A0A077YWH4_TRITR Loading...

transketolase

AlphaFold DB , UniProt , Accession A0A077YWH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 625 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
1M42.5Very low74Confident200 Ų20091.9 Ų91.999%0.98553%0.534SS*.  0114.50-65.9178.4-166.400106.6S3 T232M1-S3 PolarHBondContact O-N 2.8Å; M1-T232 HydrophobicContact CE-CG2 4.49Å
2S41.6Very low75.8Confident102 Ų10286.7 Ų86.771%0.71350%0.501SS*.  trans-58.3114.3173.853.40000107.7S4S2-S4 PolarHBondContact O-N 3.05Å
3S47.4Very low77.4Confident95 Ų9582.7 Ų82.766%0.66448%0.475SS*.  trans-65.786.1162.358.50000105.8M1 V5M1-S3 PolarHBondContact O-N 2.8Å; S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 PolarHBondContact O-N 2.88Å
4S59Low78.8Confident77 Ų7776.8 Ų76.854%0.53844%0.441SS..  trans-62.7102168.553.90000105.2S2 L6S2-S4 PolarHBondContact O-N 3.05Å; S4-L6 PolarHBondContact O-N 2.78Å
5V72.4Confident80.1Confident126 Ų12676.2 Ų76.276%0.76443%0.432SS*.PPolyproline II helixtrans-51.5125.4168.7178.60000105.9S3 D7S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 PolarHBondContact O-N 2.88Å; V5-D7 PolarHBondContact O-N 3.21Å
6L85.7Confident81.2Confident18 Ų1871.7 Ų71.79%0.09441%0.406CS..PPolyproline II helixtrans-55.9130.9176.9-176.764.2000107.6S4 P8 K10 E11 L14 C224S4-L6 PolarHBondContact O-N 2.78Å; L6-P8 WeakPolarHBondContact O-CD 3.47Å; L6-K10 HydrophobicContact CD1-CB 4.41Å; L6-K10 HydrophobicContact CD1-CD 4.05Å; L6-K10 HydrophobicContact CD1-CG 4.16Å; L6-E11 HydrophobicContact CD2-CB 3.76Å; L6-E11 HydrophobicContact CD2-CG 4.04Å; L6-E11 HydrophobicContact CG-CB 4.15Å; L6-L14 HydrophobicContact CD2-CD1 4.2Å; L6-C224 HydrophobicContact CD2-CB 4.45Å
7D90.8Very high82.2Confident85 Ų8567.5 Ų67.546%0.45538%0.382SS..PPolyproline II helixtrans-52.2125.2176.5167.658.1000109.4V5 N9 K10 E11V5-D7 PolarHBondContact O-N 3.21Å; D7-N9 PolarHBondContact O-N 3Å; D7-N9 VanDerWaalsContact O-N 3.13Å; D7-N9 WeakPolarHBondContact OD2-CB 3.5Å; D7-N9 PolarHBondContact OD2-N 2.87Å; D7-K10 HydrophobicContact CB-CB 4.13Å; D7-K10 WeakPolarHBondContact O-CA 3.46Å; D7-K10 WeakPolarHBondContact O-CB 3.49Å; D7-K10 PolarHBondContact O-N 3.3Å; D7-K10 PolarHBondContact OD2-N 3.32Å; D7-E11 PolarHBondContact O-N 3.13Å
8P92.3Very high83.1Confident90 Ų9063.8 Ų63.858%0.58436%0.361SS*.Hα-helixtrans-57.8-30.2-174.1-28.735.6000114.1L6 Q12L6-P8 WeakPolarHBondContact O-CD 3.47Å; P8-Q12 PolarHBondContact O-N 3.42Å
