57.229%0.29130%0.304SS..Hα-helixtrans-61.7-40.4178.6-76.1-175.5176.6-85.1-2.7112.1D19 N27 A62 D65D19-R23 WeakPolarHBondContact O-CB 3.19Å; D19-R23 WeakPolarHBondContact O-CG 3.28Å; D19-R23 PolarHBondContact O-N 2.96Å; D19-R23 IonicContact OD1-NE 2.85Å; D19-R23 VanDerWaalsContact OD2-CD 3.25Å; D19-R23 WeakPolarHBondContact OD2-CD 3.42Å; D19-R23 IonicContact OD2-NE 3.68Å; D19-R23 PolarHBondContact OD2-NE 3.37Å; R23-N27 WeakPolarHBondContact O-CB 3.41Å; R23-N27 PolarHBondContact O-N 3.23Å; R23-N27 PolarHBondContact O-ND2 3.39Å; R23-A62 HydrophobicContact CG-CB 3.89Å; R23-D65 IonicContact CZ-OD2 2.75Å; R23-D65 IonicContact NH1-OD2 3.55Å; R23-D65 PolarHBondContact NH1-OD2 3.04Å; R23-D65 IonicContact NH2-OD2 3.03Å; R23-D65 PolarHBondContact NH2-OD2 3.27Å
24F98.5Very high98Very high75 Ų7553.6 Ų53.633%0.32928%0.284SS..Hα-helixtrans-59.4-48.9173.6171.8-94.3000110.9F2 I7 E20 E21 I22 N27 G28F2-F24 HydrophobicContact CB-CB 4.46Å; F2-F24 HydrophobicContact CB-CD1 3.65Å; F2-F24 HydrophobicContact CB-CD2 4Å; F2-F24 HydrophobicContact CB-CE1 3.78Å; F2-F24 HydrophobicContact CB-CE2 4.13Å; F2-F24 HydrophobicContact CB-CG 3.75Å; F2-F24 HydrophobicContact CB-CZ 4.02Å; F2-F24 HydrophobicContact CD2-CB 4.18Å; F2-F24 HydrophobicContact CD2-CD2 4.28Å; F2-F24 HydrophobicContact CD2-CG 4.19Å; F2-F24 HydrophobicContact CG-CG 4.29Å; F2-F24 WeakPolarHBondContact O-CZ 3.19Å; I7-F24 HydrophobicContact CD1-CD1 3.56Å; I7-F24 HydrophobicContact CD1-CE1 4.14Å; E20-F24 VanDerWaalsContact O-CB 3.27Å; E20-F24 WeakPolarHBondContact O-CB 3.27Å; E20-F24 PolarHBondContact O-N 3.46Å; E21-F24 PolarHBondContact O-N 3.49Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.99Å; F24-N27 PolarHBondContact O-N 2.78Å; F24-G28 PolarHBondContact O-N 3.24Å
25F98.7Very high98Very high3 Ų354.4 Ų54.41%0.01328%0.283CS..Hα-helixtrans-63.9-46.1-178.2-155.3-77.3000111.8A4 I7 I8 E21 I22 N27 G28 I29 I34 Q38 L42A4-F25 HydrophobicContact CB-CD2 4.24Å; A4-F25 HydrophobicContact CB-CE2 3.92Å; I7-F25 HydrophobicContact CB-CD2 4.24Å; I7-F25 HydrophobicContact CD1-CD2 4.21Å; I7-F25 HydrophobicContact CG2-CD2 3.95Å; I8-F25 HydrophobicContact CD1-CE2 4.1Å; I8-F25 HydrophobicContact CD1-CZ 4.27Å; I8-F25 HydrophobicContact CG1-CE2 3.97Å; I8-F25 HydrophobicContact CG1-CZ 4.34Å; E21-F25 WeakPolarHBondContact O-CB 3.42Å; E21-F25 PolarHBondContact O-N 3.25Å; I22-F25 PolarHBondContact O-N 3.43Å; F25-N27 PolarHBondContact O-N 2.95Å; F25-G28 WeakPolarHBondContact O-CA 3.48Å; F25-G28 PolarHBondContact O-N 3.2Å; F25-G28 VanDerWaalsContact O-N 3.12Å; F25-I29 HydrophobicContact CD1-CD1 3.9Å; F25-I29 HydrophobicContact CD1-CG1 4.1Å; F25-I29 HydrophobicContact CE1-CD1 3.95Å; F25-I29 HydrophobicContact CE1-CG1 4.17Å; F25-I29 WeakPolarHBondContact O-CG1 3.47Å; F25-I29 PolarHBondContact O-N 3.39Å; F25-I34 HydrophobicContact CB-CD1 4.22Å; F25-I34 HydrophobicContact CD1-CD1 3.79Å; F25-I34 HydrophobicContact CD2-CD1 3.71Å; F25-I34 HydrophobicContact CE1-CD1 4.02Å; F25-I34 HydrophobicContact CE1-CG2 3.86Å; F25-I34 HydrophobicContact CE2-CD1 3.95Å; F25-I34 HydrophobicContact CE2-CG2 4.48Å; F25-I34 HydrophobicContact CG-CD1 3.64Å; F25-I34 HydrophobicContact CZ-CD1 4.1Å; F25-I34 HydrophobicContact CZ-CG2 3.82Å; F25-I34 WeakPolarHBondContact O-CD1 3.39Å; F25-Q38 HydrophobicContact CZ-CB 4.34Å; F25-L42 HydrophobicContact CD1-CD2 3.52Å; F25-L42 HydrophobicContact CD2-CD2 3.86Å; F25-L42 HydrophobicContact CE1-CB 4.14Å; F25-L42 HydrophobicContact CE1-CD2 3.48Å; F25-L42 VanDerWaalsContact CE1-CD2 3.48Å; F25-L42 HydrophobicContact CE1-CG 4.45Å; F25-L42 HydrophobicContact CE2-CB 4.33Å; F25-L42 HydrophobicContact CE2-CD2 3.82Å; F25-L42 HydrophobicContact CG-CD2 3.71Å; F25-L42 HydrophobicContact CZ-CB 3.78Å; F25-L42 HydrophobicContact CZ-CD2 3.63Å; F25-L42 HydrophobicContact CZ-CG 4.32Å
26I98.5Very high98Very high3 Ų354.3 Ų54.32%0.01528%0.283CS..Hα-helixtrans-65.2-39.8-179.8-67.3-54.6000112.3I22 G28 I29 R30 L59 A62 M63 A163 F167I22-I26 HydrophobicContact CG2-CG1 4.31Å; I22-I26 WeakPolarHBondContact O-CG1 3.3Å; I22-I26 PolarHBondContact O-N 3.36Å; I26-G28 VanDerWaalsContact C-N 3.28Å; I26-G28 PolarHBondContact O-N 2.96Å; I26-I29 HydrophobicContact CD1-CD1 4.09Å; I26-I29 WeakPolarHBondContact O-CB 3.35Å; I26-I29 PolarHBondContact O-N 2.96Å; I26-R30 PolarHBondContact O-N 3.15Å; I26-R30 VanDerWaalsContact O-N 3.12Å; I26-L59 HydrophobicContact CD1-CD1 3.67Å; I26-L59 HydrophobicContact CG1-CD1 4Å; I26-A62 HydrophobicContact CB-CB 3.92Å; I26-A62 HydrophobicContact CG1-CB 3.89Å; I26-A62 HydrophobicContact CG2-CB 4.06Å; I26-A62 WeakPolarHBondContact CG2-O 3.24Å; I26-M63 HydrophobicContact CD1-CG 3.8Å; I26-M63 HydrophobicContact CD1-SD 4.41Å; I26-M63 HydrophobicContact CG1-CG 4.15Å; I26-M63 HydrophobicContact CG2-CG 3.99Å; I26-A163 HydrophobicContact CG2-CB 3.59Å; I26-F167 HydrophobicContact CD1-CD2 3.79Å; I26-F167 HydrophobicContact CD1-CE2 3.7Å
27N97.5Very high98Very high60 Ų6054.4 Ų54.432%0.32129%0.288SS..Hα-helixtrans-61.7-40.5172.3-82-60.4000111.5R23 F24 F25 I29 R30 D31R23-N27 WeakPolarHBondContact O-CB 3.41Å; R23-N27 PolarHBondContact O-N 3.23Å; R23-N27 PolarHBondContact O-ND2 3.39Å; F24-N27 PolarHBondContact O-N 2.78Å; F25-N27 PolarHBondContact O-N 2.95Å; N27-I29 VanDerWaalsContact C-N 3.26Å; N27-I29 PolarHBondContact O-N 2.93Å; N27-R30 WeakPolarHBondContact O-CB 3.14Å; N27-R30 PolarHBondContact O-N 2.99Å; N27-D31 PolarHBondContact O-N 3.39Å
28G98Very high98Very high2 Ų256.3 Ų56.32%0.02130%0.297CS..Hα-helixtrans-59.7-34175.500000114.2F24 F25 I26 D31 N32 T33 I34F24-G28 PolarHBondContact O-N 3.24Å; F25-G28 WeakPolarHBondContact O-CA 3.48Å; F25-G28 PolarHBondContact O-N 3.2Å; F25-G28 VanDerWaalsContact O-N 3.12Å; I26-G28 VanDerWaalsContact C-N 3.28Å; I26-G28 PolarHBondContact O-N 2.96Å; G28-D31 VanDerWaalsContact C-OD1 3.3Å; G28-D31 WeakPolarHBondContact CA-OD1 3.23Å; G28-N32 PolarHBondContact O-N 3.16Å; G28-T33 VanDerWaalsContact CA-OG1 3.3Å; G28-T33 WeakPolarHBondContact CA-OG1 3.43Å; G28-T33 PolarHBondContact O-N 3.2Å; G28-T33 VanDerWaalsContact O-N 3.08Å; G28-I34 PolarHBondContact O-N 2.85Å
29I97.7Very high98Very high0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-68.3-45.4172.6-64.2178.9000110.1F25 I26 N27 I34 I39 A163 R166 F167F25-I29 HydrophobicContact CD1-CD1 3.9Å; F25-I29 HydrophobicContact CD1-CG1 4.1Å; F25-I29 HydrophobicContact CE1-CD1 3.95Å; F25-I29 HydrophobicContact CE1-CG1 4.17Å; F25-I29 WeakPolarHBondContact O-CG1 3.47Å; F25-I29 PolarHBondContact O-N 3.39Å; I26-I29 HydrophobicContact CD1-CD1 4.09Å; I26-I29 WeakPolarHBondContact O-CB 3.35Å; I26-I29 PolarHBondContact O-N 2.96Å; N27-I29 VanDerWaalsContact C-N 3.26Å; N27-I29 PolarHBondContact O-N 2.93Å; I29-I34 HydrophobicContact CG1-CG2 4.4Å; I29-I39 HydrophobicContact CB-CD1 4.44Å; I29-I39 HydrophobicContact CD1-CD1 4.26Å; I29-I39 HydrophobicContact CD1-CG1 3.92Å; I29-I39 HydrophobicContact CD1-CG2 4.4Å; I29-I39 HydrophobicContact CG1-CD1 3.93Å; I29-I39 HydrophobicContact CG1-CG1 3.8Å; I29-I39 HydrophobicContact CG2-CD1 3.94Å; I29-A163 HydrophobicContact CG2-CB 4.49Å; I29-A163 WeakPolarHBondContact CG2-O 2.92Å; I29-R166 HydrophobicContact CG2-CB 3.72Å; I29-R166 PolarHBondContact O-NH1 3.37Å; I29-F167 HydrophobicContact CD1-CB 4.46Å; I29-F167 HydrophobicContact CD1-CD2 3.26Å; I29-F167 HydrophobicContact CD1-CE2 3.59Å; I29-F167 HydrophobicContact CD1-CG 4.01Å
30R95.5Very high98Very high123 Ų12351.8 Ų51.846%0.46427%0.272SS..Hα-helixtrans-63.6-47.5-179.5179.8-16369.3150.80.4112.4I26 N27 N32 S66 P162 A163I26-R30 PolarHBondContact O-N 3.15Å; I26-R30 VanDerWaalsContact O-N 3.12Å; N27-R30 WeakPolarHBondContact O-CB 3.14Å; N27-R30 PolarHBondContact O-N 2.99Å; R30-N32 VanDerWaalsContact C-N 3.27Å; R30-N32 PolarHBondContact O-N 3.39Å; R30-S66 WeakPolarHBondContact CD-O 3.4Å; R30-P162 HydrophobicContact CG-CB 4.34Å; R30-P162 HydrophobicContact CG-CG 3.93Å; R30-A163 HydrophobicContact CB-CB 4.22Å
31D96.6Very high98.1Very high77 Ų7747.4 Ų47.441%0.41226%0.258SS..THydrogen-bonded Turntrans-85.42.7-173.865.918000114N27 G28 T33N27-D31 PolarHBondContact O-N 3.39Å; G28-D31 VanDerWaalsContact C-OD1 3.3Å; G28-D31 WeakPolarHBondContact CA-OD1 3.23Å; D31-T33 PolarHBondContact O-N 3.39Å; D31-T33 VanDerWaalsContact OD1-CB 3.27Å; D31-T33 WeakPolarHBondContact OD1-CB 3.27Å; D31-T33 VanDerWaalsContact OD1-CG2 3.26Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.16Å; D31-T33 PolarHBondContact OD1-N 2.85Å; D31-T33 PolarHBondContact OD1-OG1 3.28Å
32N97Very high98.1Very high112 Ų11246.7 Ų46.760%0.59926%0.255SS*.THydrogen-bonded Turntrans64.621.9179.6-153.241.4000114.7G28 R30 R166G28-N32 PolarHBondContact O-N 3.16Å; R30-N32 VanDerWaalsContact C-N 3.27Å; R30-N32 PolarHBondContact O-N 3.39Å; N32-R166 PolarHBondContact OD1-NH1 3.25Å; N32-R166 VanDerWaalsContact OD1-NH1 3.09Å; N32-R166 PolarHBondContact OD1-NH2 3.08Å; N32-R166 VanDerWaalsContact OD1-NH2 3.16Å
33T98.1Very high98.1Very high98 Ų9846.4 Ų46.460%0.60125%0.253SS*.  trans-85.5-13.7171.763.60000113.2G28 D31G28-T33 VanDerWaalsContact CA-OG1 3.3Å; G28-T33 WeakPolarHBondContact CA-OG1 3.43Å; G28-T33 PolarHBondContact O-N 3.2Å; G28-T33 VanDerWaalsContact O-N 3.08Å; D31-T33 PolarHBondContact O-N 3.39Å; D31-T33 VanDerWaalsContact OD1-CB 3.27Å; D31-T33 WeakPolarHBondContact OD1-CB 3.27Å; D31-T33 VanDerWaalsContact OD1-CG2 3.26Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.16Å; D31-T33 PolarHBondContact OD1-N 2.85Å; D31-T33 PolarHBondContact OD1-OG1 3.28Å
34I98.3Very high98.1Very high4 Ų445.9 Ų45.92%0.02126%0.255CS..SBendtrans-105.3129.8170.2-67.3-176.7000110.5A4 F25 G28 I29 Q38 I39 R166A4-I34 HydrophobicContact CB-CD1 3.85Å; A4-I34 HydrophobicContact CB-CG1 4.03Å; F25-I34 HydrophobicContact CB-CD1 4.22Å; F25-I34 HydrophobicContact CD1-CD1 3.79Å; F25-I34 HydrophobicContact CD2-CD1 3.71Å; F25-I34 HydrophobicContact CE1-CD1 4.02Å; F25-I34 HydrophobicContact CE1-CG2 3.86Å; F25-I34 HydrophobicContact CE2-CD1 3.95Å; F25-I34 HydrophobicContact CE2-CG2 4.48Å; F25-I34 HydrophobicContact CG-CD1 3.64Å; F25-I34 HydrophobicContact CZ-CD1 4.1Å; F25-I34 HydrophobicContact CZ-CG2 3.82Å; F25-I34 WeakPolarHBondContact O-CD1 3.39Å; G28-I34 PolarHBondContact O-N 2.85Å; I29-I34 HydrophobicContact CG1-CG2 4.4Å; I34-Q38 HydrophobicContact CG2-CB 3.61Å; I34-I39 HydrophobicContact CG2-CG1 3.99Å; I34-R166 PolarHBondContact O-NH1 3.33Å; I34-R166 PolarHBondContact O-NH2 3.16Å; I34-R166 VanDerWaalsContact O-NH2 3.13Å
35S98.1Very high98.1Very high61 Ų6143 Ų4343%0.42724%0.244SC..  trans-79.6160.1-176.474.10000112.6G37 Q38 I39S35-G37 VanDerWaalsContact C-N 3.3Å; S35-G37 PolarHBondContact O-N 2.79Å; S35-Q38 WeakPolarHBondContact O-CB 3.2Å; S35-Q38 PolarHBondContact O-N 3.44Å; S35-Q38 VanDerWaalsContact O-N 3.07Å; S35-Q38 WeakPolarHBondContact OG-CG 3.32Å; S35-Q38 PolarHBondContact OG-N 3.29Å; S35-Q38 PolarHBondContact OG-OE1 2.73Å; S35-I39 WeakPolarHBondContact O-CG1 3.37Å; S35-I39 PolarHBondContact O-N 2.84Å
36E98Very high98.1Very high108 Ų10842.9 Ų42.951%0.50524%0.243SC..Hα-helixtrans-56.4-42.8177-175.2179.99700112.4Q38 I39 A40 T170E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 3Å; E36-I39 WeakPolarHBondContact O-CB 3.41Å; E36-I39 PolarHBondContact O-N 3.38Å; E36-I39 VanDerWaalsContact O-N 3.14Å; E36-A40 WeakPolarHBondContact O-CB 3.32Å; E36-A40 PolarHBondContact O-N 2.99Å; E36-T170 HydrophobicContact CG-CG2 3.84Å
37G98.5Very high98.1Very high50 Ų5047 Ų4752%0.51526%0.261SS..Hα-helixtrans-61.7-33.4177.200000113.1S35 A41S35-G37 VanDerWaalsContact C-N 3.3Å; S35-G37 PolarHBondContact O-N 2.79Å; G37-A41 VanDerWaalsContact O-CB 3.26Å; G37-A41 WeakPolarHBondContact O-CB 3.24Å; G37-A41 PolarHBondContact O-N 3.4Å
38Q98.7Very high98.1Very high54 Ų5451.1 Ų51.125%0.25228%0.276SS..Hα-helixtrans-71.7-40.3174.4-72.1171.7-35.700111.7I8 F25 I34 S35 E36 A41 L42I8-Q38 HydrophobicContact CD1-CB 3.92Å; I8-Q38 HydrophobicContact CD1-CG 4.12Å; I8-Q38 WeakPolarHBondContact CD1-O 3.33Å; F25-Q38 HydrophobicContact CZ-CB 4.34Å; I34-Q38 HydrophobicContact CG2-CB 3.61Å; S35-Q38 WeakPolarHBondContact O-CB 3.2Å; S35-Q38 PolarHBondContact O-N 3.44Å; S35-Q38 VanDerWaalsContact O-N 3.07Å; S35-Q38 WeakPolarHBondContact OG-CG 3.32Å; S35-Q38 PolarHBondContact OG-N 3.29Å; S35-Q38 PolarHBondContact OG-OE1 2.73Å; E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 3Å; Q38-A41 PolarHBondContact O-N 2.79Å; Q38-L42 PolarHBondContact O-N 2.82Å
39I98.8Very high98.1Very high0 Ų055.5 Ų55.50%030%0.296CS..Hα-helixtrans-59.7-51.6174.3-61.8170.6000109.8I29 I34 S35 E36 A41 L42 A43 F167 T170I29-I39 HydrophobicContact CB-CD1 4.44Å; I29-I39 HydrophobicContact CD1-CD1 4.26Å; I29-I39 HydrophobicContact CD1-CG1 3.92Å; I29-I39 HydrophobicContact CD1-CG2 4.4Å; I29-I39 HydrophobicContact CG1-CD1 3.93Å; I29-I39 HydrophobicContact CG1-CG1 3.8Å; I29-I39 HydrophobicContact CG2-CD1 3.94Å; I34-I39 HydrophobicContact CG2-CG1 3.99Å; S35-I39 WeakPolarHBondContact O-CG1 3.37Å; S35-I39 PolarHBondContact O-N 2.84Å; E36-I39 WeakPolarHBondContact O-CB 3.41Å; E36-I39 PolarHBondContact O-N 3.38Å; E36-I39 VanDerWaalsContact O-N 3.14Å; I39-A41 VanDerWaalsContact C-N 3.32Å; I39-A41 PolarHBondContact O-N 3.35Å; I39-L42 PolarHBondContact O-N 3.34Å; I39-A43 WeakPolarHBondContact O-CB 2.81Å; I39-A43 PolarHBondContact O-N 3.47Å; I39-F167 HydrophobicContact CG2-CD1 3.97Å; I39-F167 HydrophobicContact CG2-CE1 4.19Å; I39-F167 HydrophobicContact CG2-CG 4.3Å; I39-T170 HydrophobicContact CB-CG2 4.04Å; I39-T170 HydrophobicContact CG2-CG2 3.79Å
40A98.5Very high98.1Very high21 Ų2158.6 Ų58.617%0.17431%0.313CS..Hα-helixtrans-58.3-43.6178.900000112E36 A43 M44 T170 T174E36-A40 WeakPolarHBondContact O-CB 3.32Å; E36-A40 PolarHBondContact O-N 2.99Å; A40-A43 PolarHBondContact O-N 2.79Å; A40-M44 WeakPolarHBondContact O-CB 3.35Å; A40-M44 PolarHBondContact O-N 3.01Å; A40-T170 HydrophobicContact CB-CG2 3.86Å; A40-T174 HydrophobicContact CB-CG2 3.78Å
41A98.7Very high98.2Very high39 Ų3953.1 Ų53.132%0.32229%0.293SS..Hα-helixtrans-63.7-44.1178.600000112.2I8 G37 Q38 I39 M44 T45I8-A41 HydrophobicContact CD1-CB 4.15Å; I8-A41 HydrophobicContact CG2-CB 3.97Å; G37-A41 VanDerWaalsContact O-CB 3.26Å; G37-A41 WeakPolarHBondContact O-CB 3.24Å; G37-A41 PolarHBondContact O-N 3.4Å; Q38-A41 PolarHBondContact O-N 2.79Å; I39-A41 VanDerWaalsContact C-N 3.32Å; I39-A41 PolarHBondContact O-N 3.35Å; A41-M44 PolarHBondContact O-N 3.47Å; A41-T45 WeakPolarHBondContact O-CG2 3.16Å; A41-T45 PolarHBondContact O-N 3.07Å; A41-T45 VanDerWaalsContact O-N 3.07Å; A41-T45 PolarHBondContact O-OG1 2.84Å
42L98.9Very high98.2Very high8 Ų852.9 Ų52.94%0.04229%0.294CS..Hα-helixtrans-67.6-40.8175.5-173.763.4000111.8I8 K11 L17 F25 Q38 I39 M44 T45 I46I8-L42 HydrophobicContact CG1-CB 4.02Å; I8-L42 HydrophobicContact CG1-CD1 4.42Å; K11-L42 HydrophobicContact CB-CD1 4.07Å; K11-L42 HydrophobicContact CG-CD1 4.28Å; L17-L42 HydrophobicContact CD1-CD1 4.26Å; F25-L42 HydrophobicContact CD1-CD2 3.52Å; F25-L42 HydrophobicContact CD2-CD2 3.86Å; F25-L42 HydrophobicContact CE1-CB 4.14Å; F25-L42 HydrophobicContact CE1-CD2 3.48Å; F25-L42 VanDerWaalsContact CE1-CD2 3.48Å; F25-L42 HydrophobicContact CE1-CG 4.45Å; F25-L42 HydrophobicContact CE2-CB 4.33Å; F25-L42 HydrophobicContact CE2-CD2 3.82Å; F25-L42 HydrophobicContact CG-CD2 3.71Å; F25-L42 HydrophobicContact CZ-CB 3.78Å; F25-L42 HydrophobicContact CZ-CD2 3.63Å; F25-L42 HydrophobicContact CZ-CG 4.32Å; Q38-L42 PolarHBondContact O-N 2.82Å; I39-L42 PolarHBondContact O-N 3.34Å; L42-M44 VanDerWaalsContact C-N 3.27Å; L42-M44 PolarHBondContact O-N 3.34Å; L42-T45 PolarHBondContact O-N 2.79Å; L42-T45 PolarHBondContact O-OG1 2.87Å; L42-I46 HydrophobicContact CD1-CD1 4.37Å; L42-I46 HydrophobicContact CD2-CD1 4.46Å; L42-I46 HydrophobicContact CG-CD1 3.91Å; L42-I46 HydrophobicContact CG-CG1 4.49Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 2.84Å
43A98.8Very high97.9Very high0 Ų051.4 Ų51.40%028%0.284CS..Hα-helixtrans-59.5-41.5177.400000111.2I39 A40 I46 F47 F167 R171 T176 L182I39-A43 WeakPolarHBondContact O-CB 2.81Å; I39-A43 PolarHBondContact O-N 3.47Å; A40-A43 PolarHBondContact O-N 2.79Å; A43-I46 PolarHBondContact O-N 3.08Å; A43-F47 PolarHBondContact O-N 2.83Å; A43-F167 HydrophobicContact CB-CE1 4.04Å; A43-R171 HydrophobicContact CB-CG 4.29Å; A43-T176 HydrophobicContact CB-CG2 4.05Å; A43-T176 WeakPolarHBondContact CB-OG1 3.38Å; A43-L182 HydrophobicContact CB-CD1 4.16Å
44M98.8Very high97.7Very high65 Ų6551 Ų5132%0.3228%0.284SS..Hα-helixtrans-70.5-36.6178.1-167.759.670.400112.6A40 A41 L42 I46 F47 F48 T176A40-M44 WeakPolarHBondContact O-CB 3.35Å; A40-M44 PolarHBondContact O-N 3.01Å; A41-M44 PolarHBondContact O-N 3.47Å; L42-M44 VanDerWaalsContact C-N 3.27Å; L42-M44 PolarHBondContact O-N 3.34Å; M44-I46 VanDerWaalsContact C-N 3.34Å; M44-F47 WeakPolarHBondContact O-CB 3.2Å; M44-F47 PolarHBondContact O-N 3.47Å; M44-F47 HydrophobicContact SD-CB 4.35Å; M44-F47 HydrophobicContact SD-CD1 4.24Å; M44-F47 HydrophobicContact SD-CG 4.47Å; M44-F48 HydrophobicContact CG-CD2 4.05Å; M44-F48 HydrophobicContact CG-CE2 3.67Å; M44-F48 WeakPolarHBondContact O-CD2 3.46Å; M44-F48 PolarHBondContact O-N 3.43Å; M44-F48 HydrophobicContact SD-CD2 4.22Å; M44-F48 HydrophobicContact SD-CE2 3.59Å; M44-F48 VanDerWaalsContact SD-CE2 3.59Å; M44-F48 HydrophobicContact SD-CZ 4.24Å; M44-T176 HydrophobicContact CB-CG2 4.19Å; M44-T176 HydrophobicContact CE-CG2 3.42Å; M44-T176 VanDerWaalsContact CE-CG2 3.42Å; M44-T176 HydrophobicContact SD-CG2 3.99Å
45T98.8Very high97.7Very high15 Ų1551 Ų519%0.09228%0.283CS..Hα-helixtrans-67.7-36.5174.359.30000111.8I8 R12 A41 L42 F48 H49I8-T45 HydrophobicContact CG2-CG2 4.45Å; R12-T45 HydrophobicContact CB-CG2 3.63Å; R12-T45 HydrophobicContact CG-CG2 4.12Å; A41-T45 WeakPolarHBondContact O-CG2 3.16Å; A41-T45 PolarHBondContact O-N 3.07Å; A41-T45 VanDerWaalsContact O-N 3.07Å; A41-T45 PolarHBondContact O-OG1 2.84Å; L42-T45 PolarHBondContact O-N 2.79Å; L42-T45 PolarHBondContact O-OG1 2.87Å; T45-F48 PolarHBondContact O-N 3.34Å; T45-H49 WeakPolarHBondContact O-CB 3.49Å; T45-H49 PolarHBondContact O-N 3.48Å
46I98.8Very high97.6Very high1 Ų150.1 Ų50.11%0.00527%0.271CS..Hα-helixtrans-65.5-38.7172.1-67.1165.9000111.1K11 L42 A43 M44 F48 D50 M51 P181 L182K11-I46 HydrophobicContact CG-CG1 4.35Å; L42-I46 HydrophobicContact CD1-CD1 4.37Å; L42-I46 HydrophobicContact CD2-CD1 4.46Å; L42-I46 HydrophobicContact CG-CD1 3.91Å; L42-I46 HydrophobicContact CG-CG1 4.49Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 2.84Å; A43-I46 PolarHBondContact O-N 3.08Å; M44-I46 VanDerWaalsContact C-N 3.34Å; I46-F48 VanDerWaalsContact C-N 3.29Å; I46-F48 PolarHBondContact O-N 2.95Å; I46-D50 VanDerWaalsContact O-CA 3.23Å; I46-D50 WeakPolarHBondContact O-CA 3.44Å; I46-D50 PolarHBondContact O-N 3.43Å; I46-M51 HydrophobicContact CD1-CE 3.51Å; I46-M51 HydrophobicContact CD1-SD 4.12Å; I46-M51 HydrophobicContact CG1-CE 3.89Å; I46-M51 HydrophobicContact CG1-CG 4.38Å; I46-M51 HydrophobicContact CG1-SD 4.34Å; I46-M51 HydrophobicContact CG2-CG 4.16Å; I46-M51 HydrophobicContact CG2-SD 4.28Å; I46-P181 HydrophobicContact CG2-CB 4.31Å; I46-P181 HydrophobicContact CG2-CG 3.59Å; I46-L182 HydrophobicContact CB-CD2 4.35Å; I46-L182 HydrophobicContact CD1-CD2 3.83Å; I46-L182 HydrophobicContact CG2-CD1 4.35Å; I46-L182 HydrophobicContact CG2-CD2 3.84Å; I46-L182 HydrophobicContact CG2-CG 3.86Å
47F98.1Very high97.4Very high89 Ų8946.6 Ų46.639%0.3926%0.256SS..Hα-helixtrans-57-42.8175.1179.6-89.3000111.9A43 M44 D178A43-F47 PolarHBondContact O-N 2.83Å; M44-F47 WeakPolarHBondContact O-CB 3.2Å; M44-F47 PolarHBondContact O-N 3.47Å; M44-F47 HydrophobicContact SD-CB 4.35Å; M44-F47 HydrophobicContact SD-CD1 4.24Å; M44-F47 HydrophobicContact SD-CG 4.47Å; F47-D178 WeakPolarHBondContact CE2-O 3.31Å
48F98.2Very high97.3Very high146 Ų14645 Ų4564%0.6424%0.238SC*.Hα-helixtrans-82.4-36.4-179.4-72.5-64.1000115M44 T45 I46M44-F48 HydrophobicContact CG-CD2 4.05Å; M44-F48 HydrophobicContact CG-CE2 3.67Å; M44-F48 WeakPolarHBondContact O-CD2 3.46Å; M44-F48 PolarHBondContact O-N 3.43Å; M44-F48 HydrophobicContact SD-CD2 4.22Å; M44-F48 HydrophobicContact SD-CE2 3.59Å; M44-F48 VanDerWaalsContact SD-CE2 3.59Å; M44-F48 HydrophobicContact SD-CZ 4.24Å; T45-F48 PolarHBondContact O-N 3.34Å; I46-F48 VanDerWaalsContact C-N 3.29Å; I46-F48 PolarHBondContact O-N 2.95Å
49H98.2Very high97.2Very high94 Ų9442.7 Ų42.744%0.43523%0.227SC..Hα-helixtrans-103.6-3.3-173.3-73.4-60.2000114.8K11 R12 T45K11-H49 PolarHBondContact O-CD2 3.24Å; R12-H49 PolarHBondContact O-NE2 3.31Å; T45-H49 WeakPolarHBondContact O-CB 3.49Å; T45-H49 PolarHBondContact O-N 3.48Å
50D97.6Very high97.1Very high65 Ų6542.7 Ų42.735%0.34823%0.227SC..  trans53.7-167.2-171.3-152.4-32.3000111.3K11 I46 R56 P181K11-D50 WeakPolarHBondContact CE-O 3.4Å; K11-D50 PolarHBondContact NZ-O 3.37Å; I46-D50 VanDerWaalsContact O-CA 3.23Å; I46-D50 WeakPolarHBondContact O-CA 3.44Å; I46-D50 PolarHBondContact O-N 3.43Å; D50-R56 IonicContact OD1-CZ 3.29Å; D50-R56 IonicContact OD1-NE 3.44Å; D50-R56 IonicContact OD1-NH2 2.98Å; D50-R56 PolarHBondContact OD1-NH2 2.93Å; D50-R56 IonicContact OD2-NH2 2.65Å; D50-R56 PolarHBondContact OD2-NH2 3.47Å; D50-P181 WeakPolarHBondContact OD1-CD 3.41Å; D50-P181 WeakPolarHBondContact OD1-CG 3.45Å
51M97.6Very high97Very high9 Ų942.6 Ų42.64%0.04422%0.223CC..  trans-135.5138172.9-82.7-178.515000109.2L17 I46 E55 R56 L59 P181L17-M51 HydrophobicContact CD1-CE 4.47Å; I46-M51 HydrophobicContact CD1-CE 3.51Å; I46-M51 HydrophobicContact CD1-SD 4.12Å; I46-M51 HydrophobicContact CG1-CE 3.89Å; I46-M51 HydrophobicContact CG1-CG 4.38Å; I46-M51 HydrophobicContact CG1-SD 4.34Å; I46-M51 HydrophobicContact CG2-CG 4.16Å; I46-M51 HydrophobicContact CG2-SD 4.28Å; M51-E55 HydrophobicContact CB-CB 3.75Å; M51-E55 HydrophobicContact CE-CB 4.4Å; M51-E55 HydrophobicContact CG-CB 3.9Å; M51-E55 HydrophobicContact SD-CB 4.18Å; M51-R56 HydrophobicContact CB-CG 3.79Å; M51-R56 PolarHBondContact O-NE 3.49Å; M51-L59 HydrophobicContact CE-CD2 4.32Å; M51-L59 HydrophobicContact SD-CB 4.35Å; M51-L59 HydrophobicContact SD-CD2 3.75Å; M51-P181 HydrophobicContact CB-CB 3.86Å; M51-P181 HydrophobicContact CB-CG 4.4Å; M51-P181 HydrophobicContact CG-CB 4.3Å; M51-P181 HydrophobicContact SD-CB 4.23Å
52T95.7Very high96.9Very high72 Ų7241 Ų4144%0.44221%0.209SC..  trans-62.9161.9169.9610000110.9E55 R56T52-E55 WeakPolarHBondContact CB-OE2 3.24Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.33Å; T52-E55 PolarHBondContact N-OE2 3.18Å; T52-E55 WeakPolarHBondContact O-CB 3.39Å; T52-E55 PolarHBondContact O-N 2.96Å; T52-E55 WeakPolarHBondContact OG1-CG 3.35Å; T52-E55 PolarHBondContact OG1-OE2 2.9Å; T52-R56 WeakPolarHBondContact O-CG 3.36Å; T52-R56 PolarHBondContact O-N 3.48Å
53M91.7Very high96.8Very high80 Ų8040.8 Ų40.839%0.39421%0.208SC..Hα-helixtrans-55.2-44.2179.8-173.859.1-175.800113.5E55 R56 V57 G226 V227M53-E55 PolarHBondContact O-N 3.46Å; M53-R56 PolarHBondContact O-N 3.19Å; M53-V57 HydrophobicContact CE-CG2 3.96Å; M53-V57 WeakPolarHBondContact O-CG2 3.49Å; M53-V57 PolarHBondContact O-N 2.97Å; M53-G226 VanDerWaalsContact CE-O 3.25Å; M53-G226 WeakPolarHBondContact CE-O 3.44Å; M53-V227 HydrophobicContact CE-CB 4.47Å; M53-V227 HydrophobicContact CE-CG2 3.88Å; M53-V227 HydrophobicContact SD-CG2 4.06Å
54P94.1Very high96.7Very high91 Ų9143.2 Ų43.259%0.59122%0.218SC*.Hα-helixtrans-60-40.7173.1-2536.2000113.6V57 S58P54-V57 PolarHBondContact O-N 2.87Å; P54-S58 WeakPolarHBondContact O-CB 3.35Å; P54-S58 PolarHBondContact O-N 3.44Å; P54-S58 PolarHBondContact O-OG 3.14Å
55E97.1Very high96.5Very high3 Ų342.9 Ų42.91%0.01422%0.217CC..Hα-helixtrans-64.2-41.8176.7-73.2173.3104.300112K11 A16 L17 I22 M51 T52 M53 V57 S58 L59K11-E55 IonicContact NZ-OE1 2.79Å; K11-E55 PolarHBondContact NZ-OE1 3.42Å; K11-E55 IonicContact NZ-OE2 3.28Å; K11-E55 PolarHBondContact NZ-OE2 3.01Å; A16-E55 WeakPolarHBondContact CA-OE1 3.35Å; A16-E55 HydrophobicContact CB-CG 4.33Å; L17-E55 PolarHBondContact N-OE1 2.9Å; L17-E55 WeakPolarHBondContact O-CG 3.42Å; I22-E55 HydrophobicContact CD1-CB 4.19Å; I22-E55 HydrophobicContact CD1-CG 4.26Å; M51-E55 HydrophobicContact CB-CB 3.75Å; M51-E55 HydrophobicContact CE-CB 4.4Å; M51-E55 HydrophobicContact CG-CB 3.9Å; M51-E55 HydrophobicContact SD-CB 4.18Å; T52-E55 WeakPolarHBondContact CB-OE2 3.24Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.33Å; T52-E55 PolarHBondContact N-OE2 3.18Å; T52-E55 WeakPolarHBondContact O-CB 3.39Å; T52-E55 PolarHBondContact O-N 2.96Å; T52-E55 WeakPolarHBondContact OG1-CG 3.35Å; T52-E55 PolarHBondContact OG1-OE2 2.9Å; M53-E55 PolarHBondContact O-N 3.46Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.11Å; E55-S58 PolarHBondContact O-N 3.06Å; E55-L59 WeakPolarHBondContact O-CB 3.37Å; E55-L59 PolarHBondContact O-N 3.5Å
56R95.8Very high96.4Very high42 Ų4242.2 Ų42.216%0.15821%0.213CC..Hα-helixtrans-61.3-42.9177.3-67.9177.5-175.9-171.4-2111.5D50 M51 T52 M53 T60 P181 V227D50-R56 IonicContact OD1-CZ 3.29Å; D50-R56 IonicContact OD1-NE 3.44Å; D50-R56 IonicContact OD1-NH2 2.98Å; D50-R56 PolarHBondContact OD1-NH2 2.93Å; D50-R56 IonicContact OD2-NH2 2.65Å; D50-R56 PolarHBondContact OD2-NH2 3.47Å; M51-R56 HydrophobicContact CB-CG 3.79Å; M51-R56 PolarHBondContact O-NE 3.49Å; T52-R56 WeakPolarHBondContact O-CG 3.36Å; T52-R56 PolarHBondContact O-N 3.48Å; M53-R56 PolarHBondContact O-N 3.19Å; R56-T60 WeakPolarHBondContact O-CB 3.46Å; R56-T60 PolarHBondContact O-N 3.18Å; R56-T60 VanDerWaalsContact O-N 3.1Å; R56-T60 PolarHBondContact O-OG1 2.94Å; R56-P181 HydrophobicContact CG-CB 3.93Å; R56-V227 HydrophobicContact CB-CG2 3.82Å
57V93.6Very high96.1Very high34 Ų3443.6 Ų43.621%0.20623%0.227CC..Hα-helixtrans-63.7-51175173.20000110.4M53 P54 E55 L59 T60 M61 V227M53-V57 HydrophobicContact CE-CG2 3.96Å; M53-V57 WeakPolarHBondContact O-CG2 3.49Å; M53-V57 PolarHBondContact O-N 2.97Å; P54-V57 PolarHBondContact O-N 2.87Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.11Å; V57-L59 VanDerWaalsContact C-N 3.34Å; V57-L59 PolarHBondContact O-N 3.49Å; V57-T60 PolarHBondContact O-N 3.43Å; V57-M61 HydrophobicContact CG1-CE 4.27Å; V57-M61 HydrophobicContact CG1-CG 4.22Å; V57-M61 WeakPolarHBondContact O-CG 3.37Å; V57-M61 PolarHBondContact O-N 3.44Å; V57-V227 HydrophobicContact CG2-CG1 4.34Å; V57-V227 HydrophobicContact CG2-CG2 4.23Å
58S96.2Very high95.8Very high17 Ų1741.9 Ų41.912%0.11923%0.225CC..Hα-helixtrans-58.2-42.8178.3-77.40000112.7D19 P54 E55 T60 M61 A62D19-S58 VanDerWaalsContact OD1-CB 3.26Å; D19-S58 WeakPolarHBondContact OD1-CB 3.35Å; D19-S58 PolarHBondContact OD1-OG 2.87Å; P54-S58 WeakPolarHBondContact O-CB 3.35Å; P54-S58 PolarHBondContact O-N 3.44Å; P54-S58 PolarHBondContact O-OG 3.14Å; E55-S58 PolarHBondContact O-N 3.06Å; S58-T60 VanDerWaalsContact C-N 3.35Å; S58-T60 PolarHBondContact O-N 3.28Å; S58-M61 PolarHBondContact O-N 2.92Å; S58-A62 WeakPolarHBondContact O-CB 3.41Å; S58-A62 PolarHBondContact O-N 3.39Å
59L97.7Very high95.6Very high5 Ų538 Ų383%0.02621%0.212CC..Hα-helixtrans-61.2-46.2177.8-178.264.6000111I22 I26 M51 E55 V57 A62 M63 F167 L182 A185I22-L59 HydrophobicContact CG2-CB 4.26Å; I22-L59 HydrophobicContact CG2-CD1 4.22Å; I26-L59 HydrophobicContact CD1-CD1 3.67Å; I26-L59 HydrophobicContact CG1-CD1 4Å; M51-L59 HydrophobicContact CE-CD2 4.32Å; M51-L59 HydrophobicContact SD-CB 4.35Å; M51-L59 HydrophobicContact SD-CD2 3.75Å; E55-L59 WeakPolarHBondContact O-CB 3.37Å; E55-L59 PolarHBondContact O-N 3.5Å; V57-L59 VanDerWaalsContact C-N 3.34Å; V57-L59 PolarHBondContact O-N 3.49Å; L59-A62 PolarHBondContact O-N 2.85Å; L59-M63 HydrophobicContact CD1-CG 4.46Å; L59-M63 HydrophobicContact CD1-SD 3.99Å; L59-M63 HydrophobicContact CG-SD 3.97Å; L59-M63 WeakPolarHBondContact O-CB 3.49Å; L59-M63 VanDerWaalsContact O-CG 3.28Å; L59-M63 WeakPolarHBondContact O-CG 3.35Å; L59-M63 PolarHBondContact O-N 3.09Å; L59-F167 HydrophobicContact CD1-CE2 4.49Å; L59-L182 HydrophobicContact CD2-CD2 4.05Å; L59-A185 HydrophobicContact CB-CB 4.18Å; L59-A185 HydrophobicContact CD2-CB 3.57Å; L59-A185 HydrophobicContact CG-CB 3.59Å
60T96.7Very high95.3Very high0 Ų034.6 Ų34.60%020%0.198CC..Hα-helixtrans-62.6-49.2179.1-56.20000111.6R56 V57 S58 M63 R64 A185 L188 L192 V227R56-T60 WeakPolarHBondContact O-CB 3.46Å; R56-T60 PolarHBondContact O-N 3.18Å; R56-T60 VanDerWaalsContact O-N 3.1Å; R56-T60 PolarHBondContact O-OG1 2.94Å; V57-T60 PolarHBondContact O-N 3.43Å; S58-T60 VanDerWaalsContact C-N 3.35Å; S58-T60 PolarHBondContact O-N 3.28Å; T60-M63 PolarHBondContact O-N 3.2Å; T60-R64 WeakPolarHBondContact O-CB 3.43Å; T60-R64 PolarHBondContact O-N 2.95Å; T60-A185 VanDerWaalsContact OG1-CA 3.32Å; T60-A185 WeakPolarHBondContact OG1-CA 3.44Å; T60-A185 WeakPolarHBondContact OG1-CB 3.14Å; T60-L188 HydrophobicContact CG2-CB 3.44Å; T60-L188 VanDerWaalsContact CG2-CB 3.44Å; T60-L188 HydrophobicContact CG2-CD1 4.41Å; T60-L192 HydrophobicContact CG2-CD1 3.81Å; T60-V227 HydrophobicContact CG2-CG1 3.9Å; T60-V227 WeakPolarHBondContact OG1-CG1 3.23Å
61M95.9Very high95.2Very high20 Ų2035 Ų3510%0.09920%0.2CC..Hα-helixtrans-64.8-42.5179.2-63-47.3130.200111.5V57 S58 M63 R64 D65 L192 A231V57-M61 HydrophobicContact CG1-CE 4.27Å; V57-M61 HydrophobicContact CG1-CG 4.22Å; V57-M61 WeakPolarHBondContact O-CG 3.37Å; V57-M61 PolarHBondContact O-N 3.44Å; S58-M61 PolarHBondContact O-N 2.92Å; M61-M63 VanDerWaalsContact C-N 3.31Å; M61-M63 PolarHBondContact O-N 3.27Å; M61-R64 PolarHBondContact O-N 2.81Å; M61-R64 VanDerWaalsContact SD-CZ 3.56Å; M61-R64 PolarHBondContact SD-NH1 2.77Å; M61-R64 VanDerWaalsContact SD-NH1 3.4Å; M61-D65 WeakPolarHBondContact O-CB 3.26Å; M61-D65 PolarHBondContact O-N 3.21Å; M61-L192 HydrophobicContact CE-CD1 3.85Å; M61-A231 HydrophobicContact CE-CB 3.17Å; M61-A231 HydrophobicContact SD-CB 4.12Å
62A97.4Very high95.2Very high4 Ų435.2 Ų35.23%0.03320%0.2CC..Hα-helixtrans-61.2-40.8177.400000111.7I22 R23 I26 S58 L59 S66I22-A62 HydrophobicContact CG2-CB 4.07Å; R23-A62 HydrophobicContact CG-CB 3.89Å; I26-A62 HydrophobicContact CB-CB 3.92Å; I26-A62 HydrophobicContact CG1-CB 3.89Å; I26-A62 HydrophobicContact CG2-CB 4.06Å; I26-A62 WeakPolarHBondContact CG2-O 3.24Å; S58-A62 WeakPolarHBondContact O-CB 3.41Å; S58-A62 PolarHBondContact O-N 3.39Å; L59-A62 PolarHBondContact O-N 2.85Å; A62-S66 PolarHBondContact O-N 3.01Å; A62-S66 VanDerWaalsContact O-N 3.07Å
63M96.7Very high95.3Very high4 Ų439.7 Ų39.72%0.0221%0.213CC..Hα-helixtrans-70.3-41.9178.1-72.7172.965.200111.9I26 L59 T60 M61 S66 D164 A185 A189I26-M63 HydrophobicContact CD1-CG 3.8Å; I26-M63 HydrophobicContact CD1-SD 4.41Å; I26-M63 HydrophobicContact CG1-CG 4.15Å; I26-M63 HydrophobicContact CG2-CG 3.99Å; L59-M63 HydrophobicContact CD1-CG 4.46Å; L59-M63 HydrophobicContact CD1-SD 3.99Å; L59-M63 HydrophobicContact CG-SD 3.97Å; L59-M63 WeakPolarHBondContact O-CB 3.49Å; L59-M63 VanDerWaalsContact O-CG 3.28Å; L59-M63 WeakPolarHBondContact O-CG 3.35Å; L59-M63 PolarHBondContact O-N 3.09Å; T60-M63 PolarHBondContact O-N 3.2Å; M61-M63 VanDerWaalsContact C-N 3.31Å; M61-M63 PolarHBondContact O-N 3.27Å; M63-S66 WeakPolarHBondContact O-CB 3.47Å; M63-S66 PolarHBondContact O-N 2.96Å; M63-S66 PolarHBondContact O-OG 3.34Å; M63-D164 HydrophobicContact CE-CB 3.51Å; M63-D164 WeakPolarHBondContact CE-OD1 3.23Å; M63-A185 HydrophobicContact SD-CB 3.86Å; M63-A189 HydrophobicContact CB-CB 3.46Å; M63-A189 VanDerWaalsContact CB-CB 3.46Å; M63-A189 HydrophobicContact CE-CB 4.3Å
64R95.3Very high95.5Very high51 Ų5139.5 Ų39.519%0.19222%0.22CC..Hα-helixtrans-57.1-52171.8-176.2-162.166.6-167.8-5.1111T60 M61 S66 G67 V69 L192 A193T60-R64 WeakPolarHBondContact O-CB 3.43Å; T60-R64 PolarHBondContact O-N 2.95Å; M61-R64 PolarHBondContact O-N 2.81Å; M61-R64 VanDerWaalsContact SD-CZ 3.56Å; M61-R64 PolarHBondContact SD-NH1 2.77Å; M61-R64 VanDerWaalsContact SD-NH1 3.4Å; R64-S66 PolarHBondContact O-N 2.75Å; R64-S66 VanDerWaalsContact O-N 3.17Å; R64-G67 PolarHBondContact O-N 3.43Å; R64-V69 HydrophobicContact CG-CG2 3.86Å; R64-L192 HydrophobicContact CG-CB 4.22Å; R64-A193 HydrophobicContact CG-CB 4.02Å
65D96.2Very high95.6Very high58 Ų5837.1 Ų37.131%0.3120%0.202SC..THydrogen-bonded Turntrans-72.9-4.7-176.2-59.5-14.7000112.9R23 M61 G67R23-D65 IonicContact CZ-OD2 2.75Å; R23-D65 IonicContact NH1-OD2 3.55Å; R23-D65 PolarHBondContact NH1-OD2 3.04Å; R23-D65 IonicContact NH2-OD2 3.03Å; R23-D65 PolarHBondContact NH2-OD2 3.27Å; M61-D65 WeakPolarHBondContact O-CB 3.26Å; M61-D65 PolarHBondContact O-N 3.21Å; D65-G67 PolarHBondContact O-N 3.27Å
66S95.7Very high95.7Very high2 Ų244.9 Ų44.91%0.01424%0.238CC..THydrogen-bonded Turntrans-68.1-15.3174.574.40000112.5R30 A62 M63 R64 P162 A163R30-S66 WeakPolarHBondContact CD-O 3.4Å; A62-S66 PolarHBondContact O-N 3.01Å; A62-S66 VanDerWaalsContact O-N 3.07Å; M63-S66 WeakPolarHBondContact O-CB 3.47Å; M63-S66 PolarHBondContact O-N 2.96Å; M63-S66 PolarHBondContact O-OG 3.34Å; R64-S66 PolarHBondContact O-N 2.75Å; R64-S66 VanDerWaalsContact O-N 3.17Å; S66-P162 WeakPolarHBondContact O-CG 3.2Å; S66-P162 VanDerWaalsContact OG-CD 3.31Å; S66-P162 WeakPolarHBondContact OG-CD 3.28Å; S66-A163 WeakPolarHBondContact OG-CB 3.45Å; S66-A163 PolarHBondContact OG-N 3.21Å; S66-A163 VanDerWaalsContact OG-N 3.16Å
67G93.1Very high95.8Very high29 Ų2944.5 Ų44.530%0.29924%0.239SC..SBendtrans-140.2-155.6-175.700000113.9R64 D65 S159R64-G67 PolarHBondContact O-N 3.43Å; D65-G67 PolarHBondContact O-N 3.27Å; G67-S159 CarbonylContact C-O 3.35Å; G67-S159 WeakPolarHBondContact CA-O 3.25Å
68T91.4Very high95.9Very high54 Ų5450.3 Ų50.333%0.33127%0.269SS..  trans-71.8134.2174.9-57.80000109.7L70 S159T68-L70 HydrophobicContact CG2-CD2 4.17Å; T68-S159 PolarHBondContact N-O 3.39Å; T68-S159 WeakPolarHBondContact OG1-CB 3.49Å; T68-S159 PolarHBondContact OG1-OG 2.93Å
69V93.5Very high96Very high63 Ų6350.6 Ų50.638%0.38227%0.274SS..  trans-114.3120166.9-179.90000106.8R64 A193R64-V69 HydrophobicContact CG-CG2 3.86Å; V69-A193 CarbonylContact C-O 3.45Å; V69-A193 WeakPolarHBondContact CA-O 3.45Å
70L93.2Very high96.1Very high24 Ų2451.1 Ų51.113%0.12628%0.278CS..  trans-68.7143.3-178.7-58.5-178.1000110.5T68 W72 I112 F142 L160 A193 G195T68-L70 HydrophobicContact CG2-CD2 4.17Å; L70-W72 HydrophobicContact CB-CZ2 4.34Å; L70-W72 HydrophobicContact CD1-CZ2 3.82Å; L70-I112 HydrophobicContact CD1-CD1 4.41Å; L70-F142 HydrophobicContact CD1-CD1 4.46Å; L70-F142 HydrophobicContact CD1-CE1 3.77Å; L70-L160 HydrophobicContact CG-CD1 4.5Å; L70-A193 PolarHBondContact N-O 3.26Å; L70-G195 WeakPolarHBondContact O-CA 3.43Å
71D95.4Very high96.2Very high74 Ų7451.6 Ų51.640%0.39628%0.28SS..  trans-127.7128.8172.2177.291.6000110.4K73 R143D71-K73 IonicContact OD1-NZ 3.98Å; D71-K73 WeakPolarHBondContact OD2-CB 3.29Å; D71-K73 PolarHBondContact OD2-N 3.14Å; D71-R143 PolarHBondContact O-NH1 2.82Å; D71-R143 PolarHBondContact O-NH2 3.4Å
72W97.3Very high96.3Very high12 Ų1250.7 Ų50.75%0.04528%0.276CS..  trans-102.5-7.3-175.5-58.199.1000113.6L70 S74 L75 L77 I81 P110 F142 R143 I146 E194L70-W72 HydrophobicContact CB-CZ2 4.34Å; L70-W72 HydrophobicContact CD1-CZ2 3.82Å; W72-S74 VanDerWaalsContact C-N 3.27Å; W72-S74 PolarHBondContact O-N 2.58Å; W72-L75 HydrophobicContact CE3-CD1 3.7Å; W72-L75 HydrophobicContact CZ3-CD1 3.96Å; W72-L75 WeakPolarHBondContact O-CB 3.5Å; W72-L75 PolarHBondContact O-N 2.82Å; W72-L77 HydrophobicContact CB-CD1 4.46Å; W72-L77 HydrophobicContact CE3-CD1 4.39Å; W72-I81 HydrophobicContact CB-CD1 3.67Å; W72-I81 HydrophobicContact CB-CG1 3.89Å; W72-I81 HydrophobicContact CD2-CD1 4.32Å; W72-I81 HydrophobicContact CG-CD1 3.71Å; W72-I81 HydrophobicContact CG-CG1 3.84Å; W72-I81 HydrophobicContact CG-CG2 4.39Å; W72-P110 HydrophobicContact CH2-CB 3.81Å; W72-P110 HydrophobicContact CZ2-CB 3.26Å; W72-P110 HydrophobicContact CZ2-CG 3.81Å; W72-F142 AromaticContact CH2-CD1 3.99Å; W72-F142 HydrophobicContact CH2-CD1 3.99Å; W72-F142 AromaticContact CH2-CE1 3.63Å; W72-F142 HydrophobicContact CH2-CE1 3.63Å; W72-F142 HydrophobicContact CH2-CZ 4.26Å; W72-F142 AromaticContact CZ2-CE1 3.9Å; W72-F142 HydrophobicContact CZ2-CE1 3.9Å; W72-R143 HydrophobicContact CH2-CG 4.49Å; W72-R143 HydrophobicContact CZ3-CG 4.07Å; W72-I146 HydrophobicContact CE3-CG2 4.11Å; W72-I146 HydrophobicContact CH2-CB 4.13Å; W72-I146 HydrophobicContact CH2-CG1 3.74Å; W72-I146 HydrophobicContact CH2-CG2 4.2Å; W72-I146 HydrophobicContact CZ3-CB 3.76Å; W72-I146 HydrophobicContact CZ3-CG1 3.92Å; W72-I146 HydrophobicContact CZ3-CG2 3.7Å; W72-E194 PolarHBondContact NE1-O 2.93Å
73K96.9Very high96.4Very high167 Ų16750.5 Ų50.573%0.72627%0.274SS*.G310 helixtrans-60-38.7-173.5-69.5173.5-179.7141.80112D71 L75 H76D71-K73 IonicContact OD1-NZ 3.98Å; D71-K73 WeakPolarHBondContact OD2-CB 3.29Å; D71-K73 PolarHBondContact OD2-N 3.14Å; K73-L75 PolarHBondContact O-N 3.05Å; K73-H76 PolarHBondContact O-N 2.99Å
74S96.3Very high96.5Very high76 Ų7650.6 Ų50.653%0.53128%0.275SS..G310 helixtrans-64.4-18.4178.355.10000114.4W72 H76 R143W72-S74 VanDerWaalsContact C-N 3.27Å; W72-S74 PolarHBondContact O-N 2.58Å; S74-H76 VanDerWaalsContact C-N 3.34Å; S74-H76 PolarHBondContact O-CE1 3.12Å; S74-H76 PolarHBondContact O-ND1 2.8Å; S74-R143 PolarHBondContact OG-NH2 3.4Å
75L97.2Very high96.5Very high41 Ų4150 Ų5022%0.21527%0.274CS..G310 helixtrans-82.8-10.4173.9-63.8-172.7000113.4W72 K73 L77 R143W72-L75 HydrophobicContact CE3-CD1 3.7Å; W72-L75 HydrophobicContact CZ3-CD1 3.96Å; W72-L75 WeakPolarHBondContact O-CB 3.5Å; W72-L75 PolarHBondContact O-N 2.82Å; K73-L75 PolarHBondContact O-N 3.05Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 HydrophobicContact CB-CD1 4.38Å; L75-L77 HydrophobicContact CB-CD2 3.86Å; L75-L77 HydrophobicContact CB-CG 3.81Å; L75-L77 HydrophobicContact CD1-CD1 4.46Å; L75-L77 PolarHBondContact O-N 2.9Å; L75-R143 HydrophobicContact CD1-CB 4.02Å; L75-R143 HydrophobicContact CD1-CG 4.44Å
76H97.5Very high96.5Very high165 Ų16548 Ų4876%0.76427%0.265SS*.THydrogen-bonded Turntrans51.543.8179.5-5485.2000113K73 S74K73-H76 PolarHBondContact O-N 2.99Å; S74-H76 VanDerWaalsContact C-N 3.34Å; S74-H76 PolarHBondContact O-CE1 3.12Å; S74-H76 PolarHBondContact O-ND1 2.8Å
77L98Very high96.4Very high34 Ų3448.9 Ų48.918%0.17827%0.27CS..  trans-67.7139.2-179.1-57.8179.1000110.8W72 L75 G79 I81 Y108 I146 K147W72-L77 HydrophobicContact CB-CD1 4.46Å; W72-L77 HydrophobicContact CE3-CD1 4.39Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 HydrophobicContact CB-CD1 4.38Å; L75-L77 HydrophobicContact CB-CD2 3.86Å; L75-L77 HydrophobicContact CB-CG 3.81Å; L75-L77 HydrophobicContact CD1-CD1 4.46Å; L75-L77 PolarHBondContact O-N 2.9Å; L77-G79 VanDerWaalsContact C-N 3.34Å; L77-G79 PolarHBondContact O-N 2.92Å; L77-I81 HydrophobicContact CD1-CD1 3.75Å; L77-Y108 HydrophobicContact CB-CD2 4.05Å; L77-Y108 HydrophobicContact CB-CE1 4.44Å; L77-Y108 HydrophobicContact CB-CE2 3.74Å; L77-Y108 HydrophobicContact CD1-CD1 3.78Å; L77-Y108 HydrophobicContact CD1-CD2 4.11Å; L77-Y108 HydrophobicContact CD1-CE1 4.09Å; L77-Y108 HydrophobicContact CD1-CE2 4.42Å; L77-Y108 HydrophobicContact CD1-CG 3.79Å; L77-Y108 HydrophobicContact CD2-CD1 4.33Å; L77-Y108 HydrophobicContact CD2-CE1 3.8Å; L77-Y108 HydrophobicContact CG-CD1 4.49Å; L77-Y108 HydrophobicContact CG-CE1 4.32Å; L77-Y108 HydrophobicContact CG-CE2 4.45Å; L77-I146 HydrophobicContact CD1-CG2 4.29Å; L77-K147 HydrophobicContact CD2-CB 4.29Å; L77-K147 HydrophobicContact CD2-CG 4.17Å
78N97.4Very high96.4Very high157 Ų15748.1 Ų48.184%0.8426%0.262SS*.SBendtrans-96.555.7177.6-172.745.5000111.4
79G97.9Very high96.6Very high23 Ų2345.6 Ų45.624%0.23725%0.247CC..SBendtrans-179.5161.3-178.800000111.1L77L77-G79 VanDerWaalsContact C-N 3.34Å; L77-G79 PolarHBondContact O-N 2.92Å
80P98.7Very high96.8Very high16 Ų1642.9 Ų42.910%0.10423%0.231CC..  trans-74.3149.2-177.635.2-40000111.4V82 Y108 D197 G287 L289P80-V82 HydrophobicContact CB-CG1 3.83Å; P80-V82 HydrophobicContact CG-CG1 3.92Å; P80-Y108 PolarHBondContact O-N 2.84Å; P80-D197 WeakPolarHBondContact CA-OD2 3.17Å; P80-D197 HydrophobicContact CB-CB 4.42Å; P80-G287 VanDerWaalsContact CG-O 3.3Å; P80-G287 WeakPolarHBondContact CG-O 3.21Å; P80-L289 HydrophobicContact CG-CD1 3.76Å; P80-L289 HydrophobicContact CG-CD2 4.28Å; P80-L289 HydrophobicContact CG-CG 3.85Å
81I98.8Very high97.1Very high9 Ų941.8 Ų41.85%0.04623%0.225CC..BIsolated β-bridgetrans-85.5110.9167.3-44.8-55.1000107.9W72 L77 Y108 P110 L196 D197 A198W72-I81 HydrophobicContact CB-CD1 3.67Å; W72-I81 HydrophobicContact CB-CG1 3.89Å; W72-I81 HydrophobicContact CD2-CD1 4.32Å; W72-I81 HydrophobicContact CG-CD1 3.71Å; W72-I81 HydrophobicContact CG-CG1 3.84Å; W72-I81 HydrophobicContact CG-CG2 4.39Å; L77-I81 HydrophobicContact CD1-CD1 3.75Å; I81-Y108 CarbonylContact C-O 3.48Å; I81-Y108 WeakPolarHBondContact CA-O 3.24Å; I81-P110 HydrophobicContact CG2-CG 3.59Å; I81-L196 HydrophobicContact CG2-CD2 3.84Å; I81-D197 PolarHBondContact N-OD2 3.23Å; I81-D197 WeakPolarHBondContact O-CA 3.48Å; I81-D197 WeakPolarHBondContact O-CB 3.33Å; I81-D197 PolarHBondContact O-N 3.47Å; I81-A198 PolarHBondContact O-N 3.46Å
82V98.8Very high97.2Very high1 Ų138.9 Ų38.91%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-131.8144.9-174.4-60.10000111P80 V102 Y108 I109 A198 M283P80-V82 HydrophobicContact CB-CG1 3.83Å; P80-V82 HydrophobicContact CG-CG1 3.92Å; V82-V102 HydrophobicContact CG2-CG1 3.71Å; V82-Y108 PolarHBondContact N-O 2.93Å; V82-I109 HydrophobicContact CG2-CG1 4.12Å; V82-I109 VanDerWaalsContact O-CA 3.32Å; V82-I109 WeakPolarHBondContact O-CA 3.5Å; V82-I109 WeakPolarHBondContact O-CG1 3.37Å; V82-A198 WeakPolarHBondContact CA-O 3.33Å; V82-A198 HydrophobicContact CG1-CB 3.92Å; V82-M283 HydrophobicContact CB-CE 4.17Å; V82-M283 HydrophobicContact CG2-CE 3.75Å
83D98.6Very high97.3Very high0 Ų038.4 Ų38.40%021%0.208CC..EExtended strand (participates in β ladder)trans-143.2169.9173.9-162.625000112.8I109 M111 K191 E194 L196 A198 L199 V200D83-I109 WeakPolarHBondContact OD1-CG2 3.37Å; D83-M111 WeakPolarHBondContact OD1-CE 3.48Å; D83-K191 IonicContact OD2-NZ 2.58Å; D83-K191 PolarHBondContact OD2-NZ 3.5Å; D83-E194 VanDerWaalsContact OD2-OE2 3.12Å; D83-L196 HydrophobicContact CB-CD1 3.91Å; D83-L196 HydrophobicContact CB-CD2 3.91Å; D83-A198 PolarHBondContact N-O 2.92Å; D83-L199 WeakPolarHBondContact O-CA 3.36Å; D83-L199 WeakPolarHBondContact O-CD1 3.43Å; D83-V200 PolarHBondContact O-N 3.49Å
84K98.5Very high97.4Very high7 Ų730.4 Ų30.43%0.0317%0.173CC..EExtended strand (participates in β ladder)trans-120.8138.5171.8-177-90.7-62.9-168.20110.4T94 S95 L98 V200 D202 L279 M283K84-T94 PolarHBondContact NZ-OG1 3.39Å; K84-S95 VanDerWaalsContact CE-OG 3.24Å; K84-S95 WeakPolarHBondContact CE-OG 3.27Å; K84-S95 PolarHBondContact NZ-OG 2.85Å; K84-L98 HydrophobicContact CB-CD1 3.85Å; K84-L98 HydrophobicContact CB-CD2 4Å; K84-L98 HydrophobicContact CG-CD1 3.88Å; K84-V200 WeakPolarHBondContact CA-O 3.44Å; K84-V200 HydrophobicContact CB-CG1 3.74Å; K84-V200 HydrophobicContact CG-CG1 3.65Å; K84-D202 HydrophobicContact CD-CB 4.34Å; K84-L279 HydrophobicContact CD-CD1 4.49Å; K84-L279 HydrophobicContact CG-CD1 4.47Å; K84-L279 HydrophobicContact CG-CD2 4.41Å; K84-M283 HydrophobicContact CB-SD 4.1Å
85H96.9Very high97.5Very high38 Ų3827 Ų2718%0.17615%0.15CC..EExtended strand (participates in β ladder)trans-120.4151.9163.3-16266.1000111.8I187 K191 L199 V200 M201 D202H85-I187 WeakPolarHBondContact CD2-CG2 3.25Å; H85-K191 HydrophobicContact CB-CD 4.28Å; H85-K191 HydrophobicContact CB-CG 4.02Å; H85-K191 WeakPolarHBondContact ND1-CE 3.33Å; H85-L199 HydrophobicContact CB-CD1 4.49Å; H85-V200 PolarHBondContact N-O 2.84Å; H85-M201 HydrophobicContact CB-SD 3.76Å; H85-D202 WeakPolarHBondContact O-CB 3.21Å; H85-D202 PolarHBondContact O-N 3.22Å
86S96.3Very high97.6Very high16 Ų1625.1 Ų25.111%0.11214%0.139CC..EExtended strand (participates in β ladder)trans-129.8144.2178.21690000108.8G88 D92 D202 K204S86-G88 PolarHBondContact O-N 2.68Å; S86-G88 PolarHBondContact OG-N 2.95Å; S86-D92 WeakPolarHBondContact CB-OD2 3.32Å; S86-D92 PolarHBondContact OG-OD2 3.4Å; S86-D202 VanDerWaalsContact CA-O 3.3Å; S86-D202 WeakPolarHBondContact CA-O 3.36Å; S86-K204 WeakPolarHBondContact OG-CE 3.37Å
87T93.6Very high97.6Very high20 Ų2017.2 Ų17.212%0.12310%0.103CC..  trans-66.2-11170.3550000113M201 D202 V203 K204 L220T87-M201 HydrophobicContact CG2-CE 3.46Å; T87-M201 VanDerWaalsContact CG2-CE 3.46Å; T87-D202 PolarHBondContact N-O 2.77Å; T87-V203 HydrophobicContact CG2-CB 4.39Å; T87-V203 HydrophobicContact CG2-CG1 4.1Å; T87-V203 HydrophobicContact CG2-CG2 4.28Å; T87-K204 WeakPolarHBondContact OG1-CG 3.49Å; T87-K204 PolarHBondContact OG1-N 2.87Å; T87-K204 VanDerWaalsContact OG1-N 3.12Å; T87-L220 HydrophobicContact CG2-CD2 3.89Å
88G92.8Very high97.7Very high14 Ų1415.6 Ų15.614%0.14410%0.095CC..  trans95.4153.2-178.600000112.7S86 K204S86-G88 PolarHBondContact O-N 2.68Å; S86-G88 PolarHBondContact OG-N 2.95Å; G88-K204 WeakPolarHBondContact O-CG 3.26Å
89G95.3Very high97.7Very high1 Ų18.1 Ų8.11%0.016%0.055CC..  trans-165.4-168179.900000111.3G121G89-G121 PolarHBondContact O-N 3.44Å
90V98.1Very high97.8Very high6 Ų67 Ų74%0.0364%0.043CC..SBendtrans-111.1127.6177.3-176.20000108.7D92 V245 L246 A250 T356V90-D92 PolarHBondContact O-N 3.35Å; V90-V245 HydrophobicContact CG1-CG1 4.49Å; V90-V245 HydrophobicContact CG1-CG2 4.05Å; V90-L246 PolarHBondContact O-N 2.77Å; V90-L246 VanDerWaalsContact O-N 3.16Å; V90-A250 HydrophobicContact CG1-CB 3.65Å; V90-T356 HydrophobicContact CB-CG2 3.65Å; V90-T356 HydrophobicContact CG2-CG2 3.81Å; V90-T356 WeakPolarHBondContact CG2-O 3.39Å
91G98.3Very high97.8Very high1 Ų16.3 Ų6.31%0.014%0.039CC..SBendtrans67.819.2-168.800000113.8V93 A247 S249 E255G91-V93 VanDerWaalsContact C-N 3.26Å; G91-V93 PolarHBondContact O-N 2.89Å; G91-A247 WeakPolarHBondContact O-CB 3.26Å; G91-A247 PolarHBondContact O-N 3.38Å; G91-A247 VanDerWaalsContact O-N 3.08Å; G91-S249 VanDerWaalsContact CA-O 3.28Å; G91-S249 WeakPolarHBondContact CA-O 3.21Å; G91-E255 WeakPolarHBondContact CA-OE2 3.16Å
92D98.4Very high97.8Very high13 Ų135.9 Ų5.97%0.074%0.036CC..  trans-78.976.6174.2-173.513.7000110.2S86 V90 T94 K126 K204S86-D92 WeakPolarHBondContact CB-OD2 3.32Å; S86-D92 PolarHBondContact OG-OD2 3.4Å; V90-D92 PolarHBondContact O-N 3.35Å; D92-T94 VanDerWaalsContact OD1-CG2 3.27Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.24Å; D92-T94 PolarHBondContact OD1-OG1 3.16Å; D92-K126 PolarHBondContact O-NZ 3.03Å; D92-K204 IonicContact OD1-NZ 2.66Å; D92-K204 WeakPolarHBondContact OD2-CE 3.34Å; D92-K204 IonicContact OD2-NZ 2.9Å; D92-K204 PolarHBondContact OD2-NZ 2.86Å
93V98.6Very high97.8Very high1 Ų16.5 Ų6.51%0.0064%0.041CC..  trans-91.81.6179.973.40000113.1G91 S95 L96 M97 A247 E255 A259 L272G91-V93 VanDerWaalsContact C-N 3.26Å; G91-V93 PolarHBondContact O-N 2.89Å; V93-S95 PolarHBondContact O-N 2.87Å; V93-L96 HydrophobicContact CG2-CB 4.22Å; V93-L96 HydrophobicContact CG2-CD1 3.69Å; V93-L96 HydrophobicContact CG2-CG 3.9Å; V93-L96 PolarHBondContact O-N 3.04Å; V93-M97 HydrophobicContact CG1-CE 3.98Å; V93-M97 HydrophobicContact CG1-SD 4.07Å; V93-M97 HydrophobicContact CG2-SD 4.46Å; V93-A247 HydrophobicContact CG1-CB 4.04Å; V93-E255 HydrophobicContact CB-CB 4.27Å; V93-E255 WeakPolarHBondContact CB-OE2 3.32Å; V93-E255 HydrophobicContact CG2-CB 3.89Å; V93-E255 WeakPolarHBondContact CG2-O 3.32Å; V93-A259 HydrophobicContact CG2-CB 4.06Å; V93-L272 HydrophobicContact CG1-CD1 3.88Å; V93-L272 HydrophobicContact CG1-CD2 3.65Å; V93-L272 HydrophobicContact CG1-CG 4.41Å
94T98.8Very high97.8Very high0 Ų07.3 Ų7.30%05%0.048CC..Hα-helixtrans-44.7-42.4-172540000114.3K84 D92 L96 M97 L98 L246 L272 V275 L279K84-T94 PolarHBondContact NZ-OG1 3.39Å; D92-T94 VanDerWaalsContact OD1-CG2 3.27Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.24Å; D92-T94 PolarHBondContact OD1-OG1 3.16Å; T94-L96 PolarHBondContact O-N 3.02Å; T94-M97 PolarHBondContact O-N 3.3Å; T94-L98 WeakPolarHBondContact O-CB 3.24Å; T94-L98 PolarHBondContact O-N 2.86Å; T94-L246 HydrophobicContact CG2-CD2 3.67Å; T94-L272 HydrophobicContact CG2-CD1 3.89Å; T94-V275 HydrophobicContact CG2-CG1 4.15Å; T94-L279 HydrophobicContact CG2-CD1 4.41Å
95S98.7Very high97.8Very high5 Ų58 Ų84%0.0355%0.054CC..Hα-helixtrans-56.5-33.9-178.3-69.10000114K84 V93 M97 G99K84-S95 VanDerWaalsContact CE-OG 3.24Å; K84-S95 WeakPolarHBondContact CE-OG 3.27Å; K84-S95 PolarHBondContact NZ-OG 2.85Å; V93-S95 PolarHBondContact O-N 2.87Å; S95-M97 VanDerWaalsContact C-N 3.3Å; S95-M97 PolarHBondContact O-N 3.29Å; S95-G99 PolarHBondContact O-N 2.9Å
96L98.8Very high97.9Very high0 Ų07.7 Ų7.70%06%0.06CC..Hα-helixtrans-70.2-28.2-174.7-60.5-164.2000112.6V93 T94 P100 T123 L127 I153 V256 A259 F313V93-L96 HydrophobicContact CG2-CB 4.22Å; V93-L96 HydrophobicContact CG2-CD1 3.69Å; V93-L96 HydrophobicContact CG2-CG 3.9Å; V93-L96 PolarHBondContact O-N 3.04Å; T94-L96 PolarHBondContact O-N 3.02Å; L96-P100 VanDerWaalsContact O-CD 3.24Å; L96-P100 WeakPolarHBondContact O-CD 3.33Å; L96-P100 WeakPolarHBondContact O-CG 3.39Å; L96-T123 HydrophobicContact CD2-CG2 3.72Å; L96-L127 HydrophobicContact CD2-CD1 4.16Å; L96-L127 HydrophobicContact CD2-CD2 3.75Å; L96-L127 HydrophobicContact CD2-CG 3.88Å; L96-I153 HydrophobicContact CD2-CD1 3.97Å; L96-V256 HydrophobicContact CD1-CG2 4.01Å; L96-A259 HydrophobicContact CB-CB 3.63Å; L96-A259 HydrophobicContact CD1-CB 3.91Å; L96-A259 HydrophobicContact CG-CB 4.38Å; L96-F313 HydrophobicContact CB-CE2 4.3Å; L96-F313 WeakPolarHBondContact O-CD2 3.36Å
97M98.9Very high98Very high0 Ų07 Ų70%06%0.056CC..Hα-helixtrans-96.4-38.5175.3-5083.169.600111.5V93 T94 S95 G99 P100 M101 A259 F262 L263 L272 T276V93-M97 HydrophobicContact CG1-CE 3.98Å; V93-M97 HydrophobicContact CG1-SD 4.07Å; V93-M97 HydrophobicContact CG2-SD 4.46Å; T94-M97 PolarHBondContact O-N 3.3Å; S95-M97 VanDerWaalsContact C-N 3.3Å; S95-M97 PolarHBondContact O-N 3.29Å; M97-G99 PolarHBondContact O-N 3.43Å; M97-P100 WeakPolarHBondContact O-CD 3.45Å; M97-M101 HydrophobicContact CB-SD 4.07Å; M97-M101 WeakPolarHBondContact O-CB 3.31Å; M97-M101 WeakPolarHBondContact O-CG 3.12Å; M97-M101 PolarHBondContact O-N 3.38Å; M97-A259 HydrophobicContact CG-CB 4.19Å; M97-A259 HydrophobicContact SD-CB 3.64Å; M97-F262 HydrophobicContact CB-CD1 3.96Å; M97-F262 HydrophobicContact CB-CE1 4.17Å; M97-F262 HydrophobicContact CE-CD1 4.4Å; M97-F262 HydrophobicContact CE-CD2 4.24Å; M97-F262 HydrophobicContact CE-CE2 4.45Å; M97-F262 HydrophobicContact CE-CG 4.22Å; M97-F262 HydrophobicContact CG-CB 4.07Å; M97-F262 HydrophobicContact CG-CD1 3.6Å; M97-F262 HydrophobicContact CG-CE1 4.26Å; M97-F262 HydrophobicContact CG-CG 3.94Å; M97-L263 HydrophobicContact CB-CD2 3.93Å; M97-L263 HydrophobicContact CB-CG 4.14Å; M97-L263 HydrophobicContact CG-CD1 4.34Å; M97-L263 HydrophobicContact CG-CD2 4.27Å; M97-L263 HydrophobicContact CG-CG 3.91Å; M97-L272 HydrophobicContact CE-CD1 3.99Å; M97-L272 HydrophobicContact CE-CD2 3.83Å; M97-L272 HydrophobicContact CE-CG 3.91Å; M97-T276 HydrophobicContact CB-CG2 4.24Å; M97-T276 HydrophobicContact CE-CG2 4.22Å
98L98.9Very high98.3Very high0 Ų08.1 Ų8.10%06%0.058CC..Hα-helixtrans-58.6-46.5-177.9170.6157000112.5K84 T94 M101 V102 M111 T276 L279 M283K84-L98 HydrophobicContact CB-CD1 3.85Å; K84-L98 HydrophobicContact CB-CD2 4Å; K84-L98 HydrophobicContact CG-CD1 3.88Å; T94-L98 WeakPolarHBondContact O-CB 3.24Å; T94-L98 PolarHBondContact O-N 2.86Å; L98-M101 PolarHBondContact O-N 3.02Å; L98-V102 WeakPolarHBondContact O-CG2 3.44Å; L98-V102 PolarHBondContact O-N 3.44Å; L98-M111 HydrophobicContact CD2-CE 4.18Å; L98-T276 HydrophobicContact CB-CG2 4.48Å; L98-L279 HydrophobicContact CD1-CB 3.68Å; L98-L279 HydrophobicContact CD1-CD1 4.38Å; L98-M283 HydrophobicContact CD1-SD 3.79Å; L98-M283 HydrophobicContact CD2-CE 3.75Å; L98-M283 HydrophobicContact CD2-SD 3.44Å; L98-M283 WeakPolarHBondContact CD2-SD 3.27Å; L98-M283 HydrophobicContact CG-SD 3.74Å
99G98.7Very high98.6Very high0 Ų07.4 Ų7.40%05%0.051CC..Hα-helixtrans-55.8-58.3178.800000112S95 M97 M101 V102 A103 I109S95-G99 PolarHBondContact O-N 2.9Å; M97-G99 PolarHBondContact O-N 3.43Å; G99-M101 PolarHBondContact O-N 3.45Å; G99-V102 PolarHBondContact O-N 2.92Å; G99-A103 WeakPolarHBondContact O-CB 3.44Å; G99-A103 PolarHBondContact O-N 3.14Å; G99-I109 WeakPolarHBondContact O-CD1 3.28Å
100P98.9Very high98.7Very high0 Ų07.4 Ų7.40%05%0.051CC..Hα-helixtrans-58.5-39.5175.9-25.431.7000115.1L96 M97 A104 A309 V312 F313L96-P100 VanDerWaalsContact O-CD 3.24Å; L96-P100 WeakPolarHBondContact O-CD 3.33Å; L96-P100 WeakPolarHBondContact O-CG 3.39Å; M97-P100 WeakPolarHBondContact O-CD 3.45Å; P100-A104 VanDerWaalsContact O-CB 3.27Å; P100-A104 WeakPolarHBondContact O-CB 3.39Å; P100-A104 PolarHBondContact O-N 2.86Å; P100-A309 WeakPolarHBondContact CB-O 3.28Å; P100-V312 HydrophobicContact CB-CB 4.07Å; P100-V312 HydrophobicContact CB-CG1 3.99Å; P100-F313 HydrophobicContact CB-CB 4.08Å; P100-F313 HydrophobicContact CG-CB 3.68Å; P100-F313 HydrophobicContact CG-CD2 3.82Å; P100-F313 HydrophobicContact CG-CG 4.25Å
101M98.9Very high98.7Very high1 Ų17.2 Ų7.21%0.0055%0.05CC..Hα-helixtrans-61.9-47.7178.8-74.2166.762.900111.8M97 L98 G99 A104 C105 F262 L263 T276 M277 C280 L300 L304 A309M97-M101 HydrophobicContact CB-SD 4.07Å; M97-M101 WeakPolarHBondContact O-CB 3.31Å; M97-M101 WeakPolarHBondContact O-CG 3.12Å; M97-M101 PolarHBondContact O-N 3.38Å; L98-M101 PolarHBondContact O-N 3.02Å; G99-M101 PolarHBondContact O-N 3.45Å; M101-A104 PolarHBondContact O-N 3.47Å; M101-C105 PolarHBondContact O-N 2.87Å; M101-C105 PolarHBondContact O-SG 2.93Å; M101-F262 HydrophobicContact SD-CE1 4.23Å; M101-L263 HydrophobicContact CG-CD2 4.39Å; M101-T276 HydrophobicContact CE-CG2 4.39Å; M101-T276 HydrophobicContact SD-CG2 3.94Å; M101-M277 HydrophobicContact CE-CE 4.19Å; M101-C280 HydrophobicContact CE-CB 4.47Å; M101-L300 HydrophobicContact CB-CD2 4.04Å; M101-L300 HydrophobicContact CE-CB 4.27Å; M101-L300 HydrophobicContact CE-CD2 4.12Å; M101-L304 HydrophobicContact CE-CD1 3.83Å; M101-L304 HydrophobicContact CE-CD2 4.44Å; M101-L304 HydrophobicContact CE-CG 4.17Å; M101-L304 HydrophobicContact CG-CD2 3.95Å; M101-L304 HydrophobicContact CG-CG 4.3Å; M101-L304 HydrophobicContact SD-CD1 4.3Å; M101-L304 HydrophobicContact SD-CD2 3.91Å; M101-L304 HydrophobicContact SD-CG 4.29Å; M101-A309 HydrophobicContact CG-CB 3.97Å
102V98.9Very high98.4Very high0 Ų07.6 Ų7.60%05%0.051CC..Hα-helixtrans-71.8-37.61801790000111.4V82 L98 G99 A104 C105 G106 G107 I109 C280 M283 L284V82-V102 HydrophobicContact CG2-CG1 3.71Å; L98-V102 WeakPolarHBondContact O-CG2 3.44Å; L98-V102 PolarHBondContact O-N 3.44Å; G99-V102 PolarHBondContact O-N 2.92Å; V102-A104 PolarHBondContact O-N 3.29Å; V102-C105 CarbonylContact O-C 3.58Å; V102-C105 WeakPolarHBondContact O-CA 3.41Å; V102-C105 WeakPolarHBondContact O-CB 3.35Å; V102-C105 PolarHBondContact O-N 3.19Å; V102-G106 PolarHBondContact O-N 3Å; V102-G107 PolarHBondContact O-N 3.32Å; V102-I109 HydrophobicContact CB-CD1 3.98Å; V102-I109 HydrophobicContact CB-CG1 4.4Å; V102-I109 HydrophobicContact CG1-CD1 4Å; V102-I109 HydrophobicContact CG1-CG1 4.33Å; V102-C280 HydrophobicContact CG2-CB 4.05Å; V102-M283 HydrophobicContact CB-CE 4.26Å; V102-M283 HydrophobicContact CG1-CB 4.38Å; V102-M283 HydrophobicContact CG1-CE 4.12Å; V102-M283 HydrophobicContact CG2-CB 4.16Å; V102-M283 HydrophobicContact CG2-CE 4.03Å; V102-M283 HydrophobicContact CG2-SD 3.95Å; V102-L284 HydrophobicContact CG1-CD2 3.97Å; V102-L284 HydrophobicContact CG2-CD2 4.47Å
103A98.9Very high98.1Very high13 Ų137.9 Ų7.911%0.1075%0.054CC..Hα-helixtrans-61.4-42.6173.600000112.1G99 C105 G106 G107 I109 V151 V312G99-A103 WeakPolarHBondContact O-CB 3.44Å; G99-A103 PolarHBondContact O-N 3.14Å; A103-C105 PolarHBondContact O-N 3.19Å; A103-G106 PolarHBondContact O-N 2.89Å; A103-G107 WeakPolarHBondContact CA-O 3.4Å; A103-I109 HydrophobicContact CB-CD1 3.73Å; A103-V151 HydrophobicContact CB-CB 4.13Å; A103-V151 HydrophobicContact CB-CG1 4.01Å; A103-V312 HydrophobicContact CB-CG1 3.84Å
104A98.8Very high97.4Very high18 Ų189.7 Ų9.715%0.1497%0.073CC..Hα-helixtrans-63.1-21.3174.200000113.4P100 M101 V102 V303 K308 V312P100-A104 VanDerWaalsContact O-CB 3.27Å; P100-A104 WeakPolarHBondContact O-CB 3.39Å; P100-A104 PolarHBondContact O-N 2.86Å; M101-A104 PolarHBondContact O-N 3.47Å; V102-A104 PolarHBondContact O-N 3.29Å; A104-V303 HydrophobicContact CB-CB 3.85Å; A104-V303 HydrophobicContact CB-CG1 3.81Å; A104-V303 HydrophobicContact CB-CG2 4.18Å; A104-K308 HydrophobicContact CB-CB 4.24Å; A104-V312 HydrophobicContact CB-CG2 4.14Å
105C98.9Very high97Very high21 Ų2113.8 Ų13.814%0.1429%0.089CC..THydrogen-bonded Turntrans-92.91.4175.1-65.50000114M101 V102 A103 L284M101-C105 PolarHBondContact O-N 2.87Å; M101-C105 PolarHBondContact O-SG 2.93Å; V102-C105 CarbonylContact O-C 3.58Å; V102-C105 WeakPolarHBondContact O-CA 3.41Å; V102-C105 WeakPolarHBondContact O-CB 3.35Å; V102-C105 PolarHBondContact O-N 3.19Å; A103-C105 PolarHBondContact O-N 3.19Å; C105-L284 HydrophobicContact CB-CD1 4.18Å; C105-L284 HydrophobicContact CB-CD2 3.75Å
106G98.7Very high96.2Very high31 Ų3114.7 Ų14.732%0.3210%0.099SC..THydrogen-bonded Turntrans100.79.3174.400000115.8V102 A103V102-G106 PolarHBondContact O-N 3Å; A103-G106 PolarHBondContact O-N 2.89Å
107G98.8Very high95.2Very high1 Ų119 Ų191%0.0112%0.122CC..  trans-84.6159.7170.700000112.6V102 A103V102-G107 PolarHBondContact O-N 3.32Å; A103-G107 WeakPolarHBondContact CA-O 3.4Å
108Y98.9Very high94.4Very high44 Ų4421.6 Ų21.617%0.17315%0.149CC..BIsolated β-bridgetrans-116.1125171.7-67.2-89.6000109.7L77 P80 I81 V82 P110 I146 G150L77-Y108 HydrophobicContact CB-CD2 4.05Å; L77-Y108 HydrophobicContact CB-CE1 4.44Å; L77-Y108 HydrophobicContact CB-CE2 3.74Å; L77-Y108 HydrophobicContact CD1-CD1 3.78Å; L77-Y108 HydrophobicContact CD1-CD2 4.11Å; L77-Y108 HydrophobicContact CD1-CE1 4.09Å; L77-Y108 HydrophobicContact CD1-CE2 4.42Å; L77-Y108 HydrophobicContact CD1-CG 3.79Å; L77-Y108 HydrophobicContact CD2-CD1 4.33Å; L77-Y108 HydrophobicContact CD2-CE1 3.8Å; L77-Y108 HydrophobicContact CG-CD1 4.49Å; L77-Y108 HydrophobicContact CG-CE1 4.32Å; L77-Y108 HydrophobicContact CG-CE2 4.45Å; P80-Y108 PolarHBondContact O-N 2.84Å; I81-Y108 CarbonylContact C-O 3.48Å; I81-Y108 WeakPolarHBondContact CA-O 3.24Å; V82-Y108 PolarHBondContact N-O 2.93Å; Y108-P110 VanDerWaalsContact O-CD 3.3Å; Y108-P110 WeakPolarHBondContact O-CD 3.31Å; Y108-I146 HydrophobicContact CD1-CG2 3.85Å; Y108-I146 VanDerWaalsContact CD1-O 3.25Å; Y108-I146 WeakPolarHBondContact CD1-O 3.31Å; Y108-I146 WeakPolarHBondContact CE1-O 3.45Å; Y108-I146 HydrophobicContact CG-CG2 4.4Å; Y108-G150 CarbonylContact C-O 3.51Å; Y108-G150 VanDerWaalsContact CA-O 3.3Å; Y108-G150 WeakPolarHBondContact CA-O 3.41Å
109I98.8Very high93.9Very high0 Ų022.1 Ų22.10%015%0.151CC..EExtended strand (participates in β ladder)trans-12188.3-168.5-53.991.6000110.4V82 D83 G99 V102 A103 M111 I146 G150 V151 A152 M283V82-I109 HydrophobicContact CG2-CG1 4.12Å; V82-I109 VanDerWaalsContact O-CA 3.32Å; V82-I109 WeakPolarHBondContact O-CA 3.5Å; V82-I109 WeakPolarHBondContact O-CG1 3.37Å; D83-I109 WeakPolarHBondContact OD1-CG2 3.37Å; G99-I109 WeakPolarHBondContact O-CD1 3.28Å; V102-I109 HydrophobicContact CB-CD1 3.98Å; V102-I109 HydrophobicContact CB-CG1 4.4Å; V102-I109 HydrophobicContact CG1-CD1 4Å; V102-I109 HydrophobicContact CG1-CG1 4.33Å; A103-I109 HydrophobicContact CB-CD1 3.73Å; I109-M111 HydrophobicContact CG2-CB 4.05Å; I109-M111 HydrophobicContact CG2-CE 4.11Å; I109-M111 PolarHBondContact O-N 2.81Å; I109-I146 WeakPolarHBondContact O-CD1 3.47Å; I109-G150 PolarHBondContact N-O 2.82Å; I109-V151 HydrophobicContact CB-CB 4.17Å; I109-V151 HydrophobicContact CB-CG2 3.91Å; I109-V151 HydrophobicContact CD1-CB 4.34Å; I109-V151 HydrophobicContact CG2-CG2 4.23Å; I109-A152 PolarHBondContact O-N 2.89Å; I109-M283 HydrophobicContact CG1-CE 4.11Å
110P97.7Very high93.3Very high0 Ų023.3 Ų23.30%016%0.158CC..EExtended strand (participates in β ladder)trans-81.460.117636.2-37.4000112W72 I81 Y108 I112 F142 I146 E194 L196W72-P110 HydrophobicContact CH2-CB 3.81Å; W72-P110 HydrophobicContact CZ2-CB 3.26Å; W72-P110 HydrophobicContact CZ2-CG 3.81Å; I81-P110 HydrophobicContact CG2-CG 3.59Å; Y108-P110 VanDerWaalsContact O-CD 3.3Å; Y108-P110 WeakPolarHBondContact O-CD 3.31Å; P110-I112 PolarHBondContact O-N 3.16Å; P110-I112 VanDerWaalsContact O-N 3.09Å; P110-F142 HydrophobicContact CB-CE1 4.05Å; P110-F142 HydrophobicContact CB-CZ 3.59Å; P110-I146 HydrophobicContact CB-CD1 4.15Å; P110-I146 HydrophobicContact CB-CG1 4.33Å; P110-E194 HydrophobicContact CG-CB 4.3Å; P110-L196 HydrophobicContact CG-CD2 4.08Å
111M97.3Very high92.5Very high3 Ų325 Ų252%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-68.9109.9-169.1-174.1175-70.800111.9D83 L98 I109 A152 I153 I154D83-M111 WeakPolarHBondContact OD1-CE 3.48Å; L98-M111 HydrophobicContact CD2-CE 4.18Å; I109-M111 HydrophobicContact CG2-CB 4.05Å; I109-M111 HydrophobicContact CG2-CE 4.11Å; I109-M111 PolarHBondContact O-N 2.81Å; M111-A152 PolarHBondContact N-O 3.27Å; M111-A152 VanDerWaalsContact N-O 3.12Å; M111-I153 HydrophobicContact CB-CG1 4.17Å; M111-I153 HydrophobicContact CG-CG1 4.47Å; M111-I153 HydrophobicContact CG-CG2 4.35Å; M111-I153 WeakPolarHBondContact O-CA 3.16Å; M111-I153 HydrophobicContact SD-CD1 4.17Å; M111-I153 HydrophobicContact SD-CG1 4.04Å; M111-I153 HydrophobicContact SD-CG2 4.24Å; M111-I154 PolarHBondContact O-N 2.78Å
112I93Very high92.1Very high8 Ų825.2 Ų25.24%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-93.3110.2168.4-53.8-179.6000108.1L70 P110 I154 Q156 L160 K191 E194L70-I112 HydrophobicContact CD1-CD1 4.41Å; P110-I112 PolarHBondContact O-N 3.16Å; P110-I112 VanDerWaalsContact O-N 3.09Å; I112-I154 WeakPolarHBondContact CA-O 3.32Å; I112-I154 HydrophobicContact CG1-CD1 4.23Å; I112-I154 HydrophobicContact CG1-CG1 4.03Å; I112-Q156 HydrophobicContact CG2-CB 4.1Å; I112-L160 HydrophobicContact CD1-CD1 3.33Å; I112-L160 HydrophobicContact CD1-CD2 3.82Å; I112-L160 HydrophobicContact CD1-CG 4.17Å; I112-L160 HydrophobicContact CG2-CD2 4.48Å; I112-K191 PolarHBondContact O-NZ 2.8Å; I112-E194 HydrophobicContact CB-CG 4.33Å; I112-E194 VanDerWaalsContact CB-OE1 3.23Å; I112-E194 WeakPolarHBondContact CB-OE1 3.38Å; I112-E194 HydrophobicContact CD1-CG 3.69Å; I112-E194 HydrophobicContact CG1-CG 3.84Å; I112-E194 PolarHBondContact N-OE1 3.43Å
113S90.9Very high92Very high20 Ų2026.1 Ų26.114%0.1418%0.183CC..EExtended strand (participates in β ladder)trans-104.1169.2-177.1-171.80000112T123 L124 I154S113-T123 WeakPolarHBondContact OG-CB 3.25Å; S113-L124 WeakPolarHBondContact O-CD1 3.46Å; S113-I154 PolarHBondContact N-O 3.47Å
114G85.8Confident91.9Very high39 Ų3925.7 Ų25.740%0.40218%0.179SC..PPolyproline II helixtrans-103.3166.1169.600000113L124G114-L124 WeakPolarHBondContact O-CG 3.17Å
115R89Confident91.8Very high85 Ų8525 Ų2532%0.32117%0.173SC..PPolyproline II helixtrans-78.1170.6163-65.7-175.3174.8-76.13.8110.3L124 D125 E128R115-L124 HydrophobicContact CG-CB 4.36Å; R115-L124 HydrophobicContact CG-CD1 4.25Å; R115-D125 IonicContact CZ-OD1 2.62Å; R115-D125 IonicContact NH1-OD1 2.88Å; R115-D125 PolarHBondContact NH1-OD1 2.86Å; R115-E128 IonicContact CZ-OE1 3.62Å; R115-E128 IonicContact CZ-OE2 2.72Å; R115-E128 IonicContact NH1-OE1 2.71Å; R115-E128 IonicContact NH1-OE2 2.69Å; R115-E128 PolarHBondContact NH1-OE2 2.8Å; R115-E128 IonicContact NH2-OE1 3.91Å; R115-E128 PolarHBondContact NH2-OE1 3.41Å; R115-E128 IonicContact NH2-OE2 3.96Å; R115-E128 PolarHBondContact NH2-OE2 3.09Å
116G81.7Confident91.7Very high25 Ų2524 Ų2426%0.25817%0.167SC..PPolyproline II helixtrans-63.7143.4179.800000112.3T120 G122 D125G116-T120 WeakPolarHBondContact CA-O 3.35Å; G116-G122 VanDerWaalsContact N-CA 3.32Å; G116-D125 PolarHBondContact N-OD2 3.29Å
117L78.3Confident91.7Very high90 Ų9022.6 Ų22.647%0.47115%0.151SC..BIsolated β-bridgetrans-135.9128-178.6-79.1160.9000109.9H119 T120 Y168L117-H119 PolarHBondContact O-N 2.94Å; L117-T120 PolarHBondContact N-O 2.9Å; L117-T120 PolarHBondContact O-N 3.43Å; L117-T120 PolarHBondContact O-OG1 3.28Å; L117-Y168 HydrophobicContact CD2-CE1 4.15Å
118G82.6Confident91.7Very high55 Ų5524.9 Ų24.957%0.56716%0.162SC*.THydrogen-bonded Turntrans57.4-123.1-177.900000111.8V364G118-V364 WeakPolarHBondContact O-CG2 3.39Å
119H88.5Confident91.7Very high11 Ų1123 Ų235%0.05116%0.155CC..THydrogen-bonded Turntrans-85.6-7.6178.466.2-75.9000113.8L117 G208 R357 G360 M361L117-H119 PolarHBondContact O-N 2.94Å; H119-G208 PolarHBondContact NE2-O 3.1Å; H119-R357 HydrophobicContact CB-CG 4.01Å; H119-R357 PolarHBondContact CE1-NH1 2.91Å; H119-R357 PolarHBondContact ND1-NH1 3.07Å; H119-R357 VanDerWaalsContact ND1-NH1 3.15Å; H119-G360 VanDerWaalsContact O-CA 3.29Å; H119-G360 WeakPolarHBondContact O-CA 3.42Å; H119-M361 HydrophobicContact CB-CG 3.98Å; H119-M361 HydrophobicContact CB-SD 3.82Å
120T85.5Confident91.7Very high24 Ų2423 Ų2315%0.14716%0.156CC..BIsolated β-bridgetrans-91.4137.6-174.565.80000111.4G116 L117G116-T120 WeakPolarHBondContact CA-O 3.35Å; L117-T120 PolarHBondContact N-O 2.9Å; L117-T120 PolarHBondContact O-N 3.43Å; L117-T120 PolarHBondContact O-OG1 3.28Å
121G82.7Confident91.7Very high37 Ų3726 Ų2638%0.38117%0.174SC..PPolyproline II helixtrans-71.1150.5174.200000111.8G89G89-G121 PolarHBondContact O-N 3.44Å
122G91.3Very high91.8Very high4 Ų428.5 Ų28.54%0.04120%0.201CC..PPolyproline II helixtrans-103.4130.317700000112.5G116 L124 D125 K126G116-G122 VanDerWaalsContact N-CA 3.32Å; G122-L124 PolarHBondContact O-N 3.17Å; G122-D125 PolarHBondContact O-N 3.43Å; G122-D125 VanDerWaalsContact O-N 3.09Å; G122-K126 WeakPolarHBondContact O-CG 3.44Å; G122-K126 PolarHBondContact O-N 2.88Å; G122-K126 VanDerWaalsContact O-N 3.07Å
123T96.1Very high92.1Very high19 Ų1928.8 Ų28.812%0.11720%0.202CC..Hα-helixtrans-58-35.6178-47.70000112.6L96 S113 K126 L127 I153L96-T123 HydrophobicContact CD2-CG2 3.72Å; S113-T123 WeakPolarHBondContact OG-CB 3.25Å; T123-K126 WeakPolarHBondContact O-CB 3.14Å; T123-K126 PolarHBondContact O-N 3.33Å; T123-L127 HydrophobicContact CG2-CD1 4.31Å; T123-L127 WeakPolarHBondContact O-CG 3.14Å; T123-L127 PolarHBondContact O-N 3.24Å; T123-I153 HydrophobicContact CG2-CG2 4.17Å
124L96.2Very high92.4Very high4 Ų429.4 Ų29.42%0.02120%0.204CC..Hα-helixtrans-67.2-40.3177.3-60.6-178.8000112.2S113 G114 R115 G122 K126 L127 E128 I135 I153S113-L124 WeakPolarHBondContact O-CD1 3.46Å; G114-L124 WeakPolarHBondContact O-CG 3.17Å; R115-L124 HydrophobicContact CG-CB 4.36Å; R115-L124 HydrophobicContact CG-CD1 4.25Å; G122-L124 PolarHBondContact O-N 3.17Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3.2Å; L124-L127 PolarHBondContact O-N 2.99Å; L124-E128 WeakPolarHBondContact O-CG 3.35Å; L124-E128 PolarHBondContact O-N 3.24Å; L124-I135 HydrophobicContact CB-CD1 4.26Å; L124-I135 HydrophobicContact CD1-CD1 4.25Å; L124-I135 HydrophobicContact CD2-CB 4.31Å; L124-I135 HydrophobicContact CD2-CG2 4.07Å; L124-I153 HydrophobicContact CD2-CG2 4.11Å
125D96.3Very high92.9Very high3 Ų327.7 Ų27.72%0.01619%0.186CC..Hα-helixtrans-67-34.6178.3-60-43.3000110.9R115 G116 G122 R370 I377 Y379R115-D125 IonicContact CZ-OD1 2.62Å; R115-D125 IonicContact NH1-OD1 2.88Å; R115-D125 PolarHBondContact NH1-OD1 2.86Å; G116-D125 PolarHBondContact N-OD2 3.29Å; G122-D125 PolarHBondContact O-N 3.43Å; G122-D125 VanDerWaalsContact O-N 3.09Å; D125-R370 IonicContact OD1-CZ 3.72Å; D125-R370 IonicContact OD1-NH1 3.61Å; D125-R370 PolarHBondContact OD1-NH1 3.41Å; D125-R370 IonicContact OD1-NH2 2.66Å; D125-R370 PolarHBondContact OD1-NH2 3.25Å; D125-R370 IonicContact OD2-NH1 2.69Å; D125-R370 PolarHBondContact OD2-NH1 2.9Å; D125-I377 HydrophobicContact CB-CD1 3.89Å; D125-Y379 WeakPolarHBondContact O-CD1 3.49Å; D125-Y379 WeakPolarHBondContact O-CE1 3.48Å