9N92.6Very high83.9Confident117 Ų11761 Ų6163%0.62635%0.345SS*.Hα-helixtrans-69.5-47.1175.2-61.1-46.6000110.4D7 E11 Q12 E13D7-N9 PolarHBondContact O-N 3Å; D7-N9 VanDerWaalsContact O-N 3.13Å; D7-N9 WeakPolarHBondContact OD2-CB 3.5Å; D7-N9 PolarHBondContact OD2-N 2.87Å; N9-E11 VanDerWaalsContact C-N 3.3Å; N9-E11 PolarHBondContact O-N 2.91Å; N9-Q12 PolarHBondContact O-N 3.36Å; N9-Q12 VanDerWaalsContact O-N 3.17Å; N9-E13 WeakPolarHBondContact O-CG 3.42Å; N9-E13 PolarHBondContact O-N 3.05Å
10K93.9Very high84.6Confident55 Ų5559.6 Ų59.624%0.23934%0.335CS..Hα-helixtrans-59.2-40.4173.9-172.6167.4-167-178.80112.3L6 D7 Q12 E13 L14 H53 L287L6-K10 HydrophobicContact CD1-CB 4.41Å; L6-K10 HydrophobicContact CD1-CD 4.05Å; L6-K10 HydrophobicContact CD1-CG 4.16Å; D7-K10 HydrophobicContact CB-CB 4.13Å; D7-K10 WeakPolarHBondContact O-CA 3.46Å; D7-K10 WeakPolarHBondContact O-CB 3.49Å; D7-K10 PolarHBondContact O-N 3.3Å; D7-K10 PolarHBondContact OD2-N 3.32Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; K10-Q12 PolarHBondContact O-N 3.39Å; K10-E13 PolarHBondContact O-N 3.41Å; K10-L14 HydrophobicContact CG-CD1 4.35Å; K10-L14 WeakPolarHBondContact O-CG 3.46Å; K10-L14 PolarHBondContact O-N 2.72Å; K10-H53 VanDerWaalsContact CE-ND1 3.3Å; K10-H53 WeakPolarHBondContact CE-ND1 3.28Å; K10-H53 PolarHBondContact NZ-ND1 2.75Å; K10-L287 HydrophobicContact CD-CD2 4.39Å; K10-L287 HydrophobicContact CG-CD2 4.12Å
11E95.7Very high85.2Confident46 Ų4656.8 Ų56.822%0.21532%0.319CS..Hα-helixtrans-57.8-47.5174.3-171.7-174.8141.400111.3L6 D7 N9 L14 K15 V220 T221L6-E11 HydrophobicContact CD2-CB 3.76Å; L6-E11 HydrophobicContact CD2-CG 4.04Å; L6-E11 HydrophobicContact CG-CB 4.15Å; D7-E11 PolarHBondContact O-N 3.13Å; N9-E11 VanDerWaalsContact C-N 3.3Å; N9-E11 PolarHBondContact O-N 2.91Å; E11-L14 PolarHBondContact O-N 3.16Å; E11-K15 WeakPolarHBondContact O-CG 3.3Å; E11-K15 PolarHBondContact O-N 2.9Å; E11-K15 VanDerWaalsContact O-N 3.16Å; E11-K15 VanDerWaalsContact OE1-CE 3.32Å; E11-K15 WeakPolarHBondContact OE1-CE 3.41Å; E11-K15 IonicContact OE1-NZ 2.63Å; E11-K15 PolarHBondContact OE1-NZ 2.83Å; E11-V220 HydrophobicContact CG-CG2 3.6Å; E11-T221 WeakPolarHBondContact CG-OG1 3.42Å; E11-T221 PolarHBondContact OE2-OG1 3.43Å; E11-T221 VanDerWaalsContact OE2-OG1 3.05Å