126K98.5Very high93.3Very high2 Ų228.9 Ų28.91%0.00919%0.193CC..Hα-helixtrans-60.5-51.1170.4-61.2171.1-164.3-173.20110.4D92 G122 T123 L124 E128 S129 E255 V256D92-K126 PolarHBondContact O-NZ 3.03Å; G122-K126 WeakPolarHBondContact O-CG 3.44Å; G122-K126 PolarHBondContact O-N 2.88Å; G122-K126 VanDerWaalsContact O-N 3.07Å; T123-K126 WeakPolarHBondContact O-CB 3.14Å; T123-K126 PolarHBondContact O-N 3.33Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3.2Å; K126-E128 PolarHBondContact O-N 3.02Å; K126-S129 VanDerWaalsContact O-CB 3.24Å; K126-S129 WeakPolarHBondContact O-CB 3.48Å; K126-S129 PolarHBondContact O-N 3.43Å; K126-S129 VanDerWaalsContact O-N 3.12Å; K126-S129 PolarHBondContact O-OG 3.43Å; K126-E255 HydrophobicContact CD-CB 4.2Å; K126-E255 VanDerWaalsContact CE-OE2 3.27Å; K126-E255 WeakPolarHBondContact CE-OE2 3.24Å; K126-E255 IonicContact NZ-OE1 3.9Å; K126-E255 IonicContact NZ-OE2 2.94Å; K126-E255 PolarHBondContact NZ-OE2 3.27Å; K126-V256 HydrophobicContact CB-CG2 4.09Å; K126-V256 WeakPolarHBondContact O-CG2 3.48Å
127L98.7Very high93.9Very high0 Ų028.2 Ų28.20%019%0.185CC..Hα-helixtrans-65.8-34.4-178.1-74.1167.8000113.6L96 T123 L124 S129 I130 F133 I153L96-L127 HydrophobicContact CD2-CD1 4.16Å; L96-L127 HydrophobicContact CD2-CD2 3.75Å; L96-L127 HydrophobicContact CD2-CG 3.88Å; T123-L127 HydrophobicContact CG2-CD1 4.31Å; T123-L127 WeakPolarHBondContact O-CG 3.14Å; T123-L127 PolarHBondContact O-N 3.24Å; L124-L127 PolarHBondContact O-N 2.99Å; L127-S129 PolarHBondContact O-N 3.13Å; L127-S129 VanDerWaalsContact O-N 3.15Å; L127-I130 HydrophobicContact CD2-CD1 4.12Å; L127-I130 VanDerWaalsContact O-CB 3.28Å; L127-I130 WeakPolarHBondContact O-CB 3.3Å; L127-I130 WeakPolarHBondContact O-CG1 3.46Å; L127-I130 PolarHBondContact O-N 2.96Å; L127-F133 HydrophobicContact CB-CD1 4.01Å; L127-F133 HydrophobicContact CB-CE1 3.83Å; L127-F133 HydrophobicContact CB-CG 4.46Å; L127-F133 HydrophobicContact CB-CZ 4.09Å; L127-F133 HydrophobicContact CD1-CE1 3.99Å; L127-F133 HydrophobicContact CD1-CZ 3.85Å; L127-F133 HydrophobicContact CD2-CE1 4.36Å; L127-F133 HydrophobicContact CD2-CE2 3.85Å; L127-F133 HydrophobicContact CD2-CZ 3.75Å; L127-F133 HydrophobicContact CG-CE1 4.29Å; L127-F133 HydrophobicContact CG-CZ 4.11Å; L127-I153 HydrophobicContact CD1-CB 3.57Å; L127-I153 HydrophobicContact CD1-CD1 3.99Å; L127-I153 HydrophobicContact CD1-CG1 4.35Å; L127-I153 HydrophobicContact CD1-CG2 3.48Å; L127-I153 VanDerWaalsContact CD1-CG2 3.48Å
128E98.3Very high94.5Very high49 Ų4928.7 Ų28.723%0.22919%0.187CC..THydrogen-bonded Turntrans-66.6-9.9174.7-76.5-175.5149.900113.4R115 L124 K126 I130 I135 Y379R115-E128 IonicContact CZ-OE1 3.62Å; R115-E128 IonicContact CZ-OE2 2.72Å; R115-E128 IonicContact NH1-OE1 2.71Å; R115-E128 IonicContact NH1-OE2 2.69Å; R115-E128 PolarHBondContact NH1-OE2 2.8Å; R115-E128 IonicContact NH2-OE1 3.91Å; R115-E128 PolarHBondContact NH2-OE1 3.41Å; R115-E128 IonicContact NH2-OE2 3.96Å; R115-E128 PolarHBondContact NH2-OE2 3.09Å; L124-E128 WeakPolarHBondContact O-CG 3.35Å; L124-E128 PolarHBondContact O-N 3.24Å; K126-E128 PolarHBondContact O-N 3.02Å; E128-I130 PolarHBondContact O-N 3.41Å; E128-I135 HydrophobicContact CG-CD1 4.2Å; E128-I135 HydrophobicContact CG-CG1 4.44Å; E128-I135 HydrophobicContact CG-CG2 4.15Å; E128-I135 VanDerWaalsContact OE1-CD1 3.23Å; E128-I135 WeakPolarHBondContact OE1-CD1 3.49Å; E128-Y379 HydrophobicContact CB-CE1 4.03Å; E128-Y379 WeakPolarHBondContact CB-OH 3.48Å; E128-Y379 PolarHBondContact OE2-OH 3.38Å
129S98.6Very high94.8Very high5 Ų529.8 Ų29.84%0.03518%0.181CC..THydrogen-bonded Turntrans-69.5-16.9167.3750000113.4K126 L127 P131 A253 V256 P335K126-S129 VanDerWaalsContact O-CB 3.24Å; K126-S129 WeakPolarHBondContact O-CB 3.48Å; K126-S129 PolarHBondContact O-N 3.43Å; K126-S129 VanDerWaalsContact O-N 3.12Å; K126-S129 PolarHBondContact O-OG 3.43Å; L127-S129 PolarHBondContact O-N 3.13Å; L127-S129 VanDerWaalsContact O-N 3.15Å; S129-P131 WeakPolarHBondContact O-CD 3.46Å; S129-A253 WeakPolarHBondContact OG-CA 3.48Å; S129-V256 WeakPolarHBondContact OG-CG2 3.37Å; S129-P335 WeakPolarHBondContact O-CD 3.37Å
130I98.9Very high95Very high1 Ų134.9 Ų34.91%0.00521%0.208CC..SBendtrans-80.7120.2174.6-56.6176.5000108.2L127 E128 G132 F133 V256 V317 F326 L334L127-I130 HydrophobicContact CD2-CD1 4.12Å; L127-I130 VanDerWaalsContact O-CB 3.28Å; L127-I130 WeakPolarHBondContact O-CB 3.3Å; L127-I130 WeakPolarHBondContact O-CG1 3.46Å; L127-I130 PolarHBondContact O-N 2.96Å; E128-I130 PolarHBondContact O-N 3.41Å; I130-G132 PolarHBondContact O-N 3.28Å; I130-F133 HydrophobicContact CB-CB 3.89Å; I130-F133 HydrophobicContact CB-CD2 4.33Å; I130-F133 HydrophobicContact CB-CG 4.48Å; I130-F133 HydrophobicContact CD1-CD2 4.04Å; I130-F133 HydrophobicContact CD1-CE2 4.44Å; I130-F133 HydrophobicContact CG2-CB 4.2Å; I130-F133 HydrophobicContact CG2-CD2 4.41Å; I130-F133 WeakPolarHBondContact O-CB 3.2Å; I130-F133 PolarHBondContact O-N 3.45Å; I130-F133 VanDerWaalsContact O-N 3.09Å; I130-V256 HydrophobicContact CD1-CG1 3.96Å; I130-V256 HydrophobicContact CG1-CG1 3.98Å; I130-V317 HydrophobicContact CD1-CG1 4.5Å; I130-V317 HydrophobicContact CD1-CG2 3.97Å; I130-V317 HydrophobicContact CG2-CG1 3.92Å; I130-F326 HydrophobicContact CB-CE2 4.27Å; I130-F326 HydrophobicContact CB-CZ 4.45Å; I130-F326 HydrophobicContact CD1-CD1 4.42Å; I130-F326 HydrophobicContact CD1-CE1 3.84Å; I130-F326 HydrophobicContact CD1-CE2 4.4Å; I130-F326 HydrophobicContact CD1-CZ 3.84Å; I130-F326 HydrophobicContact CG1-CE1 4.15Å; I130-F326 HydrophobicContact CG1-CE2 3.91Å; I130-F326 HydrophobicContact CG1-CZ 3.61Å; I130-F326 HydrophobicContact CG2-CD2 3.84Å; I130-F326 HydrophobicContact CG2-CE2 3.74Å; I130-F326 HydrophobicContact CG2-CG 4.41Å; I130-F326 HydrophobicContact CG2-CZ 4.25Å; I130-L334 HydrophobicContact CG1-CD2 4.41Å
131P98.7Very high95.5Very high61 Ų6137.8 Ų37.840%0.39622%0.216SC..THydrogen-bonded Turntrans-56.4123.3-177.8-25.734.4000112.4S129 F133 Y333S129-P131 WeakPolarHBondContact O-CD 3.46Å; P131-F133 VanDerWaalsContact C-N 3.29Å; P131-F133 PolarHBondContact O-N 2.93Å; P131-Y333 HydrophobicContact CG-CD1 4.35Å; P131-Y333 WeakPolarHBondContact CG-O 3.17Å
132G98.3Very high96.2Very high56 Ų5636.2 Ų36.258%0.57720%0.199SC*.THydrogen-bonded Turntrans81-1.4177.100000115.5I130 D134 K321I130-G132 PolarHBondContact O-N 3.28Å; G132-D134 PolarHBondContact O-N 3.15Å; G132-K321 CarbonylContact O-C 3.53Å; G132-K321 WeakPolarHBondContact O-CB 3.46Å
133F98.7Very high96.4Very high15 Ų1538.3 Ų38.37%0.06621%0.206CC..  trans-61.5125.2178.8-167.1-76.1000111.3L127 I130 P131 I135 V317 Q320L127-F133 HydrophobicContact CB-CD1 4.01Å; L127-F133 HydrophobicContact CB-CE1 3.83Å; L127-F133 HydrophobicContact CB-CG 4.46Å; L127-F133 HydrophobicContact CB-CZ 4.09Å; L127-F133 HydrophobicContact CD1-CE1 3.99Å; L127-F133 HydrophobicContact CD1-CZ 3.85Å; L127-F133 HydrophobicContact CD2-CE1 4.36Å; L127-F133 HydrophobicContact CD2-CE2 3.85Å; L127-F133 HydrophobicContact CD2-CZ 3.75Å; L127-F133 HydrophobicContact CG-CE1 4.29Å; L127-F133 HydrophobicContact CG-CZ 4.11Å; I130-F133 HydrophobicContact CB-CB 3.89Å; I130-F133 HydrophobicContact CB-CD2 4.33Å; I130-F133 HydrophobicContact CB-CG 4.48Å; I130-F133 HydrophobicContact CD1-CD2 4.04Å; I130-F133 HydrophobicContact CD1-CE2 4.44Å; I130-F133 HydrophobicContact CG2-CB 4.2Å; I130-F133 HydrophobicContact CG2-CD2 4.41Å; I130-F133 WeakPolarHBondContact O-CB 3.2Å; I130-F133 PolarHBondContact O-N 3.45Å; I130-F133 VanDerWaalsContact O-N 3.09Å; P131-F133 VanDerWaalsContact C-N 3.29Å; P131-F133 PolarHBondContact O-N 2.93Å; F133-I135 HydrophobicContact CD1-CG2 3.75Å; F133-I135 HydrophobicContact CE1-CG2 3.76Å; F133-V317 HydrophobicContact CD2-CG1 4.42Å; F133-V317 HydrophobicContact CD2-CG2 4.47Å; F133-V317 HydrophobicContact CE2-CG2 4.19Å; F133-Q320 CarbonylContact C-O 3.36Å; F133-Q320 WeakPolarHBondContact CA-O 2.92Å; F133-Q320 HydrophobicContact CD2-CB 4.38Å; F133-Q320 HydrophobicContact CE1-CB 4.23Å; F133-Q320 HydrophobicContact CE2-CB 4.11Å; F133-Q320 HydrophobicContact CZ-CB 4.06Å; F133-Q320 HydrophobicContact CZ-CG 4.46Å
134D98.1Very high96.5Very high33 Ų3341.9 Ų41.918%0.17622%0.221CC..  trans-104.9104.6-175-174.74.4000110.8G132 F136 Q320 K321G132-D134 PolarHBondContact O-N 3.15Å; D134-F136 VanDerWaalsContact C-N 3.29Å; D134-F136 PolarHBondContact OD1-N 2.59Å; D134-Q320 PolarHBondContact N-O 3.27Å; D134-K321 HydrophobicContact CB-CB 4.3Å; D134-K321 HydrophobicContact CB-CD 3.89Å; D134-K321 HydrophobicContact CB-CG 4.25Å; D134-K321 WeakPolarHBondContact OD2-CE 3.21Å; D134-K321 IonicContact OD2-NZ 2.93Å; D134-K321 PolarHBondContact OD2-NZ 3.43Å
135I96.9Very high96.6Very high3 Ų341.8 Ų41.82%0.01522%0.22CC..SBendtrans-82.7-1.1176.261.2163.3000113.2L124 E128 F133 I154 G155L124-I135 HydrophobicContact CB-CD1 4.26Å; L124-I135 HydrophobicContact CD1-CD1 4.25Å; L124-I135 HydrophobicContact CD2-CB 4.31Å; L124-I135 HydrophobicContact CD2-CG2 4.07Å; E128-I135 HydrophobicContact CG-CD1 4.2Å; E128-I135 HydrophobicContact CG-CG1 4.44Å; E128-I135 HydrophobicContact CG-CG2 4.15Å; E128-I135 VanDerWaalsContact OE1-CD1 3.23Å; E128-I135 WeakPolarHBondContact OE1-CD1 3.49Å; F133-I135 HydrophobicContact CD1-CG2 3.75Å; F133-I135 HydrophobicContact CE1-CG2 3.76Å; I135-I154 WeakPolarHBondContact O-CA 3.16Å; I135-I154 WeakPolarHBondContact O-CB 3.3Å; I135-G155 PolarHBondContact O-N 3.12Å
136F95.9Very high96.7Very high109 Ų10941.6 Ų41.648%0.47822%0.22SC..  trans-129.355.6-179.7-62.1-65.2000112.5D134D134-F136 VanDerWaalsContact C-N 3.29Å; D134-F136 PolarHBondContact OD1-N 2.59Å
137P94.8Very high96.7Very high12 Ų1247.2 Ų47.28%0.07824%0.244CC..  trans-61.3150.7166.930.3-34.6000110R141 F142 I145 I154P137-R141 HydrophobicContact CB-CB 4.07Å; P137-R141 HydrophobicContact CB-CG 3.87Å; P137-F142 HydrophobicContact CG-CB 4.21Å; P137-I145 HydrophobicContact CB-CD1 4.41Å; P137-I145 HydrophobicContact CG-CD1 4.47Å; P137-I154 HydrophobicContact CG-CG2 3.63Å
138D91.7Very high96.7Very high99 Ų9951.6 Ų51.653%0.52927%0.267SS..  trans-66.316316966.670.6000111.5N140 R141 F142D138-N140 VanDerWaalsContact C-N 3.27Å; D138-N140 PolarHBondContact O-N 3.33Å; D138-N140 WeakPolarHBondContact OD1-CB 3.3Å; D138-N140 PolarHBondContact OD1-N 2.91Å; D138-R141 PolarHBondContact O-N 3.48Å; D138-R141 VanDerWaalsContact O-N 3.1Å; D138-R141 PolarHBondContact OD1-N 3.03Å; D138-F142 WeakPolarHBondContact O-CB 3.2Å; D138-F142 PolarHBondContact O-N 2.95Å
139D87.9Confident96.7Very high79 Ų7950.2 Ų50.242%0.42226%0.262SS..Hα-helixtrans-57-38-174.7-65.8-10.5000113.1R143D139-R143 WeakPolarHBondContact O-CG 3.17Å; D139-R143 PolarHBondContact O-N 2.88Å
140N93.3Very high96.8Very high117 Ų11750.2 Ų50.263%0.62626%0.263SS*.Hα-helixtrans-68.4-45.9178.9-72.2-20.2000110D138 F142 R143 E144D138-N140 VanDerWaalsContact C-N 3.27Å; D138-N140 PolarHBondContact O-N 3.33Å; D138-N140 WeakPolarHBondContact OD1-CB 3.3Å; D138-N140 PolarHBondContact OD1-N 2.91Å; N140-F142 VanDerWaalsContact C-N 3.33Å; N140-F142 PolarHBondContact O-N 2.62Å; N140-R143 WeakPolarHBondContact O-CB 3.44Å; N140-R143 PolarHBondContact O-N 3.35Å; N140-E144 WeakPolarHBondContact O-CG 3.5Å; N140-E144 PolarHBondContact O-N 3.5Å
141R96.3Very high96.8Very high85 Ų8550.2 Ų50.232%0.32126%0.263SS..Hα-helixtrans-63.2-40.6177.3-178.557-174.8165.44.4111.9P137 D138 R143 E144 I145 A319P137-R141 HydrophobicContact CB-CB 4.07Å; P137-R141 HydrophobicContact CB-CG 3.87Å; D138-R141 PolarHBondContact O-N 3.48Å; D138-R141 VanDerWaalsContact O-N 3.1Å; D138-R141 PolarHBondContact OD1-N 3.03Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R141-R143 PolarHBondContact O-N 3.05Å; R141-E144 WeakPolarHBondContact CD-OE2 3.28Å; R141-E144 IonicContact CZ-OE2 3.21Å; R141-E144 IonicContact NH1-OE2 2.77Å; R141-E144 PolarHBondContact NH1-OE2 3.18Å; R141-E144 WeakPolarHBondContact O-CB 3.42Å; R141-E144 PolarHBondContact O-N 3.2Å; R141-I145 HydrophobicContact CG-CD1 4.07Å; R141-I145 VanDerWaalsContact O-CG1 3.24Å; R141-I145 WeakPolarHBondContact O-CG1 3.45Å; R141-I145 PolarHBondContact O-N 3.12Å; R141-A319 PolarHBondContact NH2-O 3.36Å
142F95.9Very high96.7Very high4 Ų447.3 Ų47.32%0.01824%0.244CC..Hα-helixtrans-58.8-45.4174.8179-127000111.3L70 W72 P110 P137 D138 N140 E144 I145 I146 A152 I154L70-F142 HydrophobicContact CD1-CD1 4.46Å; L70-F142 HydrophobicContact CD1-CE1 3.77Å; W72-F142 AromaticContact CH2-CD1 3.99Å; W72-F142 HydrophobicContact CH2-CD1 3.99Å; W72-F142 AromaticContact CH2-CE1 3.63Å; W72-F142 HydrophobicContact CH2-CE1 3.63Å; W72-F142 HydrophobicContact CH2-CZ 4.26Å; W72-F142 AromaticContact CZ2-CE1 3.9Å; W72-F142 HydrophobicContact CZ2-CE1 3.9Å; P110-F142 HydrophobicContact CB-CE1 4.05Å; P110-F142 HydrophobicContact CB-CZ 3.59Å; P137-F142 HydrophobicContact CG-CB 4.21Å; D138-F142 WeakPolarHBondContact O-CB 3.2Å; D138-F142 PolarHBondContact O-N 2.95Å; N140-F142 VanDerWaalsContact C-N 3.33Å; N140-F142 PolarHBondContact O-N 2.62Å; F142-E144 PolarHBondContact O-N 2.97Å; F142-I145 PolarHBondContact O-N 3.16Å; F142-I146 HydrophobicContact CD2-CG1 4.34Å; F142-I146 HydrophobicContact CE2-CD1 4.14Å; F142-I146 HydrophobicContact CE2-CG1 4.06Å; F142-I146 HydrophobicContact CZ-CD1 4.43Å; F142-I146 HydrophobicContact CZ-CG1 4.24Å; F142-I146 WeakPolarHBondContact O-CG1 3.44Å; F142-I146 PolarHBondContact O-N 3.3Å; F142-A152 HydrophobicContact CD2-CB 3.87Å; F142-A152 HydrophobicContact CE2-CB 3.65Å; F142-I154 HydrophobicContact CD1-CD1 3.97Å; F142-I154 HydrophobicContact CD2-CD1 3.72Å; F142-I154 HydrophobicContact CD2-CG1 4.23Å; F142-I154 HydrophobicContact CD2-CG2 3.77Å; F142-I154 HydrophobicContact CE1-CD1 3.85Å; F142-I154 HydrophobicContact CE2-CB 4.45Å; F142-I154 HydrophobicContact CE2-CD1 3.58Å; F142-I154 HydrophobicContact CE2-CG1 3.77Å; F142-I154 HydrophobicContact CE2-CG2 3.84Å; F142-I154 HydrophobicContact CG-CD1 3.9Å; F142-I154 HydrophobicContact CZ-CD1 3.65Å; F142-I154 HydrophobicContact CZ-CG1 4.03Å
143R96.2Very high96.7Very high49 Ų4944.6 Ų44.619%0.18522%0.217CC..Hα-helixtrans-62.8-39.9176.5-69.5171.58274.6-0.8113D71 W72 S74 L75 D139 N140 R141 K147D71-R143 PolarHBondContact O-NH1 2.82Å; D71-R143 PolarHBondContact O-NH2 3.4Å; W72-R143 HydrophobicContact CH2-CG 4.49Å; W72-R143 HydrophobicContact CZ3-CG 4.07Å; S74-R143 PolarHBondContact OG-NH2 3.4Å; L75-R143 HydrophobicContact CD1-CB 4.02Å; L75-R143 HydrophobicContact CD1-CG 4.44Å; D139-R143 WeakPolarHBondContact O-CG 3.17Å; D139-R143 PolarHBondContact O-N 2.88Å; N140-R143 WeakPolarHBondContact O-CB 3.44Å; N140-R143 PolarHBondContact O-N 3.35Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R141-R143 PolarHBondContact O-N 3.05Å; R143-K147 WeakPolarHBondContact O-CB 3.28Å; R143-K147 PolarHBondContact O-N 2.87Å
144E98.3Very high96.6Very high94 Ų9444.2 Ų44.244%0.43922%0.215SC..Hα-helixtrans-59.2-48.4173-72.7174.1-179.500111.2N140 R141 F142 I146 K147 D148N140-E144 WeakPolarHBondContact O-CG 3.5Å; N140-E144 PolarHBondContact O-N 3.5Å; R141-E144 WeakPolarHBondContact CD-OE2 3.28Å; R141-E144 IonicContact CZ-OE2 3.21Å; R141-E144 IonicContact NH1-OE2 2.77Å; R141-E144 PolarHBondContact NH1-OE2 3.18Å; R141-E144 WeakPolarHBondContact O-CB 3.42Å; R141-E144 PolarHBondContact O-N 3.2Å; F142-E144 PolarHBondContact O-N 2.97Å; E144-I146 PolarHBondContact O-N 3.42Å; E144-K147 PolarHBondContact O-N 2.82Å; E144-D148 WeakPolarHBondContact O-CB 3.27Å; E144-D148 PolarHBondContact O-N 2.97Å
145I98.6Very high96.2Very high1 Ų142.7 Ų42.71%0.00521%0.207CC..Hα-helixtrans-61.6-45.3-178.9-60.4160.1000110.7P137 R141 F142 K147 D148 V149 A152 A319 Q320P137-I145 HydrophobicContact CB-CD1 4.41Å; P137-I145 HydrophobicContact CG-CD1 4.47Å; R141-I145 HydrophobicContact CG-CD1 4.07Å; R141-I145 VanDerWaalsContact O-CG1 3.24Å; R141-I145 WeakPolarHBondContact O-CG1 3.45Å; R141-I145 PolarHBondContact O-N 3.12Å; F142-I145 PolarHBondContact O-N 3.16Å; I145-K147 VanDerWaalsContact C-N 3.33Å; I145-K147 PolarHBondContact O-N 2.92Å; I145-D148 PolarHBondContact O-N 2.99Å; I145-V149 HydrophobicContact CG2-CB 4.31Å; I145-V149 HydrophobicContact CG2-CG2 4.16Å; I145-V149 WeakPolarHBondContact O-CA 3.46Å; I145-V149 VanDerWaalsContact O-CB 3.31Å; I145-V149 WeakPolarHBondContact O-CB 3.13Å; I145-V149 PolarHBondContact O-N 2.94Å; I145-A152 HydrophobicContact CB-CB 4.33Å; I145-A152 HydrophobicContact CG2-CB 3.77Å; I145-A319 HydrophobicContact CG1-CB 4.07Å; I145-A319 HydrophobicContact CG2-CB 3.95Å; I145-Q320 HydrophobicContact CD1-CG 3.85Å
146I98.6Very high95.6Very high0 Ų045.8 Ų45.80%022%0.222CC..Hα-helixtrans-60.3-44.3177.1-64.9-59.2000111W72 L77 Y108 I109 P110 F142 E144 G150 A152W72-I146 HydrophobicContact CE3-CG2 4.11Å; W72-I146 HydrophobicContact CH2-CB 4.13Å; W72-I146 HydrophobicContact CH2-CG1 3.74Å; W72-I146 HydrophobicContact CH2-CG2 4.2Å; W72-I146 HydrophobicContact CZ3-CB 3.76Å; W72-I146 HydrophobicContact CZ3-CG1 3.92Å; W72-I146 HydrophobicContact CZ3-CG2 3.7Å; L77-I146 HydrophobicContact CD1-CG2 4.29Å; Y108-I146 HydrophobicContact CD1-CG2 3.85Å; Y108-I146 VanDerWaalsContact CD1-O 3.25Å; Y108-I146 WeakPolarHBondContact CD1-O 3.31Å; Y108-I146 WeakPolarHBondContact CE1-O 3.45Å; Y108-I146 HydrophobicContact CG-CG2 4.4Å; I109-I146 WeakPolarHBondContact O-CD1 3.47Å; P110-I146 HydrophobicContact CB-CD1 4.15Å; P110-I146 HydrophobicContact CB-CG1 4.33Å; F142-I146 HydrophobicContact CD2-CG1 4.34Å; F142-I146 HydrophobicContact CE2-CD1 4.14Å; F142-I146 HydrophobicContact CE2-CG1 4.06Å; F142-I146 HydrophobicContact CZ-CD1 4.43Å; F142-I146 HydrophobicContact CZ-CG1 4.24Å; F142-I146 WeakPolarHBondContact O-CG1 3.44Å; F142-I146 PolarHBondContact O-N 3.3Å; E144-I146 PolarHBondContact O-N 3.42Å; I146-G150 WeakPolarHBondContact O-CA 3.13Å; I146-G150 PolarHBondContact O-N 3Å; I146-A152 HydrophobicContact CD1-CB 3.86Å
147K98.6Very high94.7Very high119 Ų11942.1 Ų42.152%0.51721%0.208SC..Hα-helixtrans-63.5-43.4178-177.6-173.6170.9-167.90112.8L77 R143 E144 I145L77-K147 HydrophobicContact CD2-CB 4.29Å; L77-K147 HydrophobicContact CD2-CG 4.17Å; R143-K147 WeakPolarHBondContact O-CB 3.28Å; R143-K147 PolarHBondContact O-N 2.87Å; E144-K147 PolarHBondContact O-N 2.82Å; I145-K147 VanDerWaalsContact C-N 3.33Å; I145-K147 PolarHBondContact O-N 2.92Å
148D98.6Very high93.8Very high92 Ų9246.9 Ų46.949%0.49224%0.242SC..Hα-helixtrans-89.7-26.7-168.9-66.3-15.5000113.4E144 I145 R315E144-D148 WeakPolarHBondContact O-CB 3.27Å; E144-D148 PolarHBondContact O-N 2.97Å; I145-D148 PolarHBondContact O-N 2.99Å; D148-R315 PolarHBondContact O-NH2 2.66Å
149V98.8Very high93.3Very high20 Ų2044 Ų4412%0.12123%0.23CC..Hα-helixtrans-114.2-31.1-176.5-1750000112.2I145 V151 V312 R315 M316 A319I145-V149 HydrophobicContact CG2-CB 4.31Å; I145-V149 HydrophobicContact CG2-CG2 4.16Å; I145-V149 WeakPolarHBondContact O-CA 3.46Å; I145-V149 VanDerWaalsContact O-CB 3.31Å; I145-V149 WeakPolarHBondContact O-CB 3.13Å; I145-V149 PolarHBondContact O-N 2.94Å; V149-V151 HydrophobicContact CG1-CG1 4.29Å; V149-V312 HydrophobicContact CG1-CG1 4.16Å; V149-R315 HydrophobicContact CG1-CB 3.93Å; V149-R315 HydrophobicContact CG2-CB 4.3Å; V149-M316 HydrophobicContact CG1-CB 4.05Å; V149-A319 HydrophobicContact CG2-CB 3.94Å
150G98.8Very high93.1Very high6 Ų640.4 Ų40.46%0.06221%0.21CC..SBendtrans92.2-14.4-174.700000114.1Y108 I109 I146Y108-G150 CarbonylContact C-O 3.51Å; Y108-G150 VanDerWaalsContact CA-O 3.3Å; Y108-G150 WeakPolarHBondContact CA-O 3.41Å; I109-G150 PolarHBondContact N-O 2.82Å; I146-G150 WeakPolarHBondContact O-CA 3.13Å; I146-G150 PolarHBondContact O-N 3Å
151V98.9Very high92.8Very high0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-150143.2-179.157.90000111.9A103 I109 V149 V312 M316A103-V151 HydrophobicContact CB-CB 4.13Å; A103-V151 HydrophobicContact CB-CG1 4.01Å; I109-V151 HydrophobicContact CB-CB 4.17Å; I109-V151 HydrophobicContact CB-CG2 3.91Å; I109-V151 HydrophobicContact CD1-CB 4.34Å; I109-V151 HydrophobicContact CG2-CG2 4.23Å; V149-V151 HydrophobicContact CG1-CG1 4.29Å; V151-V312 HydrophobicContact CG1-CG1 3.73Å; V151-M316 HydrophobicContact CB-SD 4.5Å; V151-M316 HydrophobicContact CG1-CB 4.23Å; V151-M316 HydrophobicContact CG1-CG 4.27Å; V151-M316 HydrophobicContact CG1-SD 3.93Å; V151-M316 HydrophobicContact CG2-SD 3.91Å
152A98.5Very high92.6Very high0 Ų032.3 Ų32.30%018%0.175CC..EExtended strand (participates in β ladder)trans-145151.7165.800000109I109 M111 F142 I145 I146 I154I109-A152 PolarHBondContact O-N 2.89Å; M111-A152 PolarHBondContact N-O 3.27Å; M111-A152 VanDerWaalsContact N-O 3.12Å; F142-A152 HydrophobicContact CD2-CB 3.87Å; F142-A152 HydrophobicContact CE2-CB 3.65Å; I145-A152 HydrophobicContact CB-CB 4.33Å; I145-A152 HydrophobicContact CG2-CB 3.77Å; I146-A152 HydrophobicContact CD1-CB 3.86Å; A152-I154 HydrophobicContact CB-CG2 4.41Å
153I98.2Very high92.6Very high0 Ų032.1 Ų32.10%017%0.174CC..EExtended strand (participates in β ladder)trans-125.7104.6178.7-55.9175.1000107.5L96 M111 T123 L124 L127 M316 Q320L96-I153 HydrophobicContact CD2-CD1 3.97Å; M111-I153 HydrophobicContact CB-CG1 4.17Å; M111-I153 HydrophobicContact CG-CG1 4.47Å; M111-I153 HydrophobicContact CG-CG2 4.35Å; M111-I153 WeakPolarHBondContact O-CA 3.16Å; M111-I153 HydrophobicContact SD-CD1 4.17Å; M111-I153 HydrophobicContact SD-CG1 4.04Å; M111-I153 HydrophobicContact SD-CG2 4.24Å; T123-I153 HydrophobicContact CG2-CG2 4.17Å; L124-I153 HydrophobicContact CD2-CG2 4.11Å; L127-I153 HydrophobicContact CD1-CB 3.57Å; L127-I153 HydrophobicContact CD1-CD1 3.99Å; L127-I153 HydrophobicContact CD1-CG1 4.35Å; L127-I153 HydrophobicContact CD1-CG2 3.48Å; L127-I153 VanDerWaalsContact CD1-CG2 3.48Å; I153-M316 HydrophobicContact CD1-CE 4.24Å; I153-M316 HydrophobicContact CD1-SD 4.2Å; I153-M316 HydrophobicContact CG1-SD 4.09Å; I153-Q320 PolarHBondContact O-OE1 3.41Å
154I95.7Very high92.5Very high7 Ų730 Ų304%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-120.9162.4-171.465.8163.5000111.8M111 I112 S113 I135 P137 F142 A152M111-I154 PolarHBondContact O-N 2.78Å; I112-I154 WeakPolarHBondContact CA-O 3.32Å; I112-I154 HydrophobicContact CG1-CD1 4.23Å; I112-I154 HydrophobicContact CG1-CG1 4.03Å; S113-I154 PolarHBondContact N-O 3.47Å; I135-I154 WeakPolarHBondContact O-CA 3.16Å; I135-I154 WeakPolarHBondContact O-CB 3.3Å; P137-I154 HydrophobicContact CG-CG2 3.63Å; F142-I154 HydrophobicContact CD1-CD1 3.97Å; F142-I154 HydrophobicContact CD2-CD1 3.72Å; F142-I154 HydrophobicContact CD2-CG1 4.23Å; F142-I154 HydrophobicContact CD2-CG2 3.77Å; F142-I154 HydrophobicContact CE1-CD1 3.85Å; F142-I154 HydrophobicContact CE2-CB 4.45Å; F142-I154 HydrophobicContact CE2-CD1 3.58Å; F142-I154 HydrophobicContact CE2-CG1 3.77Å; F142-I154 HydrophobicContact CE2-CG2 3.84Å; F142-I154 HydrophobicContact CG-CD1 3.9Å; F142-I154 HydrophobicContact CZ-CD1 3.65Å; F142-I154 HydrophobicContact CZ-CG1 4.03Å; A152-I154 HydrophobicContact CB-CG2 4.41Å
155G90.7Very high92.1Very high1 Ų132.7 Ų32.71%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-76.4157.7170.700000113I135 T157I135-G155 PolarHBondContact O-N 3.12Å; G155-T157 PolarHBondContact O-N 2.99Å
156Q82.5Confident91.8Very high67 Ų6735.8 Ų35.831%0.31319%0.189SC..PPolyproline II helixtrans-61.3118171.2-174-178.1-6.600110I112 L160I112-Q156 HydrophobicContact CG2-CB 4.1Å; Q156-L160 HydrophobicContact CG-CB 4.25Å; Q156-L160 HydrophobicContact CG-CD2 4.38Å; Q156-L160 PolarHBondContact NE2-O 2.93Å
157T77.5Confident91.7Very high33 Ų3336 Ų3620%0.20219%0.189CC..PPolyproline II helixtrans-70.4157.6172.462.80000110.2G155 S159 L160G155-T157 PolarHBondContact O-N 2.99Å; T157-S159 PolarHBondContact O-N 2.89Å; T157-S159 VanDerWaalsContact O-N 3.07Å; T157-S159 PolarHBondContact OG1-OG 3.11Å; T157-L160 PolarHBondContact O-N 3.18Å
158S76Confident91.5Very high111 Ų11133 Ų3378%0.77618%0.175SC*.THydrogen-bonded Turntrans-62.3-16.9179.155.70000113.6
159S80.8Confident91.1Very high40 Ų4031.1 Ų31.128%0.2817%0.172SC..THydrogen-bonded Turntrans-91.6-13.5-178.963.40000113.6G67 T68 T157G67-S159 CarbonylContact C-O 3.35Å; G67-S159 WeakPolarHBondContact CA-O 3.25Å; T68-S159 PolarHBondContact N-O 3.39Å; T68-S159 WeakPolarHBondContact OG1-CB 3.49Å; T68-S159 PolarHBondContact OG1-OG 2.93Å; T157-S159 PolarHBondContact O-N 2.89Å; T157-S159 VanDerWaalsContact O-N 3.07Å; T157-S159 PolarHBondContact OG1-OG 3.11Å
160L84.1Confident90.9Very high2 Ų230.4 Ų30.41%0.0117%0.168CC..SBendtrans-93119.1-174.2-158.2121.5000111.3L70 I112 Q156 T157 K190 A193L70-L160 HydrophobicContact CG-CD1 4.5Å; I112-L160 HydrophobicContact CD1-CD1 3.33Å; I112-L160 HydrophobicContact CD1-CD2 3.82Å; I112-L160 HydrophobicContact CD1-CG 4.17Å; I112-L160 HydrophobicContact CG2-CD2 4.48Å; Q156-L160 HydrophobicContact CG-CB 4.25Å; Q156-L160 HydrophobicContact CG-CD2 4.38Å; Q156-L160 PolarHBondContact NE2-O 2.93Å; T157-L160 PolarHBondContact O-N 3.18Å; L160-K190 HydrophobicContact CD2-CB 4.21Å; L160-K190 HydrophobicContact CD2-CG 4.49Å; L160-A193 HydrophobicContact CD1-CB 3.99Å; L160-A193 HydrophobicContact CD2-CB 3.94Å; L160-A193 HydrophobicContact CG-CB 3.73Å
161A88.1Confident90.7Very high0 Ų030.3 Ų30.30%017%0.166CC..SBendtrans42.351.6-175.600000114.8A163 D164 A189 K190A161-A163 PolarHBondContact O-N 3.37Å; A161-A163 VanDerWaalsContact O-N 3.11Å; A161-D164 HydrophobicContact CB-CB 4.38Å; A161-D164 WeakPolarHBondContact O-CB 3.39Å; A161-D164 PolarHBondContact O-N 2.88Å; A161-A189 HydrophobicContact CB-CB 4.06Å; A161-K190 HydrophobicContact CB-CG 4.26Å
162P91.6Very high90.2Very high32 Ų3234.8 Ų34.821%0.20819%0.19CC..Hα-helixtrans-60.1-26.4-172.425.7-36.7000114R30 S66 D164 K165R30-P162 HydrophobicContact CG-CB 4.34Å; R30-P162 HydrophobicContact CG-CG 3.93Å; S66-P162 WeakPolarHBondContact O-CG 3.2Å; S66-P162 VanDerWaalsContact OG-CD 3.31Å; S66-P162 WeakPolarHBondContact OG-CD 3.28Å; P162-D164 VanDerWaalsContact C-N 3.28Å; P162-D164 PolarHBondContact O-N 2.86Å; P162-K165 WeakPolarHBondContact O-CB 3.42Å; P162-K165 PolarHBondContact O-N 3.2Å
163A95Very high89.8Confident0 Ų040.4 Ų40.40%022%0.219CC..Hα-helixtrans-62.4-36.6174.400000112.3I26 I29 R30 S66 A161 K165 R166 F167I26-A163 HydrophobicContact CG2-CB 3.59Å; I29-A163 HydrophobicContact CG2-CB 4.49Å; I29-A163 WeakPolarHBondContact CG2-O 2.92Å; R30-A163 HydrophobicContact CB-CB 4.22Å; S66-A163 WeakPolarHBondContact OG-CB 3.45Å; S66-A163 PolarHBondContact OG-N 3.21Å; S66-A163 VanDerWaalsContact OG-N 3.16Å; A161-A163 PolarHBondContact O-N 3.37Å; A161-A163 VanDerWaalsContact O-N 3.11Å; A163-K165 PolarHBondContact O-N 3.46Å; A163-R166 PolarHBondContact O-N 3.31Å; A163-F167 WeakPolarHBondContact O-CB 3.4Å; A163-F167 PolarHBondContact O-N 2.94Å; A163-F167 VanDerWaalsContact O-N 3.08Å
164D94.2Very high89.5Confident4 Ų442.3 Ų42.32%0.02123%0.23CC..Hα-helixtrans-62.7-32.9179.3-176.354.9000111.8M63 A161 P162 R166 F167 Y168 S186 K190M63-D164 HydrophobicContact CE-CB 3.51Å; M63-D164 WeakPolarHBondContact CE-OD1 3.23Å; A161-D164 HydrophobicContact CB-CB 4.38Å; A161-D164 WeakPolarHBondContact O-CB 3.39Å; A161-D164 PolarHBondContact O-N 2.88Å; P162-D164 VanDerWaalsContact C-N 3.28Å; P162-D164 PolarHBondContact O-N 2.86Å; D164-R166 PolarHBondContact O-N 3.14Å; D164-F167 PolarHBondContact O-N 3.35Å; D164-Y168 VanDerWaalsContact O-CB 3.26Å; D164-Y168 WeakPolarHBondContact O-CB 3.49Å; D164-Y168 PolarHBondContact O-N 2.62Å; D164-S186 VanDerWaalsContact CG-OG 3.24Å; D164-S186 WeakPolarHBondContact OD1-CA 3.42Å; D164-S186 WeakPolarHBondContact OD1-CB 3.47Å; D164-S186 PolarHBondContact OD1-OG 3.03Å; D164-S186 PolarHBondContact OD2-OG 3.45Å; D164-K190 IonicContact OD2-NZ 3.24Å; D164-K190 PolarHBondContact OD2-NZ 3.4Å
165K89.4Confident89.3Confident151 Ų15146 Ų4666%0.65726%0.262SS*.Hα-helixtrans-58.3-49.3-179.6-172176-177.61770112.1P162 A163 A169P162-K165 WeakPolarHBondContact O-CB 3.42Å; P162-K165 PolarHBondContact O-N 3.2Å; A163-K165 PolarHBondContact O-N 3.46Å; K165-A169 VanDerWaalsContact O-CB 3.3Å; K165-A169 WeakPolarHBondContact O-CB 3.43Å; K165-A169 PolarHBondContact O-N 3.33Å
166R93.5Very high89.6Confident67 Ų6745.9 Ų45.925%0.25326%0.261SS..Hα-helixtrans-73.7-38.4176.7-76.5-173.269.1-140.52.5111.6I29 N32 I34 A163 D164 A169 T170I29-R166 HydrophobicContact CG2-CB 3.72Å; I29-R166 PolarHBondContact O-NH1 3.37Å; N32-R166 PolarHBondContact OD1-NH1 3.25Å; N32-R166 VanDerWaalsContact OD1-NH1 3.09Å; N32-R166 PolarHBondContact OD1-NH2 3.08Å; N32-R166 VanDerWaalsContact OD1-NH2 3.16Å; I34-R166 PolarHBondContact O-NH1 3.33Å; I34-R166 PolarHBondContact O-NH2 3.16Å; I34-R166 VanDerWaalsContact O-NH2 3.13Å; A163-R166 PolarHBondContact O-N 3.31Å; D164-R166 PolarHBondContact O-N 3.14Å; R166-A169 PolarHBondContact O-N 3.37Å; R166-T170 PolarHBondContact O-N 3.09Å; R166-T170 PolarHBondContact O-OG1 3.49Å
167F96.9Very high89.9Confident3 Ų343.8 Ų43.81%0.01325%0.253CS..Hα-helixtrans-61.3-50.7179.4-149.4-43.6000111I26 I29 I39 A43 L59 A163 D164 T170 R171 L182I26-F167 HydrophobicContact CD1-CD2 3.79Å; I26-F167 HydrophobicContact CD1-CE2 3.7Å; I29-F167 HydrophobicContact CD1-CB 4.46Å; I29-F167 HydrophobicContact CD1-CD2 3.26Å; I29-F167 HydrophobicContact CD1-CE2 3.59Å; I29-F167 HydrophobicContact CD1-CG 4.01Å; I39-F167 HydrophobicContact CG2-CD1 3.97Å; I39-F167 HydrophobicContact CG2-CE1 4.19Å; I39-F167 HydrophobicContact CG2-CG 4.3Å; A43-F167 HydrophobicContact CB-CE1 4.04Å; L59-F167 HydrophobicContact CD1-CE2 4.49Å; A163-F167 WeakPolarHBondContact O-CB 3.4Å; A163-F167 PolarHBondContact O-N 2.94Å; A163-F167 VanDerWaalsContact O-N 3.08Å; D164-F167 PolarHBondContact O-N 3.35Å; F167-T170 PolarHBondContact O-N 2.66Å; F167-R171 HydrophobicContact CD1-CG 3.9Å; F167-R171 HydrophobicContact CE1-CG 4.14Å; F167-R171 WeakPolarHBondContact O-CG 3.37Å; F167-R171 PolarHBondContact O-N 2.91Å; F167-L182 HydrophobicContact CE1-CD2 4.06Å; F167-L182 HydrophobicContact CZ-CD2 4.04Å
168Y92.8Very high90.5Very high56 Ų5645.9 Ų45.922%0.2226%0.263CS..Hα-helixtrans-61.5-46176.9-176.2-94.4000111.8L117 D164 T170 R171 D172 V177L117-Y168 HydrophobicContact CD2-CE1 4.15Å; D164-Y168 VanDerWaalsContact O-CB 3.26Å; D164-Y168 WeakPolarHBondContact O-CB 3.49Å; D164-Y168 PolarHBondContact O-N 2.62Å; Y168-T170 VanDerWaalsContact C-N 3.29Å; Y168-T170 PolarHBondContact O-N 2.88Å; Y168-R171 WeakPolarHBondContact O-CB 3.35Å; Y168-R171 PolarHBondContact O-N 3.24Å; Y168-D172 HydrophobicContact CE1-CB 4.38Å; Y168-D172 WeakPolarHBondContact O-CB 3.5Å; Y168-D172 PolarHBondContact O-N 3.02Å; Y168-V177 HydrophobicContact CE2-CG1 4.23Å
169A90.2Very high91.4Very high53 Ų5341 Ų4144%0.43823%0.229SC..Hα-helixtrans-56.8-41.417800000112.6K165 R166K165-A169 VanDerWaalsContact O-CB 3.3Å; K165-A169 WeakPolarHBondContact O-CB 3.43Å; K165-A169 PolarHBondContact O-N 3.33Å; R166-A169 PolarHBondContact O-N 3.37Å
170T94.9Very high92Very high5 Ų540.2 Ų40.23%0.03122%0.221CC..Hα-helixtrans-68.5-41.1174.1-56.60000111.9E36 I39 A40 R166 F167 Y168 D172 I173 T174E36-T170 HydrophobicContact CG-CG2 3.84Å; I39-T170 HydrophobicContact CB-CG2 4.04Å; I39-T170 HydrophobicContact CG2-CG2 3.79Å; A40-T170 HydrophobicContact CB-CG2 3.86Å; R166-T170 PolarHBondContact O-N 3.09Å; R166-T170 PolarHBondContact O-OG1 3.49Å; F167-T170 PolarHBondContact O-N 2.66Å; Y168-T170 VanDerWaalsContact C-N 3.29Å; Y168-T170 PolarHBondContact O-N 2.88Å; T170-D172 VanDerWaalsContact C-N 3.29Å; T170-D172 PolarHBondContact O-N 2.95Å; T170-I173 WeakPolarHBondContact O-CG1 3.39Å; T170-I173 PolarHBondContact O-N 3.22Å; T170-T174 HydrophobicContact CG2-CG2 4.12Å; T170-T174 WeakPolarHBondContact O-CB 3.42Å; T170-T174 VanDerWaalsContact O-CG2 3.25Å; T170-T174 WeakPolarHBondContact O-CG2 3.48Å; T170-T174 PolarHBondContact O-N 3.36Å; T170-T174 PolarHBondContact O-OG1 3.46Å
171R94.8Very high92.7Very high4 Ų440.2 Ų40.22%0.01522%0.221CC..Hα-helixtrans-60.6-40178.7-75.4164.757.8-142.1-1.5112.6A43 F167 Y168 I173 T174 A175 T176 V177 L182A43-R171 HydrophobicContact CB-CG 4.29Å; F167-R171 HydrophobicContact CD1-CG 3.9Å; F167-R171 HydrophobicContact CE1-CG 4.14Å; F167-R171 WeakPolarHBondContact O-CG 3.37Å; F167-R171 PolarHBondContact O-N 2.91Å; Y168-R171 WeakPolarHBondContact O-CB 3.35Å; Y168-R171 PolarHBondContact O-N 3.24Å; R171-I173 PolarHBondContact O-N 3Å; R171-T174 WeakPolarHBondContact CA-OG1 3.5Å; R171-T174 PolarHBondContact O-N 2.96Å; R171-T174 PolarHBondContact O-OG1 2.98Å; R171-A175 PolarHBondContact O-N 2.85Å; R171-T176 VanDerWaalsContact CA-OG1 3.32Å; R171-T176 WeakPolarHBondContact CA-OG1 3.34Å; R171-T176 WeakPolarHBondContact CG-OG1 3.2Å; R171-T176 PolarHBondContact NE-O 3.16Å; R171-T176 PolarHBondContact O-N 3.32Å; R171-V177 HydrophobicContact CB-CG2 4.16Å; R171-V177 PolarHBondContact NH2-O 2.87Å; R171-V177 WeakPolarHBondContact O-CG2 3.45Å; R171-L182 HydrophobicContact CG-CD1 4.39Å
172D89.2Confident93.1Very high95 Ų9540.4 Ų40.451%0.50822%0.222SC..Hα-helixtrans-64.5-25.5-177.6-16242.5000113.2Y168 T170 V177Y168-D172 HydrophobicContact CE1-CB 4.38Å; Y168-D172 WeakPolarHBondContact O-CB 3.5Å; Y168-D172 PolarHBondContact O-N 3.02Å; T170-D172 VanDerWaalsContact C-N 3.29Å; T170-D172 PolarHBondContact O-N 2.95Å; D172-V177 HydrophobicContact CB-CG2 4.4Å
173I89.3Confident93.2Very high118 Ų11839.5 Ų39.561%0.60522%0.215SC*.THydrogen-bonded Turntrans-106.42.6177.768.1173.6000114T170 R171T170-I173 WeakPolarHBondContact O-CG1 3.39Å; T170-I173 PolarHBondContact O-N 3.22Å; R171-I173 PolarHBondContact O-N 3Å
174T92.7Very high93.3Very high39 Ų3939.5 Ų39.524%0.23922%0.215CC..THydrogen-bonded Turntrans-123.111.1-176.7570000113.9A40 T170 R171 T176A40-T174 HydrophobicContact CB-CG2 3.78Å; T170-T174 HydrophobicContact CG2-CG2 4.12Å; T170-T174 WeakPolarHBondContact O-CB 3.42Å; T170-T174 VanDerWaalsContact O-CG2 3.25Å; T170-T174 WeakPolarHBondContact O-CG2 3.48Å; T170-T174 PolarHBondContact O-N 3.36Å; T170-T174 PolarHBondContact O-OG1 3.46Å; R171-T174 WeakPolarHBondContact CA-OG1 3.5Å; R171-T174 PolarHBondContact O-N 2.96Å; R171-T174 PolarHBondContact O-OG1 2.98Å; T174-T176 PolarHBondContact O-N 3.1Å; T174-T176 PolarHBondContact OG1-OG1 2.86Å
175A92.1Very high93.4Very high84 Ų8439.3 Ų39.369%0.69421%0.214SC*.THydrogen-bonded Turntrans54.935.2-177.400000113.3R171R171-A175 PolarHBondContact O-N 2.85Å
176T95.6Very high93.6Very high0 Ų032.4 Ų32.40%019%0.185CC..  trans-115.820.7176.555.60000112.1A43 M44 R171 T174 L182A43-T176 HydrophobicContact CB-CG2 4.05Å; A43-T176 WeakPolarHBondContact CB-OG1 3.38Å; M44-T176 HydrophobicContact CB-CG2 4.19Å; M44-T176 HydrophobicContact CE-CG2 3.42Å; M44-T176 VanDerWaalsContact CE-CG2 3.42Å; M44-T176 HydrophobicContact SD-CG2 3.99Å; R171-T176 VanDerWaalsContact CA-OG1 3.32Å; R171-T176 WeakPolarHBondContact CA-OG1 3.34Å; R171-T176 WeakPolarHBondContact CG-OG1 3.2Å; R171-T176 PolarHBondContact NE-O 3.16Å; R171-T176 PolarHBondContact O-N 3.32Å; T174-T176 PolarHBondContact O-N 3.1Å; T174-T176 PolarHBondContact OG1-OG1 2.86Å; T176-L182 WeakPolarHBondContact O-CD1 3.36Å
177V89.5Confident93.6Very high23 Ų2330 Ų3014%0.13918%0.177CC..  trans-69.5-47173.9-170.80000110.5Y168 R171 D172 S179 I183 F210Y168-V177 HydrophobicContact CE2-CG1 4.23Å; R171-V177 HydrophobicContact CB-CG2 4.16Å; R171-V177 PolarHBondContact NH2-O 2.87Å; R171-V177 WeakPolarHBondContact O-CG2 3.45Å; D172-V177 HydrophobicContact CB-CG2 4.4Å; V177-S179 VanDerWaalsContact C-N 3.26Å; V177-S179 PolarHBondContact O-N 2.69Å; V177-I183 VanDerWaalsContact O-CG1 3.28Å; V177-I183 WeakPolarHBondContact O-CG1 3.32Å; V177-F210 HydrophobicContact CG1-CE2 4.31Å; V177-F210 HydrophobicContact CG1-CZ 3.66Å
178D89.2Confident93.5Very high76 Ų7629.8 Ų29.841%0.40618%0.176SC..  trans-7966.6-171.9-165.413.5000112.6F47F47-D178 WeakPolarHBondContact CE2-O 3.31Å
179S94.7Very high93.6Very high9 Ų927.1 Ų27.16%0.06317%0.166CC..  trans-139.4115.2177.9174.80000109V177 P181 L182 I183V177-S179 VanDerWaalsContact C-N 3.26Å; V177-S179 PolarHBondContact O-N 2.69Å; S179-P181 WeakPolarHBondContact OG-CD 3.3Å; S179-P181 WeakPolarHBondContact OG-CG 3.44Å; S179-L182 PolarHBondContact O-N 2.93Å; S179-I183 VanDerWaalsContact O-CG1 3.28Å; S179-I183 WeakPolarHBondContact O-CG1 3.09Å; S179-I183 PolarHBondContact O-N 2.99Å
180I95.3Very high93.6Very high24 Ų2426.5 Ų26.512%0.12315%0.153CC..Hα-helixtrans-46.9-50.5-178.7-67.4174.9000113.3L182 I183 T184 M211 A219 L220 A223I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.39Å; I180-I183 PolarHBondContact O-N 2.99Å; I180-T184 VanDerWaalsContact O-CB 3.24Å; I180-T184 WeakPolarHBondContact O-CB 3.35Å; I180-T184 PolarHBondContact O-N 3.2Å; I180-T184 PolarHBondContact O-OG1 3.47Å; I180-M211 HydrophobicContact CG1-CE 4.3Å; I180-A219 HydrophobicContact CD1-CB 3.69Å; I180-L220 HydrophobicContact CG2-CD1 4.33Å; I180-A223 HydrophobicContact CG2-CB 3.53Å
181P97.4Very high93.6Very high1 Ų126.4 Ų26.41%0.00615%0.152CC..Hα-helixtrans-63.2-38179.625.2-36.8000112.8I46 D50 M51 R56 S179 A185I46-P181 HydrophobicContact CG2-CB 4.31Å; I46-P181 HydrophobicContact CG2-CG 3.59Å; D50-P181 WeakPolarHBondContact OD1-CD 3.41Å; D50-P181 WeakPolarHBondContact OD1-CG 3.45Å; M51-P181 HydrophobicContact CB-CB 3.86Å; M51-P181 HydrophobicContact CB-CG 4.4Å; M51-P181 HydrophobicContact CG-CB 4.3Å; M51-P181 HydrophobicContact SD-CB 4.23Å; R56-P181 HydrophobicContact CG-CB 3.93Å; S179-P181 WeakPolarHBondContact OG-CD 3.3Å; S179-P181 WeakPolarHBondContact OG-CG 3.44Å; P181-A185 WeakPolarHBondContact O-CB 3.27Å; P181-A185 PolarHBondContact O-N 3.28Å
182L97.2Very high93.6Very high5 Ų526.5 Ų26.53%0.02615%0.153CC..Hα-helixtrans-72.8-38.4179-59.4-178.2000112.2A43 I46 L59 F167 R171 T176 S179 I180 S186A43-L182 HydrophobicContact CB-CD1 4.16Å; I46-L182 HydrophobicContact CB-CD2 4.35Å; I46-L182 HydrophobicContact CD1-CD2 3.83Å; I46-L182 HydrophobicContact CG2-CD1 4.35Å; I46-L182 HydrophobicContact CG2-CD2 3.84Å; I46-L182 HydrophobicContact CG2-CG 3.86Å; L59-L182 HydrophobicContact CD2-CD2 4.05Å; F167-L182 HydrophobicContact CE1-CD2 4.06Å; F167-L182 HydrophobicContact CZ-CD2 4.04Å; R171-L182 HydrophobicContact CG-CD1 4.39Å; T176-L182 WeakPolarHBondContact O-CD1 3.36Å; S179-L182 PolarHBondContact O-N 2.93Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.39Å; L182-S186 WeakPolarHBondContact O-CB 3.44Å; L182-S186 PolarHBondContact O-N 3.04Å
183I94.5Very high93.8Very high12 Ų1222 Ų226%0.06213%0.129CC..Hα-helixtrans-65.3-50.1175.4-64.4163000109.5V177 S179 I180 A185 S186 I187 F210 M211 L220V177-I183 VanDerWaalsContact O-CG1 3.28Å; V177-I183 WeakPolarHBondContact O-CG1 3.32Å; S179-I183 VanDerWaalsContact O-CG1 3.28Å; S179-I183 WeakPolarHBondContact O-CG1 3.09Å; S179-I183 PolarHBondContact O-N 2.99Å; I180-I183 PolarHBondContact O-N 2.99Å; I183-A185 PolarHBondContact O-N 3.45Å; I183-S186 PolarHBondContact O-N 3.22Å; I183-I187 HydrophobicContact CG2-CD1 3.64Å; I183-I187 HydrophobicContact CG2-CG1 4.33Å; I183-I187 WeakPolarHBondContact O-CB 3.49Å; I183-I187 WeakPolarHBondContact O-CG1 3.32Å; I183-I187 PolarHBondContact O-N 3.24Å; I183-F210 HydrophobicContact CD1-CD1 4.18Å; I183-F210 HydrophobicContact CD1-CE1 3.58Å; I183-F210 HydrophobicContact CD1-CZ 4.49Å; I183-F210 HydrophobicContact CG1-CE1 4.34Å; I183-M211 HydrophobicContact CD1-SD 4.13Å; I183-L220 HydrophobicContact CB-CD1 4.12Å; I183-L220 HydrophobicContact CG2-CD1 3.73Å; I183-L220 HydrophobicContact CG2-CD2 4.13Å
184T96.4Very high94.1Very high0 Ų016.3 Ų16.30%010%0.1CC..Hα-helixtrans-56-51.7179.5-60.10000110.8I180 S186 I187 L188 I224 V227I180-T184 VanDerWaalsContact O-CB 3.24Å; I180-T184 WeakPolarHBondContact O-CB 3.35Å; I180-T184 PolarHBondContact O-N 3.2Å; I180-T184 PolarHBondContact O-OG1 3.47Å; T184-S186 PolarHBondContact O-N 3.28Å; T184-I187 PolarHBondContact O-N 2.97Å; T184-L188 HydrophobicContact CG2-CD1 3.86Å; T184-L188 VanDerWaalsContact O-CB 3.32Å; T184-L188 WeakPolarHBondContact O-CB 3.38Å; T184-L188 WeakPolarHBondContact O-CG 3.33Å; T184-L188 PolarHBondContact O-N 2.9Å; T184-I224 HydrophobicContact CG2-CG1 3.98Å; T184-V227 HydrophobicContact CG2-CB 4.01Å; T184-V227 HydrophobicContact CG2-CG1 4.4Å; T184-V227 HydrophobicContact CG2-CG2 3.91Å
185A96.1Very high94.2Very high0 Ų015.7 Ų15.70%010%0.101CC..Hα-helixtrans-65.9-40.1-179.600000112.6L59 T60 M63 P181 I183 A189L59-A185 HydrophobicContact CB-CB 4.18Å; L59-A185 HydrophobicContact CD2-CB 3.57Å; L59-A185 HydrophobicContact CG-CB 3.59Å; T60-A185 VanDerWaalsContact OG1-CA 3.32Å; T60-A185 WeakPolarHBondContact OG1-CA 3.44Å; T60-A185 WeakPolarHBondContact OG1-CB 3.14Å; M63-A185 HydrophobicContact SD-CB 3.86Å; P181-A185 WeakPolarHBondContact O-CB 3.27Å; P181-A185 PolarHBondContact O-N 3.28Å; I183-A185 PolarHBondContact O-N 3.45Å; A185-A189 WeakPolarHBondContact O-CB 3.29Å; A185-A189 PolarHBondContact O-N 3.21Å
186S94.4Very high94.5Very high7 Ų712.2 Ų12.25%0.0497%0.071CC..Hα-helixtrans-62.6-49.3177.2-176.40000111.7D164 L182 I183 T184 K190D164-S186 VanDerWaalsContact CG-OG 3.24Å; D164-S186 WeakPolarHBondContact OD1-CA 3.42Å; D164-S186 WeakPolarHBondContact OD1-CB 3.47Å; D164-S186 PolarHBondContact OD1-OG 3.03Å; D164-S186 PolarHBondContact OD2-OG 3.45Å; L182-S186 WeakPolarHBondContact O-CB 3.44Å; L182-S186 PolarHBondContact O-N 3.04Å; I183-S186 PolarHBondContact O-N 3.22Å; T184-S186 PolarHBondContact O-N 3.28Å; S186-K190 PolarHBondContact O-NZ 3.07Å; S186-K190 PolarHBondContact OG-NZ 3.09Å
187I92.5Very high94.6Very high15 Ų1516.4 Ų16.48%0.0779%0.093CC..Hα-helixtrans-59.3-55.7177.9-73.3174.6000110.2H85 I183 T184 A189 K190 K191 M201 I224H85-I187 WeakPolarHBondContact CD2-CG2 3.25Å; I183-I187 HydrophobicContact CG2-CD1 3.64Å; I183-I187 HydrophobicContact CG2-CG1 4.33Å; I183-I187 WeakPolarHBondContact O-CB 3.49Å; I183-I187 WeakPolarHBondContact O-CG1 3.32Å; I183-I187 PolarHBondContact O-N 3.24Å; T184-I187 PolarHBondContact O-N 2.97Å; I187-A189 PolarHBondContact O-N 3.12Å; I187-K190 PolarHBondContact O-N 3.04Å; I187-K191 PolarHBondContact O-N 2.87Å; I187-M201 HydrophobicContact CD1-CE 3.99Å; I187-M201 HydrophobicContact CG2-SD 4.26Å; I187-I224 HydrophobicContact CD1-CD1 4.2Å
188L95.5Very high95Very high0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-72.9-26.9-172.6-70.6-179.4000113T60 T184 K190 K191 L192 L199 I224 V227 A228T60-L188 HydrophobicContact CG2-CB 3.44Å; T60-L188 VanDerWaalsContact CG2-CB 3.44Å; T60-L188 HydrophobicContact CG2-CD1 4.41Å; T184-L188 HydrophobicContact CG2-CD1 3.86Å; T184-L188 VanDerWaalsContact O-CB 3.32Å; T184-L188 WeakPolarHBondContact O-CB 3.38Å; T184-L188 WeakPolarHBondContact O-CG 3.33Å; T184-L188 PolarHBondContact O-N 2.9Å; L188-K190 PolarHBondContact O-N 3.45Å; L188-K191 PolarHBondContact O-N 2.83Å; L188-L192 HydrophobicContact CB-CD1 3.95Å; L188-L192 HydrophobicContact CB-CG 4.16Å; L188-L192 HydrophobicContact CD2-CG 4.44Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.01Å; L188-L199 HydrophobicContact CD2-CD2 3.62Å; L188-I224 HydrophobicContact CD1-CG2 4.27Å; L188-I224 HydrophobicContact CD2-CG2 4.04Å; L188-I224 HydrophobicContact CG-CG2 4.29Å; L188-V227 HydrophobicContact CD1-CB 3.73Å; L188-V227 HydrophobicContact CD1-CG1 3.58Å; L188-A228 HydrophobicContact CD1-CB 3.9Å; L188-A228 HydrophobicContact CD2-CB 3.88Å
189A93.4Very high95.5Very high0 Ų011.9 Ų11.90%07%0.068CC..Hα-helixtrans-57.4-39.8174.400000111.9M63 A161 A185 I187 A193M63-A189 HydrophobicContact CB-CB 3.46Å; M63-A189 VanDerWaalsContact CB-CB 3.46Å; M63-A189 HydrophobicContact CE-CB 4.3Å; A161-A189 HydrophobicContact CB-CB 4.06Å; A185-A189 WeakPolarHBondContact O-CB 3.29Å; A185-A189 PolarHBondContact O-N 3.21Å; I187-A189 PolarHBondContact O-N 3.12Å; A189-A193 VanDerWaalsContact O-CB 3.3Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 2.8Å
190K91Very high95.7Very high39 Ų3911.4 Ų11.417%0.177%0.065CC..Hα-helixtrans-74.6-48.9177.4-64.7-178.1-72.7-70.80111L160 A161 D164 S186 I187 L188 A193L160-K190 HydrophobicContact CD2-CB 4.21Å; L160-K190 HydrophobicContact CD2-CG 4.49Å; A161-K190 HydrophobicContact CB-CG 4.26Å; D164-K190 IonicContact OD2-NZ 3.24Å; D164-K190 PolarHBondContact OD2-NZ 3.4Å; S186-K190 PolarHBondContact O-NZ 3.07Å; S186-K190 PolarHBondContact OG-NZ 3.09Å; I187-K190 PolarHBondContact O-N 3.04Å; L188-K190 PolarHBondContact O-N 3.45Å; K190-A193 WeakPolarHBondContact O-CB 3.35Å; K190-A193 PolarHBondContact O-N 3.02Å
191K94.3Very high95.8Very high3 Ų310.3 Ų10.31%0.0136%0.059CC..Hα-helixtrans-66.9-41.8-177.2-64.4-53.1-177.8-179.90114.1D83 H85 I112 I187 L188 A193 E194 L196 L199D83-K191 IonicContact OD2-NZ 2.58Å; D83-K191 PolarHBondContact OD2-NZ 3.5Å; H85-K191 HydrophobicContact CB-CD 4.28Å; H85-K191 HydrophobicContact CB-CG 4.02Å; H85-K191 WeakPolarHBondContact ND1-CE 3.33Å; I112-K191 PolarHBondContact O-NZ 2.8Å; I187-K191 PolarHBondContact O-N 2.87Å; L188-K191 PolarHBondContact O-N 2.83Å; K191-A193 PolarHBondContact O-N 3.23Å; K191-E194 VanDerWaalsContact CD-OE1 3.29Å; K191-E194 WeakPolarHBondContact CD-OE1 3.35Å; K191-E194 IonicContact NZ-OE1 2.89Å; K191-E194 PolarHBondContact NZ-OE1 3.24Å; K191-E194 IonicContact NZ-OE2 2.68Å; K191-E194 VanDerWaalsContact O-CB 3.27Å; K191-E194 WeakPolarHBondContact O-CB 3.24Å; K191-E194 PolarHBondContact O-N 2.93Å; K191-E194 VanDerWaalsContact O-N 3.08Å; K191-L196 HydrophobicContact CB-CD1 4.45Å; K191-L196 WeakPolarHBondContact O-CD1 3.43Å; K191-L196 WeakPolarHBondContact O-CG 3.43Å; K191-L199 HydrophobicContact CB-CD2 4.23Å
192L94.8Very high95.9Very high6 Ų610.2 Ų10.23%0.0316%0.059CC..Hα-helixtrans-73-18.5177.1-57.6177.5000112.3T60 M61 R64 L188 E194 G195 A231 V233T60-L192 HydrophobicContact CG2-CD1 3.81Å; M61-L192 HydrophobicContact CE-CD1 3.85Å; R64-L192 HydrophobicContact CG-CB 4.22Å; L188-L192 HydrophobicContact CB-CD1 3.95Å; L188-L192 HydrophobicContact CB-CG 4.16Å; L188-L192 HydrophobicContact CD2-CG 4.44Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.01Å; L192-E194 PolarHBondContact O-N 2.85Å; L192-G195 PolarHBondContact O-N 3.12Å; L192-A231 HydrophobicContact CD1-CB 3.68Å; L192-A231 HydrophobicContact CD2-CB 4.33Å; L192-V233 HydrophobicContact CD2-CB 3.88Å; L192-V233 HydrophobicContact CD2-CG1 4.36Å; L192-V233 HydrophobicContact CD2-CG2 3.47Å; L192-V233 VanDerWaalsContact CD2-CG2 3.47Å
193A93.8Very high95.9Very high0 Ų010 Ų100%06%0.058CC..THydrogen-bonded Turntrans-73.4-12171.200000112.5R64 V69 L70 L160 A189 K190 K191 G195R64-A193 HydrophobicContact CG-CB 4.02Å; V69-A193 CarbonylContact C-O 3.45Å; V69-A193 WeakPolarHBondContact CA-O 3.45Å; L70-A193 PolarHBondContact N-O 3.26Å; L160-A193 HydrophobicContact CD1-CB 3.99Å; L160-A193 HydrophobicContact CD2-CB 3.94Å; L160-A193 HydrophobicContact CG-CB 3.73Å; A189-A193 VanDerWaalsContact O-CB 3.3Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 2.8Å; K190-A193 WeakPolarHBondContact O-CB 3.35Å; K190-A193 PolarHBondContact O-N 3.02Å; K191-A193 PolarHBondContact O-N 3.23Å; A193-G195 PolarHBondContact O-N 3.26Å
194E95.3Very high96.1Very high0 Ų09.5 Ų9.50%06%0.055CC..THydrogen-bonded Turntrans-76.9-7.4173.8-61.8164.3178.100112.7W72 D83 P110 I112 K191 L192 L196W72-E194 PolarHBondContact NE1-O 2.93Å; D83-E194 VanDerWaalsContact OD2-OE2 3.12Å; P110-E194 HydrophobicContact CG-CB 4.3Å; I112-E194 HydrophobicContact CB-CG 4.33Å; I112-E194 VanDerWaalsContact CB-OE1 3.23Å; I112-E194 WeakPolarHBondContact CB-OE1 3.38Å; I112-E194 HydrophobicContact CD1-CG 3.69Å; I112-E194 HydrophobicContact CG1-CG 3.84Å; I112-E194 PolarHBondContact N-OE1 3.43Å; K191-E194 VanDerWaalsContact CD-OE1 3.29Å; K191-E194 WeakPolarHBondContact CD-OE1 3.35Å; K191-E194 IonicContact NZ-OE1 2.89Å; K191-E194 PolarHBondContact NZ-OE1 3.24Å; K191-E194 IonicContact NZ-OE2 2.68Å; K191-E194 VanDerWaalsContact O-CB 3.27Å; K191-E194 WeakPolarHBondContact O-CB 3.24Å; K191-E194 PolarHBondContact O-N 2.93Å; K191-E194 VanDerWaalsContact O-N 3.08Å; L192-E194 PolarHBondContact O-N 2.85Å; E194-L196 HydrophobicContact CB-CD2 3.64Å; E194-L196 HydrophobicContact CB-CG 3.94Å
195G95.5Very high96.2Very high25 Ų259.9 Ų9.926%0.2586%0.057SC..  trans69.243.5179.400000113.4L70 L192 A193L70-G195 WeakPolarHBondContact O-CA 3.43Å; L192-G195 PolarHBondContact O-N 3.12Å; A193-G195 PolarHBondContact O-N 3.26Å
196L97.8Very high96.2Very high12 Ų1211 Ų116%0.0637%0.07CC..  trans-76.1146.6-173.9-54.3-178.3000113.3I81 D83 P110 K191 E194 L199 V233I81-L196 HydrophobicContact CG2-CD2 3.84Å; D83-L196 HydrophobicContact CB-CD1 3.91Å; D83-L196 HydrophobicContact CB-CD2 3.91Å; P110-L196 HydrophobicContact CG-CD2 4.08Å; K191-L196 HydrophobicContact CB-CD1 4.45Å; K191-L196 WeakPolarHBondContact O-CD1 3.43Å; K191-L196 WeakPolarHBondContact O-CG 3.43Å; E194-L196 HydrophobicContact CB-CD2 3.64Å; E194-L196 HydrophobicContact CB-CG 3.94Å; L196-L199 HydrophobicContact CD1-CB 4.17Å; L196-L199 HydrophobicContact CD1-CD1 4.09Å; L196-V233 HydrophobicContact CB-CG1 3.95Å; L196-V233 WeakPolarHBondContact O-CG2 3.5Å
197D98.1Very high96.3Very high88 Ų8813 Ų1347%0.4718%0.083SC..SBendtrans-85.8-37.4163.8-64.5-51.7000111.2P80 I81 R234P80-D197 WeakPolarHBondContact CA-OD2 3.17Å; P80-D197 HydrophobicContact CB-CB 4.42Å; I81-D197 PolarHBondContact N-OD2 3.23Å; I81-D197 WeakPolarHBondContact O-CA 3.48Å; I81-D197 WeakPolarHBondContact O-CB 3.33Å; I81-D197 PolarHBondContact O-N 3.47Å; D197-R234 PolarHBondContact O-N 2.79Å; D197-R234 VanDerWaalsContact O-N 3.1Å
198A98.6Very high96.4Very high1 Ų112.3 Ų12.31%0.0088%0.08CC..EExtended strand (participates in β ladder)trans-144.8155.1177.600000113.7I81 V82 D83 R234I81-A198 PolarHBondContact O-N 3.46Å; V82-A198 WeakPolarHBondContact CA-O 3.33Å; V82-A198 HydrophobicContact CG1-CB 3.92Å; D83-A198 PolarHBondContact N-O 2.92Å; A198-R234 CarbonylContact C-O 3.59Å; A198-R234 WeakPolarHBondContact CA-O 3.44Å; A198-R234 HydrophobicContact CB-CB 4.15Å; A198-R234 WeakPolarHBondContact CB-O 3.45Å
199L98.7Very high96.3Very high2 Ų212.8 Ų12.81%0.018%0.084CC..EExtended strand (participates in β ladder)trans-140140.1-179.1174.664.9000109.8D83 H85 L188 K191 L196 V233 R234 T235 T236D83-L199 WeakPolarHBondContact O-CA 3.36Å; D83-L199 WeakPolarHBondContact O-CD1 3.43Å; H85-L199 HydrophobicContact CB-CD1 4.49Å; L188-L199 HydrophobicContact CD2-CD2 3.62Å; K191-L199 HydrophobicContact CB-CD2 4.23Å; L196-L199 HydrophobicContact CD1-CB 4.17Å; L196-L199 HydrophobicContact CD1-CD1 4.09Å; L199-V233 HydrophobicContact CB-CG1 4.01Å; L199-R234 PolarHBondContact N-O 2.83Å; L199-T235 HydrophobicContact CB-CG2 4.06Å; L199-T235 HydrophobicContact CD2-CG2 4.11Å; L199-T235 HydrophobicContact CG-CG2 4.09Å; L199-T235 VanDerWaalsContact O-CA 3.25Å; L199-T235 WeakPolarHBondContact O-CA 3.42Å; L199-T236 PolarHBondContact O-N 3.11Å
200V98.8Very high95.9Very high0 Ų016.6 Ų16.60%010%0.1CC..EExtended strand (participates in β ladder)trans-112.7133162.266.80000109.9D83 K84 H85 T236 L238 L279 E282 M283D83-V200 PolarHBondContact O-N 3.49Å; K84-V200 WeakPolarHBondContact CA-O 3.44Å; K84-V200 HydrophobicContact CB-CG1 3.74Å; K84-V200 HydrophobicContact CG-CG1 3.65Å; H85-V200 PolarHBondContact N-O 2.84Å; V200-T236 WeakPolarHBondContact CA-O 3.44Å; V200-L238 HydrophobicContact CG2-CG 4.48Å; V200-L279 HydrophobicContact CG1-CB 4.49Å; V200-L279 HydrophobicContact CG1-CD2 4.27Å; V200-L279 HydrophobicContact CG2-CD2 3.88Å; V200-E282 HydrophobicContact CB-CB 3.97Å; V200-E282 HydrophobicContact CG2-CB 3.58Å; V200-E282 HydrophobicContact CG2-CG 3.98Å; V200-M283 HydrophobicContact CB-CG 4.23Å; V200-M283 HydrophobicContact CG1-CG 3.49Å; V200-M283 VanDerWaalsContact CG1-CG 3.49Å; V200-M283 HydrophobicContact CG1-SD 3.96Å
201M98.5Very high95.9Very high0 Ų015 Ų150%09%0.094CC..EExtended strand (participates in β ladder)trans-102.4128.5174-173.266.8-160.400110.6H85 T87 I187 V203 I224 T236 A237 L238H85-M201 HydrophobicContact CB-SD 3.76Å; T87-M201 HydrophobicContact CG2-CE 3.46Å; T87-M201 VanDerWaalsContact CG2-CE 3.46Å; I187-M201 HydrophobicContact CD1-CE 3.99Å; I187-M201 HydrophobicContact CG2-SD 4.26Å; M201-V203 HydrophobicContact CE-CG2 4.13Å; M201-V203 HydrophobicContact CG-CG2 3.63Å; M201-I224 HydrophobicContact CB-CG2 3.99Å; M201-I224 HydrophobicContact CE-CD1 3.98Å; M201-I224 HydrophobicContact CG-CD1 3.81Å; M201-I224 HydrophobicContact CG-CG2 3.94Å; M201-I224 HydrophobicContact SD-CD1 4.01Å; M201-I224 HydrophobicContact SD-CG2 4.44Å; M201-T236 PolarHBondContact N-O 3.23Å; M201-A237 HydrophobicContact CB-CB 3.95Å; M201-A237 CarbonylContact O-C 3.6Å; M201-A237 WeakPolarHBondContact O-CA 3.26Å; M201-L238 PolarHBondContact O-N 2.81Å
202D98.7Very high95.6Very high0 Ų019.4 Ų19.40%013%0.125CC..EExtended strand (participates in β ladder)trans-102.8100.3174.1-176.10.7000109.1K84 H85 S86 T87 K204 T240 L279K84-D202 HydrophobicContact CD-CB 4.34Å; H85-D202 WeakPolarHBondContact O-CB 3.21Å; H85-D202 PolarHBondContact O-N 3.22Å; S86-D202 VanDerWaalsContact CA-O 3.3Å; S86-D202 WeakPolarHBondContact CA-O 3.36Å; T87-D202 PolarHBondContact N-O 2.77Å; D202-K204 WeakPolarHBondContact OD1-CD 3.5Å; D202-K204 WeakPolarHBondContact OD1-CE 3.46Å; D202-K204 IonicContact OD1-NZ 2.91Å; D202-K204 PolarHBondContact OD1-NZ 2.74Å; D202-K204 VanDerWaalsContact OD1-NZ 3.11Å; D202-K204 WeakPolarHBondContact OD2-CE 3.43Å; D202-K204 IonicContact OD2-NZ 3.77Å; D202-K204 PolarHBondContact OD2-NZ 3.06Å; D202-T240 WeakPolarHBondContact OD1-CB 3.48Å; D202-T240 VanDerWaalsContact OD1-CG2 3.24Å; D202-T240 WeakPolarHBondContact OD1-CG2 3.36Å; D202-T240 PolarHBondContact OD1-OG1 3.29Å; D202-L279 HydrophobicContact CB-CD1 4.23Å; D202-L279 HydrophobicContact CB-CD2 3.72Å; D202-L279 WeakPolarHBondContact OD2-CD1 3.15Å
203V98.3Very high95.7Very high1 Ų121.8 Ų21.81%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-98.8112.5179.2-1760000108.6T87 M201 S217 L220 A221 L238 L239 T240T87-V203 HydrophobicContact CG2-CB 4.39Å; T87-V203 HydrophobicContact CG2-CG1 4.1Å; T87-V203 HydrophobicContact CG2-CG2 4.28Å; M201-V203 HydrophobicContact CE-CG2 4.13Å; M201-V203 HydrophobicContact CG-CG2 3.63Å; V203-S217 WeakPolarHBondContact CG1-O 3.41Å; V203-L220 HydrophobicContact CG1-CD2 4.24Å; V203-A221 HydrophobicContact CB-CB 4.21Å; V203-A221 HydrophobicContact CG2-CB 3.77Å; V203-L238 PolarHBondContact N-O 2.91Å; V203-L239 HydrophobicContact CB-CD2 3.93Å; V203-L239 HydrophobicContact CG1-CD2 4.21Å; V203-L239 WeakPolarHBondContact O-CA 3.39Å; V203-T240 PolarHBondContact O-N 2.77Å; V203-T240 VanDerWaalsContact O-N 3.08Å
204K98Very high95.9Very high0 Ų025.2 Ų25.20%015%0.154CC..EExtended strand (participates in β ladder)trans-70.5143.9-178.3-58-43.5-174.1173.10110.8S86 T87 G88 D92 D202 A209 S217 T240 M242S86-K204 WeakPolarHBondContact OG-CE 3.37Å; T87-K204 WeakPolarHBondContact OG1-CG 3.49Å; T87-K204 PolarHBondContact OG1-N 2.87Å; T87-K204 VanDerWaalsContact OG1-N 3.12Å; G88-K204 WeakPolarHBondContact O-CG 3.26Å; D92-K204 IonicContact OD1-NZ 2.66Å; D92-K204 WeakPolarHBondContact OD2-CE 3.34Å; D92-K204 IonicContact OD2-NZ 2.9Å; D92-K204 PolarHBondContact OD2-NZ 2.86Å; D202-K204 WeakPolarHBondContact OD1-CD 3.5Å; D202-K204 WeakPolarHBondContact OD1-CE 3.46Å; D202-K204 IonicContact OD1-NZ 2.91Å; D202-K204 PolarHBondContact OD1-NZ 2.74Å; D202-K204 VanDerWaalsContact OD1-NZ 3.11Å; D202-K204 WeakPolarHBondContact OD2-CE 3.43Å; D202-K204 IonicContact OD2-NZ 3.77Å; D202-K204 PolarHBondContact OD2-NZ 3.06Å; K204-A209 HydrophobicContact CB-CB 3.83Å; K204-A209 VanDerWaalsContact O-CB 3.25Å; K204-A209 WeakPolarHBondContact O-CB 3.37Å; K204-S217 PolarHBondContact O-OG 2.81Å; K204-T240 CarbonylContact C-O 3.39Å; K204-T240 WeakPolarHBondContact CA-O 3.5Å; K204-T240 WeakPolarHBondContact CD-OG1 3.12Å; K204-T240 PolarHBondContact NZ-OG1 2.88Å; K204-M242 HydrophobicContact CB-CB 3.92Å; K204-M242 HydrophobicContact CB-CG 4.36Å; K204-M242 HydrophobicContact CD-CE 3.5Å; K204-M242 VanDerWaalsContact CD-CE 3.5Å; K204-M242 VanDerWaalsContact CE-CE 3.42Å; K204-M242 HydrophobicContact CG-CB 4.36Å; K204-M242 HydrophobicContact CG-CE 3.91Å; K204-M242 HydrophobicContact CG-CG 4.44Å
205V98.4Very high96Very high8 Ų831.1 Ų31.15%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-122.8131.2173.6174.80000107.9Y214 L239 T240 M242 N243 Y435V205-Y214 HydrophobicContact CG1-CD2 3.78Å; V205-Y214 HydrophobicContact CG2-CD2 4.26Å; V205-L239 HydrophobicContact CG2-CB 3.97Å; V205-L239 HydrophobicContact CG2-CD2 4.44Å; V205-T240 PolarHBondContact N-O 2.83Å; V205-M242 PolarHBondContact O-N 2.65Å; V205-N243 PolarHBondContact O-OD1 3.18Å; V205-Y435 HydrophobicContact CB-CD2 4.23Å; V205-Y435 HydrophobicContact CB-CE2 3.95Å; V205-Y435 HydrophobicContact CG1-CD2 4.44Å; V205-Y435 HydrophobicContact CG1-CE2 3.98Å; V205-Y435 HydrophobicContact CG2-CD2 4.39Å
206G97Very high96Very high25 Ų2532.9 Ų32.926%0.25818%0.184SC..SBendtrans125.8-168.9172.600000116.1G208 A209 N243G206-G208 PolarHBondContact O-N 3.41Å; G206-G208 VanDerWaalsContact O-N 3.15Å; G206-A209 VanDerWaalsContact O-CB 3.24Å; G206-A209 WeakPolarHBondContact O-CB 3.27Å; G206-A209 PolarHBondContact O-N 3.19Å; G206-N243 WeakPolarHBondContact CA-OD1 3.25Å
207S95.5Very high96Very high48 Ų4832.3 Ų32.334%0.33618%0.181SC..THydrogen-bonded Turntrans-60-25.6-174.7630000114.4N243 M354 T356S207-N243 PolarHBondContact OG-O 3.42Å; S207-M354 PolarHBondContact OG-O 2.89Å; S207-T356 PolarHBondContact OG-N 3.43Å; S207-T356 PolarHBondContact OG-OG1 2.93Å
208G94.9Very high96Very high0 Ų030 Ų300%017%0.167CC..THydrogen-bonded Turntrans-99.70.4175.600000114.8H119 G206 M242H119-G208 PolarHBondContact NE2-O 3.1Å; G206-G208 PolarHBondContact O-N 3.41Å; G206-G208 VanDerWaalsContact O-N 3.15Å; G208-M242 PolarHBondContact N-O 2.85Å
209A92.9Very high95.9Very high11 Ų1131.5 Ų31.59%0.09118%0.18CC..SBendtrans-72.8163.5-178.400000112.7K204 G206K204-A209 HydrophobicContact CB-CB 3.83Å; K204-A209 VanDerWaalsContact O-CB 3.25Å; K204-A209 WeakPolarHBondContact O-CB 3.37Å; G206-A209 VanDerWaalsContact O-CB 3.24Å; G206-A209 WeakPolarHBondContact O-CB 3.27Å; G206-A209 PolarHBondContact O-N 3.19Å
210F86.2Confident95.8Very high79 Ų7931.4 Ų31.435%0.34618%0.179SC..SBendtrans-74.3-45.5173.7-171.7-87.1000111.4V177 I183V177-F210 HydrophobicContact CG1-CE2 4.31Å; V177-F210 HydrophobicContact CG1-CZ 3.66Å; I183-F210 HydrophobicContact CD1-CD1 4.18Å; I183-F210 HydrophobicContact CD1-CE1 3.58Å; I183-F210 HydrophobicContact CD1-CZ 4.49Å; I183-F210 HydrophobicContact CG1-CE1 4.34Å
211M89.6Confident95.8Very high5 Ų531.4 Ų31.43%0.02518%0.179CC..SBendtrans-80.8142.1177.3-55.2-51.5-63.900110.4I180 I183 T213 L216 S217 L220I180-M211 HydrophobicContact CG1-CE 4.3Å; I183-M211 HydrophobicContact CD1-SD 4.13Å; M211-T213 PolarHBondContact O-N 3.12Å; M211-L216 HydrophobicContact CB-CB 4.03Å; M211-L216 HydrophobicContact CE-CB 3.74Å; M211-L216 HydrophobicContact CE-CD1 4.4Å; M211-L216 HydrophobicContact CE-CD2 4.43Å; M211-L216 HydrophobicContact CE-CG 4.42Å; M211-S217 WeakPolarHBondContact CB-OG 3.2Å; M211-L220 HydrophobicContact CG-CB 4.35Å; M211-L220 HydrophobicContact CG-CD2 3.87Å; M211-L220 HydrophobicContact SD-CD2 3.86Å
212S89.3Confident95.7Very high97 Ų9736.1 Ų36.168%0.67820%0.202SC*.SBendtrans-77.1-18.7-173.255.90000114.7L216S212-L216 WeakPolarHBondContact OG-CD1 3.4Å
213T95.2Very high95.6Very high56 Ų5636.3 Ų36.334%0.34420%0.203SC..SBendtrans-136.5163.7179.884.50000112.2M211 E215 L216 S217M211-T213 PolarHBondContact O-N 3.12Å; T213-E215 VanDerWaalsContact C-N 3.33Å; T213-E215 VanDerWaalsContact CB-OE2 3.23Å; T213-E215 WeakPolarHBondContact CB-OE2 3.5Å; T213-E215 PolarHBondContact OG1-N 3.42Å; T213-E215 PolarHBondContact OG1-OE2 3.45Å; T213-L216 HydrophobicContact CG2-CD1 4.44Å; T213-L216 PolarHBondContact O-N 2.81Å; T213-L216 PolarHBondContact OG1-N 2.86Å; T213-S217 PolarHBondContact O-N 3.43Å; T213-S217 VanDerWaalsContact O-N 3.09Å; T213-S217 PolarHBondContact O-OG 2.98Å
214Y97.9Very high95.6Very high72 Ų7236.3 Ų36.328%0.28220%0.203SC..Hα-helixtrans-59.6-45.3174.1177.2-83.9000111V205 L216 S217 E218 L239 Y435V205-Y214 HydrophobicContact CG1-CD2 3.78Å; V205-Y214 HydrophobicContact CG2-CD2 4.26Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.16Å; Y214-S217 WeakPolarHBondContact O-CA 3.48Å; Y214-S217 VanDerWaalsContact O-CB 3.3Å; Y214-S217 WeakPolarHBondContact O-CB 3.47Å; Y214-S217 PolarHBondContact O-N 3.33Å; Y214-E218 HydrophobicContact CE1-CB 4.36Å; Y214-E218 PolarHBondContact O-N 3.38Å; Y214-L239 HydrophobicContact CE1-CD1 4.44Å; Y214-L239 HydrophobicContact CE2-CD1 3.95Å; Y214-Y435 HydrophobicContact CE2-CD1 4.24Å; Y214-Y435 HydrophobicContact CE2-CG 4.18Å
215E97.9Very high95.6Very high123 Ų12336.5 Ų36.558%0.57520%0.204SC*.Hα-helixtrans-64-39.7-176.6-57.971.1-153.900111.3T213 S217 E218 A219T213-E215 VanDerWaalsContact C-N 3.33Å; T213-E215 VanDerWaalsContact CB-OE2 3.23Å; T213-E215 WeakPolarHBondContact CB-OE2 3.5Å; T213-E215 PolarHBondContact OG1-N 3.42Å; T213-E215 PolarHBondContact OG1-OE2 3.45Å; E215-S217 VanDerWaalsContact C-N 3.33Å; E215-E218 PolarHBondContact O-N 3.08Å; E215-A219 WeakPolarHBondContact O-CB 3.24Å; E215-A219 PolarHBondContact O-N 3.5Å
216L95.7Very high95.5Very high63 Ų6337.5 Ų37.533%0.3322%0.216SC..Hα-helixtrans-69.2-32.9174.8-74.3176.4000112.4M211 S212 T213 Y214 L220M211-L216 HydrophobicContact CB-CB 4.03Å; M211-L216 HydrophobicContact CE-CB 3.74Å; M211-L216 HydrophobicContact CE-CD1 4.4Å; M211-L216 HydrophobicContact CE-CD2 4.43Å; M211-L216 HydrophobicContact CE-CG 4.42Å; S212-L216 WeakPolarHBondContact OG-CD1 3.4Å; T213-L216 HydrophobicContact CG2-CD1 4.44Å; T213-L216 PolarHBondContact O-N 2.81Å; T213-L216 PolarHBondContact OG1-N 2.86Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.16Å; L216-L220 WeakPolarHBondContact O-CB 3.28Å; L216-L220 PolarHBondContact O-N 3.17Å
217S97.2Very high95.4Very high0 Ų036.3 Ų36.30%020%0.204CC..Hα-helixtrans-66.7-44.5173.4-53.90000111.1V203 K204 M211 T213 Y214 E215 L220 A221V203-S217 WeakPolarHBondContact CG1-O 3.41Å; K204-S217 PolarHBondContact O-OG 2.81Å; M211-S217 WeakPolarHBondContact CB-OG 3.2Å; T213-S217 PolarHBondContact O-N 3.43Å; T213-S217 VanDerWaalsContact O-N 3.09Å; T213-S217 PolarHBondContact O-OG 2.98Å; Y214-S217 WeakPolarHBondContact O-CA 3.48Å; Y214-S217 VanDerWaalsContact O-CB 3.3Å; Y214-S217 WeakPolarHBondContact O-CB 3.47Å; Y214-S217 PolarHBondContact O-N 3.33Å; E215-S217 VanDerWaalsContact C-N 3.33Å; S217-L220 PolarHBondContact O-N 3.11Å; S217-A221 WeakPolarHBondContact O-CB 3.48Å; S217-A221 PolarHBondContact O-N 2.67Å
218E98.2Very high95.5Very high38 Ų3834 Ų3418%0.17819%0.188CC..Hα-helixtrans-61.1-48174.9-174.1165.4-123.800111.1Y214 E215 L220 A221 E222 L239 R436 I438Y214-E218 HydrophobicContact CE1-CB 4.36Å; Y214-E218 PolarHBondContact O-N 3.38Å; E215-E218 PolarHBondContact O-N 3.08Å; E218-L220 VanDerWaalsContact C-N 3.32Å; E218-L220 PolarHBondContact O-N 2.58Å; E218-A221 WeakPolarHBondContact O-CB 3.44Å; E218-A221 PolarHBondContact O-N 3.5Å; E218-A221 VanDerWaalsContact O-N 3.13Å; E218-E222 WeakPolarHBondContact O-CG 3.03Å; E218-E222 PolarHBondContact O-N 3.1Å; E218-L239 HydrophobicContact CB-CD1 4.02Å; E218-L239 HydrophobicContact CG-CD1 4.34Å; E218-R436 IonicContact OE1-CZ 3.11Å; E218-R436 IonicContact OE1-NE 2.82Å; E218-R436 IonicContact OE1-NH1 3.44Å; E218-R436 PolarHBondContact OE1-NH1 3.14Å; E218-I438 HydrophobicContact CG-CD1 4.16Å
219A96.7Very high95.4Very high33 Ų3334.9 Ų34.927%0.27319%0.193SC..Hα-helixtrans-61.3-37.4177.800000113.1I180 E215 A223I180-A219 HydrophobicContact CD1-CB 3.69Å; E215-A219 WeakPolarHBondContact O-CB 3.24Å; E215-A219 PolarHBondContact O-N 3.5Å; A219-A223 WeakPolarHBondContact O-CB 3.4Å; A219-A223 PolarHBondContact O-N 2.98Å
220L96.9Very high95.2Very high0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-65.8-45.5173.5176.561.7000111.4T87 I180 I183 V203 M211 L216 S217 E218 A223 I224T87-L220 HydrophobicContact CG2-CD2 3.89Å; I180-L220 HydrophobicContact CG2-CD1 4.33Å; I183-L220 HydrophobicContact CB-CD1 4.12Å; I183-L220 HydrophobicContact CG2-CD1 3.73Å; I183-L220 HydrophobicContact CG2-CD2 4.13Å; V203-L220 HydrophobicContact CG1-CD2 4.24Å; M211-L220 HydrophobicContact CG-CB 4.35Å; M211-L220 HydrophobicContact CG-CD2 3.87Å; M211-L220 HydrophobicContact SD-CD2 3.86Å; L216-L220 WeakPolarHBondContact O-CB 3.28Å; L216-L220 PolarHBondContact O-N 3.17Å; S217-L220 PolarHBondContact O-N 3.11Å; E218-L220 VanDerWaalsContact C-N 3.32Å; E218-L220 PolarHBondContact O-N 2.58Å; L220-A223 PolarHBondContact O-N 3.28Å; L220-I224 HydrophobicContact CD1-CD1 3.83Å; L220-I224 HydrophobicContact CD1-CG1 4.17Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 WeakPolarHBondContact O-CG1 3.41Å; L220-I224 PolarHBondContact O-N 2.72Å
221A98.1Very high95.3Very high0 Ų034.6 Ų34.60%021%0.211CC..Hα-helixtrans-61.3-45.217900000111.7V203 S217 E218 A223 I224 V225 A237 L239 I438V203-A221 HydrophobicContact CB-CB 4.21Å; V203-A221 HydrophobicContact CG2-CB 3.77Å; S217-A221 WeakPolarHBondContact O-CB 3.48Å; S217-A221 PolarHBondContact O-N 2.67Å; E218-A221 WeakPolarHBondContact O-CB 3.44Å; E218-A221 PolarHBondContact O-N 3.5Å; E218-A221 VanDerWaalsContact O-N 3.13Å; A221-A223 PolarHBondContact O-N 3Å; A221-I224 PolarHBondContact O-N 2.82Å; A221-V225 WeakPolarHBondContact O-CB 3.49Å; A221-V225 VanDerWaalsContact O-CG2 3.32Å; A221-V225 WeakPolarHBondContact O-CG2 3.16Å; A221-V225 PolarHBondContact O-N 2.6Å; A221-A237 HydrophobicContact CB-CB 3.85Å; A221-L239 HydrophobicContact CB-CD2 3.77Å; A221-I438 HydrophobicContact CB-CD1 3.45Å; A221-I438 VanDerWaalsContact CB-CD1 3.45Å
222E97.8Very high95.3Very high99 Ų9937.6 Ų37.646%0.46324%0.242SC..Hα-helixtrans-60.7-43.6175.2-71.4177.3169.100112E218 I224 V225 G226 I438E218-E222 WeakPolarHBondContact O-CG 3.03Å; E218-E222 PolarHBondContact O-N 3.1Å; E222-I224 PolarHBondContact O-N 3.24Å; E222-V225 PolarHBondContact O-N 3.08Å; E222-G226 PolarHBondContact O-N 2.83Å; E222-I438 HydrophobicContact CG-CD1 4.36Å; E222-I438 HydrophobicContact CG-CG2 4.04Å
223A96.4Very high95.7Very high5 Ų533.5 Ų33.54%0.04121%0.214CC..Hα-helixtrans-62-44177.200000112.2I180 A219 L220 A221 V227I180-A223 HydrophobicContact CG2-CB 3.53Å; A219-A223 WeakPolarHBondContact O-CB 3.4Å; A219-A223 PolarHBondContact O-N 2.98Å; L220-A223 PolarHBondContact O-N 3.28Å; A221-A223 PolarHBondContact O-N 3Å; A223-V227 WeakPolarHBondContact O-CB 3.42Å; A223-V227 VanDerWaalsContact O-CG2 3.29Å; A223-V227 WeakPolarHBondContact O-CG2 3.44Å; A223-V227 PolarHBondContact O-N 3.3Å
224I97.4Very high95.8Very high0 Ų036.7 Ų36.70%022%0.219CC..Hα-helixtrans-64-48.7177.9-69.9169.4000110.7T184 I187 L188 M201 L220 A221 E222 G226 V227 A228T184-I224 HydrophobicContact CG2-CG1 3.98Å; I187-I224 HydrophobicContact CD1-CD1 4.2Å; L188-I224 HydrophobicContact CD1-CG2 4.27Å; L188-I224 HydrophobicContact CD2-CG2 4.04Å; L188-I224 HydrophobicContact CG-CG2 4.29Å; M201-I224 HydrophobicContact CB-CG2 3.99Å; M201-I224 HydrophobicContact CE-CD1 3.98Å; M201-I224 HydrophobicContact CG-CD1 3.81Å; M201-I224 HydrophobicContact CG-CG2 3.94Å; M201-I224 HydrophobicContact SD-CD1 4.01Å; M201-I224 HydrophobicContact SD-CG2 4.44Å; L220-I224 HydrophobicContact CD1-CD1 3.83Å; L220-I224 HydrophobicContact CD1-CG1 4.17Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 WeakPolarHBondContact O-CG1 3.41Å; L220-I224 PolarHBondContact O-N 2.72Å; A221-I224 PolarHBondContact O-N 2.82Å; E222-I224 PolarHBondContact O-N 3.24Å; I224-G226 PolarHBondContact O-N 3.5Å; I224-V227 PolarHBondContact O-N 2.82Å; I224-A228 VanDerWaalsContact O-CB 3.27Å; I224-A228 WeakPolarHBondContact O-CB 3.47Å; I224-A228 PolarHBondContact O-N 2.91Å