12Q96.2Very high87.9Confident29 Ų2947.4 Ų47.414%0.13627%0.273CS..Hα-helixtrans-67.4-39.9178.5-172.861.561.300112.4P8 N9 K10 L14 K15 D16 K280P8-Q12 PolarHBondContact O-N 3.42Å; N9-Q12 PolarHBondContact O-N 3.36Å; N9-Q12 VanDerWaalsContact O-N 3.17Å; K10-Q12 VanDerWaalsContact C-N 3.34Å; K10-Q12 PolarHBondContact O-N 3.39Å; Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 3.31Å; Q12-K15 PolarHBondContact O-N 3.43Å; Q12-D16 PolarHBondContact NE2-OD1 3.05Å; Q12-D16 WeakPolarHBondContact O-CB 3.37Å; Q12-D16 PolarHBondContact O-N 3.03Å; Q12-K280 VanDerWaalsContact CD-CD 3.46Å; Q12-K280 HydrophobicContact CG-CB 4.05Å; Q12-K280 HydrophobicContact CG-CD 4.03Å; Q12-K280 HydrophobicContact CG-CG 4.35Å; Q12-K280 VanDerWaalsContact OE1-CE 3.27Å
13E96.4Very high90.6Very high35 Ų3543.2 Ų43.216%0.16424%0.242CC..Hα-helixtrans-60.4-39175.5-74.6-172.8144.900111.8N9 K10 D16 L17 K286 L287N9-E13 WeakPolarHBondContact O-CG 3.42Å; N9-E13 PolarHBondContact O-N 3.05Å; K10-E13 PolarHBondContact O-N 3.41Å; E13-D16 PolarHBondContact O-N 3.19Å; E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 WeakPolarHBondContact O-CG 3.42Å; E13-L17 PolarHBondContact O-N 2.88Å; E13-K286 PolarHBondContact OE1-N 3.19Å; E13-L287 HydrophobicContact CB-CD1 3.81Å; E13-L287 HydrophobicContact CB-CG 4.19Å; E13-L287 VanDerWaalsContact OE2-CD2 3.26Å; E13-L287 WeakPolarHBondContact OE2-CD2 3.29Å; E13-L287 VanDerWaalsContact OE2-CG 3.29Å; E13-L287 WeakPolarHBondContact OE2-CG 3.46Å
14L97.3Very high93Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-67-37.5175.6-71.3168.8000112.5L6 K10 E11 Q12 A18 S48 V49 F52 H53 V220 L287L6-L14 HydrophobicContact CD2-CD1 4.2Å; K10-L14 HydrophobicContact CG-CD1 4.35Å; K10-L14 WeakPolarHBondContact O-CG 3.46Å; K10-L14 PolarHBondContact O-N 2.72Å; E11-L14 PolarHBondContact O-N 3.16Å; Q12-L14 VanDerWaalsContact C-N 3.3Å; Q12-L14 PolarHBondContact O-N 3.31Å; L14-A18 PolarHBondContact O-N 3.47Å; L14-S48 WeakPolarHBondContact CA-OG 3.45Å; L14-S48 PolarHBondContact O-OG 3.36Å; L14-V49 HydrophobicContact CD1-CG2 4.41Å; L14-F52 HydrophobicContact CD2-CB 4.01Å; L14-H53 HydrophobicContact CD1-CB 4.23Å; L14-H53 HydrophobicContact CD2-CB 4.33Å; L14-V220 HydrophobicContact CB-CB 4.36Å; L14-V220 HydrophobicContact CB-CG1 4.25Å; L14-L287 HydrophobicContact CD2-CD1 3.77Å; L14-L287 HydrophobicContact CG-CD1 3.97Å
15K97.7Very high94.9Very high68 Ų6835.3 Ų35.330%0.29619%0.186SC..Hα-helixtrans-65.8-44.4173.4-69.3174.1-174.7172.80111.4E11 Q12 L17 A18 N19 V220E11-K15 WeakPolarHBondContact O-CG 3.3Å; E11-K15 PolarHBondContact O-N 2.9Å; E11-K15 VanDerWaalsContact O-N 3.16Å; E11-K15 VanDerWaalsContact OE1-CE 3.32Å; E11-K15 WeakPolarHBondContact OE1-CE 3.41Å; E11-K15 IonicContact OE1-NZ 2.63Å; E11-K15 PolarHBondContact OE1-NZ 2.83Å; Q12-K15 PolarHBondContact O-N 3.43Å; K15-L17 VanDerWaalsContact C-N 3.33Å; K15-L17 PolarHBondContact O-N 2.85Å; K15-A18 PolarHBondContact O-N 3.17Å; K15-N19 PolarHBondContact O-N 3.09Å; K15-N19 VanDerWaalsContact O-N 3.1Å; K15-N19 PolarHBondContact O-ND2 3.49Å; K15-V220 HydrophobicContact CD-CG2 4.32Å; K15-V220 HydrophobicContact CG-CG1 4.06Å; K15-V220 HydrophobicContact CG-CG2 3.78Å