225V97.9Very high95.8Very high4 Ų433.3 Ų33.32%0.02421%0.206CC..Hα-helixtrans-59.9-46.6179.3168.80000110.8A221 E222 V227 N229 A237 I438A221-V225 WeakPolarHBondContact O-CB 3.49Å; A221-V225 VanDerWaalsContact O-CG2 3.32Å; A221-V225 WeakPolarHBondContact O-CG2 3.16Å; A221-V225 PolarHBondContact O-N 2.6Å; E222-V225 PolarHBondContact O-N 3.08Å; V225-V227 PolarHBondContact O-N 2.78Å; V225-N229 WeakPolarHBondContact CG1-ND2 3.42Å; V225-N229 WeakPolarHBondContact O-CB 3.45Å; V225-N229 PolarHBondContact O-N 3.16Å; V225-N229 PolarHBondContact O-ND2 3.06Å; V225-A237 HydrophobicContact CG2-CB 3.54Å; V225-I438 HydrophobicContact CB-CG2 4.42Å; V225-I438 HydrophobicContact CG2-CG2 4.16Å
226G95.8Very high95.9Very high29 Ų2927.6 Ų27.630%0.29918%0.18SC..Hα-helixtrans-59.9-47.7178.200000112.2M53 E222 I224 G230M53-G226 VanDerWaalsContact CE-O 3.25Å; M53-G226 WeakPolarHBondContact CE-O 3.44Å; E222-G226 PolarHBondContact O-N 2.83Å; I224-G226 PolarHBondContact O-N 3.5Å; G226-G230 PolarHBondContact O-N 2.87Å
227V96Very high96Very high0 Ų024.6 Ų24.60%016%0.164CC..Hα-helixtrans-70.6-41.1-174.7171.40000111.2M53 R56 V57 T60 T184 L188 A223 I224 V225 G230 A231M53-V227 HydrophobicContact CE-CB 4.47Å; M53-V227 HydrophobicContact CE-CG2 3.88Å; M53-V227 HydrophobicContact SD-CG2 4.06Å; R56-V227 HydrophobicContact CB-CG2 3.82Å; V57-V227 HydrophobicContact CG2-CG1 4.34Å; V57-V227 HydrophobicContact CG2-CG2 4.23Å; T60-V227 HydrophobicContact CG2-CG1 3.9Å; T60-V227 WeakPolarHBondContact OG1-CG1 3.23Å; T184-V227 HydrophobicContact CG2-CB 4.01Å; T184-V227 HydrophobicContact CG2-CG1 4.4Å; T184-V227 HydrophobicContact CG2-CG2 3.91Å; L188-V227 HydrophobicContact CD1-CB 3.73Å; L188-V227 HydrophobicContact CD1-CG1 3.58Å; A223-V227 WeakPolarHBondContact O-CB 3.42Å; A223-V227 VanDerWaalsContact O-CG2 3.29Å; A223-V227 WeakPolarHBondContact O-CG2 3.44Å; A223-V227 PolarHBondContact O-N 3.3Å; I224-V227 PolarHBondContact O-N 2.82Å; V225-V227 PolarHBondContact O-N 2.78Å; V227-G230 PolarHBondContact O-N 3.18Å; V227-A231 PolarHBondContact O-N 3.24Å
228A96.6Very high96.1Very high0 Ų024.8 Ų24.80%017%0.165CC..Hα-helixtrans-70.2-41.4-178.300000112.5L188 I224 G230 A231 G232 V233 T235L188-A228 HydrophobicContact CD1-CB 3.9Å; L188-A228 HydrophobicContact CD2-CB 3.88Å; I224-A228 VanDerWaalsContact O-CB 3.27Å; I224-A228 WeakPolarHBondContact O-CB 3.47Å; I224-A228 PolarHBondContact O-N 2.91Å; A228-G230 VanDerWaalsContact C-N 3.35Å; A228-A231 WeakPolarHBondContact O-CA 3.41Å; A228-A231 WeakPolarHBondContact O-CB 3.27Å; A228-A231 PolarHBondContact O-N 3.41Å; A228-A231 VanDerWaalsContact O-N 3.07Å; A228-G232 PolarHBondContact O-N 2.83Å; A228-V233 CarbonylContact C-O 3.48Å; A228-V233 PolarHBondContact O-N 3.4Å; A228-V233 VanDerWaalsContact O-N 3.1Å; A228-T235 HydrophobicContact CB-CG2 3.76Å; A228-T235 WeakPolarHBondContact CB-OG1 3.4Å
229N94.4Very high96.1Very high18 Ų1823 Ų2310%0.09616%0.157CC..Hα-helixtrans-66-38.7172.7-73.2-72.9000111.3V225 A231 G232 V233 R234 T235V225-N229 WeakPolarHBondContact CG1-ND2 3.42Å; V225-N229 WeakPolarHBondContact O-CB 3.45Å; V225-N229 PolarHBondContact O-N 3.16Å; V225-N229 PolarHBondContact O-ND2 3.06Å; N229-A231 PolarHBondContact O-N 3.33Å; N229-G232 PolarHBondContact O-N 3.24Å; N229-V233 WeakPolarHBondContact CA-O 3.23Å; N229-V233 PolarHBondContact N-O 3.01Å; N229-V233 PolarHBondContact OD1-O 2.96Å; N229-R234 WeakPolarHBondContact OD1-CA 3.29Å; N229-T235 PolarHBondContact ND2-O 2.9Å; N229-T235 PolarHBondContact OD1-N 3.16Å
230G88.5Confident96.2Very high57 Ų5721.4 Ų21.459%0.58814%0.144SC*.Hα-helixtrans-60.7-22.2171.100000114G226 V227 A228 G232G226-G230 PolarHBondContact O-N 2.87Å; V227-G230 PolarHBondContact O-N 3.18Å; A228-G230 VanDerWaalsContact C-N 3.35Å; G230-G232 VanDerWaalsContact C-N 3.32Å
231A87.5Confident96.3Very high28 Ų2821.4 Ų21.423%0.23114%0.144CC..THydrogen-bonded Turntrans-83.5-4.5173.300000114.2M61 L192 V227 A228 N229M61-A231 HydrophobicContact CE-CB 3.17Å; M61-A231 HydrophobicContact SD-CB 4.12Å; L192-A231 HydrophobicContact CD1-CB 3.68Å; L192-A231 HydrophobicContact CD2-CB 4.33Å; V227-A231 PolarHBondContact O-N 3.24Å; A228-A231 WeakPolarHBondContact O-CA 3.41Å; A228-A231 WeakPolarHBondContact O-CB 3.27Å; A228-A231 PolarHBondContact O-N 3.41Å; A228-A231 VanDerWaalsContact O-N 3.07Å; N229-A231 PolarHBondContact O-N 3.33Å
232G90.4Very high96.4Very high67 Ų6721.4 Ų21.469%0.69114%0.144SC*.THydrogen-bonded Turntrans86.910.5-175.400000115A228 N229 G230A228-G232 PolarHBondContact O-N 2.83Å; N229-G232 PolarHBondContact O-N 3.24Å; G230-G232 VanDerWaalsContact C-N 3.32Å
233V96.6Very high96.4Very high12 Ų1219.2 Ų19.27%0.07314%0.135CC..  trans-103.7119.4177.4-179.30000109.5L192 L196 L199 A228 N229 T235L192-V233 HydrophobicContact CD2-CB 3.88Å; L192-V233 HydrophobicContact CD2-CG1 4.36Å; L192-V233 HydrophobicContact CD2-CG2 3.47Å; L192-V233 VanDerWaalsContact CD2-CG2 3.47Å; L196-V233 HydrophobicContact CB-CG1 3.95Å; L196-V233 WeakPolarHBondContact O-CG2 3.5Å; L199-V233 HydrophobicContact CB-CG1 4.01Å; A228-V233 CarbonylContact C-O 3.48Å; A228-V233 PolarHBondContact O-N 3.4Å; A228-V233 VanDerWaalsContact O-N 3.1Å; N229-V233 WeakPolarHBondContact CA-O 3.23Å; N229-V233 PolarHBondContact N-O 3.01Å; N229-V233 PolarHBondContact OD1-O 2.96Å; V233-T235 PolarHBondContact O-N 3.49Å; V233-T235 PolarHBondContact O-OG1 3.03Å
234R98.1Very high96.5Very high122 Ų12219.5 Ų19.546%0.4614%0.136SC..EExtended strand (participates in β ladder)trans-63.6107.7-179.1-18058.856.1-163.3-5.1109.1D197 A198 L199 N229 E440D197-R234 PolarHBondContact O-N 2.79Å; D197-R234 VanDerWaalsContact O-N 3.1Å; A198-R234 CarbonylContact C-O 3.59Å; A198-R234 WeakPolarHBondContact CA-O 3.44Å; A198-R234 HydrophobicContact CB-CB 4.15Å; A198-R234 WeakPolarHBondContact CB-O 3.45Å; L199-R234 PolarHBondContact N-O 2.83Å; N229-R234 WeakPolarHBondContact OD1-CA 3.29Å; R234-E440 IonicContact CZ-OE2 3.45Å; R234-E440 IonicContact NH1-OE2 3.55Å; R234-E440 PolarHBondContact NH1-OE2 2.69Å; R234-E440 IonicContact NH2-OE2 3.01Å
235T98.5Very high96.6Very high1 Ų119.8 Ų19.81%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-126.2137.1-169.5-53.90000112.3L199 A228 N229 V233L199-T235 HydrophobicContact CB-CG2 4.06Å; L199-T235 HydrophobicContact CD2-CG2 4.11Å; L199-T235 HydrophobicContact CG-CG2 4.09Å; L199-T235 VanDerWaalsContact O-CA 3.25Å; L199-T235 WeakPolarHBondContact O-CA 3.42Å; A228-T235 HydrophobicContact CB-CG2 3.76Å; A228-T235 WeakPolarHBondContact CB-OG1 3.4Å; N229-T235 PolarHBondContact ND2-O 2.9Å; N229-T235 PolarHBondContact OD1-N 3.16Å; V233-T235 PolarHBondContact O-N 3.49Å; V233-T235 PolarHBondContact O-OG1 3.03Å
236T98.8Very high96.6Very high3 Ų319.6 Ų19.62%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-128.5161.6170.7670000109.3L199 V200 M201 E282 R437 I438L199-T236 PolarHBondContact O-N 3.11Å; V200-T236 WeakPolarHBondContact CA-O 3.44Å; M201-T236 PolarHBondContact N-O 3.23Å; T236-E282 VanDerWaalsContact CB-OE2 3.27Å; T236-E282 WeakPolarHBondContact CB-OE2 3.21Å; T236-E282 WeakPolarHBondContact CG2-OE2 3.46Å; T236-E282 PolarHBondContact OG1-OE2 3.26Å; T236-R437 VanDerWaalsContact CG2-NH2 3.34Å; T236-I438 CarbonylContact C-O 3.46Å; T236-I438 WeakPolarHBondContact CA-O 3.09Å
237A98.8Very high96.7Very high0 Ų018.3 Ų18.30%012%0.123CC..EExtended strand (participates in β ladder)trans-131.4144.7174.900000111.3M201 A221 V225 I438M201-A237 HydrophobicContact CB-CB 3.95Å; M201-A237 CarbonylContact O-C 3.6Å; M201-A237 WeakPolarHBondContact O-CA 3.26Å; A221-A237 HydrophobicContact CB-CB 3.85Å; V225-A237 HydrophobicContact CG2-CB 3.54Å; A237-I438 HydrophobicContact CB-CB 4.36Å; A237-I438 PolarHBondContact N-O 3.22Å; A237-I438 PolarHBondContact O-N 2.81Å
238L98.9Very high96.9Very high5 Ų518.7 Ų18.73%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-113.6135.3171.6-58.2-171.9000109.4V200 M201 V203 T240 A278 L279 E282 V434 R437V200-L238 HydrophobicContact CG2-CG 4.48Å; M201-L238 PolarHBondContact O-N 2.81Å; V203-L238 PolarHBondContact N-O 2.91Å; L238-T240 HydrophobicContact CB-CG2 3.9Å; L238-A278 HydrophobicContact CD1-CB 3.75Å; L238-L279 HydrophobicContact CB-CD2 4.41Å; L238-L279 HydrophobicContact CD1-CD2 3.83Å; L238-L279 HydrophobicContact CD1-CG 4.21Å; L238-L279 HydrophobicContact CG-CD2 4.27Å; L238-E282 HydrophobicContact CD1-CG 4.18Å; L238-E282 HydrophobicContact CD2-CG 4Å; L238-E282 HydrophobicContact CG-CG 4.19Å; L238-V434 HydrophobicContact CB-CG1 4.34Å; L238-V434 HydrophobicContact CD1-CG1 4.36Å; L238-V434 HydrophobicContact CD2-CG1 4.49Å; L238-R437 HydrophobicContact CD2-CB 3.76Å; L238-R437 HydrophobicContact CD2-CG 3.84Å
239L98.9Very high97Very high0 Ų018.8 Ų18.80%013%0.126CC..EExtended strand (participates in β ladder)trans-89.5113.9167.5-60.6-172.8000108.5V203 V205 Y214 E218 A221 V434 Y435 R436 I438V203-L239 HydrophobicContact CB-CD2 3.93Å; V203-L239 HydrophobicContact CG1-CD2 4.21Å; V203-L239 WeakPolarHBondContact O-CA 3.39Å; V205-L239 HydrophobicContact CG2-CB 3.97Å; V205-L239 HydrophobicContact CG2-CD2 4.44Å; Y214-L239 HydrophobicContact CE1-CD1 4.44Å; Y214-L239 HydrophobicContact CE2-CD1 3.95Å; E218-L239 HydrophobicContact CB-CD1 4.02Å; E218-L239 HydrophobicContact CG-CD1 4.34Å; A221-L239 HydrophobicContact CB-CD2 3.77Å; L239-V434 CarbonylContact O-C 3.39Å; L239-Y435 PolarHBondContact O-N 2.99Å; L239-R436 HydrophobicContact CD1-CB 4.41Å; L239-R436 PolarHBondContact N-O 2.64Å; L239-I438 HydrophobicContact CD1-CD1 4.18Å; L239-I438 HydrophobicContact CD2-CD1 4.17Å; L239-I438 HydrophobicContact CG-CD1 4.04Å
240T98.9Very high97.2Very high0 Ų018 Ų180%012%0.122CC..EExtended strand (participates in β ladder)trans-122.7144.8-172.174.70000113.2D202 V203 K204 V205 L238 V275 T433 V434D202-T240 WeakPolarHBondContact OD1-CB 3.48Å; D202-T240 VanDerWaalsContact OD1-CG2 3.24Å; D202-T240 WeakPolarHBondContact OD1-CG2 3.36Å; D202-T240 PolarHBondContact OD1-OG1 3.29Å; V203-T240 PolarHBondContact O-N 2.77Å; V203-T240 VanDerWaalsContact O-N 3.08Å; K204-T240 CarbonylContact C-O 3.39Å; K204-T240 WeakPolarHBondContact CA-O 3.5Å; K204-T240 WeakPolarHBondContact CD-OG1 3.12Å; K204-T240 PolarHBondContact NZ-OG1 2.88Å; V205-T240 PolarHBondContact N-O 2.83Å; L238-T240 HydrophobicContact CB-CG2 3.9Å; T240-V275 HydrophobicContact CG2-CG1 4.07Å; T240-T433 WeakPolarHBondContact CA-O 3.29Å; T240-V434 HydrophobicContact CG2-CG2 4.34Å
241D98.7Very high97.7Very high0 Ų015.5 Ų15.50%010%0.096CC..EExtended strand (participates in β ladder)trans-69.3129.6-175.4-180-74.4000112.6N243 R271 T431 T433 Y435D241-N243 PolarHBondContact OD1-N 2.72Å; D241-R271 PolarHBondContact O-NH2 2.91Å; D241-R271 IonicContact OD1-CZ 2.87Å; D241-R271 IonicContact OD1-NH2 3.19Å; D241-R271 PolarHBondContact OD1-NH2 3.36Å; D241-T431 PolarHBondContact OD2-OG1 3.32Å; D241-T433 PolarHBondContact N-O 3.46Å; D241-Y435 HydrophobicContact CB-CE2 3.82Å; D241-Y435 PolarHBondContact OD2-OH 3.36Å
242M98.5Very high98.2Very high0 Ų014.3 Ų14.30%09%0.086CC..  trans-134.331.4173.8-159.257.955.500110.4K204 V205 G208 Q244 L246 T356K204-M242 HydrophobicContact CB-CB 3.92Å; K204-M242 HydrophobicContact CB-CG 4.36Å; K204-M242 HydrophobicContact CD-CE 3.5Å; K204-M242 VanDerWaalsContact CD-CE 3.5Å; K204-M242 VanDerWaalsContact CE-CE 3.42Å; K204-M242 HydrophobicContact CG-CB 4.36Å; K204-M242 HydrophobicContact CG-CE 3.91Å; K204-M242 HydrophobicContact CG-CG 4.44Å; V205-M242 PolarHBondContact O-N 2.65Å; G208-M242 PolarHBondContact N-O 2.85Å; M242-Q244 PolarHBondContact O-N 2.88Å; M242-L246 HydrophobicContact CE-CB 4.13Å; M242-L246 HydrophobicContact CE-CD2 4.5Å; M242-T356 HydrophobicContact CG-CG2 4.38Å; M242-T356 PolarHBondContact O-OG1 3.04Å; M242-T356 HydrophobicContact SD-CG2 4.43Å
243N98.4Very high98.6Very high53 Ų5311.3 Ų11.328%0.2836%0.055SC..SBendtrans-76.7-10.4172.6-79.564.2000112.4V205 G206 S207 D241 M354 T356 L389V205-N243 PolarHBondContact O-OD1 3.18Å; G206-N243 WeakPolarHBondContact CA-OD1 3.25Å; S207-N243 PolarHBondContact OG-O 3.42Å; D241-N243 PolarHBondContact OD1-N 2.72Å; N243-M354 VanDerWaalsContact O-O 3.13Å; N243-T356 VanDerWaalsContact C-OG1 3.3Å; N243-T356 PolarHBondContact O-OG1 3.05Å; N243-L389 HydrophobicContact CB-CD1 4.44Å
244Q98.7Very high98.7Very high11 Ų1111 Ų115%0.0515%0.053CC..SBendtrans-149.1166.2172.963.8-169.9-66.700108.9M242 L246 M354 T356 R388 L389M242-Q244 PolarHBondContact O-N 2.88Å; Q244-L246 PolarHBondContact O-N 2.94Å; Q244-M354 VanDerWaalsContact CA-SD 3.58Å; Q244-M354 HydrophobicContact CB-CB 4.36Å; Q244-M354 HydrophobicContact CB-CE 4.2Å; Q244-M354 HydrophobicContact CB-SD 3.6Å; Q244-T356 VanDerWaalsContact CA-OG1 3.28Å; Q244-T356 WeakPolarHBondContact CA-OG1 3.5Å; Q244-T356 PolarHBondContact N-OG1 2.74Å; Q244-R388 VanDerWaalsContact OE1-CA 3.32Å; Q244-L389 HydrophobicContact CB-CD1 4.35Å; Q244-L389 HydrophobicContact CB-CG 4.06Å; Q244-L389 HydrophobicContact CG-CG 4.39Å
245V98.7Very high98.7Very high6 Ų65.4 Ų5.44%0.0363%0.032CC..  trans-52133.3173.2-175.50000109.7V90 A247 S249 A250 R271 M354 L359 M386V90-V245 HydrophobicContact CG1-CG1 4.49Å; V90-V245 HydrophobicContact CG1-CG2 4.05Å; V245-A247 WeakPolarHBondContact CG1-O 3.39Å; V245-S249 WeakPolarHBondContact CG1-O 3.47Å; V245-A250 HydrophobicContact CG1-CB 4.16Å; V245-R271 PolarHBondContact O-NH1 2.85Å; V245-M354 HydrophobicContact CG2-SD 4.1Å; V245-L359 HydrophobicContact CG2-CD1 3.86Å; V245-M386 HydrophobicContact CB-CG 4.49Å; V245-M386 HydrophobicContact CG2-CE 3.95Å; V245-M386 HydrophobicContact CG2-CG 4.37Å
246L98.7Very high98.8Very high0 Ų05.4 Ų5.40%03%0.032CC..SBendtrans-72.5-55.3-176.3179.460.2000111.7V90 T94 M242 Q244 R271 L272 V275V90-L246 PolarHBondContact O-N 2.77Å; V90-L246 VanDerWaalsContact O-N 3.16Å; T94-L246 HydrophobicContact CG2-CD2 3.67Å; M242-L246 HydrophobicContact CE-CB 4.13Å; M242-L246 HydrophobicContact CE-CD2 4.5Å; Q244-L246 PolarHBondContact O-N 2.94Å; L246-R271 HydrophobicContact CD1-CB 4.38Å; L246-L272 HydrophobicContact CD2-CD1 3.97Å; L246-L272 HydrophobicContact CG-CD1 3.87Å; L246-V275 HydrophobicContact CD1-CB 4.23Å; L246-V275 HydrophobicContact CD1-CG2 3.85Å; L246-V275 HydrophobicContact CD2-CB 4.3Å; L246-V275 HydrophobicContact CD2-CG1 4.11Å
247A98.8Very high98.8Very high2 Ų29.1 Ų9.12%0.0175%0.046CC..SBendtrans-72174.5170.500000112.2G91 V93 V245 E258 L272G91-A247 WeakPolarHBondContact O-CB 3.26Å; G91-A247 PolarHBondContact O-N 3.38Å; G91-A247 VanDerWaalsContact O-N 3.08Å; V93-A247 HydrophobicContact CG1-CB 4.04Å; V245-A247 WeakPolarHBondContact CG1-O 3.39Å; A247-E258 WeakPolarHBondContact CB-OE1 3.24Å; A247-L272 HydrophobicContact CB-CD2 4.01Å
248S98.9Very high98.8Very high8 Ų89.5 Ų9.56%0.0565%0.047CC..SBendtrans-81.70.1167.3-65.50000112.7E258 Y267 N269 T384 D385 M386S248-E258 WeakPolarHBondContact CA-OE2 3.38Å; S248-E258 PolarHBondContact N-OE1 3.2Å; S248-E258 PolarHBondContact N-OE2 2.87Å; S248-E258 VanDerWaalsContact N-OE2 3.14Å; S248-Y267 PolarHBondContact OG-OH 2.89Å; S248-N269 PolarHBondContact N-ND2 3.02Å; S248-N269 PolarHBondContact OG-ND2 2.72Å; S248-T384 CarbonylContact O-C 3.5Å; S248-T384 WeakPolarHBondContact O-CA 3.41Å; S248-D385 PolarHBondContact O-N 3.08Å; S248-M386 PolarHBondContact O-N 3.13Å; S248-M386 VanDerWaalsContact O-N 3.16Å
249S98.9Very high98.8Very high1 Ų19.3 Ų9.31%0.0075%0.046CC..  trans-134.5157.1179.458.90000112.6G91 V245 V254 E258 F383G91-S249 VanDerWaalsContact CA-O 3.28Å; G91-S249 WeakPolarHBondContact CA-O 3.21Å; V245-S249 WeakPolarHBondContact CG1-O 3.47Å; S249-V254 PolarHBondContact OG-O 2.72Å; S249-E258 VanDerWaalsContact CB-OE2 3.24Å; S249-E258 WeakPolarHBondContact CB-OE2 3.39Å; S249-E258 PolarHBondContact N-OE2 3.01Å; S249-E258 PolarHBondContact OG-OE2 3.2Å; S249-F383 CarbonylContact C-O 3.56Å; S249-F383 WeakPolarHBondContact CA-O 3.23Å; S249-F383 VanDerWaalsContact CB-O 3.26Å; S249-F383 WeakPolarHBondContact CB-O 3.3Å
250A98.8Very high98.8Very high1 Ų19.3 Ų9.31%0.0085%0.046CC..EExtended strand (participates in β ladder)trans-143.6117.5173.800000109.8V90 V245 E255 V363 G382 F383V90-A250 HydrophobicContact CG1-CB 3.65Å; V245-A250 HydrophobicContact CG1-CB 4.16Å; A250-E255 WeakPolarHBondContact CA-OE1 3.38Å; A250-V363 HydrophobicContact CB-CG2 4.29Å; A250-G382 CarbonylContact O-C 3.59Å; A250-G382 WeakPolarHBondContact O-CA 2.98Å; A250-F383 HydrophobicContact CB-CB 4.47Å; A250-F383 HydrophobicContact CB-CD2 4.13Å; A250-F383 PolarHBondContact N-O 2.94Å; A250-F383 PolarHBondContact O-N 3.34Å
251G98.4Very high98.8Very high5 Ų510.9 Ų10.95%0.0525%0.053CC..EExtended strand (participates in β ladder)trans155.3-154.3-173.800000111.9E255G251-E255 PolarHBondContact N-OE1 2.75Å; G251-E255 WeakPolarHBondContact O-CG 3.44Å
252N98.6Very high98.8Very high4 Ų411 Ų112%0.0215%0.054CC..SBendtrans-104.8-79.7179.9-57.7-67.9000111.4V254 E255 V256 G368 I377 Y379N252-V254 VanDerWaalsContact C-N 3.28Å; N252-V254 PolarHBondContact O-N 3.02Å; N252-E255 PolarHBondContact O-N 2.67Å; N252-E255 VanDerWaalsContact O-N 3.16Å; N252-V256 PolarHBondContact O-N 3.1Å; N252-V256 VanDerWaalsContact O-N 3.12Å; N252-G368 PolarHBondContact ND2-O 2.8Å; N252-I377 VanDerWaalsContact ND2-CG2 3.31Å; N252-I377 WeakPolarHBondContact ND2-CG2 3.3Å; N252-Y379 HydrophobicContact CB-CD1 3.83Å
253A98.8Very high98.8Very high4 Ų411 Ų113%0.0335%0.054CC..Hα-helixtrans-61.5-36.4-178.700000112.6S129 E255 V256 R257 L334 P335 Y379S129-A253 WeakPolarHBondContact OG-CA 3.48Å; A253-E255 VanDerWaalsContact C-N 3.29Å; A253-E255 PolarHBondContact O-N 3.09Å; A253-V256 PolarHBondContact O-N 2.77Å; A253-R257 PolarHBondContact O-N 3.45Å; A253-L334 HydrophobicContact CB-CB 4.36Å; A253-L334 HydrophobicContact CB-CD2 4.13Å; A253-P335 HydrophobicContact CB-CG 3.96Å; A253-Y379 WeakPolarHBondContact CB-O 3.41Å; A253-Y379 PolarHBondContact N-O 3.39Å
254V98.9Very high98.8Very high6 Ų611.6 Ų11.64%0.0366%0.06CC..Hα-helixtrans-62.4-35.8178.3-64.60000112.5S249 N252 E258 T384S249-V254 PolarHBondContact OG-O 2.72Å; N252-V254 VanDerWaalsContact C-N 3.28Å; N252-V254 PolarHBondContact O-N 3.02Å; V254-E258 PolarHBondContact O-N 3.41Å; V254-T384 HydrophobicContact CB-CG2 3.74Å; V254-T384 HydrophobicContact CG1-CG2 3.81Å
255E98.9Very high98.8Very high4 Ų413.1 Ų13.12%0.0198%0.078CC..Hα-helixtrans-76.5-37.4176.4-71.1-167.1-128.700111.1G91 V93 K126 A250 G251 N252 A253 R257 E258 A259G91-E255 WeakPolarHBondContact CA-OE2 3.16Å; V93-E255 HydrophobicContact CB-CB 4.27Å; V93-E255 WeakPolarHBondContact CB-OE2 3.32Å; V93-E255 HydrophobicContact CG2-CB 3.89Å; V93-E255 WeakPolarHBondContact CG2-O 3.32Å; K126-E255 HydrophobicContact CD-CB 4.2Å; K126-E255 VanDerWaalsContact CE-OE2 3.27Å; K126-E255 WeakPolarHBondContact CE-OE2 3.24Å; K126-E255 IonicContact NZ-OE1 3.9Å; K126-E255 IonicContact NZ-OE2 2.94Å; K126-E255 PolarHBondContact NZ-OE2 3.27Å; A250-E255 WeakPolarHBondContact CA-OE1 3.38Å; G251-E255 PolarHBondContact N-OE1 2.75Å; G251-E255 WeakPolarHBondContact O-CG 3.44Å; N252-E255 PolarHBondContact O-N 2.67Å; N252-E255 VanDerWaalsContact O-N 3.16Å; A253-E255 VanDerWaalsContact C-N 3.29Å; A253-E255 PolarHBondContact O-N 3.09Å; E255-R257 VanDerWaalsContact C-N 3.31Å; E255-R257 PolarHBondContact O-N 3.07Å; E255-E258 PolarHBondContact O-N 3.4Å; E255-A259 PolarHBondContact O-N 2.73Å
256V98.9Very high98.8Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-60.9-41.5173178.10000111.3L96 K126 S129 I130 N252 A253 E258 A259 V260 F326 L334L96-V256 HydrophobicContact CD1-CG2 4.01Å; K126-V256 HydrophobicContact CB-CG2 4.09Å; K126-V256 WeakPolarHBondContact O-CG2 3.48Å; S129-V256 WeakPolarHBondContact OG-CG2 3.37Å; I130-V256 HydrophobicContact CD1-CG1 3.96Å; I130-V256 HydrophobicContact CG1-CG1 3.98Å; N252-V256 PolarHBondContact O-N 3.1Å; N252-V256 VanDerWaalsContact O-N 3.12Å; A253-V256 PolarHBondContact O-N 2.77Å; V256-E258 PolarHBondContact O-N 3.37Å; V256-A259 PolarHBondContact O-N 3.02Å; V256-V260 PolarHBondContact O-N 3.4Å; V256-V260 VanDerWaalsContact O-N 3.11Å; V256-F326 HydrophobicContact CG1-CE1 3.89Å; V256-F326 HydrophobicContact CG1-CZ 3.72Å; V256-L334 HydrophobicContact CB-CD1 4.29Å; V256-L334 HydrophobicContact CB-CD2 4.18Å; V256-L334 HydrophobicContact CG1-CD1 4.18Å; V256-L334 HydrophobicContact CG1-CD2 4.04Å
257R98.9Very high98.8Very high82 Ų8223 Ų2331%0.30912%0.12SC..Hα-helixtrans-57.7-48.3172.9171.5170.563.7-166.1-4.7111.3A253 E255 A259 V260 Q261 Y330 L334A253-R257 PolarHBondContact O-N 3.45Å; E255-R257 VanDerWaalsContact C-N 3.31Å; E255-R257 PolarHBondContact O-N 3.07Å; R257-A259 VanDerWaalsContact C-N 3.29Å; R257-A259 PolarHBondContact O-N 3.33Å; R257-V260 PolarHBondContact O-N 2.96Å; R257-Q261 HydrophobicContact CG-CG 4.41Å; R257-Q261 WeakPolarHBondContact O-CG 3.25Å; R257-Q261 PolarHBondContact O-N 2.99Å; R257-Y330 HydrophobicContact CB-CD2 4.4Å; R257-Y330 HydrophobicContact CB-CE2 4.35Å; R257-Y330 HydrophobicContact CG-CD2 4.14Å; R257-Y330 HydrophobicContact CG-CE2 3.61Å; R257-L334 HydrophobicContact CB-CD1 3.91Å
258E98.9Very high98.8Very high8 Ų825.9 Ų25.94%0.03713%0.131CC..Hα-helixtrans-62.6-36.6179.5-172.2167.7160.900111.9A247 S248 S249 V254 E255 V256 V260 Q261 F262A247-E258 WeakPolarHBondContact CB-OE1 3.24Å; S248-E258 WeakPolarHBondContact CA-OE2 3.38Å; S248-E258 PolarHBondContact N-OE1 3.2Å; S248-E258 PolarHBondContact N-OE2 2.87Å; S248-E258 VanDerWaalsContact N-OE2 3.14Å; S249-E258 VanDerWaalsContact CB-OE2 3.24Å; S249-E258 WeakPolarHBondContact CB-OE2 3.39Å; S249-E258 PolarHBondContact N-OE2 3.01Å; S249-E258 PolarHBondContact OG-OE2 3.2Å; V254-E258 PolarHBondContact O-N 3.41Å; E255-E258 PolarHBondContact O-N 3.4Å; V256-E258 PolarHBondContact O-N 3.37Å; E258-V260 PolarHBondContact O-N 2.88Å; E258-Q261 PolarHBondContact O-N 2.96Å; E258-F262 VanDerWaalsContact O-CB 3.27Å; E258-F262 WeakPolarHBondContact O-CB 3.38Å; E258-F262 PolarHBondContact O-N 3.1Å
259A98.9Very high98.8Very high0 Ų025.5 Ų25.50%013%0.129CC..Hα-helixtrans-62.1-42.2174.600000112.7V93 L96 M97 E255 V256 R257 F262 L263V93-A259 HydrophobicContact CG2-CB 4.06Å; L96-A259 HydrophobicContact CB-CB 3.63Å; L96-A259 HydrophobicContact CD1-CB 3.91Å; L96-A259 HydrophobicContact CG-CB 4.38Å; M97-A259 HydrophobicContact CG-CB 4.19Å; M97-A259 HydrophobicContact SD-CB 3.64Å; E255-A259 PolarHBondContact O-N 2.73Å; V256-A259 PolarHBondContact O-N 3.02Å; R257-A259 VanDerWaalsContact C-N 3.29Å; R257-A259 PolarHBondContact O-N 3.33Å; A259-F262 PolarHBondContact O-N 2.93Å; A259-L263 VanDerWaalsContact O-CG 3.3Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.33Å
260V98.9Very high98.8Very high1 Ų128.9 Ų28.91%0.00615%0.15CC..Hα-helixtrans-66.7-44.7176.4178.10000111.1V256 R257 E258 F262 L263 T264 F313 F326 V327 Y330V256-V260 PolarHBondContact O-N 3.4Å; V256-V260 VanDerWaalsContact O-N 3.11Å; R257-V260 PolarHBondContact O-N 2.96Å; E258-V260 PolarHBondContact O-N 2.88Å; V260-F262 VanDerWaalsContact C-N 3.28Å; V260-F262 PolarHBondContact O-N 2.8Å; V260-L263 PolarHBondContact O-N 2.97Å; V260-T264 HydrophobicContact CG1-CG2 4.21Å; V260-T264 WeakPolarHBondContact O-CB 3.45Å; V260-T264 WeakPolarHBondContact O-CG2 3.32Å; V260-T264 PolarHBondContact O-N 3.36Å; V260-T264 PolarHBondContact O-OG1 3.2Å; V260-F313 HydrophobicContact CG2-CD1 4.35Å; V260-F313 HydrophobicContact CG2-CE1 3.69Å; V260-F313 HydrophobicContact CG2-CZ 4.34Å; V260-F326 HydrophobicContact CG2-CD1 4.44Å; V260-F326 HydrophobicContact CG2-CE1 3.88Å; V260-V327 HydrophobicContact CG1-CG1 4.26Å; V260-Y330 HydrophobicContact CB-CD1 4.14Å; V260-Y330 HydrophobicContact CB-CE1 4.46Å; V260-Y330 HydrophobicContact CG1-CD1 3.51Å; V260-Y330 HydrophobicContact CG1-CE1 3.81Å; V260-Y330 HydrophobicContact CG1-CG 4.29Å
261Q98.9Very high98.8Very high32 Ų3230 Ų3015%0.1515%0.154CC..Hα-helixtrans-62.4-36.2177.1-70.5178.8-34.600112.1R257 E258 T264 G265 E266 Y267 Y330R257-Q261 HydrophobicContact CG-CG 4.41Å; R257-Q261 WeakPolarHBondContact O-CG 3.25Å; R257-Q261 PolarHBondContact O-N 2.99Å; E258-Q261 PolarHBondContact O-N 2.96Å; Q261-T264 WeakPolarHBondContact CA-OG1 3.43Å; Q261-T264 PolarHBondContact O-OG1 2.79Å; Q261-G265 PolarHBondContact O-N 2.86Å; Q261-E266 HydrophobicContact CB-CB 4.13Å; Q261-E266 HydrophobicContact CG-CB 4.28Å; Q261-E266 HydrophobicContact CG-CG 4.38Å; Q261-E266 PolarHBondContact NE2-OE1 3.12Å; Q261-E266 PolarHBondContact O-N 3.04Å; Q261-Y267 CarbonylContact C-O 3.54Å; Q261-Y267 PolarHBondContact O-N 3.24Å; Q261-Y330 PolarHBondContact NE2-OH 3.39Å
262F98.9Very high98.8Very high2 Ų229.7 Ų29.71%0.00915%0.152CC..Hα-helixtrans-62.6-49.7174-175.4-75000111.5M97 M101 E258 A259 V260 G265 Y267 R268 L272 F273 T276 L304M97-F262 HydrophobicContact CB-CD1 3.96Å; M97-F262 HydrophobicContact CB-CE1 4.17Å; M97-F262 HydrophobicContact CE-CD1 4.4Å; M97-F262 HydrophobicContact CE-CD2 4.24Å; M97-F262 HydrophobicContact CE-CE2 4.45Å; M97-F262 HydrophobicContact CE-CG 4.22Å; M97-F262 HydrophobicContact CG-CB 4.07Å; M97-F262 HydrophobicContact CG-CD1 3.6Å; M97-F262 HydrophobicContact CG-CE1 4.26Å; M97-F262 HydrophobicContact CG-CG 3.94Å; M101-F262 HydrophobicContact SD-CE1 4.23Å; E258-F262 VanDerWaalsContact O-CB 3.27Å; E258-F262 WeakPolarHBondContact O-CB 3.38Å; E258-F262 PolarHBondContact O-N 3.1Å; A259-F262 PolarHBondContact O-N 2.93Å; V260-F262 VanDerWaalsContact C-N 3.28Å; V260-F262 PolarHBondContact O-N 2.8Å; F262-G265 PolarHBondContact O-N 3.03Å; F262-Y267 VanDerWaalsContact CA-O 3.23Å; F262-Y267 WeakPolarHBondContact CA-O 3.38Å; F262-Y267 PolarHBondContact N-O 2.98Å; F262-R268 HydrophobicContact CB-CG 4.48Å; F262-R268 HydrophobicContact CD2-CB 4.05Å; F262-R268 HydrophobicContact CD2-CG 3.78Å; F262-R268 HydrophobicContact CE2-CB 4.2Å; F262-R268 HydrophobicContact CE2-CG 4.1Å; F262-R268 HydrophobicContact CG-CG 4.03Å; F262-R268 PolarHBondContact O-NE 3.47Å; F262-R268 PolarHBondContact O-NH2 3.15Å; F262-L272 HydrophobicContact CD2-CD2 4.2Å; F262-L272 HydrophobicContact CE2-CG 4.42Å; F262-F273 HydrophobicContact CE1-CD2 4.49Å; F262-F273 HydrophobicContact CE2-CB 3.87Å; F262-F273 AromaticContact CE2-CD2 3.92Å; F262-F273 HydrophobicContact CE2-CD2 3.92Å; F262-F273 HydrophobicContact CE2-CG 4.38Å; F262-F273 HydrophobicContact CZ-CB 4.19Å; F262-F273 AromaticContact CZ-CD2 3.55Å; F262-F273 HydrophobicContact CZ-CD2 3.55Å; F262-F273 HydrophobicContact CZ-CE2 4.38Å; F262-F273 HydrophobicContact CZ-CG 4.27Å; F262-T276 HydrophobicContact CZ-CG2 4.39Å; F262-L304 HydrophobicContact CD1-CD2 4.37Å; F262-L304 HydrophobicContact CE1-CD1 4.33Å; F262-L304 HydrophobicContact CE1-CD2 4.06Å
263L98.9Very high98.8Very high1 Ų131.6 Ų31.61%0.00516%0.16CC..Hα-helixtrans-67.3-37.5-177.2-73.8167000112.4M97 M101 A259 V260 G265 L304 A309 A310 F313M97-L263 HydrophobicContact CB-CD2 3.93Å; M97-L263 HydrophobicContact CB-CG 4.14Å; M97-L263 HydrophobicContact CG-CD1 4.34Å; M97-L263 HydrophobicContact CG-CD2 4.27Å; M97-L263 HydrophobicContact CG-CG 3.91Å; M101-L263 HydrophobicContact CG-CD2 4.39Å; A259-L263 VanDerWaalsContact O-CG 3.3Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.33Å; V260-L263 PolarHBondContact O-N 2.97Å; L263-G265 VanDerWaalsContact C-N 3.32Å; L263-L304 HydrophobicContact CD2-CD2 4.22Å; L263-A309 HydrophobicContact CD2-CB 3.73Å; L263-A310 HydrophobicContact CB-CB 4.04Å; L263-F313 HydrophobicContact CD1-CB 3.64Å; L263-F313 HydrophobicContact CD1-CD1 4.29Å; L263-F313 HydrophobicContact CD1-CD2 3.93Å; L263-F313 HydrophobicContact CD1-CG 3.69Å
264T98.8Very high98.8Very high66 Ų6634.6 Ų34.641%0.40518%0.175SC..Hα-helixtrans-80.5-11.9178.154.90000113.5V260 Q261 E266 A310 V327V260-T264 HydrophobicContact CG1-CG2 4.21Å; V260-T264 WeakPolarHBondContact O-CB 3.45Å; V260-T264 WeakPolarHBondContact O-CG2 3.32Å; V260-T264 PolarHBondContact O-N 3.36Å; V260-T264 PolarHBondContact O-OG1 3.2Å; Q261-T264 WeakPolarHBondContact CA-OG1 3.43Å; Q261-T264 PolarHBondContact O-OG1 2.79Å; T264-E266 VanDerWaalsContact C-N 3.33Å; T264-A310 HydrophobicContact CG2-CB 4.31Å; T264-V327 HydrophobicContact CG2-CG1 3.84Å
265G98.6Very high98.8Very high42 Ų4234.3 Ų34.343%0.43317%0.174SC..THydrogen-bonded Turntrans80.69.5-179.500000114.4Q261 F262 L263Q261-G265 PolarHBondContact O-N 2.86Å; F262-G265 PolarHBondContact O-N 3.03Å; L263-G265 VanDerWaalsContact C-N 3.32Å
266E98.6Very high98.8Very high121 Ų12134.1 Ų34.157%0.56517%0.173SC*.SBendtrans-63.2-45.5174.8-177.5-177.7147.900111.5Q261 T264 Y330Q261-E266 HydrophobicContact CB-CB 4.13Å; Q261-E266 HydrophobicContact CG-CB 4.28Å; Q261-E266 HydrophobicContact CG-CG 4.38Å; Q261-E266 PolarHBondContact NE2-OE1 3.12Å; Q261-E266 PolarHBondContact O-N 3.04Å; T264-E266 VanDerWaalsContact C-N 3.33Å; E266-Y330 PolarHBondContact OE2-OH 2.95Å
267Y98.8Very high98.8Very high92 Ų9234.3 Ų34.336%0.36117%0.174SC..  trans-152.6134.8178.4176.8-96.6000110.8S248 Q261 F262 N269S248-Y267 PolarHBondContact OG-OH 2.89Å; Q261-Y267 CarbonylContact C-O 3.54Å; Q261-Y267 PolarHBondContact O-N 3.24Å; F262-Y267 VanDerWaalsContact CA-O 3.23Å; F262-Y267 WeakPolarHBondContact CA-O 3.38Å; F262-Y267 PolarHBondContact N-O 2.98Å; Y267-N269 HydrophobicContact CE1-CB 4.09Å
268R98.8Very high98.8Very high63 Ų6331 Ų3124%0.23816%0.164CC..  trans-133111.4175.8-66.7174.6178.71593.9109.1F262 D305F262-R268 HydrophobicContact CB-CG 4.48Å; F262-R268 HydrophobicContact CD2-CB 4.05Å; F262-R268 HydrophobicContact CD2-CG 3.78Å; F262-R268 HydrophobicContact CE2-CB 4.2Å; F262-R268 HydrophobicContact CE2-CG 4.1Å; F262-R268 HydrophobicContact CG-CG 4.03Å; F262-R268 PolarHBondContact O-NE 3.47Å; F262-R268 PolarHBondContact O-NH2 3.15Å; R268-D305 IonicContact NH1-OD1 3.72Å
269N98.8Very high98.8Very high1 Ų130.7 Ų30.71%0.00516%0.162CC..  trans-60.9127.8168.8174.5-48.7000108.5S248 Y267 R271 L272 F273S248-N269 PolarHBondContact N-ND2 3.02Å; S248-N269 PolarHBondContact OG-ND2 2.72Å; Y267-N269 HydrophobicContact CE1-CB 4.09Å; N269-R271 PolarHBondContact O-N 3.44Å; N269-R271 PolarHBondContact OD1-N 2.88Å; N269-L272 HydrophobicContact CB-CB 3.88Å; N269-L272 PolarHBondContact O-N 3.41Å; N269-L272 PolarHBondContact OD1-N 2.97Å; N269-L272 VanDerWaalsContact OD1-N 3.14Å; N269-F273 WeakPolarHBondContact O-CB 2.98Å; N269-F273 PolarHBondContact O-N 3.33Å
270P98.7Very high98.8Very high71 Ų7130.7 Ų30.746%0.46116%0.162SC..Hα-helixtrans-64.2-37.9-173.224-33.7000113F273 D274P270-F273 WeakPolarHBondContact O-CB 3.4Å; P270-F273 PolarHBondContact O-N 3.45Å; P270-D274 PolarHBondContact O-N 2.71Å
271R98.8Very high98.8Very high24 Ų2430.7 Ų30.79%0.09116%0.163CC..Hα-helixtrans-70.3-43.2178.4-65.2-175.756-96.6-0.1111.5D241 V245 L246 N269 F273 D274 V275 T433D241-R271 PolarHBondContact O-NH2 2.91Å; D241-R271 IonicContact OD1-CZ 2.87Å; D241-R271 IonicContact OD1-NH2 3.19Å; D241-R271 PolarHBondContact OD1-NH2 3.36Å; V245-R271 PolarHBondContact O-NH1 2.85Å; L246-R271 HydrophobicContact CD1-CB 4.38Å; N269-R271 PolarHBondContact O-N 3.44Å; N269-R271 PolarHBondContact OD1-N 2.88Å; R271-F273 VanDerWaalsContact C-N 3.27Å; R271-F273 PolarHBondContact O-N 3.36Å; R271-D274 PolarHBondContact O-N 3.15Å; R271-V275 PolarHBondContact O-N 2.82Å; R271-T433 HydrophobicContact CB-CG2 3.87Å; R271-T433 HydrophobicContact CG-CG2 3.69Å
272L98.9Very high98.8Very high0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-59.9-41.4174-18063.2000111V93 T94 M97 L246 A247 F262 N269 T276V93-L272 HydrophobicContact CG1-CD1 3.88Å; V93-L272 HydrophobicContact CG1-CD2 3.65Å; V93-L272 HydrophobicContact CG1-CG 4.41Å; T94-L272 HydrophobicContact CG2-CD1 3.89Å; M97-L272 HydrophobicContact CE-CD1 3.99Å; M97-L272 HydrophobicContact CE-CD2 3.83Å; M97-L272 HydrophobicContact CE-CG 3.91Å; L246-L272 HydrophobicContact CD2-CD1 3.97Å; L246-L272 HydrophobicContact CG-CD1 3.87Å; A247-L272 HydrophobicContact CB-CD2 4.01Å; F262-L272 HydrophobicContact CD2-CD2 4.2Å; F262-L272 HydrophobicContact CE2-CG 4.42Å; N269-L272 HydrophobicContact CB-CB 3.88Å; N269-L272 PolarHBondContact O-N 3.41Å; N269-L272 PolarHBondContact OD1-N 2.97Å; N269-L272 VanDerWaalsContact OD1-N 3.14Å; L272-T276 WeakPolarHBondContact O-CB 3.43Å; L272-T276 PolarHBondContact O-N 3.15Å; L272-T276 PolarHBondContact O-OG1 3.17Å
273F98.9Very high98.8Very high43 Ų4329.8 Ų29.819%0.18916%0.158CC..Hα-helixtrans-60.4-50.2177.1-179.9-87.7000111.7F262 N269 P270 R271 V275 T276 M277 L304F262-F273 HydrophobicContact CE1-CD2 4.49Å; F262-F273 HydrophobicContact CE2-CB 3.87Å; F262-F273 AromaticContact CE2-CD2 3.92Å; F262-F273 HydrophobicContact CE2-CD2 3.92Å; F262-F273 HydrophobicContact CE2-CG 4.38Å; F262-F273 HydrophobicContact CZ-CB 4.19Å; F262-F273 AromaticContact CZ-CD2 3.55Å; F262-F273 HydrophobicContact CZ-CD2 3.55Å; F262-F273 HydrophobicContact CZ-CE2 4.38Å; F262-F273 HydrophobicContact CZ-CG 4.27Å; N269-F273 WeakPolarHBondContact O-CB 2.98Å; N269-F273 PolarHBondContact O-N 3.33Å; P270-F273 WeakPolarHBondContact O-CB 3.4Å; P270-F273 PolarHBondContact O-N 3.45Å; R271-F273 VanDerWaalsContact C-N 3.27Å; R271-F273 PolarHBondContact O-N 3.36Å; F273-V275 PolarHBondContact O-N 2.69Å; F273-T276 PolarHBondContact O-N 2.92Å; F273-M277 HydrophobicContact CE1-CB 4.41Å; F273-M277 HydrophobicContact CE1-CE 4.31Å; F273-M277 HydrophobicContact CE2-CE 4.03Å; F273-M277 HydrophobicContact CZ-CE 3.61Å; F273-M277 VanDerWaalsContact O-CB 3.24Å; F273-M277 WeakPolarHBondContact O-CB 3.3Å; F273-M277 PolarHBondContact O-N 2.8Å; F273-L304 HydrophobicContact CE2-CD1 4.04Å