16D97.8Very high96.2Very high4 Ų429.3 Ų29.32%0.02115%0.15CC..Hα-helixtrans-61.6-43.7177.5-69-11.7000110.6Q12 E13 N19 K20 I279 K280 N281Q12-D16 PolarHBondContact NE2-OD1 3.05Å; Q12-D16 WeakPolarHBondContact O-CB 3.37Å; Q12-D16 PolarHBondContact O-N 3.03Å; E13-D16 PolarHBondContact O-N 3.19Å; D16-N19 PolarHBondContact O-N 3.23Å; D16-K20 WeakPolarHBondContact O-CG 3.34Å; D16-K20 PolarHBondContact O-N 2.63Å; D16-I279 HydrophobicContact CB-CG2 4.11Å; D16-I279 WeakPolarHBondContact OD1-CA 3.42Å; D16-K280 PolarHBondContact OD1-N 2.88Å; D16-K280 PolarHBondContact OD2-N 3Å; D16-N281 VanDerWaalsContact OD2-CB 3.26Å; D16-N281 WeakPolarHBondContact OD2-CB 3.32Å; D16-N281 PolarHBondContact OD2-N 3.46Å; D16-N281 PolarHBondContact OD2-ND2 3.28Å
17L97.3Very high96.8Very high1 Ų132.3 Ų32.31%0.00516%0.16CC..Hα-helixtrans-58.6-48.4172.8-88.4169.6000112.2E13 K15 N19 K20 L21 S48 F52 E87 H285 L287E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 WeakPolarHBondContact O-CG 3.42Å; E13-L17 PolarHBondContact O-N 2.88Å; K15-L17 VanDerWaalsContact C-N 3.33Å; K15-L17 PolarHBondContact O-N 2.85Å; L17-N19 PolarHBondContact O-N 3.37Å; L17-K20 WeakPolarHBondContact O-CA 3.39Å; L17-K20 WeakPolarHBondContact O-CB 3.37Å; L17-K20 PolarHBondContact O-N 2.91Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.4Å; L17-S48 WeakPolarHBondContact CB-OG 3.41Å; L17-F52 HydrophobicContact CD1-CB 3.85Å; L17-F52 HydrophobicContact CD1-CD1 4.14Å; L17-F52 HydrophobicContact CD1-CD2 3.74Å; L17-F52 HydrophobicContact CD1-CE2 4.36Å; L17-F52 HydrophobicContact CD1-CG 3.63Å; L17-F52 HydrophobicContact CD2-CD2 4.45Å; L17-F52 HydrophobicContact CD2-CE2 4.26Å; L17-F52 HydrophobicContact CD2-CZ 4.45Å; L17-E87 HydrophobicContact CD2-CB 3.88Å; L17-E87 HydrophobicContact CD2-CG 3.79Å; L17-E87 WeakPolarHBondContact CD2-OE2 3.42Å; L17-H285 VanDerWaalsContact CD2-CD2 3.43Å; L17-H285 WeakPolarHBondContact CD2-CD2 3.45Å; L17-L287 HydrophobicContact CD1-CB 4.43Å; L17-L287 HydrophobicContact CD1-CD1 3.83Å
18A98.5Very high97.1Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-55.1-41.6177.100000111.4L14 K15 L21 R22 A44 E45L14-A18 PolarHBondContact O-N 3.47Å; K15-A18 PolarHBondContact O-N 3.17Å; A18-L21 PolarHBondContact O-N 3.24Å; A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 2.91Å; A18-A44 HydrophobicContact CB-CB 4.14Å; A18-A44 WeakPolarHBondContact O-CB 3.32Å; A18-E45 HydrophobicContact CB-CB 4.48Å; A18-E45 HydrophobicContact CB-CG 3.9Å
19N98.4Very high97.4Very high11 Ų1124 Ų246%0.05911%0.111CC..Hα-helixtrans-67.1-38.7175.5-70.1-30.5000113.2K15 D16 L17 R22 I23 I275 L278 I279K15-N19 PolarHBondContact O-N 3.09Å; K15-N19 VanDerWaalsContact O-N 3.1Å; K15-N19 PolarHBondContact O-ND2 3.49Å; D16-N19 PolarHBondContact O-N 3.23Å; L17-N19 PolarHBondContact O-N 3.37Å; N19-R22 WeakPolarHBondContact O-CB 3.44Å; N19-R22 PolarHBondContact O-N 3.33Å; N19-R22 PolarHBondContact OD1-NH1 3.23Å; N19-I23 WeakPolarHBondContact O-CG1 3.21Å; N19-I23 PolarHBondContact O-N 2.84Å; N19-I275 HydrophobicContact CB-CG2 3.68Å; N19-L278 WeakPolarHBondContact ND2-CB 3.39Å; N19-I279 HydrophobicContact CB-CD1 4.12Å; N19-I279 HydrophobicContact CB-CG1 3.71Å
20K97.6Very high97.7Very high33 Ų3320.1 Ų20.114%0.1439%0.09CC..Hα-helixtrans-60.8-44171.2-69.9179.6-179.6179.90111.9D16 L17 R22 I23 H24 I279 T283D16-K20 WeakPolarHBondContact O-CG 3.34Å; D16-K20 PolarHBondContact O-N 2.63Å; L17-K20 WeakPolarHBondContact O-CA 3.39Å; L17-K20 WeakPolarHBondContact O-CB 3.37Å; L17-K20 PolarHBondContact O-N 2.91Å; K20-R22 VanDerWaalsContact C-N 3.3Å; K20-R22 PolarHBondContact O-N 2.86Å; K20-I23 PolarHBondContact O-N 3.08Å; K20-I23 VanDerWaalsContact O-N 3.13Å; K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-CD2 3.28Å; K20-H24 VanDerWaalsContact O-CD2 3.24Å; K20-H24 PolarHBondContact O-N 3.33Å; K20-I279 HydrophobicContact CG-CD1 3.95Å; K20-T283 PolarHBondContact NZ-O 3.3Å
21L98.4Very high97.9Very high0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-59.7-39176.4-62.2-177.8000112.1L17 A18 S25 M47 V80 A83 A84 E87L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.4Å; A18-L21 PolarHBondContact O-N 3.24Å; L21-S25 WeakPolarHBondContact O-CB 3.3Å; L21-S25 PolarHBondContact O-N 3.17Å; L21-S25 PolarHBondContact O-OG 3.38Å; L21-M47 HydrophobicContact CD1-CB 3.79Å; L21-V80 HydrophobicContact CB-CG2 4.03Å; L21-V80 HydrophobicContact CD1-CG2 4.41Å; L21-A83 HydrophobicContact CD2-CB 3.64Å; L21-A84 HydrophobicContact CD2-CB 4.23Å; L21-E87 HydrophobicContact CD2-CG 4.1Å