274D98.8Very high98.8Very high68 Ų6829.7 Ų29.736%0.36416%0.158SC..Hα-helixtrans-58.8-48.6-178.5-73.4-15.7000112.2P270 R271 M277 A278P270-D274 PolarHBondContact O-N 2.71Å; R271-D274 PolarHBondContact O-N 3.15Å; D274-M277 PolarHBondContact O-N 2.94Å; D274-A278 VanDerWaalsContact O-CB 3.27Å; D274-A278 WeakPolarHBondContact O-CB 3.46Å; D274-A278 PolarHBondContact O-N 3.17Å
275V98.9Very high98.8Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-65.7-45179.3175.10000110.9T94 T240 L246 R271 F273 M277 A278 L279 V434T94-V275 HydrophobicContact CG2-CG1 4.15Å; T240-V275 HydrophobicContact CG2-CG1 4.07Å; L246-V275 HydrophobicContact CD1-CB 4.23Å; L246-V275 HydrophobicContact CD1-CG2 3.85Å; L246-V275 HydrophobicContact CD2-CB 4.3Å; L246-V275 HydrophobicContact CD2-CG1 4.11Å; R271-V275 PolarHBondContact O-N 2.82Å; F273-V275 PolarHBondContact O-N 2.69Å; V275-M277 PolarHBondContact O-N 2.87Å; V275-A278 PolarHBondContact O-N 2.94Å; V275-L279 HydrophobicContact CG1-CD1 3.86Å; V275-L279 HydrophobicContact CG1-CG 4.41Å; V275-L279 VanDerWaalsContact O-CG 3.28Å; V275-L279 WeakPolarHBondContact O-CG 3.5Å; V275-L279 PolarHBondContact O-N 3.43Å; V275-V434 HydrophobicContact CG2-CG2 4.25Å
276T98.9Very high98.8Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-60.7-46178.9-58.10000111.1M97 L98 M101 F262 L272 F273 C280M97-T276 HydrophobicContact CB-CG2 4.24Å; M97-T276 HydrophobicContact CE-CG2 4.22Å; L98-T276 HydrophobicContact CB-CG2 4.48Å; M101-T276 HydrophobicContact CE-CG2 4.39Å; M101-T276 HydrophobicContact SD-CG2 3.94Å; F262-T276 HydrophobicContact CZ-CG2 4.39Å; L272-T276 WeakPolarHBondContact O-CB 3.43Å; L272-T276 PolarHBondContact O-N 3.15Å; L272-T276 PolarHBondContact O-OG1 3.17Å; F273-T276 PolarHBondContact O-N 2.92Å; T276-C280 PolarHBondContact O-N 3.43Å; T276-C280 VanDerWaalsContact O-N 3.09Å; T276-C280 PolarHBondContact O-SG 3.43Å
277M98.9Very high98.8Very high4 Ų422.3 Ų22.32%0.0211%0.113CC..Hα-helixtrans-63.9-46.3178.9-17460.768.900111.1M101 F273 D274 V275 L279 C280 V281 R297 L300 L304M101-M277 HydrophobicContact CE-CE 4.19Å; F273-M277 HydrophobicContact CE1-CB 4.41Å; F273-M277 HydrophobicContact CE1-CE 4.31Å; F273-M277 HydrophobicContact CE2-CE 4.03Å; F273-M277 HydrophobicContact CZ-CE 3.61Å; F273-M277 VanDerWaalsContact O-CB 3.24Å; F273-M277 WeakPolarHBondContact O-CB 3.3Å; F273-M277 PolarHBondContact O-N 2.8Å; D274-M277 PolarHBondContact O-N 2.94Å; V275-M277 PolarHBondContact O-N 2.87Å; M277-L279 PolarHBondContact O-N 2.9Å; M277-C280 PolarHBondContact O-N 3.08Å; M277-V281 WeakPolarHBondContact O-CG2 3.17Å; M277-V281 PolarHBondContact O-N 3.25Å; M277-R297 HydrophobicContact CG-CG 4.28Å; M277-R297 HydrophobicContact SD-CG 4.43Å; M277-L300 HydrophobicContact CE-CB 3.98Å; M277-L300 HydrophobicContact SD-CB 3.5Å; M277-L300 WeakPolarHBondContact SD-CB 3.39Å; M277-L300 HydrophobicContact SD-CD1 3.61Å; M277-L300 HydrophobicContact SD-CG 4.19Å; M277-L304 HydrophobicContact CE-CD1 3.99Å
278A98.9Very high98.8Very high13 Ų1327 Ų2711%0.10714%0.135CC..Hα-helixtrans-60.2-44.6179.600000112.3L238 D274 V275 C280 V281 E282 V434L238-A278 HydrophobicContact CD1-CB 3.75Å; D274-A278 VanDerWaalsContact O-CB 3.27Å; D274-A278 WeakPolarHBondContact O-CB 3.46Å; D274-A278 PolarHBondContact O-N 3.17Å; V275-A278 PolarHBondContact O-N 2.94Å; A278-C280 PolarHBondContact O-N 3.33Å; A278-V281 PolarHBondContact O-N 2.78Å; A278-E282 PolarHBondContact O-N 3.2Å; A278-V434 HydrophobicContact CB-CG2 3.96Å
279L98.9Very high98.8Very high0 Ų025.6 Ų25.60%013%0.132CC..Hα-helixtrans-63-42.7176.6-68.3167.1000112K84 T94 L98 V200 D202 L238 V275 M277 V281 E282 M283K84-L279 HydrophobicContact CD-CD1 4.49Å; K84-L279 HydrophobicContact CG-CD1 4.47Å; K84-L279 HydrophobicContact CG-CD2 4.41Å; T94-L279 HydrophobicContact CG2-CD1 4.41Å; L98-L279 HydrophobicContact CD1-CB 3.68Å; L98-L279 HydrophobicContact CD1-CD1 4.38Å; V200-L279 HydrophobicContact CG1-CB 4.49Å; V200-L279 HydrophobicContact CG1-CD2 4.27Å; V200-L279 HydrophobicContact CG2-CD2 3.88Å; D202-L279 HydrophobicContact CB-CD1 4.23Å; D202-L279 HydrophobicContact CB-CD2 3.72Å; D202-L279 WeakPolarHBondContact OD2-CD1 3.15Å; L238-L279 HydrophobicContact CB-CD2 4.41Å; L238-L279 HydrophobicContact CD1-CD2 3.83Å; L238-L279 HydrophobicContact CD1-CG 4.21Å; L238-L279 HydrophobicContact CG-CD2 4.27Å; V275-L279 HydrophobicContact CG1-CD1 3.86Å; V275-L279 HydrophobicContact CG1-CG 4.41Å; V275-L279 VanDerWaalsContact O-CG 3.28Å; V275-L279 WeakPolarHBondContact O-CG 3.5Å; V275-L279 PolarHBondContact O-N 3.43Å; M277-L279 PolarHBondContact O-N 2.9Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.33Å; L279-E282 PolarHBondContact O-N 3.42Å; L279-M283 WeakPolarHBondContact O-CG 3.45Å; L279-M283 PolarHBondContact O-N 3.19Å
280C98.9Very high98.8Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-64.3-38.2177.5-67.50000112.2M101 V102 T276 M277 A278 E282 M283 L284 L300M101-C280 HydrophobicContact CE-CB 4.47Å; V102-C280 HydrophobicContact CG2-CB 4.05Å; T276-C280 PolarHBondContact O-N 3.43Å; T276-C280 VanDerWaalsContact O-N 3.09Å; T276-C280 PolarHBondContact O-SG 3.43Å; M277-C280 PolarHBondContact O-N 3.08Å; A278-C280 PolarHBondContact O-N 3.33Å; C280-E282 VanDerWaalsContact C-N 3.32Å; C280-E282 PolarHBondContact O-N 3.22Å; C280-M283 PolarHBondContact O-N 3.1Å; C280-L284 WeakPolarHBondContact O-CG 3.47Å; C280-L284 PolarHBondContact O-N 2.94Å; C280-L300 HydrophobicContact CB-CD1 3.39Å; C280-L300 HydrophobicContact CB-CD2 3.6Å; C280-L300 HydrophobicContact CB-CG 4.13Å
281V98.9Very high98.8Very high2 Ų229.8 Ų29.81%0.01214%0.144CC..Hα-helixtrans-58.2-46.2176.21660000110.7M277 A278 L279 M283 L284 I285 D293 A296 R297 L300M277-V281 WeakPolarHBondContact O-CG2 3.17Å; M277-V281 PolarHBondContact O-N 3.25Å; A278-V281 PolarHBondContact O-N 2.78Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.33Å; V281-M283 VanDerWaalsContact C-N 3.3Å; V281-M283 PolarHBondContact O-N 3.07Å; V281-L284 PolarHBondContact O-N 3.4Å; V281-I285 HydrophobicContact CG1-CD1 3.66Å; V281-I285 HydrophobicContact CG1-CG1 4.35Å; V281-I285 WeakPolarHBondContact O-CG1 3.34Å; V281-I285 PolarHBondContact O-N 3.15Å; V281-D293 HydrophobicContact CG1-CB 4.3Å; V281-A296 HydrophobicContact CB-CB 4.14Å; V281-A296 HydrophobicContact CG1-CB 3.85Å; V281-A296 HydrophobicContact CG2-CB 3.88Å; V281-R297 HydrophobicContact CG2-CG 3.68Å; V281-L300 HydrophobicContact CG2-CD1 3.88Å
282E98.9Very high98.8Very high13 Ų1331.6 Ų31.66%0.06116%0.156CC..Hα-helixtrans-60.1-39.6177.1-68.5-56.2126.700112.5V200 T236 L238 A278 L279 C280 S286 R437V200-E282 HydrophobicContact CB-CB 3.97Å; V200-E282 HydrophobicContact CG2-CB 3.58Å; V200-E282 HydrophobicContact CG2-CG 3.98Å; T236-E282 VanDerWaalsContact CB-OE2 3.27Å; T236-E282 WeakPolarHBondContact CB-OE2 3.21Å; T236-E282 WeakPolarHBondContact CG2-OE2 3.46Å; T236-E282 PolarHBondContact OG1-OE2 3.26Å; L238-E282 HydrophobicContact CD1-CG 4.18Å; L238-E282 HydrophobicContact CD2-CG 4Å; L238-E282 HydrophobicContact CG-CG 4.19Å; A278-E282 PolarHBondContact O-N 3.2Å; L279-E282 PolarHBondContact O-N 3.42Å; C280-E282 VanDerWaalsContact C-N 3.32Å; C280-E282 PolarHBondContact O-N 3.22Å; E282-S286 WeakPolarHBondContact O-CB 3.32Å; E282-S286 PolarHBondContact O-N 3.48Å; E282-S286 PolarHBondContact O-OG 2.93Å; E282-R437 WeakPolarHBondContact OE1-CD 3.43Å; E282-R437 IonicContact OE1-NE 2.75Å; E282-R437 PolarHBondContact OE1-NE 3.45Å; E282-R437 IonicContact OE2-CZ 2.77Å; E282-R437 IonicContact OE2-NE 2.67Å; E282-R437 PolarHBondContact OE2-NE 2.93Å; E282-R437 IonicContact OE2-NH2 3.76Å; E282-R437 PolarHBondContact OE2-NH2 3.45Å
283M98.9Very high98.7Very high1 Ų135 Ų351%0.00517%0.174CC..Hα-helixtrans-66-41.4175.6-65.5171.772.500111.9V82 K84 L98 V102 I109 V200 L279 C280 V281 G287V82-M283 HydrophobicContact CB-CE 4.17Å; V82-M283 HydrophobicContact CG2-CE 3.75Å; K84-M283 HydrophobicContact CB-SD 4.1Å; L98-M283 HydrophobicContact CD1-SD 3.79Å; L98-M283 HydrophobicContact CD2-CE 3.75Å; L98-M283 HydrophobicContact CD2-SD 3.44Å; L98-M283 WeakPolarHBondContact CD2-SD 3.27Å; L98-M283 HydrophobicContact CG-SD 3.74Å; V102-M283 HydrophobicContact CB-CE 4.26Å; V102-M283 HydrophobicContact CG1-CB 4.38Å; V102-M283 HydrophobicContact CG1-CE 4.12Å; V102-M283 HydrophobicContact CG2-CB 4.16Å; V102-M283 HydrophobicContact CG2-CE 4.03Å; V102-M283 HydrophobicContact CG2-SD 3.95Å; I109-M283 HydrophobicContact CG1-CE 4.11Å; V200-M283 HydrophobicContact CB-CG 4.23Å; V200-M283 HydrophobicContact CG1-CG 3.49Å; V200-M283 VanDerWaalsContact CG1-CG 3.49Å; V200-M283 HydrophobicContact CG1-SD 3.96Å; L279-M283 WeakPolarHBondContact O-CG 3.45Å; L279-M283 PolarHBondContact O-N 3.19Å; C280-M283 PolarHBondContact O-N 3.1Å; V281-M283 VanDerWaalsContact C-N 3.3Å; V281-M283 PolarHBondContact O-N 3.07Å; M283-G287 WeakPolarHBondContact O-CA 3.38Å; M283-G287 PolarHBondContact O-N 3.07Å
284L98.9Very high98.7Very high0 Ų036.3 Ų36.30%019%0.192CC..Hα-helixtrans-67.1-42.9178.1-66.1-161.6000112.2V102 C105 C280 V281 K288 L289 A290 A296 K299 L300V102-L284 HydrophobicContact CG1-CD2 3.97Å; V102-L284 HydrophobicContact CG2-CD2 4.47Å; C105-L284 HydrophobicContact CB-CD1 4.18Å; C105-L284 HydrophobicContact CB-CD2 3.75Å; C280-L284 WeakPolarHBondContact O-CG 3.47Å; C280-L284 PolarHBondContact O-N 2.94Å; V281-L284 PolarHBondContact O-N 3.4Å; L284-K288 PolarHBondContact O-N 3.46Å; L284-K288 VanDerWaalsContact O-N 3.11Å; L284-L289 HydrophobicContact CB-CB 4.29Å; L284-L289 HydrophobicContact CD2-CB 3.94Å; L284-L289 HydrophobicContact CD2-CD1 3.72Å; L284-L289 HydrophobicContact CD2-CG 4.5Å; L284-L289 PolarHBondContact O-N 2.95Å; L284-A290 HydrophobicContact CB-CB 4.07Å; L284-A290 PolarHBondContact O-N 3.35Å; L284-A296 HydrophobicContact CB-CB 4.15Å; L284-A296 HydrophobicContact CD1-CB 4.2Å; L284-K299 HydrophobicContact CD1-CB 4.22Å; L284-L300 HydrophobicContact CD1-CD1 4.02Å; L284-L300 HydrophobicContact CD1-CD2 4.02Å; L284-L300 HydrophobicContact CD1-CG 3.71Å; L284-L300 HydrophobicContact CG-CD1 4.42Å; L284-L300 HydrophobicContact CG-CD2 4.4Å; L284-L300 HydrophobicContact CG-CG 4.43Å
285I98.8Very high98.7Very high50 Ų5035.7 Ų35.726%0.25619%0.187SC..Hα-helixtrans-69.1-49179.5-65.6173.1000110.2V281 G287 K288 A296V281-I285 HydrophobicContact CG1-CD1 3.66Å; V281-I285 HydrophobicContact CG1-CG1 4.35Å; V281-I285 WeakPolarHBondContact O-CG1 3.34Å; V281-I285 PolarHBondContact O-N 3.15Å; I285-G287 VanDerWaalsContact C-N 3.3Å; I285-G287 PolarHBondContact O-N 3.01Å; I285-K288 PolarHBondContact O-N 2.91Å; I285-A296 HydrophobicContact CG1-CB 4.41Å
286S98.4Very high98.7Very high14 Ų1435.7 Ų35.710%0.09819%0.187CC..Hα-helixtrans-65.9-34.3-179.2-58.90000112.2E282 K288E282-S286 WeakPolarHBondContact O-CB 3.32Å; E282-S286 PolarHBondContact O-N 3.48Å; E282-S286 PolarHBondContact O-OG 2.93Å; S286-K288 VanDerWaalsContact C-N 3.27Å; S286-K288 PolarHBondContact O-N 3.45Å
287G98.5Very high98.7Very high10 Ų1040 Ų4010%0.10320%0.204CC..THydrogen-bonded Turntrans-79.2-0.4172.100000114.8P80 M283 I285 L289P80-G287 VanDerWaalsContact CG-O 3.3Å; P80-G287 WeakPolarHBondContact CG-O 3.21Å; M283-G287 WeakPolarHBondContact O-CA 3.38Å; M283-G287 PolarHBondContact O-N 3.07Å; I285-G287 VanDerWaalsContact C-N 3.3Å; I285-G287 PolarHBondContact O-N 3.01Å; G287-L289 PolarHBondContact O-N 3.33Å
288K98.6Very high98.7Very high191 Ų19142.8 Ų42.883%0.8323%0.227SC*.THydrogen-bonded Turntrans59.427.7-178.5-52.3175.7-178.5172.10114.4L284 I285 S286L284-K288 PolarHBondContact O-N 3.46Å; L284-K288 VanDerWaalsContact O-N 3.11Å; I285-K288 PolarHBondContact O-N 2.91Å; S286-K288 VanDerWaalsContact C-N 3.27Å; S286-K288 PolarHBondContact O-N 3.45Å
289L98.8Very high98.7Very high33 Ų3345.9 Ų45.917%0.17324%0.238CC..SBendtrans-85.8-15.4172.1-67.1170.3000112.5P80 L284 G287 K299P80-L289 HydrophobicContact CG-CD1 3.76Å; P80-L289 HydrophobicContact CG-CD2 4.28Å; P80-L289 HydrophobicContact CG-CG 3.85Å; L284-L289 HydrophobicContact CB-CB 4.29Å; L284-L289 HydrophobicContact CD2-CB 3.94Å; L284-L289 HydrophobicContact CD2-CD1 3.72Å; L284-L289 HydrophobicContact CD2-CG 4.5Å; L284-L289 PolarHBondContact O-N 2.95Å; G287-L289 PolarHBondContact O-N 3.33Å; L289-K299 WeakPolarHBondContact O-CE 3.23Å; L289-K299 PolarHBondContact O-NZ 3.21Å
290A98.7Very high98.7Very high7 Ų745.9 Ų45.96%0.05824%0.238CC..  trans-145.5152.817100000109.7L284 E295 A296 K299L284-A290 HydrophobicContact CB-CB 4.07Å; L284-A290 PolarHBondContact O-N 3.35Å; A290-E295 HydrophobicContact CB-CB 4.29Å; A290-E295 HydrophobicContact CB-CG 4.01Å; A290-A296 HydrophobicContact CB-CB 3.71Å; A290-K299 HydrophobicContact CB-CD 4.42Å
291K98Very high98.7Very high152 Ų15248.5 Ų48.566%0.66125%0.251SS*.SBendtrans-93.6-22.5-178.778.6-162.4167.6-74.30114.2E295K291-E295 VanDerWaalsContact CG-OE2 3.26Å; K291-E295 WeakPolarHBondContact CG-OE2 3.42Å; K291-E295 PolarHBondContact N-OE2 3.37Å; K291-E295 IonicContact NZ-OE2 3.58Å; K291-E295 PolarHBondContact NZ-OE2 2.98Å
292D98.3Very high98.7Very high62 Ų6250.7 Ų50.733%0.33227%0.269SS..SBendtrans-150.1167.2-174.957.754.1000111.2A294 E295 A296D292-A294 VanDerWaalsContact C-N 3.32Å; D292-A294 PolarHBondContact O-N 3.49Å; D292-A294 PolarHBondContact OD1-N 3.13Å; D292-E295 PolarHBondContact O-N 3.48Å; D292-E295 WeakPolarHBondContact OD1-CB 3.46Å; D292-E295 PolarHBondContact OD1-N 2.89Å; D292-A296 WeakPolarHBondContact O-CB 3.5Å; D292-A296 PolarHBondContact O-N 3.01Å
293D98.5Very high98.7Very high73 Ų7350.6 Ų50.639%0.3927%0.269SS..Hα-helixtrans-60.2-39.8-178.7173.393.7000111.9V281 A296 R297V281-D293 HydrophobicContact CG1-CB 4.3Å; D293-A296 PolarHBondContact O-N 2.91Å; D293-R297 VanDerWaalsContact CG-NE 3.26Å; D293-R297 WeakPolarHBondContact O-CB 3.4Å; D293-R297 WeakPolarHBondContact O-CG 3.45Å; D293-R297 PolarHBondContact O-N 2.86Å; D293-R297 IonicContact OD1-CZ 2.77Å; D293-R297 IonicContact OD1-NE 2.74Å; D293-R297 PolarHBondContact OD1-NE 3.5Å; D293-R297 IonicContact OD1-NH2 3.89Å; D293-R297 PolarHBondContact OD1-NH2 3.31Å; D293-R297 VanDerWaalsContact OD2-CD 3.26Å; D293-R297 WeakPolarHBondContact OD2-CD 3.3Å; D293-R297 IonicContact OD2-CZ 2.75Å; D293-R297 IonicContact OD2-NE 3.95Å; D293-R297 PolarHBondContact OD2-NE 3.06Å
294A98.7Very high98.7Very high69 Ų6950.8 Ų50.857%0.5727%0.27SS*.Hα-helixtrans-64.8-45.5-178.200000111.9D292 A298D292-A294 VanDerWaalsContact C-N 3.32Å; D292-A294 PolarHBondContact O-N 3.49Å; D292-A294 PolarHBondContact OD1-N 3.13Å; A294-A298 WeakPolarHBondContact O-CB 3.47Å; A294-A298 PolarHBondContact O-N 2.98Å
295E98.8Very high98.7Very high55 Ų5555.8 Ų55.826%0.25730%0.297SS..Hα-helixtrans-64-44.2174.4-179.8-179.5-172.700111.4A290 K291 D292 A298 K299A290-E295 HydrophobicContact CB-CB 4.29Å; A290-E295 HydrophobicContact CB-CG 4.01Å; K291-E295 VanDerWaalsContact CG-OE2 3.26Å; K291-E295 WeakPolarHBondContact CG-OE2 3.42Å; K291-E295 PolarHBondContact N-OE2 3.37Å; K291-E295 IonicContact NZ-OE2 3.58Å; K291-E295 PolarHBondContact NZ-OE2 2.98Å; D292-E295 PolarHBondContact O-N 3.48Å; D292-E295 WeakPolarHBondContact OD1-CB 3.46Å; D292-E295 PolarHBondContact OD1-N 2.89Å; E295-A298 PolarHBondContact O-N 3.34Å; E295-K299 HydrophobicContact CG-CD 4.2Å; E295-K299 WeakPolarHBondContact O-CG 3.36Å; E295-K299 PolarHBondContact O-N 3.07Å; E295-K299 WeakPolarHBondContact OE1-CE 3.48Å; E295-K299 IonicContact OE1-NZ 3.37Å
296A98.8Very high98.7Very high0 Ų057.9 Ų57.90%031%0.309CS..Hα-helixtrans-61.1-48.8-18000000111.3V281 L284 I285 A290 D292 D293 A298 K299 L300V281-A296 HydrophobicContact CB-CB 4.14Å; V281-A296 HydrophobicContact CG1-CB 3.85Å; V281-A296 HydrophobicContact CG2-CB 3.88Å; L284-A296 HydrophobicContact CB-CB 4.15Å; L284-A296 HydrophobicContact CD1-CB 4.2Å; I285-A296 HydrophobicContact CG1-CB 4.41Å; A290-A296 HydrophobicContact CB-CB 3.71Å; D292-A296 WeakPolarHBondContact O-CB 3.5Å; D292-A296 PolarHBondContact O-N 3.01Å; D293-A296 PolarHBondContact O-N 2.91Å; A296-A298 PolarHBondContact O-N 3.43Å; A296-K299 PolarHBondContact O-N 3.09Å; A296-L300 WeakPolarHBondContact O-CD1 3.42Å; A296-L300 VanDerWaalsContact O-CG 3.29Å; A296-L300 WeakPolarHBondContact O-CG 3.13Å; A296-L300 PolarHBondContact O-N 3.5Å
297R98.8Very high98.7Very high92 Ų9258.8 Ų58.835%0.34732%0.32SS..Hα-helixtrans-60.9-43176.1-72.4-179.6-173.8-83.6-10.1112.1M277 V281 D293 K299 L300 Q301M277-R297 HydrophobicContact CG-CG 4.28Å; M277-R297 HydrophobicContact SD-CG 4.43Å; V281-R297 HydrophobicContact CG2-CG 3.68Å; D293-R297 VanDerWaalsContact CG-NE 3.26Å; D293-R297 WeakPolarHBondContact O-CB 3.4Å; D293-R297 WeakPolarHBondContact O-CG 3.45Å; D293-R297 PolarHBondContact O-N 2.86Å; D293-R297 IonicContact OD1-CZ 2.77Å; D293-R297 IonicContact OD1-NE 2.74Å; D293-R297 PolarHBondContact OD1-NE 3.5Å; D293-R297 IonicContact OD1-NH2 3.89Å; D293-R297 PolarHBondContact OD1-NH2 3.31Å; D293-R297 VanDerWaalsContact OD2-CD 3.26Å; D293-R297 WeakPolarHBondContact OD2-CD 3.3Å; D293-R297 IonicContact OD2-CZ 2.75Å; D293-R297 IonicContact OD2-NE 3.95Å; D293-R297 PolarHBondContact OD2-NE 3.06Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 3.4Å; R297-L300 PolarHBondContact O-N 2.82Å; R297-Q301 WeakPolarHBondContact O-CB 3.48Å; R297-Q301 PolarHBondContact O-N 2.86Å
298A98.9Very high98.7Very high62 Ų6263 Ų6351%0.51234%0.336SS..Hα-helixtrans-60.6-42.9177.800000112A294 E295 A296 A302A294-A298 WeakPolarHBondContact O-CB 3.47Å; A294-A298 PolarHBondContact O-N 2.98Å; E295-A298 PolarHBondContact O-N 3.34Å; A296-A298 PolarHBondContact O-N 3.43Å; A298-A302 VanDerWaalsContact O-CB 3.31Å; A298-A302 WeakPolarHBondContact O-CB 3.32Å; A298-A302 PolarHBondContact O-N 3.38Å
299K98.9Very high98.7Very high77 Ų7754 Ų5434%0.33530%0.296SS..Hα-helixtrans-63.9-47.8176.4-73.6174.6178.7-1340112.2L284 L289 A290 E295 A296 R297 A302 V303L284-K299 HydrophobicContact CD1-CB 4.22Å; L289-K299 WeakPolarHBondContact O-CE 3.23Å; L289-K299 PolarHBondContact O-NZ 3.21Å; A290-K299 HydrophobicContact CB-CD 4.42Å; E295-K299 HydrophobicContact CG-CD 4.2Å; E295-K299 WeakPolarHBondContact O-CG 3.36Å; E295-K299 PolarHBondContact O-N 3.07Å; E295-K299 WeakPolarHBondContact OE1-CE 3.48Å; E295-K299 IonicContact OE1-NZ 3.37Å; A296-K299 PolarHBondContact O-N 3.09Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 3.4Å; K299-A302 PolarHBondContact O-N 3.45Å; K299-V303 PolarHBondContact O-N 3.19Å; K299-V303 VanDerWaalsContact O-N 3.15Å
300L98.9Very high98.7Very high0 Ų052.8 Ų52.80%029%0.291CS..Hα-helixtrans-65.2-42.9-179.1-69.8162.9000111.8M101 M277 C280 V281 L284 A296 R297 A302 V303 L304M101-L300 HydrophobicContact CB-CD2 4.04Å; M101-L300 HydrophobicContact CE-CB 4.27Å; M101-L300 HydrophobicContact CE-CD2 4.12Å; M277-L300 HydrophobicContact CE-CB 3.98Å; M277-L300 HydrophobicContact SD-CB 3.5Å; M277-L300 WeakPolarHBondContact SD-CB 3.39Å; M277-L300 HydrophobicContact SD-CD1 3.61Å; M277-L300 HydrophobicContact SD-CG 4.19Å; C280-L300 HydrophobicContact CB-CD1 3.39Å; C280-L300 HydrophobicContact CB-CD2 3.6Å; C280-L300 HydrophobicContact CB-CG 4.13Å; V281-L300 HydrophobicContact CG2-CD1 3.88Å; L284-L300 HydrophobicContact CD1-CD1 4.02Å; L284-L300 HydrophobicContact CD1-CD2 4.02Å; L284-L300 HydrophobicContact CD1-CG 3.71Å; L284-L300 HydrophobicContact CG-CD1 4.42Å; L284-L300 HydrophobicContact CG-CD2 4.4Å; L284-L300 HydrophobicContact CG-CG 4.43Å; A296-L300 WeakPolarHBondContact O-CD1 3.42Å; A296-L300 VanDerWaalsContact O-CG 3.29Å; A296-L300 WeakPolarHBondContact O-CG 3.13Å; A296-L300 PolarHBondContact O-N 3.5Å; R297-L300 PolarHBondContact O-N 2.82Å; L300-A302 VanDerWaalsContact C-N 3.34Å; L300-A302 PolarHBondContact O-N 3.07Å; L300-V303 WeakPolarHBondContact O-CG2 3.05Å; L300-V303 PolarHBondContact O-N 3.17Å; L300-L304 WeakPolarHBondContact O-CG 3.18Å; L300-L304 PolarHBondContact O-N 3.36Å; L300-L304 VanDerWaalsContact O-N 3.16Å
301Q98.8Very high98.7Very high56 Ų5657.2 Ų57.226%0.26231%0.311SS..Hα-helixtrans-63.1-42.4175.7-168.760.451.100111.1R297 V303 L304 D305R297-Q301 WeakPolarHBondContact O-CB 3.48Å; R297-Q301 PolarHBondContact O-N 2.86Å; Q301-V303 PolarHBondContact O-N 2.91Å; Q301-L304 WeakPolarHBondContact O-CB 3.41Å; Q301-L304 PolarHBondContact O-N 3.32Å; Q301-D305 WeakPolarHBondContact CG-OD2 3.02Å; Q301-D305 VanDerWaalsContact NE2-CG 3.27Å; Q301-D305 PolarHBondContact NE2-OD1 2.97Å; Q301-D305 PolarHBondContact NE2-OD2 2.68Å; Q301-D305 VanDerWaalsContact NE2-OD2 3.1Å; Q301-D305 WeakPolarHBondContact O-CB 3.14Å; Q301-D305 VanDerWaalsContact O-CG 3.26Å; Q301-D305 PolarHBondContact O-N 3.28Å
302A98.9Very high98.8Very high48 Ų4850.7 Ų50.740%0.39728%0.284SS..Hα-helixtrans-59.5-43.2177.900000112.6A298 K299 L300 L304 D305 N306A298-A302 VanDerWaalsContact O-CB 3.31Å; A298-A302 WeakPolarHBondContact O-CB 3.32Å; A298-A302 PolarHBondContact O-N 3.38Å; K299-A302 PolarHBondContact O-N 3.45Å; L300-A302 VanDerWaalsContact C-N 3.34Å; L300-A302 PolarHBondContact O-N 3.07Å; A302-L304 VanDerWaalsContact C-N 3.32Å; A302-L304 PolarHBondContact O-N 3.3Å; A302-D305 PolarHBondContact O-N 2.77Å; A302-N306 WeakPolarHBondContact O-CB 3.39Å; A302-N306 PolarHBondContact O-N 2.8Å; A302-N306 PolarHBondContact O-ND2 3.22Å; A302-N306 PolarHBondContact O-OD1 2.72Å
303V98.9Very high98.8Very high11 Ų1147.8 Ų47.87%0.06727%0.268CS..Hα-helixtrans-72.4-24.1179.1-60.90000113.7A104 K299 L300 Q301 N306 K308 A309A104-V303 HydrophobicContact CB-CB 3.85Å; A104-V303 HydrophobicContact CB-CG1 3.81Å; A104-V303 HydrophobicContact CB-CG2 4.18Å; K299-V303 PolarHBondContact O-N 3.19Å; K299-V303 VanDerWaalsContact O-N 3.15Å; L300-V303 WeakPolarHBondContact O-CG2 3.05Å; L300-V303 PolarHBondContact O-N 3.17Å; Q301-V303 PolarHBondContact O-N 2.91Å; V303-N306 WeakPolarHBondContact CA-OD1 3.46Å; V303-N306 PolarHBondContact O-OD1 3.14Å; V303-K308 HydrophobicContact CB-CB 4.37Å; V303-K308 PolarHBondContact O-N 3.33Å; V303-A309 HydrophobicContact CG2-CB 4.35Å; V303-A309 WeakPolarHBondContact O-CB 3.24Å; V303-A309 PolarHBondContact O-N 3.49Å
304L98.8Very high98.8Very high5 Ų544.9 Ų44.93%0.02626%0.256CS..Hα-helixtrans-72.4-45.4170-77.3175.2000111.2M101 F262 L263 F273 M277 L300 Q301 A302 A309M101-L304 HydrophobicContact CE-CD1 3.83Å; M101-L304 HydrophobicContact CE-CD2 4.44Å; M101-L304 HydrophobicContact CE-CG 4.17Å; M101-L304 HydrophobicContact CG-CD2 3.95Å; M101-L304 HydrophobicContact CG-CG 4.3Å; M101-L304 HydrophobicContact SD-CD1 4.3Å; M101-L304 HydrophobicContact SD-CD2 3.91Å; M101-L304 HydrophobicContact SD-CG 4.29Å; F262-L304 HydrophobicContact CD1-CD2 4.37Å; F262-L304 HydrophobicContact CE1-CD1 4.33Å; F262-L304 HydrophobicContact CE1-CD2 4.06Å; L263-L304 HydrophobicContact CD2-CD2 4.22Å; F273-L304 HydrophobicContact CE2-CD1 4.04Å; M277-L304 HydrophobicContact CE-CD1 3.99Å; L300-L304 WeakPolarHBondContact O-CG 3.18Å; L300-L304 PolarHBondContact O-N 3.36Å; L300-L304 VanDerWaalsContact O-N 3.16Å; Q301-L304 WeakPolarHBondContact O-CB 3.41Å; Q301-L304 PolarHBondContact O-N 3.32Å; A302-L304 VanDerWaalsContact C-N 3.32Å; A302-L304 PolarHBondContact O-N 3.3Å; L304-A309 HydrophobicContact CD2-CB 4.14Å
305D98.7Very high98.8Very high105 Ų10547.1 Ų47.156%0.56125%0.249SC*.Hα-helixtrans-78.5-28.4-173-64.8-17.8000112.9R268 Q301 A302R268-D305 IonicContact NH1-OD1 3.72Å; Q301-D305 WeakPolarHBondContact CG-OD2 3.02Å; Q301-D305 VanDerWaalsContact NE2-CG 3.27Å; Q301-D305 PolarHBondContact NE2-OD1 2.97Å; Q301-D305 PolarHBondContact NE2-OD2 2.68Å; Q301-D305 VanDerWaalsContact NE2-OD2 3.1Å; Q301-D305 WeakPolarHBondContact O-CB 3.14Å; Q301-D305 VanDerWaalsContact O-CG 3.26Å; Q301-D305 PolarHBondContact O-N 3.28Å; A302-D305 PolarHBondContact O-N 2.77Å
306N98.7Very high98.9Very high94 Ų9444.5 Ų44.550%0.50324%0.237SC..THydrogen-bonded Turntrans-90.83.2177.172.819.8000114.1A302 V303 K308A302-N306 WeakPolarHBondContact O-CB 3.39Å; A302-N306 PolarHBondContact O-N 2.8Å; A302-N306 PolarHBondContact O-ND2 3.22Å; A302-N306 PolarHBondContact O-OD1 2.72Å; V303-N306 WeakPolarHBondContact CA-OD1 3.46Å; V303-N306 PolarHBondContact O-OD1 3.14Å; N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 3.47Å; N306-K308 VanDerWaalsContact OD1-CB 3.28Å; N306-K308 WeakPolarHBondContact OD1-CB 3.49Å; N306-K308 VanDerWaalsContact OD1-CG 3.28Å; N306-K308 WeakPolarHBondContact OD1-CG 3.43Å; N306-K308 PolarHBondContact OD1-N 2.89Å
307G98.7Very high98.9Very high32 Ų3244.5 Ų44.533%0.3324%0.237SC..SBendtrans78.5-4.1176.900000116.1A309 A310 E311G307-A309 VanDerWaalsContact C-N 3.27Å; G307-A309 PolarHBondContact O-N 3.4Å; G307-A310 PolarHBondContact O-N 2.83Å; G307-A310 VanDerWaalsContact O-N 3.1Å; G307-E311 PolarHBondContact O-N 2.61Å
308K98.8Very high98.9Very high100 Ų10041.8 Ų41.844%0.43523%0.234SC..Hα-helixtrans-61.4-34.4-179.9-73.8-173.383.4-174.30112.9A104 V303 N306 A310 E311 V312A104-K308 HydrophobicContact CB-CB 4.24Å; V303-K308 HydrophobicContact CB-CB 4.37Å; V303-K308 PolarHBondContact O-N 3.33Å; N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 3.47Å; N306-K308 VanDerWaalsContact OD1-CB 3.28Å; N306-K308 WeakPolarHBondContact OD1-CB 3.49Å; N306-K308 VanDerWaalsContact OD1-CG 3.28Å; N306-K308 WeakPolarHBondContact OD1-CG 3.43Å; N306-K308 PolarHBondContact OD1-N 2.89Å; K308-A310 VanDerWaalsContact C-N 3.34Å; K308-E311 PolarHBondContact O-N 3.01Å; K308-V312 WeakPolarHBondContact O-CG2 3.32Å; K308-V312 PolarHBondContact O-N 3.44Å
309A98.9Very high98.9Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-63.4-41.4175.800000111.6P100 M101 L263 V303 L304 G307 V312 F313P100-A309 WeakPolarHBondContact CB-O 3.28Å; M101-A309 HydrophobicContact CG-CB 3.97Å; L263-A309 HydrophobicContact CD2-CB 3.73Å; V303-A309 HydrophobicContact CG2-CB 4.35Å; V303-A309 WeakPolarHBondContact O-CB 3.24Å; V303-A309 PolarHBondContact O-N 3.49Å; L304-A309 HydrophobicContact CD2-CB 4.14Å; G307-A309 VanDerWaalsContact C-N 3.27Å; G307-A309 PolarHBondContact O-N 3.4Å; A309-V312 PolarHBondContact O-N 3.03Å; A309-F313 PolarHBondContact O-N 2.83Å; A309-F313 VanDerWaalsContact O-N 3.14Å
310A98.9Very high98.8Very high9 Ų936 Ų367%0.07420%0.201CC..Hα-helixtrans-67.2-40.5174.900000111.9L263 T264 G307 K308 V312 F313 G314 V327L263-A310 HydrophobicContact CB-CB 4.04Å; T264-A310 HydrophobicContact CG2-CB 4.31Å; G307-A310 PolarHBondContact O-N 2.83Å; G307-A310 VanDerWaalsContact O-N 3.1Å; K308-A310 VanDerWaalsContact C-N 3.34Å; A310-V312 PolarHBondContact O-N 2.86Å; A310-F313 WeakPolarHBondContact O-CB 3.28Å; A310-F313 PolarHBondContact O-N 3.27Å; A310-G314 PolarHBondContact O-N 2.97Å; A310-V327 HydrophobicContact CB-CG1 4.36Å
311E98.9Very high98.8Very high100 Ų10042.8 Ų42.847%0.46723%0.23SC..Hα-helixtrans-57.4-47.7174.8-171.9-158.8146.800111.5G307 K308 F313 G314 R315G307-E311 PolarHBondContact O-N 2.61Å; K308-E311 PolarHBondContact O-N 3.01Å; E311-F313 VanDerWaalsContact C-N 3.32Å; E311-F313 PolarHBondContact O-N 3.39Å; E311-G314 PolarHBondContact O-N 2.76Å; E311-R315 WeakPolarHBondContact O-CG 3.31Å; E311-R315 PolarHBondContact O-N 2.75Å; E311-R315 IonicContact OE1-NH1 3.61Å; E311-R315 PolarHBondContact OE1-NH1 3.16Å
312V98.9Very high98.8Very high15 Ų1540.5 Ų40.59%0.09122%0.221CC..Hα-helixtrans-62.7-39.9178.7173.50000111.1P100 A103 A104 V149 V151 K308 A309 A310 R315 M316P100-V312 HydrophobicContact CB-CB 4.07Å; P100-V312 HydrophobicContact CB-CG1 3.99Å; A103-V312 HydrophobicContact CB-CG1 3.84Å; A104-V312 HydrophobicContact CB-CG2 4.14Å; V149-V312 HydrophobicContact CG1-CG1 4.16Å; V151-V312 HydrophobicContact CG1-CG1 3.73Å; K308-V312 WeakPolarHBondContact O-CG2 3.32Å; K308-V312 PolarHBondContact O-N 3.44Å; A309-V312 PolarHBondContact O-N 3.03Å; A310-V312 PolarHBondContact O-N 2.86Å; V312-R315 PolarHBondContact O-N 3.27Å; V312-M316 WeakPolarHBondContact O-CB 3.25Å; V312-M316 PolarHBondContact O-N 3.43Å
313F98.9Very high98.8Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-61.1-46.9174.5-177.5-95.8000111.9L96 P100 V260 L263 A309 A310 E311 R315 M316 V317 F326 V327L96-F313 HydrophobicContact CB-CE2 4.3Å; L96-F313 WeakPolarHBondContact O-CD2 3.36Å; P100-F313 HydrophobicContact CB-CB 4.08Å; P100-F313 HydrophobicContact CG-CB 3.68Å; P100-F313 HydrophobicContact CG-CD2 3.82Å; P100-F313 HydrophobicContact CG-CG 4.25Å; V260-F313 HydrophobicContact CG2-CD1 4.35Å; V260-F313 HydrophobicContact CG2-CE1 3.69Å; V260-F313 HydrophobicContact CG2-CZ 4.34Å; L263-F313 HydrophobicContact CD1-CB 3.64Å; L263-F313 HydrophobicContact CD1-CD1 4.29Å; L263-F313 HydrophobicContact CD1-CD2 3.93Å; L263-F313 HydrophobicContact CD1-CG 3.69Å; A309-F313 PolarHBondContact O-N 2.83Å; A309-F313 VanDerWaalsContact O-N 3.14Å; A310-F313 WeakPolarHBondContact O-CB 3.28Å; A310-F313 PolarHBondContact O-N 3.27Å; E311-F313 VanDerWaalsContact C-N 3.32Å; E311-F313 PolarHBondContact O-N 3.39Å; F313-R315 VanDerWaalsContact C-N 3.34Å; F313-R315 PolarHBondContact O-N 3.41Å; F313-M316 HydrophobicContact CD2-CE 3.72Å; F313-M316 HydrophobicContact CE2-CE 3.77Å; F313-M316 WeakPolarHBondContact O-CB 3.43Å; F313-M316 PolarHBondContact O-N 3.31Å; F313-V317 HydrophobicContact CD1-CG2 4.17Å; F313-V317 HydrophobicContact CE1-CG2 3.78Å; F313-V317 HydrophobicContact CE2-CG2 4.5Å; F313-V317 HydrophobicContact CZ-CG2 3.96Å; F313-V317 WeakPolarHBondContact O-CG2 3.29Å; F313-V317 PolarHBondContact O-N 3.01Å; F313-F326 AromaticContact CE1-CD1 3.92Å; F313-F326 HydrophobicContact CE1-CD1 3.92Å; F313-F326 AromaticContact CE1-CE1 3.9Å; F313-F326 HydrophobicContact CE1-CE1 3.9Å; F313-F326 HydrophobicContact CZ-CE1 4.41Å; F313-V327 HydrophobicContact CD1-CG2 3.92Å
314G98.9Very high98.8Very high13 Ų1344.3 Ų44.313%0.13424%0.24CC..Hα-helixtrans-59.6-43.6176.400000112.5A310 E311 M316 V317 A318A310-G314 PolarHBondContact O-N 2.97Å; E311-G314 PolarHBondContact O-N 2.76Å; G314-M316 PolarHBondContact O-N 3.4Å; G314-V317 PolarHBondContact O-N 2.82Å; G314-A318 WeakPolarHBondContact O-CB 3.2Å; G314-A318 PolarHBondContact O-N 3.03Å
315R98.9Very high98.8Very high115 Ų11546.1 Ų46.143%0.43425%0.25SS..Hα-helixtrans-62.6-40.6174.6-71.2167.761.61381.4112.4D148 V149 E311 V312 F313 A318 A319D148-R315 PolarHBondContact O-NH2 2.66Å; V149-R315 HydrophobicContact CG1-CB 3.93Å; V149-R315 HydrophobicContact CG2-CB 4.3Å; E311-R315 WeakPolarHBondContact O-CG 3.31Å; E311-R315 PolarHBondContact O-N 2.75Å; E311-R315 IonicContact OE1-NH1 3.61Å; E311-R315 PolarHBondContact OE1-NH1 3.16Å; V312-R315 PolarHBondContact O-N 3.27Å; F313-R315 VanDerWaalsContact C-N 3.34Å; F313-R315 PolarHBondContact O-N 3.41Å; R315-A318 PolarHBondContact O-N 3.11Å; R315-A319 WeakPolarHBondContact O-CB 3.43Å; R315-A319 PolarHBondContact O-N 3.07Å
316M98.9Very high98.8Very high0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-62.6-45.1176.4179.5-169.774.100111.3V149 V151 I153 V312 F313 G314 A319 Q320V149-M316 HydrophobicContact CG1-CB 4.05Å; V151-M316 HydrophobicContact CB-SD 4.5Å; V151-M316 HydrophobicContact CG1-CB 4.23Å; V151-M316 HydrophobicContact CG1-CG 4.27Å; V151-M316 HydrophobicContact CG1-SD 3.93Å; V151-M316 HydrophobicContact CG2-SD 3.91Å; I153-M316 HydrophobicContact CD1-CE 4.24Å; I153-M316 HydrophobicContact CD1-SD 4.2Å; I153-M316 HydrophobicContact CG1-SD 4.09Å; V312-M316 WeakPolarHBondContact O-CB 3.25Å; V312-M316 PolarHBondContact O-N 3.43Å; F313-M316 HydrophobicContact CD2-CE 3.72Å; F313-M316 HydrophobicContact CE2-CE 3.77Å; F313-M316 WeakPolarHBondContact O-CB 3.43Å; F313-M316 PolarHBondContact O-N 3.31Å; G314-M316 PolarHBondContact O-N 3.4Å; M316-A319 PolarHBondContact O-N 3.08Å; M316-Q320 PolarHBondContact O-N 3.32Å; M316-Q320 VanDerWaalsContact O-N 3.13Å; M316-Q320 PolarHBondContact O-NE2 2.89Å
317V98.9Very high98.8Very high0 Ų037.4 Ų37.40%020%0.204CC..Hα-helixtrans-60.9-50.7176.8170.80000110.6I130 F133 F313 G314 A319 Q320 K321 G322 F326I130-V317 HydrophobicContact CD1-CG1 4.5Å; I130-V317 HydrophobicContact CD1-CG2 3.97Å; I130-V317 HydrophobicContact CG2-CG1 3.92Å; F133-V317 HydrophobicContact CD2-CG1 4.42Å; F133-V317 HydrophobicContact CD2-CG2 4.47Å; F133-V317 HydrophobicContact CE2-CG2 4.19Å; F313-V317 HydrophobicContact CD1-CG2 4.17Å; F313-V317 HydrophobicContact CE1-CG2 3.78Å; F313-V317 HydrophobicContact CE2-CG2 4.5Å; F313-V317 HydrophobicContact CZ-CG2 3.96Å; F313-V317 WeakPolarHBondContact O-CG2 3.29Å; F313-V317 PolarHBondContact O-N 3.01Å; G314-V317 PolarHBondContact O-N 2.82Å; V317-A319 PolarHBondContact O-N 3.44Å; V317-Q320 CarbonylContact O-C 3.6Å; V317-Q320 PolarHBondContact O-N 2.77Å; V317-K321 PolarHBondContact O-N 3.18Å; V317-G322 WeakPolarHBondContact O-CA 3.35Å; V317-G322 PolarHBondContact O-N 3.3Å; V317-F326 HydrophobicContact CG1-CB 3.87Å; V317-F326 HydrophobicContact CG1-CD1 4.28Å; V317-F326 HydrophobicContact CG1-CG 4.02Å; V317-F326 HydrophobicContact CG2-CD1 4.22Å
318A98.9Very high98.8Very high35 Ų3542.4 Ų42.429%0.28922%0.219SC..Hα-helixtrans-61.5-41.8179.200000112.6G314 R315 Q320 K321 T324G314-A318 WeakPolarHBondContact O-CB 3.2Å; G314-A318 PolarHBondContact O-N 3.03Å; R315-A318 PolarHBondContact O-N 3.11Å; A318-Q320 PolarHBondContact O-N 2.63Å; A318-K321 PolarHBondContact O-N 3.31Å; A318-K321 VanDerWaalsContact O-N 3.07Å; A318-T324 HydrophobicContact CB-CG2 4.25Å
319A98.8Very high98.8Very high16 Ų1640.5 Ų40.513%0.13221%0.214CC..Hα-helixtrans-67.4-26.6-179.200000112.9R141 I145 V149 R315 M316 V317 K321R141-A319 PolarHBondContact NH2-O 3.36Å; I145-A319 HydrophobicContact CG1-CB 4.07Å; I145-A319 HydrophobicContact CG2-CB 3.95Å; V149-A319 HydrophobicContact CG2-CB 3.94Å; R315-A319 WeakPolarHBondContact O-CB 3.43Å; R315-A319 PolarHBondContact O-N 3.07Å; M316-A319 PolarHBondContact O-N 3.08Å; V317-A319 PolarHBondContact O-N 3.44Å; A319-K321 VanDerWaalsContact C-N 3.34Å