22R98.7Very high98Very high4 Ų418.6 Ų18.62%0.0159%0.094CC..Hα-helixtrans-60.6-51.6171.6-67.6178.7172.789.816.6111.5A18 N19 K20 H24 S25 I26 C41 A44 E45 R248 I275A18-R22 WeakPolarHBondContact O-CG 3.48Å; A18-R22 PolarHBondContact O-N 2.91Å; N19-R22 WeakPolarHBondContact O-CB 3.44Å; N19-R22 PolarHBondContact O-N 3.33Å; N19-R22 PolarHBondContact OD1-NH1 3.23Å; K20-R22 VanDerWaalsContact C-N 3.3Å; K20-R22 PolarHBondContact O-N 2.86Å; R22-H24 PolarHBondContact O-N 3.18Å; R22-S25 PolarHBondContact O-N 3.01Å; R22-I26 VanDerWaalsContact O-CG1 3.32Å; R22-I26 WeakPolarHBondContact O-CG1 3.25Å; R22-I26 PolarHBondContact O-N 2.73Å; R22-C41 HydrophobicContact CG-CB 4.2Å; R22-C41 PolarHBondContact NH2-O 3.06Å; R22-C41 VanDerWaalsContact NH2-O 3.15Å; R22-A44 HydrophobicContact CG-CB 3.78Å; R22-E45 IonicContact CZ-OE1 3.45Å; R22-E45 IonicContact CZ-OE2 2.72Å; R22-E45 IonicContact NH1-OE1 3.4Å; R22-E45 PolarHBondContact NH1-OE1 3.37Å; R22-E45 IonicContact NH1-OE2 3.7Å; R22-E45 IonicContact NH2-OE1 3.82Å; R22-E45 PolarHBondContact NH2-OE1 2.95Å; R22-E45 IonicContact NH2-OE2 2.81Å; R22-E45 PolarHBondContact NH2-OE2 2.96Å; R22-R248 WeakPolarHBondContact CD-O 3.17Å; R22-R248 PolarHBondContact NE-O 2.75Å; R22-R248 VanDerWaalsContact NH2-CG 3.28Å; R22-I275 HydrophobicContact CB-CD1 4.05Å; R22-I275 HydrophobicContact CB-CG2 4.31Å
23I98.3Very high98Very high13 Ų1323.8 Ų23.87%0.06712%0.123CC..Hα-helixtrans-58.6-47.4-179.2-69.3165.4000110.6N19 K20 S25 I26 R27 M272 I275 S276 I279N19-I23 WeakPolarHBondContact O-CG1 3.21Å; N19-I23 PolarHBondContact O-N 2.84Å; K20-I23 PolarHBondContact O-N 3.08Å; K20-I23 VanDerWaalsContact O-N 3.13Å; I23-S25 PolarHBondContact O-N 3.1Å; I23-I26 PolarHBondContact O-N 3.21Å; I23-R27 VanDerWaalsContact O-CB 3.27Å; I23-R27 WeakPolarHBondContact O-CB 3.5Å; I23-R27 PolarHBondContact O-N 3.08Å; I23-M272 HydrophobicContact CG1-CG 4.5Å; I23-M272 HydrophobicContact CG2-CG 4.25Å; I23-M272 HydrophobicContact CG2-SD 4.09Å; I23-I275 HydrophobicContact CD1-CB 4.46Å; I23-I275 HydrophobicContact CD1-CG2 3.95Å; I23-I275 HydrophobicContact CG1-CB 4.19Å; I23-I275 HydrophobicContact CG1-CG2 3.78Å; I23-S276 WeakPolarHBondContact CD1-OG 3.48Å; I23-I279 HydrophobicContact CD1-CD1 3.87Å
24H98.3Very high98.1Very high7 Ų723.9 Ų23.93%0.03213%0.128CC..Hα-helixtrans-60-44.1176.8-73.1-38.3000112.5K20 R22 R27 A28 A83 E87 E93 L96K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-CD2 3.28Å; K20-H24 VanDerWaalsContact O-CD2 3.24Å; K20-H24 PolarHBondContact O-N 3.33Å; R22-H24 PolarHBondContact O-N 3.18Å; H24-R27 PolarHBondContact O-N 3.01Å; H24-A28 VanDerWaalsContact O-CB 3.29Å; H24-A28 WeakPolarHBondContact O-CB 3.41Å; H24-A28 PolarHBondContact O-N 3.49Å; H24-A83 HydrophobicContact CB-CB 3.55Å; H24-E87 IonicContact CD2-OE1 3.44Å; H24-E87 IonicContact NE2-OE1 3.89Å; H24-E87 PolarHBondContact NE2-OE1 3.41Å; H24-E93 IonicContact CE1-OE1 3.15Å; H24-E93 PolarHBondContact CE1-OE1 2.9Å; H24-E93 IonicContact ND1-OE1 2.69Å; H24-L96 HydrophobicContact CB-CD1 3.71Å