320Q98.8Very high98.8Very high3 Ų342 Ų421%0.01422%0.219CC..THydrogen-bonded Turntrans-96.933.9171.4-68.2175.6121.300112.1F133 D134 I145 I153 M316 V317 A318 G322F133-Q320 CarbonylContact C-O 3.36Å; F133-Q320 WeakPolarHBondContact CA-O 2.92Å; F133-Q320 HydrophobicContact CD2-CB 4.38Å; F133-Q320 HydrophobicContact CE1-CB 4.23Å; F133-Q320 HydrophobicContact CE2-CB 4.11Å; F133-Q320 HydrophobicContact CZ-CB 4.06Å; F133-Q320 HydrophobicContact CZ-CG 4.46Å; D134-Q320 PolarHBondContact N-O 3.27Å; I145-Q320 HydrophobicContact CD1-CG 3.85Å; I153-Q320 PolarHBondContact O-OE1 3.41Å; M316-Q320 PolarHBondContact O-N 3.32Å; M316-Q320 VanDerWaalsContact O-N 3.13Å; M316-Q320 PolarHBondContact O-NE2 2.89Å; V317-Q320 CarbonylContact O-C 3.6Å; V317-Q320 PolarHBondContact O-N 2.77Å; A318-Q320 PolarHBondContact O-N 2.63Å; Q320-G322 PolarHBondContact O-N 3.04Å
321K98.8Very high98.8Very high141 Ų14145.2 Ų45.261%0.61325%0.246SC*.THydrogen-bonded Turntrans66.53.8170.9-54.6179.5-174.9157.50116.6G132 D134 V317 A318 A319G132-K321 CarbonylContact O-C 3.53Å; G132-K321 WeakPolarHBondContact O-CB 3.46Å; D134-K321 HydrophobicContact CB-CB 4.3Å; D134-K321 HydrophobicContact CB-CD 3.89Å; D134-K321 HydrophobicContact CB-CG 4.25Å; D134-K321 WeakPolarHBondContact OD2-CE 3.21Å; D134-K321 IonicContact OD2-NZ 2.93Å; D134-K321 PolarHBondContact OD2-NZ 3.43Å; V317-K321 PolarHBondContact O-N 3.18Å; A318-K321 PolarHBondContact O-N 3.31Å; A318-K321 VanDerWaalsContact O-N 3.07Å; A319-K321 VanDerWaalsContact C-N 3.34Å
322G98.8Very high98.8Very high8 Ų845.9 Ų45.98%0.08225%0.247CC..SBendtrans-69.6177.8167.200000112.4V317 Q320V317-G322 WeakPolarHBondContact O-CA 3.35Å; V317-G322 PolarHBondContact O-N 3.3Å; Q320-G322 PolarHBondContact O-N 3.04Å
323P98.8Very high98.8Very high17 Ų1748.3 Ų48.311%0.1126%0.255CS..  trans-65.3142.6-177.3-19.732.8000113D325 F326 Y333P323-D325 VanDerWaalsContact C-N 3.28Å; P323-D325 PolarHBondContact O-N 2.9Å; P323-F326 HydrophobicContact CB-CB 4.18Å; P323-F326 HydrophobicContact CG-CD2 4.18Å; P323-F326 WeakPolarHBondContact O-CB 3.36Å; P323-F326 PolarHBondContact O-N 3.46Å; P323-Y333 HydrophobicContact CB-CD1 4.15Å; P323-Y333 HydrophobicContact CB-CD2 3.9Å; P323-Y333 HydrophobicContact CB-CE1 3.73Å; P323-Y333 HydrophobicContact CB-CE2 3.42Å; P323-Y333 VanDerWaalsContact CB-CE2 3.42Å; P323-Y333 HydrophobicContact CB-CG 4.24Å; P323-Y333 HydrophobicContact CG-CD1 3.52Å; P323-Y333 HydrophobicContact CG-CD2 3.84Å; P323-Y333 HydrophobicContact CG-CE1 3.55Å; P323-Y333 HydrophobicContact CG-CE2 3.84Å; P323-Y333 HydrophobicContact CG-CG 3.69Å
324T98.7Very high98.7Very high122 Ų12249.1 Ų49.175%0.74826%0.259SS*.THydrogen-bonded Turntrans-72.6-20.4-178.352.60000114.1A318A318-T324 HydrophobicContact CB-CG2 4.25Å
325D98.7Very high98.7Very high44 Ų4451.1 Ų51.124%0.23527%0.27CS..THydrogen-bonded Turntrans-117.129.1-178.964.7-26.4000111.1P323 V327 E328 N329 K332 Y333P323-D325 VanDerWaalsContact C-N 3.28Å; P323-D325 PolarHBondContact O-N 2.9Å; D325-V327 PolarHBondContact O-N 2.86Å; D325-E328 VanDerWaalsContact C-OE2 3.3Å; D325-E328 WeakPolarHBondContact CA-OE2 3.44Å; D325-E328 PolarHBondContact O-N 3.47Å; D325-N329 WeakPolarHBondContact O-CB 3.26Å; D325-N329 PolarHBondContact O-N 2.98Å; D325-N329 PolarHBondContact O-ND2 3.2Å; D325-N329 PolarHBondContact OD2-ND2 3.4Å; D325-N329 VanDerWaalsContact OD2-ND2 3.1Å; D325-K332 IonicContact OD2-NZ 2.65Å; D325-K332 PolarHBondContact OD2-NZ 3.22Å; D325-Y333 VanDerWaalsContact OD1-CE2 3.31Å; D325-Y333 WeakPolarHBondContact OD1-CE2 3.36Å; D325-Y333 PolarHBondContact OD1-OH 3.32Å
326F98.9Very high98.7Very high0 Ų051.3 Ų51.30%028%0.284CS..Hα-helixtrans-63.1-38.9-174.7-177.3-99.8000112.6I130 V256 V260 F313 V317 P323 E328 N329 Y330 Y333 L334I130-F326 HydrophobicContact CB-CE2 4.27Å; I130-F326 HydrophobicContact CB-CZ 4.45Å; I130-F326 HydrophobicContact CD1-CD1 4.42Å; I130-F326 HydrophobicContact CD1-CE1 3.84Å; I130-F326 HydrophobicContact CD1-CE2 4.4Å; I130-F326 HydrophobicContact CD1-CZ 3.84Å; I130-F326 HydrophobicContact CG1-CE1 4.15Å; I130-F326 HydrophobicContact CG1-CE2 3.91Å; I130-F326 HydrophobicContact CG1-CZ 3.61Å; I130-F326 HydrophobicContact CG2-CD2 3.84Å; I130-F326 HydrophobicContact CG2-CE2 3.74Å; I130-F326 HydrophobicContact CG2-CG 4.41Å; I130-F326 HydrophobicContact CG2-CZ 4.25Å; V256-F326 HydrophobicContact CG1-CE1 3.89Å; V256-F326 HydrophobicContact CG1-CZ 3.72Å; V260-F326 HydrophobicContact CG2-CD1 4.44Å; V260-F326 HydrophobicContact CG2-CE1 3.88Å; F313-F326 AromaticContact CE1-CD1 3.92Å; F313-F326 HydrophobicContact CE1-CD1 3.92Å; F313-F326 AromaticContact CE1-CE1 3.9Å; F313-F326 HydrophobicContact CE1-CE1 3.9Å; F313-F326 HydrophobicContact CZ-CE1 4.41Å; V317-F326 HydrophobicContact CG1-CB 3.87Å; V317-F326 HydrophobicContact CG1-CD1 4.28Å; V317-F326 HydrophobicContact CG1-CG 4.02Å; V317-F326 HydrophobicContact CG2-CD1 4.22Å; P323-F326 HydrophobicContact CB-CB 4.18Å; P323-F326 HydrophobicContact CG-CD2 4.18Å; P323-F326 WeakPolarHBondContact O-CB 3.36Å; P323-F326 PolarHBondContact O-N 3.46Å; F326-E328 VanDerWaalsContact C-N 3.35Å; F326-E328 PolarHBondContact O-N 3.48Å; F326-N329 CarbonylContact O-C 3.55Å; F326-N329 PolarHBondContact O-N 2.89Å; F326-Y330 WeakPolarHBondContact O-CA 3.43Å; F326-Y330 VanDerWaalsContact O-CB 3.27Å; F326-Y330 WeakPolarHBondContact O-CB 3.3Å; F326-Y330 PolarHBondContact O-N 3.19Å; F326-Y333 AromaticContact CD2-CD2 3.94Å; F326-Y333 HydrophobicContact CD2-CD2 3.94Å; F326-Y333 HydrophobicContact CD2-CG 4.22Å; F326-L334 HydrophobicContact CE2-CD2 4.16Å; F326-L334 HydrophobicContact CE2-CG 4.1Å; F326-L334 HydrophobicContact CZ-CD1 4.22Å; F326-L334 HydrophobicContact CZ-CD2 3.9Å; F326-L334 HydrophobicContact CZ-CG 3.93Å
327V98.7Very high98.7Very high16 Ų1651.7 Ų51.710%0.09729%0.287CS..Hα-helixtrans-65-41.2-177.8172.30000111V260 T264 A310 F313 D325 Y330V260-V327 HydrophobicContact CG1-CG1 4.26Å; T264-V327 HydrophobicContact CG2-CG1 3.84Å; A310-V327 HydrophobicContact CB-CG1 4.36Å; F313-V327 HydrophobicContact CD1-CG2 3.92Å; D325-V327 PolarHBondContact O-N 2.86Å; V327-Y330 WeakPolarHBondContact O-CD1 3.42Å
328E98.5Very high98.6Very high136 Ų13659.5 Ų59.564%0.63633%0.326SS*.Hα-helixtrans-80.9-23.3-177.4-56.873.3-160.600112.1D325 F326D325-E328 VanDerWaalsContact C-OE2 3.3Å; D325-E328 WeakPolarHBondContact CA-OE2 3.44Å; D325-E328 PolarHBondContact O-N 3.47Å; F326-E328 VanDerWaalsContact C-N 3.35Å; F326-E328 PolarHBondContact O-N 3.48Å
329N98.7Very high98.6Very high61 Ų6159.7 Ų59.733%0.32632%0.322SS..Hα-helixtrans-129.924-172.2-61.6-90.8000114.2D325 F326 A331 K332 Y333D325-N329 WeakPolarHBondContact O-CB 3.26Å; D325-N329 PolarHBondContact O-N 2.98Å; D325-N329 PolarHBondContact O-ND2 3.2Å; D325-N329 PolarHBondContact OD2-ND2 3.4Å; D325-N329 VanDerWaalsContact OD2-ND2 3.1Å; F326-N329 CarbonylContact O-C 3.55Å; F326-N329 PolarHBondContact O-N 2.89Å; N329-A331 PolarHBondContact O-N 3.1Å; N329-K332 HydrophobicContact CB-CD 3.7Å; N329-K332 HydrophobicContact CB-CG 4.06Å; N329-K332 VanDerWaalsContact CG-NZ 3.3Å; N329-K332 WeakPolarHBondContact O-CG 3.37Å; N329-K332 PolarHBondContact O-N 3.47Å; N329-K332 PolarHBondContact OD1-NZ 3.36Å; N329-Y333 HydrophobicContact CB-CD2 4.38Å; N329-Y333 HydrophobicContact CB-CE2 4.12Å; N329-Y333 WeakPolarHBondContact O-CD2 3.43Å
330Y98.8Very high98.6Very high31 Ų3162.2 Ų62.212%0.12234%0.335CS..Hα-helixtrans-53-31.8-175.563-92.8000112.6R257 V260 Q261 E266 F326 V327 K332 Y333 L334R257-Y330 HydrophobicContact CB-CD2 4.4Å; R257-Y330 HydrophobicContact CB-CE2 4.35Å; R257-Y330 HydrophobicContact CG-CD2 4.14Å; R257-Y330 HydrophobicContact CG-CE2 3.61Å; V260-Y330 HydrophobicContact CB-CD1 4.14Å; V260-Y330 HydrophobicContact CB-CE1 4.46Å; V260-Y330 HydrophobicContact CG1-CD1 3.51Å; V260-Y330 HydrophobicContact CG1-CE1 3.81Å; V260-Y330 HydrophobicContact CG1-CG 4.29Å; Q261-Y330 PolarHBondContact NE2-OH 3.39Å; E266-Y330 PolarHBondContact OE2-OH 2.95Å; F326-Y330 WeakPolarHBondContact O-CA 3.43Å; F326-Y330 VanDerWaalsContact O-CB 3.27Å; F326-Y330 WeakPolarHBondContact O-CB 3.3Å; F326-Y330 PolarHBondContact O-N 3.19Å; V327-Y330 WeakPolarHBondContact O-CD1 3.42Å; Y330-K332 VanDerWaalsContact C-N 3.28Å; Y330-K332 PolarHBondContact O-N 3.27Å; Y330-Y333 PolarHBondContact O-N 3.31Å; Y330-Y333 VanDerWaalsContact O-N 3.08Å; Y330-L334 HydrophobicContact CD2-CD1 4.13Å; Y330-L334 WeakPolarHBondContact O-CB 3.48Å; Y330-L334 PolarHBondContact O-N 2.97Å
331A98.5Very high98.6Very high76 Ų7665.3 Ų65.363%0.62835%0.349SS*.Hα-helixtrans-62.3-27.4179.500000114.3N329N329-A331 PolarHBondContact O-N 3.1Å
332K98.4Very high98.6Very high115 Ų11560 Ų6050%0.533%0.331SS..Hα-helixtrans-84.8-18.4175.483.3-168.8172.3-1670113D325 N329 Y330D325-K332 IonicContact OD2-NZ 2.65Å; D325-K332 PolarHBondContact OD2-NZ 3.22Å; N329-K332 HydrophobicContact CB-CD 3.7Å; N329-K332 HydrophobicContact CB-CG 4.06Å; N329-K332 VanDerWaalsContact CG-NZ 3.3Å; N329-K332 WeakPolarHBondContact O-CG 3.37Å; N329-K332 PolarHBondContact O-N 3.47Å; N329-K332 PolarHBondContact OD1-NZ 3.36Å; Y330-K332 VanDerWaalsContact C-N 3.28Å; Y330-K332 PolarHBondContact O-N 3.27Å
333Y98.8Very high98.6Very high66 Ų6659.8 Ų59.826%0.25933%0.328SS..Hα-helixtrans-99.4-42.4-174.5-72.1-60.5000112.9P131 P323 D325 F326 N329 Y330P131-Y333 HydrophobicContact CG-CD1 4.35Å; P131-Y333 WeakPolarHBondContact CG-O 3.17Å; P323-Y333 HydrophobicContact CB-CD1 4.15Å; P323-Y333 HydrophobicContact CB-CD2 3.9Å; P323-Y333 HydrophobicContact CB-CE1 3.73Å; P323-Y333 HydrophobicContact CB-CE2 3.42Å; P323-Y333 VanDerWaalsContact CB-CE2 3.42Å; P323-Y333 HydrophobicContact CB-CG 4.24Å; P323-Y333 HydrophobicContact CG-CD1 3.52Å; P323-Y333 HydrophobicContact CG-CD2 3.84Å; P323-Y333 HydrophobicContact CG-CE1 3.55Å; P323-Y333 HydrophobicContact CG-CE2 3.84Å; P323-Y333 HydrophobicContact CG-CG 3.69Å; D325-Y333 VanDerWaalsContact OD1-CE2 3.31Å; D325-Y333 WeakPolarHBondContact OD1-CE2 3.36Å; D325-Y333 PolarHBondContact OD1-OH 3.32Å; F326-Y333 AromaticContact CD2-CD2 3.94Å; F326-Y333 HydrophobicContact CD2-CD2 3.94Å; F326-Y333 HydrophobicContact CD2-CG 4.22Å; N329-Y333 HydrophobicContact CB-CD2 4.38Å; N329-Y333 HydrophobicContact CB-CE2 4.12Å; N329-Y333 WeakPolarHBondContact O-CD2 3.43Å; Y330-Y333 PolarHBondContact O-N 3.31Å; Y330-Y333 VanDerWaalsContact O-N 3.08Å
334L98.8Very high98.6Very high17 Ų1763.7 Ų63.79%0.08934%0.342CS..SBendtrans-70.1134.5-177.8-72.3177000110.6I130 A253 V256 R257 F326 Y330 T336I130-L334 HydrophobicContact CG1-CD2 4.41Å; A253-L334 HydrophobicContact CB-CB 4.36Å; A253-L334 HydrophobicContact CB-CD2 4.13Å; V256-L334 HydrophobicContact CB-CD1 4.29Å; V256-L334 HydrophobicContact CB-CD2 4.18Å; V256-L334 HydrophobicContact CG1-CD1 4.18Å; V256-L334 HydrophobicContact CG1-CD2 4.04Å; R257-L334 HydrophobicContact CB-CD1 3.91Å; F326-L334 HydrophobicContact CE2-CD2 4.16Å; F326-L334 HydrophobicContact CE2-CG 4.1Å; F326-L334 HydrophobicContact CZ-CD1 4.22Å; F326-L334 HydrophobicContact CZ-CD2 3.9Å; F326-L334 HydrophobicContact CZ-CG 3.93Å; Y330-L334 HydrophobicContact CD2-CD1 4.13Å; Y330-L334 WeakPolarHBondContact O-CB 3.48Å; Y330-L334 PolarHBondContact O-N 2.97Å; L334-T336 PolarHBondContact O-N 2.92Å
335P98.6Very high98.6Very high55 Ų5559.1 Ų59.136%0.35732%0.316SS..PPolyproline II helixtrans-66.9135.1-178.928.3-34.6000110.6S129 A253S129-P335 WeakPolarHBondContact O-CD 3.37Å; A253-P335 HydrophobicContact CB-CG 3.96Å
336T98.4Very high98.6Very high118 Ų11863.4 Ų63.472%0.72434%0.339SS*.PPolyproline II helixtrans-99.2135.1176.9-610000109.7L334L334-T336 PolarHBondContact O-N 2.92Å
337A98.1Very high98.6Very high9 Ų968 Ų687%0.07437%0.367CS..PPolyproline II helixtrans-68.5152.1179.300000111.4L339 S380 H403A337-L339 VanDerWaalsContact C-N 3.3Å; A337-L339 PolarHBondContact O-N 3.35Å; A337-S380 WeakPolarHBondContact CA-OG 3.37Å; A337-H403 HydrophobicContact CB-CB 3.73Å
338M97.9Very high98.6Very high163 Ų16374.1 Ų74.180%0.80340%0.395SS*.SBendtrans-65.4-34.2-179.7-179.7174.1167.100112.4A404 K405M338-A404 PolarHBondContact N-O 2.92Å; M338-K405 WeakPolarHBondContact CB-O 3.28Å
339L98.5Very high98.6Very high40 Ų4068.2 Ų68.221%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-132.5114.3-179.4178.363.7000110.5A337 K341 A404 E407 W410A337-L339 VanDerWaalsContact C-N 3.3Å; A337-L339 PolarHBondContact O-N 3.35Å; L339-K341 HydrophobicContact CD1-CB 4.37Å; L339-A404 PolarHBondContact N-O 3.37Å; L339-A404 PolarHBondContact O-N 3.39Å; L339-E407 HydrophobicContact CD2-CB 4.24Å; L339-E407 WeakPolarHBondContact CD2-OE2 3.34Å; L339-W410 HydrophobicContact CD2-CB 3.64Å; L339-W410 HydrophobicContact CD2-CG 3.93Å
340T98.8Very high98.6Very high68 Ų6868.2 Ų68.242%0.41737%0.368SS..EExtended strand (participates in β ladder)trans-112.5113172.3-60.20000109V401 I402 H403T340-V401 HydrophobicContact CG2-CG1 3.48Å; T340-V401 VanDerWaalsContact CG2-CG1 3.48Å; T340-I402 WeakPolarHBondContact CA-O 3.47Å; T340-H403 WeakPolarHBondContact CG2-CE1 3.41Å; T340-H403 PolarHBondContact OG1-ND1 3.41Å; T340-H403 VanDerWaalsContact OG1-ND1 3.09Å
341K98.7Very high98.6Very high68 Ų6866.8 Ų66.830%0.29636%0.362SS..EExtended strand (participates in β ladder)trans-148.1136-175.2-179.2174.771.1-1740111.4L339 I402 E407 W410L339-K341 HydrophobicContact CD1-CB 4.37Å; K341-I402 PolarHBondContact N-O 3.01Å; K341-I402 PolarHBondContact O-N 3.27Å; K341-E407 IonicContact NZ-OE1 2.83Å; K341-E407 PolarHBondContact NZ-OE1 2.84Å; K341-E407 IonicContact NZ-OE2 3.53Å; K341-E407 PolarHBondContact NZ-OE2 3.49Å; K341-W410 HydrophobicContact CB-CZ2 4.28Å; K341-W410 HydrophobicContact CD-CH2 4.43Å; K341-W410 HydrophobicContact CD-CZ2 4.08Å; K341-W410 VanDerWaalsContact CE-CH2 3.44Å; K341-W410 VanDerWaalsContact CE-CZ3 3.48Å; K341-W410 HydrophobicContact CG-CZ2 3.84Å; K341-W410 PolarHBondContact O-NE1 3.4Å
342A98.7Very high98.6Very high29 Ų2964.7 Ų64.724%0.2434%0.343CS..EExtended strand (participates in β ladder)trans-69.9142.2-179.600000112.2Y344 P398 V401 W410A342-Y344 HydrophobicContact CB-CE2 3.88Å; A342-P398 HydrophobicContact CB-CB 3.93Å; A342-P398 HydrophobicContact CB-CG 4.15Å; A342-V401 HydrophobicContact CB-CG2 4.17Å; A342-W410 WeakPolarHBondContact O-CZ2 3.33Å
343V98.8Very high98.6Very high4 Ų464 Ų642%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-109.8119.8170.860.40000109.7P398 L399 A400 I402 W410 A414 V417 K418V343-P398 WeakPolarHBondContact O-CA 3.44Å; V343-P398 VanDerWaalsContact O-CB 3.25Å; V343-P398 WeakPolarHBondContact O-CB 3.45Å; V343-L399 HydrophobicContact CG1-CB 4.42Å; V343-L399 PolarHBondContact O-N 3.41Å; V343-A400 HydrophobicContact CG1-CB 4.23Å; V343-A400 WeakPolarHBondContact CG1-O 3.49Å; V343-A400 PolarHBondContact N-O 3.33Å; V343-I402 HydrophobicContact CB-CD1 3.89Å; V343-I402 HydrophobicContact CB-CG1 4.46Å; V343-I402 HydrophobicContact CG1-CD1 3.67Å; V343-I402 HydrophobicContact CG1-CG1 3.92Å; V343-W410 HydrophobicContact CB-CZ2 4.35Å; V343-A414 HydrophobicContact CB-CB 4.29Å; V343-A414 HydrophobicContact CG2-CB 3.81Å; V343-V417 HydrophobicContact CG1-CB 4.22Å; V343-V417 HydrophobicContact CG1-CG1 3.81Å; V343-K418 HydrophobicContact CG2-CD 3.81Å; V343-K418 HydrophobicContact CG2-CG 3.83Å
344Y98.8Very high98.6Very high100 Ų10061.3 Ų61.339%0.39233%0.332SS..  trans-95.2153.6175.6-65.7-88.7000110.6A342 D394 G395 P398A342-Y344 HydrophobicContact CB-CE2 3.88Å; Y344-D394 VanDerWaalsContact CD1-O 3.24Å; Y344-D394 WeakPolarHBondContact CD1-O 3.4Å; Y344-G395 VanDerWaalsContact CE1-O 3.32Å; Y344-G395 WeakPolarHBondContact CE1-O 3.41Å; Y344-P398 HydrophobicContact CD1-CB 3.97Å; Y344-P398 HydrophobicContact CE1-CB 3.89Å; Y344-P398 HydrophobicContact CE1-CG 4.4Å; Y344-P398 HydrophobicContact CE2-CB 4.47Å; Y344-P398 HydrophobicContact CG-CB 4.33Å
345A98.5Very high98.6Very high25 Ų2564.1 Ų64.121%0.20735%0.347CS..  trans-67.9156.8170.800000111.1T347 V393 L399 L423A345-T347 VanDerWaalsContact CB-O 3.24Å; A345-T347 WeakPolarHBondContact CB-O 3.5Å; A345-T347 PolarHBondContact O-N 3.06Å; A345-V393 HydrophobicContact CB-CG2 4.16Å; A345-L399 HydrophobicContact CB-CD1 4.1Å; A345-L399 HydrophobicContact CB-CD2 4.19Å; A345-L399 HydrophobicContact CB-CG 4.09Å; A345-L423 HydrophobicContact CB-CD1 3.61Å
346D98.4Very high98.5Very high135 Ų13561.5 Ų61.572%0.72233%0.33SS*.SBendtrans-71.1-23174.5-72.4-46.8000112.8K418D346-K418 WeakPolarHBondContact OD1-CE 3.25Å; D346-K418 IonicContact OD1-NZ 3.49Å; D346-K418 PolarHBondContact OD1-NZ 3.5Å; D346-K418 WeakPolarHBondContact OD2-CE 3.43Å; D346-K418 IonicContact OD2-NZ 3.96Å; D346-K418 PolarHBondContact OD2-NZ 3.26Å
347T98.4Very high98.5Very high97 Ų9762.4 Ų62.460%0.59532%0.32SS*.SBendtrans-137156.5179.460.90000109.9A345 L423A345-T347 VanDerWaalsContact CB-O 3.24Å; A345-T347 WeakPolarHBondContact CB-O 3.5Å; A345-T347 PolarHBondContact O-N 3.06Å; T347-L423 WeakPolarHBondContact O-CD1 3.32Å
348E98.6Very high98.5Very high143 Ų14363.6 Ų63.667%0.66833%0.33SS*.  trans-77.8155.5171.9-51.9177.8-171.400110.5V393 D394E348-V393 VanDerWaalsContact CA-O 3.31Å; E348-V393 WeakPolarHBondContact CA-O 3.27Å; E348-D394 HydrophobicContact CG-CB 4.11Å
349G98.6Very high98.5Very high13 Ų1355.9 Ų55.913%0.13429%0.292CS..EExtended strand (participates in β ladder)trans158.2-169.2176.700000112.7Q392 V393G349-Q392 CarbonylContact O-C 3.52Å; G349-Q392 WeakPolarHBondContact O-CA 3.46Å; G349-V393 PolarHBondContact N-O 3.07Å; G349-V393 VanDerWaalsContact N-O 3.16Å; G349-V393 PolarHBondContact O-N 3.18Å
350F98.9Very high98.4Very high61 Ų6154.1 Ų54.127%0.26828%0.283SS..EExtended strand (participates in β ladder)trans-98.5136.6174.6-64.1-86.3000110.6S352 D391 Q392 L423 A424 D425 A427F350-S352 PolarHBondContact O-N 3.01Å; F350-S352 VanDerWaalsContact O-N 3.16Å; F350-D391 WeakPolarHBondContact CA-O 3.14Å; F350-Q392 HydrophobicContact CD1-CB 4.01Å; F350-Q392 HydrophobicContact CE1-CB 3.79Å; F350-Q392 HydrophobicContact CE1-CG 4.41Å; F350-Q392 HydrophobicContact CZ-CB 4.45Å; F350-L423 CarbonylContact O-C 3.52Å; F350-L423 VanDerWaalsContact O-CA 3.23Å; F350-L423 WeakPolarHBondContact O-CA 3.47Å; F350-A424 PolarHBondContact N-O 2.99Å; F350-A424 PolarHBondContact O-N 3.41Å; F350-D425 WeakPolarHBondContact CD2-O 3.33Å; F350-D425 WeakPolarHBondContact CE2-O 3.34Å; F350-A427 HydrophobicContact CB-CB 4.32Å; F350-A427 HydrophobicContact CD1-CB 3.98Å; F350-A427 HydrophobicContact CG-CB 4.18Å
351V98.8Very high98.4Very high0 Ų054.8 Ų54.80%028%0.283CS..EExtended strand (participates in β ladder)trans-63115.1170.6177.90000109A387 R388 L389 G390 D391 V393 L399 I421 L423 P428V351-A387 HydrophobicContact CG2-CB 4.07Å; V351-R388 WeakPolarHBondContact CB-O 3.26Å; V351-L389 HydrophobicContact CG1-CD2 3.79Å; V351-G390 PolarHBondContact O-N 3.16Å; V351-D391 PolarHBondContact N-O 3.42Å; V351-V393 HydrophobicContact CG2-CG1 3.83Å; V351-V393 HydrophobicContact CG2-CG2 4.5Å; V351-L399 HydrophobicContact CG2-CD2 4.45Å; V351-I421 HydrophobicContact CG1-CG2 3.75Å; V351-I421 HydrophobicContact CG2-CG2 4.22Å; V351-L423 HydrophobicContact CB-CD2 4.46Å; V351-L423 HydrophobicContact CG2-CD2 3.96Å; V351-P428 WeakPolarHBondContact O-CD 3.45Å
352S98.6Very high98.3Very high32 Ų3251.9 Ų51.922%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-108.5-41.4-172.5-174.70000112.9F350 K422F350-S352 PolarHBondContact O-N 3.01Å; F350-S352 VanDerWaalsContact O-N 3.16Å; S352-K422 PolarHBondContact N-O 3.19Å
353E98.6Very high98.3Very high102 Ų10251.1 Ų51.148%0.47726%0.264SS..EExtended strand (participates in β ladder)trans-135.8148.7175.8-62.5176.2-152.600110.7I421 K422E353-I421 WeakPolarHBondContact O-CA 3.5Å; E353-K422 HydrophobicContact CB-CB 4.11Å; E353-K422 HydrophobicContact CB-CD 4.2Å; E353-K422 HydrophobicContact CB-CG 4.33Å; E353-K422 PolarHBondContact N-O 3.47Å; E353-K422 PolarHBondContact O-N 3.4Å; E353-K422 IonicContact OE1-NZ 3.75Å; E353-K422 WeakPolarHBondContact OE2-CD 3.44Å; E353-K422 WeakPolarHBondContact OE2-CE 3.49Å; E353-K422 IonicContact OE2-NZ 3.5Å; E353-K422 PolarHBondContact OE2-NZ 3.28Å
354M98.7Very high98.2Very high9 Ų951.6 Ų51.64%0.04427%0.266CS..EExtended strand (participates in β ladder)trans-134.9117.2175.6-175.8178.3-6400109.9S207 N243 Q244 V245 T356 L359 M386 A387 L389 A420 I421S207-M354 PolarHBondContact OG-O 2.89Å; N243-M354 VanDerWaalsContact O-O 3.13Å; Q244-M354 VanDerWaalsContact CA-SD 3.58Å; Q244-M354 HydrophobicContact CB-CB 4.36Å; Q244-M354 HydrophobicContact CB-CE 4.2Å; Q244-M354 HydrophobicContact CB-SD 3.6Å; V245-M354 HydrophobicContact CG2-SD 4.1Å; M354-T356 VanDerWaalsContact C-N 3.33Å; M354-T356 PolarHBondContact O-N 2.9Å; M354-L359 HydrophobicContact CE-CD1 4.47Å; M354-L359 HydrophobicContact CG-CD1 3.46Å; M354-L359 VanDerWaalsContact CG-CD1 3.46Å; M354-L359 HydrophobicContact CG-CG 4.49Å; M354-L359 HydrophobicContact SD-CD1 3.41Å; M354-L359 WeakPolarHBondContact SD-CD1 3.39Å; M354-M386 HydrophobicContact CE-CE 3.59Å; M354-M386 HydrophobicContact SD-CE 3.88Å; M354-A387 VanDerWaalsContact CE-O 3.28Å; M354-A387 WeakPolarHBondContact CE-O 3.3Å; M354-L389 HydrophobicContact CB-CD2 3.98Å; M354-A420 WeakPolarHBondContact CA-O 3.42Å; M354-I421 HydrophobicContact CE-CD1 4.13Å; M354-I421 HydrophobicContact CE-CG1 4.26Å; M354-I421 HydrophobicContact CG-CG1 4.22Å
355D98.5Very high98Very high76 Ų7648.1 Ų48.141%0.40626%0.259SS..  trans-78.586.9169.1-173.1-17.7000109.1R357 A358 L359 A420D355-R357 PolarHBondContact O-N 2.89Å; D355-R357 WeakPolarHBondContact OD1-CB 3.44Å; D355-R357 PolarHBondContact OD1-N 2.75Å; D355-R357 VanDerWaalsContact OD1-N 3.17Å; D355-A358 HydrophobicContact CB-CB 3.85Å; D355-A358 VanDerWaalsContact CG-CB 3.4Å; D355-A358 PolarHBondContact O-N 3.34Å; D355-A358 VanDerWaalsContact O-N 3.15Å; D355-A358 PolarHBondContact OD1-N 2.88Å; D355-L359 PolarHBondContact O-N 3.06Å; D355-A420 HydrophobicContact CB-CB 4.24Å; D355-A420 PolarHBondContact N-O 3.5Å
356T98Very high98Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-62.7-32-178.2-52.40000111.6V90 S207 M242 N243 Q244 M354 L359 G360V90-T356 HydrophobicContact CB-CG2 3.65Å; V90-T356 HydrophobicContact CG2-CG2 3.81Å; V90-T356 WeakPolarHBondContact CG2-O 3.39Å; S207-T356 PolarHBondContact OG-N 3.43Å; S207-T356 PolarHBondContact OG-OG1 2.93Å; M242-T356 HydrophobicContact CG-CG2 4.38Å; M242-T356 PolarHBondContact O-OG1 3.04Å; M242-T356 HydrophobicContact SD-CG2 4.43Å; N243-T356 VanDerWaalsContact C-OG1 3.3Å; N243-T356 PolarHBondContact O-OG1 3.05Å; Q244-T356 VanDerWaalsContact CA-OG1 3.28Å; Q244-T356 WeakPolarHBondContact CA-OG1 3.5Å; Q244-T356 PolarHBondContact N-OG1 2.74Å; M354-T356 VanDerWaalsContact C-N 3.33Å; M354-T356 PolarHBondContact O-N 2.9Å; T356-L359 PolarHBondContact O-N 3.3Å; T356-G360 PolarHBondContact O-N 2.71Å
357R96.6Very high97.8Very high136 Ų13641.4 Ų41.451%0.51322%0.223SC..Hα-helixtrans-64.3-46.8173.7-178.2-176.3-178.487.21.3110.7H119 D355 L359 G360 M361H119-R357 HydrophobicContact CB-CG 4.01Å; H119-R357 PolarHBondContact CE1-NH1 2.91Å; H119-R357 PolarHBondContact ND1-NH1 3.07Å; H119-R357 VanDerWaalsContact ND1-NH1 3.15Å; D355-R357 PolarHBondContact O-N 2.89Å; D355-R357 WeakPolarHBondContact OD1-CB 3.44Å; D355-R357 PolarHBondContact OD1-N 2.75Å; D355-R357 VanDerWaalsContact OD1-N 3.17Å; R357-L359 VanDerWaalsContact C-N 3.31Å; R357-L359 PolarHBondContact O-N 3.03Å; R357-G360 PolarHBondContact O-N 3.24Å; R357-M361 WeakPolarHBondContact O-CG 3.41Å; R357-M361 PolarHBondContact O-N 2.86Å
358A98.1Very high97.7Very high35 Ų3537.1 Ų37.129%0.28920%0.198SC..Hα-helixtrans-61.5-38.817700000112.1D355 M361 A362 A420D355-A358 HydrophobicContact CB-CB 3.85Å; D355-A358 VanDerWaalsContact CG-CB 3.4Å; D355-A358 PolarHBondContact O-N 3.34Å; D355-A358 VanDerWaalsContact O-N 3.15Å; D355-A358 PolarHBondContact OD1-N 2.88Å; A358-M361 PolarHBondContact O-N 3.02Å; A358-A362 PolarHBondContact O-N 3.45Å; A358-A420 HydrophobicContact CB-CB 3.91Å
359L98.6Very high97.4Very high0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-62.5-45.4173.5-68.9178.5000112.3V245 M354 D355 T356 R357 M361 A362 V363 F383 M386 V417 A420V245-L359 HydrophobicContact CG2-CD1 3.86Å; M354-L359 HydrophobicContact CE-CD1 4.47Å; M354-L359 HydrophobicContact CG-CD1 3.46Å; M354-L359 VanDerWaalsContact CG-CD1 3.46Å; M354-L359 HydrophobicContact CG-CG 4.49Å; M354-L359 HydrophobicContact SD-CD1 3.41Å; M354-L359 WeakPolarHBondContact SD-CD1 3.39Å; D355-L359 PolarHBondContact O-N 3.06Å; T356-L359 PolarHBondContact O-N 3.3Å; R357-L359 VanDerWaalsContact C-N 3.31Å; R357-L359 PolarHBondContact O-N 3.03Å; L359-M361 VanDerWaalsContact C-N 3.31Å; L359-M361 PolarHBondContact O-N 3.44Å; L359-A362 WeakPolarHBondContact O-CB 3.38Å; L359-A362 PolarHBondContact O-N 3.12Å; L359-A362 VanDerWaalsContact O-N 3.12Å; L359-V363 PolarHBondContact O-N 3.46Å; L359-V363 VanDerWaalsContact O-N 3.1Å; L359-F383 HydrophobicContact CB-CE2 4.42Å; L359-F383 HydrophobicContact CD2-CE2 4.25Å; L359-M386 HydrophobicContact CD1-CE 3.76Å; L359-V417 HydrophobicContact CD2-CB 4.45Å; L359-V417 HydrophobicContact CD2-CG2 4.1Å; L359-A420 HydrophobicContact CD2-CB 3.83Å; L359-A420 HydrophobicContact CG-CB 3.97Å
360G97.3Very high96.9Very high3 Ų332.8 Ų32.83%0.03118%0.176CC..Hα-helixtrans-58.5-43.8174.300000112.2H119 T356 R357 A362 V363 V364H119-G360 VanDerWaalsContact O-CA 3.29Å; H119-G360 WeakPolarHBondContact O-CA 3.42Å; T356-G360 PolarHBondContact O-N 2.71Å; R357-G360 PolarHBondContact O-N 3.24Å; G360-A362 VanDerWaalsContact C-N 3.3Å; G360-A362 PolarHBondContact O-N 3.09Å; G360-V363 PolarHBondContact O-N 3.44Å; G360-V364 WeakPolarHBondContact O-CG2 3.37Å; G360-V364 PolarHBondContact O-N 3.22Å
361M97.3Very high96.3Very high82 Ų8238.4 Ų38.440%0.40420%0.196SC..Hα-helixtrans-64.8-32175.3-69.1-54-56.200113.1H119 R357 A358 L359 V364 A365H119-M361 HydrophobicContact CB-CG 3.98Å; H119-M361 HydrophobicContact CB-SD 3.82Å; R357-M361 WeakPolarHBondContact O-CG 3.41Å; R357-M361 PolarHBondContact O-N 2.86Å; A358-M361 PolarHBondContact O-N 3.02Å; L359-M361 VanDerWaalsContact C-N 3.31Å; L359-M361 PolarHBondContact O-N 3.44Å; M361-V364 PolarHBondContact O-N 2.9Å; M361-A365 WeakPolarHBondContact O-CB 3.41Å; M361-A365 PolarHBondContact O-N 3.02Å
362A98.2Very high95.6Very high7 Ų744 Ų446%0.05822%0.222CC..Hα-helixtrans-66-40173.700000111.5A358 L359 G360 A365 M366 F383 A416A358-A362 PolarHBondContact O-N 3.45Å; L359-A362 WeakPolarHBondContact O-CB 3.38Å; L359-A362 PolarHBondContact O-N 3.12Å; L359-A362 VanDerWaalsContact O-N 3.12Å; G360-A362 VanDerWaalsContact C-N 3.3Å; G360-A362 PolarHBondContact O-N 3.09Å; A362-A365 PolarHBondContact O-N 3.15Å; A362-M366 WeakPolarHBondContact O-CG 3.38Å; A362-M366 PolarHBondContact O-N 3.36Å; A362-F383 HydrophobicContact CB-CE2 4.31Å; A362-F383 HydrophobicContact CB-CZ 3.83Å; A362-A416 HydrophobicContact CB-CB 3.68Å
363V98.2Very high94.5Very high13 Ų1347.1 Ų47.18%0.07925%0.249CC..Hα-helixtrans-62.3-44.6173.1178.40000111.4A250 L359 G360 A365 M366 G367 G368 F383A250-V363 HydrophobicContact CB-CG2 4.29Å; L359-V363 PolarHBondContact O-N 3.46Å; L359-V363 VanDerWaalsContact O-N 3.1Å; G360-V363 PolarHBondContact O-N 3.44Å; V363-A365 VanDerWaalsContact C-N 3.29Å; V363-A365 PolarHBondContact O-N 3.03Å; V363-M366 HydrophobicContact CB-CE 4.32Å; V363-M366 HydrophobicContact CG2-CE 4.03Å; V363-M366 PolarHBondContact O-N 2.98Å; V363-G367 PolarHBondContact O-N 3.5Å; V363-G368 WeakPolarHBondContact O-CA 3.45Å; V363-G368 PolarHBondContact O-N 3.23Å; V363-F383 HydrophobicContact CG2-CD2 3.78Å; V363-F383 HydrophobicContact CG2-CE2 3.48Å; V363-F383 VanDerWaalsContact CG2-CE2 3.48Å; V363-F383 HydrophobicContact CG2-CZ 4.05Å
364V95.9Very high93.9Very high14 Ų1446.7 Ų46.79%0.08526%0.258CS..Iπ-helixtrans-58.3-43.9173.4175.50000110.6G118 G360 M361 M366 G367 R371G118-V364 WeakPolarHBondContact O-CG2 3.39Å; G360-V364 WeakPolarHBondContact O-CG2 3.37Å; G360-V364 PolarHBondContact O-N 3.22Å; M361-V364 PolarHBondContact O-N 2.9Å; V364-M366 PolarHBondContact O-N 2.84Å; V364-G367 PolarHBondContact O-N 3.32Å; V364-G367 VanDerWaalsContact O-N 3.1Å; V364-R371 HydrophobicContact CG1-CG 3.98Å
365A96.2Very high93.4Very high28 Ų2848.3 Ų48.323%0.23127%0.266CS..Iπ-helixtrans-64.9-37.3-178.900000113.2M361 A362 V363 G367M361-A365 WeakPolarHBondContact O-CB 3.41Å; M361-A365 PolarHBondContact O-N 3.02Å; A362-A365 PolarHBondContact O-N 3.15Å; V363-A365 VanDerWaalsContact C-N 3.29Å; V363-A365 PolarHBondContact O-N 3.03Å; A365-G367 PolarHBondContact O-N 2.69Å
366M96.8Very high93.1Very high3 Ų351.1 Ų51.12%0.01529%0.286CS..Iπ-helixtrans-65.2-19.4174.2-71.4-172.1-67.800113.4A362 V363 V364 V381 F383 I402 K405 A413A362-M366 WeakPolarHBondContact O-CG 3.38Å; A362-M366 PolarHBondContact O-N 3.36Å; V363-M366 HydrophobicContact CB-CE 4.32Å; V363-M366 HydrophobicContact CG2-CE 4.03Å; V363-M366 PolarHBondContact O-N 2.98Å; V364-M366 PolarHBondContact O-N 2.84Å; M366-V381 HydrophobicContact CB-CB 4.3Å; M366-V381 HydrophobicContact CB-CG2 4.04Å; M366-F383 HydrophobicContact CE-CD1 3.92Å; M366-F383 HydrophobicContact CE-CE1 3.26Å; M366-F383 HydrophobicContact CE-CE2 4.32Å; M366-F383 HydrophobicContact CE-CZ 3.49Å; M366-F383 VanDerWaalsContact CE-CZ 3.49Å; M366-F383 HydrophobicContact SD-CE1 3.99Å; M366-I402 HydrophobicContact SD-CG2 3.91Å; M366-K405 PolarHBondContact O-NZ 2.63Å; M366-A413 HydrophobicContact CE-CB 4.49Å; M366-A413 HydrophobicContact CG-CB 3.73Å; M366-A413 HydrophobicContact SD-CB 3.32Å; M366-A413 WeakPolarHBondContact SD-CB 3.49Å
367G95.7Very high93Very high16 Ų1651.7 Ų51.717%0.16529%0.289CS..Iπ-helixtrans105.36.7-175.600000114.2V363 V364 A365 G369 I377 D378V363-G367 PolarHBondContact O-N 3.5Å; V364-G367 PolarHBondContact O-N 3.32Å; V364-G367 VanDerWaalsContact O-N 3.1Å; A365-G367 PolarHBondContact O-N 2.69Å; G367-G369 PolarHBondContact O-N 2.9Å; G367-I377 WeakPolarHBondContact O-CA 3.41Å; G367-D378 PolarHBondContact O-N 2.93Å
368G96.2Very high93Very high6 Ų647.6 Ų47.66%0.06228%0.277CS..Iπ-helixtrans-77.8-3175.100000113.8N252 V363 V381N252-G368 PolarHBondContact ND2-O 2.8Å; V363-G368 WeakPolarHBondContact O-CA 3.45Å; V363-G368 PolarHBondContact O-N 3.23Å; G368-V381 VanDerWaalsContact N-CG2 3.3Å
369G92.4Very high93.1Very high15 Ų1548.8 Ų48.816%0.15528%0.275CS..SBendtrans-144.8-176.4176.600000111.3G367G367-G369 PolarHBondContact O-N 2.9Å
370R87.6Confident93.1Very high51 Ų5149.2 Ų49.219%0.19228%0.278CS..  trans-107.6134.4-176-62.7-169-173794.8111.1D125 Q372 A373 D375 I377D125-R370 IonicContact OD1-CZ 3.72Å; D125-R370 IonicContact OD1-NH1 3.61Å; D125-R370 PolarHBondContact OD1-NH1 3.41Å; D125-R370 IonicContact OD1-NH2 2.66Å; D125-R370 PolarHBondContact OD1-NH2 3.25Å; D125-R370 IonicContact OD2-NH1 2.69Å; D125-R370 PolarHBondContact OD2-NH1 2.9Å; R370-Q372 WeakPolarHBondContact CB-O 3.44Å; R370-A373 WeakPolarHBondContact CD-O 3.25Å; R370-D375 HydrophobicContact CB-CB 4.17Å; R370-D375 WeakPolarHBondContact CD-O 3.36Å; R370-D375 HydrophobicContact CG-CB 4.15Å; R370-D375 PolarHBondContact NE-O 2.86Å; R370-I377 HydrophobicContact CG-CD1 4.03Å; R370-I377 HydrophobicContact CG-CG1 3.94Å; R370-I377 VanDerWaalsContact CZ-CD1 3.48Å
371R86.1Confident93.1Very high179 Ų17949.1 Ų49.168%0.67528%0.277SS*.SBendtrans-89.3-32.7169.7-60.6179.5-178.8-126.18.2110.8V364 D375V364-R371 HydrophobicContact CG1-CG 3.98Å; R371-D375 WeakPolarHBondContact CA-OD2 3.39Å; R371-D375 WeakPolarHBondContact CB-OD2 3.25Å; R371-D375 PolarHBondContact N-OD2 2.75Å
372Q83.9Confident93.2Very high118 Ų11845.2 Ų45.255%0.55126%0.257SS*.SBendtrans-130.8151168.753.7178.725.900108.7R370 S374 D375R370-Q372 WeakPolarHBondContact CB-O 3.44Å; Q372-S374 PolarHBondContact NE2-OG 2.85Å; Q372-S374 PolarHBondContact O-N 2.81Å; Q372-D375 HydrophobicContact CG-CB 4.45Å; Q372-D375 WeakPolarHBondContact CG-OD1 3.26Å; Q372-D375 VanDerWaalsContact CG-OD2 3.32Å; Q372-D375 WeakPolarHBondContact CG-OD2 3.4Å; Q372-D375 PolarHBondContact N-OD2 2.87Å; Q372-D375 PolarHBondContact NE2-OD1 2.79Å; Q372-D375 WeakPolarHBondContact O-CB 3.36Å; Q372-D375 PolarHBondContact O-N 3.28Å
373A76.8Confident93.2Very high97 Ų9744.9 Ų44.980%0.80226%0.255SS*.THydrogen-bonded Turntrans-56-24.4-171.900000114.8R370R370-A373 WeakPolarHBondContact CD-O 3.25Å
374S84Confident93.3Very high93 Ų9344.9 Ų44.965%0.6526%0.255SS*.THydrogen-bonded Turntrans-83.4-6.9178.652.40000115Q372Q372-S374 PolarHBondContact NE2-OG 2.85Å; Q372-S374 PolarHBondContact O-N 2.81Å
375D88.5Confident93.4Very high43 Ų4349.1 Ų49.123%0.2328%0.277CS..PPolyproline II helixtrans-66139.9-177.6-70.1-20.4000111.7R370 R371 Q372R370-D375 HydrophobicContact CB-CB 4.17Å; R370-D375 WeakPolarHBondContact CD-O 3.36Å; R370-D375 HydrophobicContact CG-CB 4.15Å; R370-D375 PolarHBondContact NE-O 2.86Å; R371-D375 WeakPolarHBondContact CA-OD2 3.39Å; R371-D375 WeakPolarHBondContact CB-OD2 3.25Å; R371-D375 PolarHBondContact N-OD2 2.75Å; Q372-D375 HydrophobicContact CG-CB 4.45Å; Q372-D375 WeakPolarHBondContact CG-OD1 3.26Å; Q372-D375 VanDerWaalsContact CG-OD2 3.32Å; Q372-D375 WeakPolarHBondContact CG-OD2 3.4Å; Q372-D375 PolarHBondContact N-OD2 2.87Å; Q372-D375 PolarHBondContact NE2-OD1 2.79Å; Q372-D375 WeakPolarHBondContact O-CB 3.36Å; Q372-D375 PolarHBondContact O-N 3.28Å
376T93.3Very high93.5Very high135 Ų13548.3 Ų48.383%0.82827%0.268SS*.PPolyproline II helixtrans-85135.2171.4-54.90000109.4
377I95Very high93.6Very high11 Ų1148.4 Ų48.46%0.05627%0.27CS..PPolyproline II helixtrans-90.9140-179.7-69.5178.7000110D125 N252 G367 R370 Y379D125-I377 HydrophobicContact CB-CD1 3.89Å; N252-I377 VanDerWaalsContact ND2-CG2 3.31Å; N252-I377 WeakPolarHBondContact ND2-CG2 3.3Å; G367-I377 WeakPolarHBondContact O-CA 3.41Å; R370-I377 HydrophobicContact CG-CD1 4.03Å; R370-I377 HydrophobicContact CG-CG1 3.94Å; R370-I377 VanDerWaalsContact CZ-CD1 3.48Å; I377-Y379 HydrophobicContact CB-CD1 4.49Å; I377-Y379 HydrophobicContact CB-CE1 4.17Å; I377-Y379 HydrophobicContact CG2-CD1 3.77Å; I377-Y379 HydrophobicContact CG2-CE1 3.89Å; I377-Y379 HydrophobicContact CG2-CG 4.38Å
378D97.8Very high93.8Very high50 Ų5050.9 Ų50.927%0.26727%0.274SS..  trans-85.9110.3158.8-173.1-29.5000108.3G367 S380 V381G367-D378 PolarHBondContact O-N 2.93Å; D378-S380 PolarHBondContact O-N 3.38Å; D378-S380 WeakPolarHBondContact OD1-CB 3.38Å; D378-S380 PolarHBondContact OD1-N 3.18Å; D378-S380 PolarHBondContact OD1-OG 3.29Å; D378-V381 HydrophobicContact CB-CG1 4.2Å; D378-V381 HydrophobicContact CB-CG2 4.16Å; D378-V381 WeakPolarHBondContact O-CG2 3.47Å
379Y98.5Very high93.9Very high61 Ų6152.7 Ų52.724%0.23928%0.282CS..THydrogen-bonded Turntrans-72.7-16.5-175.8-64.9-64.1000113.7D125 E128 N252 A253 I377D125-Y379 WeakPolarHBondContact O-CD1 3.49Å; D125-Y379 WeakPolarHBondContact O-CE1 3.48Å; E128-Y379 HydrophobicContact CB-CE1 4.03Å; E128-Y379 WeakPolarHBondContact CB-OH 3.48Å; E128-Y379 PolarHBondContact OE2-OH 3.38Å; N252-Y379 HydrophobicContact CB-CD1 3.83Å; A253-Y379 WeakPolarHBondContact CB-O 3.41Å; A253-Y379 PolarHBondContact N-O 3.39Å; I377-Y379 HydrophobicContact CB-CD1 4.49Å; I377-Y379 HydrophobicContact CB-CE1 4.17Å; I377-Y379 HydrophobicContact CG2-CD1 3.77Å; I377-Y379 HydrophobicContact CG2-CE1 3.89Å; I377-Y379 HydrophobicContact CG2-CG 4.38Å
380S98.7Very high94.2Very high9 Ų953.2 Ų53.26%0.06329%0.288CS..THydrogen-bonded Turntrans-84.6-23.8-174.675.10000113.5A337 D378A337-S380 WeakPolarHBondContact CA-OG 3.37Å; D378-S380 PolarHBondContact O-N 3.38Å; D378-S380 WeakPolarHBondContact OD1-CB 3.38Å; D378-S380 PolarHBondContact OD1-N 3.18Å; D378-S380 PolarHBondContact OD1-OG 3.29Å
381V98.6Very high94.7Very high0 Ų051.9 Ų51.90%029%0.285CS..  trans-79.6152.7-175.9-56.30000112.6M366 G368 D378 H403 K405M366-V381 HydrophobicContact CB-CB 4.3Å; M366-V381 HydrophobicContact CB-CG2 4.04Å; G368-V381 VanDerWaalsContact N-CG2 3.3Å; D378-V381 HydrophobicContact CB-CG1 4.2Å; D378-V381 HydrophobicContact CB-CG2 4.16Å; D378-V381 WeakPolarHBondContact O-CG2 3.47Å; V381-H403 CarbonylContact C-O 3.58Å; V381-H403 WeakPolarHBondContact CA-O 3.38Å; V381-H403 VanDerWaalsContact CB-O 3.3Å; V381-H403 WeakPolarHBondContact CB-O 3.26Å; V381-K405 HydrophobicContact CG1-CB 4.22Å
382G98.7Very high95.3Very high0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans152.8-164.1-179.800000113.2A250 H403A250-G382 CarbonylContact O-C 3.59Å; A250-G382 WeakPolarHBondContact O-CA 2.98Å; G382-H403 PolarHBondContact N-O 3.39Å; G382-H403 PolarHBondContact O-N 2.84Å
383F98.9Very high96Very high0 Ų042.4 Ų42.40%025%0.248CC..EExtended strand (participates in β ladder)trans-115.6142.5176.9-50.2-44.4000110.4S249 A250 L359 A362 V363 M366 M386 V401 I402 A413 V417S249-F383 CarbonylContact C-O 3.56Å; S249-F383 WeakPolarHBondContact CA-O 3.23Å; S249-F383 VanDerWaalsContact CB-O 3.26Å; S249-F383 WeakPolarHBondContact CB-O 3.3Å; A250-F383 HydrophobicContact CB-CB 4.47Å; A250-F383 HydrophobicContact CB-CD2 4.13Å; A250-F383 PolarHBondContact N-O 2.94Å; A250-F383 PolarHBondContact O-N 3.34Å; L359-F383 HydrophobicContact CB-CE2 4.42Å; L359-F383 HydrophobicContact CD2-CE2 4.25Å; A362-F383 HydrophobicContact CB-CE2 4.31Å; A362-F383 HydrophobicContact CB-CZ 3.83Å; V363-F383 HydrophobicContact CG2-CD2 3.78Å; V363-F383 HydrophobicContact CG2-CE2 3.48Å; V363-F383 VanDerWaalsContact CG2-CE2 3.48Å; V363-F383 HydrophobicContact CG2-CZ 4.05Å; M366-F383 HydrophobicContact CE-CD1 3.92Å; M366-F383 HydrophobicContact CE-CE1 3.26Å; M366-F383 HydrophobicContact CE-CE2 4.32Å; M366-F383 HydrophobicContact CE-CZ 3.49Å; M366-F383 VanDerWaalsContact CE-CZ 3.49Å; M366-F383 HydrophobicContact SD-CE1 3.99Å; F383-M386 HydrophobicContact CB-CG 4.27Å; F383-M386 HydrophobicContact CB-SD 3.99Å; F383-M386 HydrophobicContact CD2-SD 4.39Å; F383-M386 HydrophobicContact CG-SD 4.41Å; F383-V401 WeakPolarHBondContact CA-O 3.33Å; F383-I402 HydrophobicContact CD1-CG1 4.01Å; F383-I402 HydrophobicContact CE1-CG1 4.09Å; F383-I402 HydrophobicContact CE1-CG2 4.46Å; F383-A413 HydrophobicContact CE1-CB 4.45Å; F383-V417 HydrophobicContact CD1-CG2 4.22Å; F383-V417 HydrophobicContact CE1-CG2 3.61Å; F383-V417 HydrophobicContact CE2-CG2 4.19Å; F383-V417 HydrophobicContact CZ-CG2 3.61Å
384T98.9Very high97Very high13 Ų1339.9 Ų39.98%0.0822%0.221CC..EExtended strand (participates in β ladder)trans-129174.1160.961.80000110S248 V254 M386 V401 H403S248-T384 CarbonylContact O-C 3.5Å; S248-T384 WeakPolarHBondContact O-CA 3.41Å; V254-T384 HydrophobicContact CB-CG2 3.74Å; V254-T384 HydrophobicContact CG1-CG2 3.81Å; T384-M386 PolarHBondContact O-N 2.92Å; T384-M386 VanDerWaalsContact O-N 3.12Å; T384-V401 PolarHBondContact N-O 2.61Å; T384-V401 PolarHBondContact O-N 3.04Å; T384-H403 WeakPolarHBondContact CG2-NE2 3.23Å; T384-H403 PolarHBondContact OG1-NE2 2.99Å
385D98.8Very high97.7Very high104 Ų10438 Ų3856%0.55622%0.216SC*.SBendtrans55.136.2175.3-53.2-88000111.6S248 A387 V401S248-D385 PolarHBondContact O-N 3.08Å; D385-A387 PolarHBondContact O-N 3.29Å; D385-V401 HydrophobicContact CB-CB 4.25Å; D385-V401 HydrophobicContact CB-CG2 3.85Å
386M98.9Very high98.1Very high10 Ų1043.1 Ų43.15%0.04924%0.239CC..PPolyproline II helixtrans-59.3125.1178.2-81.2-64.4-52.300110.1V245 S248 M354 L359 F383 T384 A400 I421V245-M386 HydrophobicContact CB-CG 4.49Å; V245-M386 HydrophobicContact CG2-CE 3.95Å; V245-M386 HydrophobicContact CG2-CG 4.37Å; S248-M386 PolarHBondContact O-N 3.13Å; S248-M386 VanDerWaalsContact O-N 3.16Å; M354-M386 HydrophobicContact CE-CE 3.59Å; M354-M386 HydrophobicContact SD-CE 3.88Å; L359-M386 HydrophobicContact CD1-CE 3.76Å; F383-M386 HydrophobicContact CB-CG 4.27Å; F383-M386 HydrophobicContact CB-SD 3.99Å; F383-M386 HydrophobicContact CD2-SD 4.39Å; F383-M386 HydrophobicContact CG-SD 4.41Å; T384-M386 PolarHBondContact O-N 2.92Å; T384-M386 VanDerWaalsContact O-N 3.12Å; M386-A400 HydrophobicContact SD-CB 3.62Å; M386-I421 HydrophobicContact CE-CD1 4.24Å
387A98.8Very high98.4Very high6 Ų641.7 Ų41.75%0.0522%0.218CC..PPolyproline II helixtrans-62.7141.9166.600000109.8V351 M354 D385 D391 V393 L399V351-A387 HydrophobicContact CG2-CB 4.07Å; M354-A387 VanDerWaalsContact CE-O 3.28Å; M354-A387 WeakPolarHBondContact CE-O 3.3Å; D385-A387 PolarHBondContact O-N 3.29Å; A387-D391 HydrophobicContact CB-CB 4.47Å; A387-V393 HydrophobicContact CB-CG1 4.14Å; A387-L399 WeakPolarHBondContact CB-O 3.49Å; A387-L399 PolarHBondContact N-O 3.26Å
388R98.8Very high98.5Very high68 Ų6842.2 Ų42.226%0.25722%0.222SC..PPolyproline II helixtrans-95.7160.8176.4-66.6-177.1-60.9-77.6-14.2111Q244 V351 G390 D391Q244-R388 VanDerWaalsContact OE1-CA 3.32Å; V351-R388 WeakPolarHBondContact CB-O 3.26Å; R388-G390 PolarHBondContact O-N 2.91Å; R388-D391 IonicContact CZ-OD2 2.73Å; R388-D391 PolarHBondContact N-OD2 3.12Å; R388-D391 IonicContact NH2-OD1 3.59Å; R388-D391 IonicContact NH2-OD2 3.67Å; R388-D391 WeakPolarHBondContact O-CB 3.27Å; R388-D391 PolarHBondContact O-N 3.49Å
389L98.7Very high98.6Very high43 Ų4340 Ų4023%0.22521%0.21CC..THydrogen-bonded Turntrans-54.6132.4166.9-60.1-178.5000109.4N243 Q244 V351 M354 D391 P428N243-L389 HydrophobicContact CB-CD1 4.44Å; Q244-L389 HydrophobicContact CB-CD1 4.35Å; Q244-L389 HydrophobicContact CB-CG 4.06Å; Q244-L389 HydrophobicContact CG-CG 4.39Å; V351-L389 HydrophobicContact CG1-CD2 3.79Å; M354-L389 HydrophobicContact CB-CD2 3.98Å; L389-D391 VanDerWaalsContact C-N 3.34Å; L389-P428 HydrophobicContact CB-CG 4.33Å
390G98.6Very high98.6Very high27 Ų2737.1 Ų37.128%0.27820%0.199SC..THydrogen-bonded Turntrans85.6-8.8-175.300000115.6V351 R388 Q392V351-G390 PolarHBondContact O-N 3.16Å; R388-G390 PolarHBondContact O-N 2.91Å; G390-Q392 PolarHBondContact O-N 3.01Å
391D98.6Very high98.6Very high22 Ų2237.8 Ų37.812%0.11820%0.203CC..  trans-68.3132.4170.8-81.3-36.1000110.2F350 V351 A387 R388 L389 R397F350-D391 WeakPolarHBondContact CA-O 3.14Å; V351-D391 PolarHBondContact N-O 3.42Å; A387-D391 HydrophobicContact CB-CB 4.47Å; R388-D391 IonicContact CZ-OD2 2.73Å; R388-D391 PolarHBondContact N-OD2 3.12Å; R388-D391 IonicContact NH2-OD1 3.59Å; R388-D391 IonicContact NH2-OD2 3.67Å; R388-D391 WeakPolarHBondContact O-CB 3.27Å; R388-D391 PolarHBondContact O-N 3.49Å; L389-D391 VanDerWaalsContact C-N 3.34Å; D391-R397 IonicContact OD1-CZ 3.63Å; D391-R397 IonicContact OD1-NH1 3.66Å; D391-R397 PolarHBondContact OD1-NH1 2.98Å; D391-R397 IonicContact OD1-NH2 3.83Å
392Q98.7Very high98.6Very high98 Ų9837.8 Ų37.846%0.45820%0.203SC..EExtended strand (participates in β ladder)trans-72.1132.1165.4-176.8176.3-6.700108.9G349 F350 G390 R397G349-Q392 CarbonylContact O-C 3.52Å; G349-Q392 WeakPolarHBondContact O-CA 3.46Å; F350-Q392 HydrophobicContact CD1-CB 4.01Å; F350-Q392 HydrophobicContact CE1-CB 3.79Å; F350-Q392 HydrophobicContact CE1-CG 4.41Å; F350-Q392 HydrophobicContact CZ-CB 4.45Å; G390-Q392 PolarHBondContact O-N 3.01Å; Q392-R397 WeakPolarHBondContact O-CD 3.47Å
393V98.7Very high98.7Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-118.4141.6175.8-64.40000110.4A345 E348 G349 V351 A387 R397 L399 L423A345-V393 HydrophobicContact CB-CG2 4.16Å; E348-V393 VanDerWaalsContact CA-O 3.31Å; E348-V393 WeakPolarHBondContact CA-O 3.27Å; G349-V393 PolarHBondContact N-O 3.07Å; G349-V393 VanDerWaalsContact N-O 3.16Å; G349-V393 PolarHBondContact O-N 3.18Å; V351-V393 HydrophobicContact CG2-CG1 3.83Å; V351-V393 HydrophobicContact CG2-CG2 4.5Å; A387-V393 HydrophobicContact CB-CG1 4.14Å; V393-R397 HydrophobicContact CG1-CG 4.36Å; V393-L399 HydrophobicContact CG1-CD2 4.22Å; V393-L399 HydrophobicContact CG2-CD2 4.27Å; V393-L423 HydrophobicContact CG2-CD1 3.67Å; V393-L423 HydrophobicContact CG2-CD2 3.67Å; V393-L423 HydrophobicContact CG2-CG 4.35Å
394D98.3Very high98.6Very high44 Ų4438.5 Ų38.524%0.23521%0.206CC..SBendtrans-156.7-167.7-17560.220.3000110.4Y344 E348 Q396 R397Y344-D394 VanDerWaalsContact CD1-O 3.24Å; Y344-D394 WeakPolarHBondContact CD1-O 3.4Å; E348-D394 HydrophobicContact CG-CB 4.11Å; D394-Q396 PolarHBondContact O-N 3.45Å; D394-Q396 VanDerWaalsContact O-N 3.08Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.34Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.44Å; D394-Q396 PolarHBondContact OD1-N 3.3Å; D394-Q396 PolarHBondContact OD1-OE1 3.06Å; D394-R397 PolarHBondContact N-O 3.14Å; D394-R397 PolarHBondContact O-N 3.34Å; D394-R397 VanDerWaalsContact O-O 3.12Å; D394-R397 PolarHBondContact OD1-N 2.87Å
395G97.5Very high98.6Very high53 Ų5342 Ų4255%0.54622%0.22SC..SBendtrans-63.5-8.9177.600000115.1Y344Y344-G395 VanDerWaalsContact CE1-O 3.32Å; Y344-G395 WeakPolarHBondContact CE1-O 3.41Å
396Q98.1Very high98.6Very high151 Ų15140 Ų4071%0.70621%0.209SC*.SBendtrans-110.5-26.1-179.9-65.883.3-6.900112D394D394-Q396 PolarHBondContact O-N 3.45Å; D394-Q396 VanDerWaalsContact O-N 3.08Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.34Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.44Å; D394-Q396 PolarHBondContact OD1-N 3.3Å; D394-Q396 PolarHBondContact OD1-OE1 3.06Å
397R98.3Very high98.5Very high106 Ų10643.1 Ų43.140%0.422%0.224SC..SBendtrans-112.4105.5178-173.4173.8-111.6-167.1-2.7112D391 Q392 V393 D394D391-R397 IonicContact OD1-CZ 3.63Å; D391-R397 IonicContact OD1-NH1 3.66Å; D391-R397 PolarHBondContact OD1-NH1 2.98Å; D391-R397 IonicContact OD1-NH2 3.83Å; Q392-R397 WeakPolarHBondContact O-CD 3.47Å; V393-R397 HydrophobicContact CG1-CG 4.36Å; D394-R397 PolarHBondContact N-O 3.14Å; D394-R397 PolarHBondContact O-N 3.34Å; D394-R397 VanDerWaalsContact O-O 3.12Å; D394-R397 PolarHBondContact OD1-N 2.87Å
398P98.8Very high98.5Very high22 Ų2249.2 Ų49.214%0.14326%0.256CS..  trans-71165.4177.832.1-35.8000111.8A342 V343 Y344A342-P398 HydrophobicContact CB-CB 3.93Å; A342-P398 HydrophobicContact CB-CG 4.15Å; V343-P398 WeakPolarHBondContact O-CA 3.44Å; V343-P398 VanDerWaalsContact O-CB 3.25Å; V343-P398 WeakPolarHBondContact O-CB 3.45Å; Y344-P398 HydrophobicContact CD1-CB 3.97Å; Y344-P398 HydrophobicContact CE1-CB 3.89Å; Y344-P398 HydrophobicContact CE1-CG 4.4Å; Y344-P398 HydrophobicContact CE2-CB 4.47Å; Y344-P398 HydrophobicContact CG-CB 4.33Å
399L98.9Very high98.5Very high3 Ų346.3 Ų46.32%0.01625%0.246CC..SBendtrans-68.6-39168.1-66.4174.4000111.1V343 A345 V351 A387 V393 V417 K418 I421 L423V343-L399 HydrophobicContact CG1-CB 4.42Å; V343-L399 PolarHBondContact O-N 3.41Å; A345-L399 HydrophobicContact CB-CD1 4.1Å; A345-L399 HydrophobicContact CB-CD2 4.19Å; A345-L399 HydrophobicContact CB-CG 4.09Å; V351-L399 HydrophobicContact CG2-CD2 4.45Å; A387-L399 WeakPolarHBondContact CB-O 3.49Å; A387-L399 PolarHBondContact N-O 3.26Å; V393-L399 HydrophobicContact CG1-CD2 4.22Å; V393-L399 HydrophobicContact CG2-CD2 4.27Å; L399-V417 HydrophobicContact CB-CG1 4Å; L399-V417 HydrophobicContact CD1-CG1 4.29Å; L399-K418 HydrophobicContact CD1-CG 3.91Å; L399-I421 HydrophobicContact CB-CD1 4.12Å; L399-I421 HydrophobicContact CD2-CB 4.35Å; L399-I421 HydrophobicContact CD2-CD1 4.18Å; L399-I421 HydrophobicContact CD2-CG2 3.86Å; L399-L423 HydrophobicContact CD2-CD2 4.37Å
400A98.9Very high98.5Very high0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-164.2166.4177.200000110.6V343 M386 V417V343-A400 HydrophobicContact CG1-CB 4.23Å; V343-A400 WeakPolarHBondContact CG1-O 3.49Å; V343-A400 PolarHBondContact N-O 3.33Å; M386-A400 HydrophobicContact SD-CB 3.62Å; A400-V417 HydrophobicContact CB-CG1 4.41Å
401V98.9Very high98.5Very high24 Ų2449 Ų4915%0.14525%0.249CC..EExtended strand (participates in β ladder)trans-100.9121.8161.4174.80000108.8T340 A342 F383 T384 D385T340-V401 HydrophobicContact CG2-CG1 3.48Å; T340-V401 VanDerWaalsContact CG2-CG1 3.48Å; A342-V401 HydrophobicContact CB-CG2 4.17Å; F383-V401 WeakPolarHBondContact CA-O 3.33Å; T384-V401 PolarHBondContact N-O 2.61Å; T384-V401 PolarHBondContact O-N 3.04Å; D385-V401 HydrophobicContact CB-CB 4.25Å; D385-V401 HydrophobicContact CB-CG2 3.85Å
402I98.9Very high98.5Very high0 Ų053.3 Ų53.30%027%0.269CS..EExtended strand (participates in β ladder)trans-95.3128.6-179-59.6173.5000109.1T340 K341 V343 M366 F383 A404 W410 A413 A414 V417T340-I402 WeakPolarHBondContact CA-O 3.47Å; K341-I402 PolarHBondContact N-O 3.01Å; K341-I402 PolarHBondContact O-N 3.27Å; V343-I402 HydrophobicContact CB-CD1 3.89Å; V343-I402 HydrophobicContact CB-CG1 4.46Å; V343-I402 HydrophobicContact CG1-CD1 3.67Å; V343-I402 HydrophobicContact CG1-CG1 3.92Å; M366-I402 HydrophobicContact SD-CG2 3.91Å; F383-I402 HydrophobicContact CD1-CG1 4.01Å; F383-I402 HydrophobicContact CE1-CG1 4.09Å; F383-I402 HydrophobicContact CE1-CG2 4.46Å; I402-A404 HydrophobicContact CG2-CB 4.21Å; I402-W410 HydrophobicContact CG2-CG 4.42Å; I402-A413 HydrophobicContact CD1-CB 3.98Å; I402-A413 HydrophobicContact CG2-CB 3.85Å; I402-A414 VanDerWaalsContact CD1-CA 3.46Å; I402-A414 HydrophobicContact CD1-CB 3.88Å; I402-V417 HydrophobicContact CD1-CG2 4.32Å
403H98.9Very high98.5Very high14 Ų1448.8 Ų48.87%0.06525%0.248CC..EExtended strand (participates in β ladder)trans-102.9112.1170.9-61.1-100.5000107.5A337 T340 V381 G382 T384A337-H403 HydrophobicContact CB-CB 3.73Å; T340-H403 WeakPolarHBondContact CG2-CE1 3.41Å; T340-H403 PolarHBondContact OG1-ND1 3.41Å; T340-H403 VanDerWaalsContact OG1-ND1 3.09Å; V381-H403 CarbonylContact C-O 3.58Å; V381-H403 WeakPolarHBondContact CA-O 3.38Å; V381-H403 VanDerWaalsContact CB-O 3.3Å; V381-H403 WeakPolarHBondContact CB-O 3.26Å; G382-H403 PolarHBondContact N-O 3.39Å; G382-H403 PolarHBondContact O-N 2.84Å; T384-H403 WeakPolarHBondContact CG2-NE2 3.23Å; T384-H403 PolarHBondContact OG1-NE2 2.99Å
404A98.7Very high98.5Very high0 Ų049 Ų490%025%0.25CC..EExtended strand (participates in β ladder)trans-129.7155.7-173.400000111.7M338 L339 I402 W410M338-A404 PolarHBondContact N-O 2.92Å; L339-A404 PolarHBondContact N-O 3.37Å; L339-A404 PolarHBondContact O-N 3.39Å; I402-A404 HydrophobicContact CG2-CB 4.21Å; A404-W410 HydrophobicContact CB-CB 3.75Å; A404-W410 HydrophobicContact CB-CG 4.45Å
405K97.8Very high98.5Very high88 Ų8854.7 Ų54.738%0.38327%0.272SS..SBendtrans-79-20.2179.365.8-173.7176.4-164.80114.4M338 M366 V381M338-K405 WeakPolarHBondContact CB-O 3.28Å; M366-K405 PolarHBondContact O-NZ 2.63Å; V381-K405 HydrophobicContact CG1-CB 4.22Å
406D98.2Very high98.6Very high60 Ų6053.7 Ų53.732%0.32126%0.259SS..SBendtrans-163.7173.9176.159.257.3000110.5N408 S409 W410D406-N408 PolarHBondContact O-N 3.37Å; D406-N408 WeakPolarHBondContact OD1-CB 3.15Å; D406-N408 PolarHBondContact OD1-N 2.7Å; D406-S409 PolarHBondContact O-N 2.69Å; D406-S409 WeakPolarHBondContact OD1-CB 3.43Å; D406-S409 PolarHBondContact OD1-N 2.91Å; D406-W410 PolarHBondContact O-N 2.75Å
407E98.5Very high98.6Very high77 Ų7746.5 Ų46.536%0.3623%0.225SC..Hα-helixtrans-65.5-35-178.9-17763.8-147.600113L339 K341 W410 Q411L339-E407 HydrophobicContact CD2-CB 4.24Å; L339-E407 WeakPolarHBondContact CD2-OE2 3.34Å; K341-E407 IonicContact NZ-OE1 2.83Å; K341-E407 PolarHBondContact NZ-OE1 2.84Å; K341-E407 IonicContact NZ-OE2 3.53Å; K341-E407 PolarHBondContact NZ-OE2 3.49Å; E407-W410 WeakPolarHBondContact O-CB 3.44Å; E407-W410 PolarHBondContact O-N 3.38Å; E407-Q411 HydrophobicContact CG-CG 4.47Å; E407-Q411 VanDerWaalsContact O-CG 3.29Å; E407-Q411 WeakPolarHBondContact O-CG 3.16Å; E407-Q411 PolarHBondContact O-N 2.97Å; E407-Q411 PolarHBondContact OE1-NE2 3.49Å
408N98.2Very high98.6Very high133 Ų13344.7 Ų44.771%0.71122%0.22SC*.Hα-helixtrans-66.7-45.1179.5-71.8-32.8000110.7D406 W410 Q411 E412D406-N408 PolarHBondContact O-N 3.37Å; D406-N408 WeakPolarHBondContact OD1-CB 3.15Å; D406-N408 PolarHBondContact OD1-N 2.7Å; N408-W410 VanDerWaalsContact C-N 3.27Å; N408-W410 PolarHBondContact O-N 3.48Å; N408-Q411 PolarHBondContact O-N 3.36Å; N408-E412 PolarHBondContact O-N 3.27Å; N408-E412 VanDerWaalsContact O-N 3.11Å
409S98Very high98.6Very high8 Ų847.6 Ų47.66%0.05625%0.246CC..Hα-helixtrans-60.5-38.2173.5-174.30000111.4D406 A413D406-S409 PolarHBondContact O-N 2.69Å; D406-S409 WeakPolarHBondContact OD1-CB 3.43Å; D406-S409 PolarHBondContact OD1-N 2.91Å; S409-A413 WeakPolarHBondContact O-CB 3.39Å; S409-A413 PolarHBondContact O-N 3.07Å; S409-A413 VanDerWaalsContact O-N 3.12Å
410W98.8Very high98.6Very high24 Ų2447.7 Ų47.79%0.09125%0.248CC..Hα-helixtrans-65.5-42.9175.8-174.892.7000112.2L339 K341 A342 V343 I402 A404 D406 E407 N408 A413 A414L339-W410 HydrophobicContact CD2-CB 3.64Å; L339-W410 HydrophobicContact CD2-CG 3.93Å; K341-W410 HydrophobicContact CB-CZ2 4.28Å; K341-W410 HydrophobicContact CD-CH2 4.43Å; K341-W410 HydrophobicContact CD-CZ2 4.08Å; K341-W410 VanDerWaalsContact CE-CH2 3.44Å; K341-W410 VanDerWaalsContact CE-CZ3 3.48Å; K341-W410 HydrophobicContact CG-CZ2 3.84Å; K341-W410 PolarHBondContact O-NE1 3.4Å; A342-W410 WeakPolarHBondContact O-CZ2 3.33Å; V343-W410 HydrophobicContact CB-CZ2 4.35Å; I402-W410 HydrophobicContact CG2-CG 4.42Å; A404-W410 HydrophobicContact CB-CB 3.75Å; A404-W410 HydrophobicContact CB-CG 4.45Å; D406-W410 PolarHBondContact O-N 2.75Å; E407-W410 WeakPolarHBondContact O-CB 3.44Å; E407-W410 PolarHBondContact O-N 3.38Å; N408-W410 VanDerWaalsContact C-N 3.27Å; N408-W410 PolarHBondContact O-N 3.48Å; W410-A413 PolarHBondContact O-N 2.95Å; W410-A414 HydrophobicContact CD2-CB 4.4Å; W410-A414 HydrophobicContact CE3-CB 4.14Å; W410-A414 HydrophobicContact CH2-CB 3.81Å; W410-A414 HydrophobicContact CZ2-CB 4.09Å; W410-A414 HydrophobicContact CZ3-CB 3.83Å; W410-A414 VanDerWaalsContact O-CB 3.31Å; W410-A414 WeakPolarHBondContact O-CB 3.33Å; W410-A414 PolarHBondContact O-N 3.48Å
411Q98.7Very high98.6Very high102 Ų10248.2 Ų48.248%0.47725%0.25SC..Hα-helixtrans-63.4-43.3179.2-70.9-70.3-23.500112.2E407 N408 A414 K415E407-Q411 HydrophobicContact CG-CG 4.47Å; E407-Q411 VanDerWaalsContact O-CG 3.29Å; E407-Q411 WeakPolarHBondContact O-CG 3.16Å; E407-Q411 PolarHBondContact O-N 2.97Å; E407-Q411 PolarHBondContact OE1-NE2 3.49Å; N408-Q411 PolarHBondContact O-N 3.36Å; Q411-A414 PolarHBondContact O-N 3.06Å; Q411-K415 PolarHBondContact O-N 3.15Å; Q411-K415 VanDerWaalsContact O-N 3.08Å
412E98.4Very high98.6Very high113 Ų11352.6 Ų52.653%0.52827%0.267SS..Hα-helixtrans-61-46.5175.2-174.5177.7-173.500111N408 K415 A416N408-E412 PolarHBondContact O-N 3.27Å; N408-E412 VanDerWaalsContact O-N 3.11Å; E412-K415 PolarHBondContact O-N 3.21Å; E412-A416 WeakPolarHBondContact O-CB 3.43Å; E412-A416 PolarHBondContact O-N 3.46Å
413A98.7Very high98.6Very high2 Ų254.9 Ų54.92%0.01728%0.279CS..Hα-helixtrans-63.6-43.1178.200000112.7M366 F383 I402 S409 W410 K415 A416 V417M366-A413 HydrophobicContact CE-CB 4.49Å; M366-A413 HydrophobicContact CG-CB 3.73Å; M366-A413 HydrophobicContact SD-CB 3.32Å; M366-A413 WeakPolarHBondContact SD-CB 3.49Å; F383-A413 HydrophobicContact CE1-CB 4.45Å; I402-A413 HydrophobicContact CD1-CB 3.98Å; I402-A413 HydrophobicContact CG2-CB 3.85Å; S409-A413 WeakPolarHBondContact O-CB 3.39Å; S409-A413 PolarHBondContact O-N 3.07Å; S409-A413 VanDerWaalsContact O-N 3.12Å; W410-A413 PolarHBondContact O-N 2.95Å; A413-K415 VanDerWaalsContact C-N 3.32Å; A413-K415 PolarHBondContact O-N 3.14Å; A413-A416 PolarHBondContact O-N 3.17Å; A413-A416 VanDerWaalsContact O-N 3.16Å; A413-V417 WeakPolarHBondContact O-CG2 3.46Å; A413-V417 PolarHBondContact O-N 3.37Å
414A98.8Very high98.6Very high5 Ų555.7 Ų55.74%0.04129%0.288CS..Hα-helixtrans-61.1-42.7178.100000111.3V343 I402 W410 Q411 K418V343-A414 HydrophobicContact CB-CB 4.29Å; V343-A414 HydrophobicContact CG2-CB 3.81Å; I402-A414 VanDerWaalsContact CD1-CA 3.46Å; I402-A414 HydrophobicContact CD1-CB 3.88Å; W410-A414 HydrophobicContact CD2-CB 4.4Å; W410-A414 HydrophobicContact CE3-CB 4.14Å; W410-A414 HydrophobicContact CH2-CB 3.81Å; W410-A414 HydrophobicContact CZ2-CB 4.09Å; W410-A414 HydrophobicContact CZ3-CB 3.83Å; W410-A414 VanDerWaalsContact O-CB 3.31Å; W410-A414 WeakPolarHBondContact O-CB 3.33Å; W410-A414 PolarHBondContact O-N 3.48Å; Q411-A414 PolarHBondContact O-N 3.06Å; A414-K418 WeakPolarHBondContact O-CB 3.44Å; A414-K418 WeakPolarHBondContact O-CD 3.38Å; A414-K418 VanDerWaalsContact O-CG 3.25Å; A414-K418 WeakPolarHBondContact O-CG 3.29Å; A414-K418 PolarHBondContact O-N 3.36Å; A414-K418 VanDerWaalsContact O-N 3.1Å
415K98.7Very high98.5Very high163 Ų16362 Ų6271%0.70932%0.322SS*.Hα-helixtrans-62.8-43.4174-175.9-179.9175.9-177.60111.7Q411 E412 A413 A419Q411-K415 PolarHBondContact O-N 3.15Å; Q411-K415 VanDerWaalsContact O-N 3.08Å; E412-K415 PolarHBondContact O-N 3.21Å; A413-K415 VanDerWaalsContact C-N 3.32Å; A413-K415 PolarHBondContact O-N 3.14Å; K415-A419 WeakPolarHBondContact O-CB 3.32Å; K415-A419 PolarHBondContact O-N 2.8Å
416A98.7Very high98.6Very high33 Ų3364.9 Ų64.927%0.27334%0.335SS..Hα-helixtrans-65-45179.800000112.4A362 E412 A413 K418 A419 A420A362-A416 HydrophobicContact CB-CB 3.68Å; E412-A416 WeakPolarHBondContact O-CB 3.43Å; E412-A416 PolarHBondContact O-N 3.46Å; A413-A416 PolarHBondContact O-N 3.17Å; A413-A416 VanDerWaalsContact O-N 3.16Å; A416-K418 PolarHBondContact O-N 2.87Å; A416-A419 PolarHBondContact O-N 3.42Å; A416-A420 WeakPolarHBondContact O-CB 3.44Å; A416-A420 PolarHBondContact O-N 3.45Å
417V98.8Very high98.6Very high0 Ų064.5 Ų64.50%034%0.339CS..Hα-helixtrans-59.7-48.1176.5170.80000110.9V343 L359 F383 L399 A400 I402 A413 A419 A420 I421V343-V417 HydrophobicContact CG1-CB 4.22Å; V343-V417 HydrophobicContact CG1-CG1 3.81Å; L359-V417 HydrophobicContact CD2-CB 4.45Å; L359-V417 HydrophobicContact CD2-CG2 4.1Å; F383-V417 HydrophobicContact CD1-CG2 4.22Å; F383-V417 HydrophobicContact CE1-CG2 3.61Å; F383-V417 HydrophobicContact CE2-CG2 4.19Å; F383-V417 HydrophobicContact CZ-CG2 3.61Å; L399-V417 HydrophobicContact CB-CG1 4Å; L399-V417 HydrophobicContact CD1-CG1 4.29Å; A400-V417 HydrophobicContact CB-CG1 4.41Å; I402-V417 HydrophobicContact CD1-CG2 4.32Å; A413-V417 WeakPolarHBondContact O-CG2 3.46Å; A413-V417 PolarHBondContact O-N 3.37Å; V417-A419 VanDerWaalsContact C-N 3.31Å; V417-A419 PolarHBondContact O-N 2.85Å; V417-A420 PolarHBondContact O-N 3.34Å; V417-I421 HydrophobicContact CG1-CD1 3.97Å; V417-I421 PolarHBondContact O-N 3.08Å
418K98.8Very high98.5Very high68 Ų6862.9 Ų62.930%0.29634%0.336SS..Hα-helixtrans-63.2-36.2178.6-70.117067.7178.60112.6V343 D346 L399 A414 A416V343-K418 HydrophobicContact CG2-CD 3.81Å; V343-K418 HydrophobicContact CG2-CG 3.83Å; D346-K418 WeakPolarHBondContact OD1-CE 3.25Å; D346-K418 IonicContact OD1-NZ 3.49Å; D346-K418 PolarHBondContact OD1-NZ 3.5Å; D346-K418 WeakPolarHBondContact OD2-CE 3.43Å; D346-K418 IonicContact OD2-NZ 3.96Å; D346-K418 PolarHBondContact OD2-NZ 3.26Å; L399-K418 HydrophobicContact CD1-CG 3.91Å; A414-K418 WeakPolarHBondContact O-CB 3.44Å; A414-K418 WeakPolarHBondContact O-CD 3.38Å; A414-K418 VanDerWaalsContact O-CG 3.25Å; A414-K418 WeakPolarHBondContact O-CG 3.29Å; A414-K418 PolarHBondContact O-N 3.36Å; A414-K418 VanDerWaalsContact O-N 3.1Å; A416-K418 PolarHBondContact O-N 2.87Å
419A98.7Very high98.5Very high82 Ų8265.1 Ų65.168%0.67834%0.342SS*.Hα-helixtrans-72.9-30.2177.700000113.1K415 A416 V417K415-A419 WeakPolarHBondContact O-CB 3.32Å; K415-A419 PolarHBondContact O-N 2.8Å; A416-A419 PolarHBondContact O-N 3.42Å; V417-A419 VanDerWaalsContact C-N 3.31Å; V417-A419 PolarHBondContact O-N 2.85Å
420A98.7Very high98.4Very high6 Ų670.4 Ų70.45%0.0538%0.379CS..Hα-helixtrans-81.9-18.3-178.100000113.7M354 D355 A358 L359 A416 V417M354-A420 WeakPolarHBondContact CA-O 3.42Å; D355-A420 HydrophobicContact CB-CB 4.24Å; D355-A420 PolarHBondContact N-O 3.5Å; A358-A420 HydrophobicContact CB-CB 3.91Å; L359-A420 HydrophobicContact CD2-CB 3.83Å; L359-A420 HydrophobicContact CG-CB 3.97Å; A416-A420 WeakPolarHBondContact O-CB 3.44Å; A416-A420 PolarHBondContact O-N 3.45Å; V417-A420 PolarHBondContact O-N 3.34Å
421I98.8Very high98.3Very high10 Ų1072.4 Ų72.45%0.05139%0.394CS..EExtended strand (participates in β ladder)trans-112.1119.5-176.3-61.7170.8000110.2V351 E353 M354 M386 L399 V417 L423V351-I421 HydrophobicContact CG1-CG2 3.75Å; V351-I421 HydrophobicContact CG2-CG2 4.22Å; E353-I421 WeakPolarHBondContact O-CA 3.5Å; M354-I421 HydrophobicContact CE-CD1 4.13Å; M354-I421 HydrophobicContact CE-CG1 4.26Å; M354-I421 HydrophobicContact CG-CG1 4.22Å; M386-I421 HydrophobicContact CE-CD1 4.24Å; L399-I421 HydrophobicContact CB-CD1 4.12Å; L399-I421 HydrophobicContact CD2-CB 4.35Å; L399-I421 HydrophobicContact CD2-CD1 4.18Å; L399-I421 HydrophobicContact CD2-CG2 3.86Å; V417-I421 HydrophobicContact CG1-CD1 3.97Å; V417-I421 PolarHBondContact O-N 3.08Å; I421-L423 HydrophobicContact CG2-CD2 4.25Å
422K98.7Very high98.3Very high116 Ų11670.7 Ų70.750%0.50439%0.392SS..EExtended strand (participates in β ladder)trans-98140.2176-57.5-177.4-167.5160.20110.9S352 E353S352-K422 PolarHBondContact N-O 3.19Å; E353-K422 HydrophobicContact CB-CB 4.11Å; E353-K422 HydrophobicContact CB-CD 4.2Å; E353-K422 HydrophobicContact CB-CG 4.33Å; E353-K422 PolarHBondContact N-O 3.47Å; E353-K422 PolarHBondContact O-N 3.4Å; E353-K422 IonicContact OE1-NZ 3.75Å; E353-K422 WeakPolarHBondContact OE2-CD 3.44Å; E353-K422 WeakPolarHBondContact OE2-CE 3.49Å; E353-K422 IonicContact OE2-NZ 3.5Å; E353-K422 PolarHBondContact OE2-NZ 3.28Å
423L98.8Very high98.3Very high48 Ų4866.6 Ų66.625%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-105.4152.6176.6-54.7-173.3000111.7A345 T347 F350 V351 V393 L399 I421A345-L423 HydrophobicContact CB-CD1 3.61Å; T347-L423 WeakPolarHBondContact O-CD1 3.32Å; F350-L423 CarbonylContact O-C 3.52Å; F350-L423 VanDerWaalsContact O-CA 3.23Å; F350-L423 WeakPolarHBondContact O-CA 3.47Å; V351-L423 HydrophobicContact CB-CD2 4.46Å; V351-L423 HydrophobicContact CG2-CD2 3.96Å; V393-L423 HydrophobicContact CG2-CD1 3.67Å; V393-L423 HydrophobicContact CG2-CD2 3.67Å; V393-L423 HydrophobicContact CG2-CG 4.35Å; L399-L423 HydrophobicContact CD2-CD2 4.37Å; I421-L423 HydrophobicContact CG2-CD2 4.25Å
424A98.6Very high98.3Very high31 Ų3168.5 Ų68.526%0.25639%0.386SS..EExtended strand (participates in β ladder)trans-136.1169.4173.300000111.4F350 K426F350-A424 PolarHBondContact N-O 2.99Å; F350-A424 PolarHBondContact O-N 3.41Å; A424-K426 VanDerWaalsContact C-N 3.27Å
425D98Very high98.3Very high133 Ų13371.5 Ų71.571%0.71140%0.396SS*.SBendtrans-74.6-18.3175.266.3-25.5000113F350F350-D425 WeakPolarHBondContact CD2-O 3.33Å; F350-D425 WeakPolarHBondContact CE2-O 3.34Å
426K98.2Very high98.3Very high149 Ų14969.8 Ų69.865%0.64839%0.385SS*.SBendtrans-133.1147.8177.6-65.2177.3-175.6172.50110.8A424A424-K426 VanDerWaalsContact C-N 3.27Å
427A98.3Very high98.3Very high51 Ų5173.3 Ų73.342%0.42139%0.392SS..PPolyproline II helixtrans-62.2144.5171.200000111F350F350-A427 HydrophobicContact CB-CB 4.32Å; F350-A427 HydrophobicContact CD1-CB 3.98Å; F350-A427 HydrophobicContact CG-CB 4.18Å
428P98Very high98.3Very high44 Ų4473.9 Ų73.929%0.28640%0.395SS..PPolyproline II helixtrans-69.4163.9173.531.8-35.6000111.1V351 L389V351-P428 WeakPolarHBondContact O-CD 3.45Å; L389-P428 HydrophobicContact CB-CG 4.33Å
429E97.4Very high98.1Very high180 Ų18073.3 Ų73.384%0.84140%0.399SS*.PPolyproline II helixtrans-58143.9168.8-73.9-69.815900110.8
430S96.2Very high97.6Very high119 Ų11977.9 Ų77.983%0.83241%0.406SS*.PPolyproline II helixtrans-71.6134.6177.9-65.80000111
431T97Very high97.5Very high66 Ų6681.5 Ų81.541%0.40542%0.424SS..PPolyproline II helixtrans-100.8148.217257.90000111.1D241D241-T431 PolarHBondContact OD2-OG1 3.32Å
432P98.4Very high97.5Very high66 Ų6685.2 Ų85.243%0.42944%0.444SS..PPolyproline II helixtrans-68.2143173.530.4-35.3000110.5Y435P432-Y435 HydrophobicContact CG-CD1 3.45Å; P432-Y435 VanDerWaalsContact CG-CD1 3.45Å; P432-Y435 HydrophobicContact CG-CE1 3.59Å; P432-Y435 HydrophobicContact CG-CG 4.05Å
433T98.6Very high97.4Very high26 Ų2683.5 Ų83.516%0.1644%0.44CS..SBendtrans-73-33.6174.647.40000112.3T240 D241 R271T240-T433 WeakPolarHBondContact CA-O 3.29Å; D241-T433 PolarHBondContact N-O 3.46Å; R271-T433 HydrophobicContact CB-CG2 3.87Å; R271-T433 HydrophobicContact CG-CG2 3.69Å
434V98.7Very high97.3Very high42 Ų4285.6 Ų85.626%0.25545%0.451SS..EExtended strand (participates in β ladder)trans-124.6110.5173.1-176.60000107.8L238 L239 T240 V275 A278L238-V434 HydrophobicContact CB-CG1 4.34Å; L238-V434 HydrophobicContact CD1-CG1 4.36Å; L238-V434 HydrophobicContact CD2-CG1 4.49Å; L239-V434 CarbonylContact O-C 3.39Å; T240-V434 HydrophobicContact CG2-CG2 4.34Å; V275-V434 HydrophobicContact CG2-CG2 4.25Å; A278-V434 HydrophobicContact CB-CG2 3.96Å
435Y98.6Very high97.3Very high69 Ų6989 Ų8927%0.27146%0.464SS..EExtended strand (participates in β ladder)trans-73.1-47.7-176.1-68.8-90.1000112V205 Y214 L239 D241 P432V205-Y435 HydrophobicContact CB-CD2 4.23Å; V205-Y435 HydrophobicContact CB-CE2 3.95Å; V205-Y435 HydrophobicContact CG1-CD2 4.44Å; V205-Y435 HydrophobicContact CG1-CE2 3.98Å; V205-Y435 HydrophobicContact CG2-CD2 4.39Å; Y214-Y435 HydrophobicContact CE2-CD1 4.24Å; Y214-Y435 HydrophobicContact CE2-CG 4.18Å; L239-Y435 PolarHBondContact O-N 2.99Å; D241-Y435 HydrophobicContact CB-CE2 3.82Å; D241-Y435 PolarHBondContact OD2-OH 3.36Å; P432-Y435 HydrophobicContact CG-CD1 3.45Å; P432-Y435 VanDerWaalsContact CG-CD1 3.45Å; P432-Y435 HydrophobicContact CG-CE1 3.59Å; P432-Y435 HydrophobicContact CG-CG 4.05Å
436R98Very high97.2Very high126 Ų12686.1 Ų86.148%0.47545%0.447SS..EExtended strand (participates in β ladder)trans-159.5149.6-171.4-177.5173.7178.8179.62111.2E218 L239 I438E218-R436 IonicContact OE1-CZ 3.11Å; E218-R436 IonicContact OE1-NE 2.82Å; E218-R436 IonicContact OE1-NH1 3.44Å; E218-R436 PolarHBondContact OE1-NH1 3.14Å; L239-R436 HydrophobicContact CD1-CB 4.41Å; L239-R436 PolarHBondContact N-O 2.64Å; R436-I438 HydrophobicContact CG-CG1 4.48Å
437R98.6Very high97.1Very high108 Ų10881.6 Ų81.641%0.40843%0.433SS..EExtended strand (participates in β ladder)trans-99.9132.3165.3178.7-177.1177.9-79.2-3.6110.1T236 L238 E282 S439T236-R437 VanDerWaalsContact CG2-NH2 3.34Å; L238-R437 HydrophobicContact CD2-CB 3.76Å; L238-R437 HydrophobicContact CD2-CG 3.84Å; E282-R437 WeakPolarHBondContact OE1-CD 3.43Å; E282-R437 IonicContact OE1-NE 2.75Å; E282-R437 PolarHBondContact OE1-NE 3.45Å; E282-R437 IonicContact OE2-CZ 2.77Å; E282-R437 IonicContact OE2-NE 2.67Å; E282-R437 PolarHBondContact OE2-NE 2.93Å; E282-R437 IonicContact OE2-NH2 3.76Å; E282-R437 PolarHBondContact OE2-NH2 3.45Å; R437-S439 VanDerWaalsContact NH1-CB 3.33Å; R437-S439 PolarHBondContact NH1-OG 2.96Å
438I98.2Very high97Very high12 Ų1283.9 Ų83.96%0.06243%0.434CS..EExtended strand (participates in β ladder)trans-114.1129.4174.6-63161.5000107.7E218 A221 E222 V225 T236 A237 L239 R436E218-I438 HydrophobicContact CG-CD1 4.16Å; A221-I438 HydrophobicContact CB-CD1 3.45Å; A221-I438 VanDerWaalsContact CB-CD1 3.45Å; E222-I438 HydrophobicContact CG-CD1 4.36Å; E222-I438 HydrophobicContact CG-CG2 4.04Å; V225-I438 HydrophobicContact CB-CG2 4.42Å; V225-I438 HydrophobicContact CG2-CG2 4.16Å; T236-I438 CarbonylContact C-O 3.46Å; T236-I438 WeakPolarHBondContact CA-O 3.09Å; A237-I438 HydrophobicContact CB-CB 4.36Å; A237-I438 PolarHBondContact N-O 3.22Å; A237-I438 PolarHBondContact O-N 2.81Å; L239-I438 HydrophobicContact CD1-CD1 4.18Å; L239-I438 HydrophobicContact CD2-CD1 4.17Å; L239-I438 HydrophobicContact CG-CD1 4.04Å; R436-I438 HydrophobicContact CG-CG1 4.48Å
439S96Very high97Very high55 Ų5587.3 Ų87.339%0.38545%0.446SS..  trans-137.3168.7174.9590000109.6R437R437-S439 VanDerWaalsContact NH1-CB 3.33Å; R437-S439 PolarHBondContact NH1-OG 2.96Å
440E87.7Confident96.9Very high178 Ų17878.8 Ų78.883%0.83241%0.41SS*.  trans-48.50175.1-172.1179-159.400113.5R234R234-E440 IonicContact CZ-OE2 3.45Å; R234-E440 IonicContact NH1-OE2 3.55Å; R234-E440 PolarHBondContact NH1-OE2 2.69Å; R234-E440 IonicContact NH2-OE2 3.01Å

Retrieved 440 of 440 residues in 211 ms (Link to these results)

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