25S98.7Very high98.1Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-63.8-44178.1-59.10000112L21 R22 I23 T29 C40L21-S25 WeakPolarHBondContact O-CB 3.3Å; L21-S25 PolarHBondContact O-N 3.17Å; L21-S25 PolarHBondContact O-OG 3.38Å; R22-S25 PolarHBondContact O-N 3.01Å; I23-S25 PolarHBondContact O-N 3.1Å; S25-T29 WeakPolarHBondContact O-CB 3.45Å; S25-T29 VanDerWaalsContact O-CG2 3.29Å; S25-T29 WeakPolarHBondContact O-CG2 3.35Å; S25-T29 PolarHBondContact O-N 3.16Å; S25-T29 VanDerWaalsContact O-N 3.07Å; S25-T29 PolarHBondContact O-OG1 3.4Å; S25-C40 WeakPolarHBondContact OG-CB 3.37Å
26I98.7Very high98.1Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-61.4-50.1175.3-68.5165.1000109.7R22 I23 A28 T29 N30 P37 I250 L264 A268 A271 M272 I275R22-I26 VanDerWaalsContact O-CG1 3.32Å; R22-I26 WeakPolarHBondContact O-CG1 3.25Å; R22-I26 PolarHBondContact O-N 2.73Å; I23-I26 PolarHBondContact O-N 3.21Å; I26-A28 PolarHBondContact O-N 3.17Å; I26-T29 PolarHBondContact O-N 3.41Å; I26-T29 PolarHBondContact O-OG1 3.09Å; I26-T29 VanDerWaalsContact O-OG1 3.11Å; I26-N30 VanDerWaalsContact O-CB 3.29Å; I26-N30 WeakPolarHBondContact O-CB 3.47Å; I26-N30 PolarHBondContact O-N 3.08Å; I26-P37 HydrophobicContact CG1-CB 4.19Å; I26-I250 HydrophobicContact CD1-CD1 4.2Å; I26-I250 HydrophobicContact CD1-CG1 4.14Å; I26-L264 HydrophobicContact CB-CD1 4.48Å; I26-L264 HydrophobicContact CD1-CD1 3.96Å; I26-L264 HydrophobicContact CG1-CD1 3.88Å; I26-L264 HydrophobicContact CG2-CD1 3.79Å; I26-L264 HydrophobicContact CG2-CG 4.45Å; I26-A268 HydrophobicContact CG2-CB 3.89Å; I26-A271 HydrophobicContact CD1-CB 4.44Å; I26-M272 HydrophobicContact CB-CG 4.15Å; I26-M272 HydrophobicContact CB-SD 4.43Å; I26-M272 HydrophobicContact CD1-CG 4.39Å; I26-M272 HydrophobicContact CG2-CG 3.74Å; I26-M272 HydrophobicContact CG2-SD 3.99Å; I26-I275 HydrophobicContact CD1-CD1 3.61Å
27R98.3Very high98.2Very high81 Ų8121.8 Ų21.831%0.30612%0.119SC..Hα-helixtrans-59.2-47.8-178.7-168.2-172.2-60.5153.5-2.7112.2I23 H24 A31 E93 L97 M272I23-R27 VanDerWaalsContact O-CB 3.27Å; I23-R27 WeakPolarHBondContact O-CB 3.5Å; I23-R27 PolarHBondContact O-N 3.08Å; H24-R27 PolarHBondContact O-N 3.01Å; R27-A31 WeakPolarHBondContact O-CB 3.46Å; R27-A31 PolarHBondContact O-N 2.87Å; R27-E93 IonicContact CZ-OE1 3.84Å; R27-E93 IonicContact NH1-OE1 2.7Å; R27-E93 PolarHBondContact NH1-OE1 3.3Å; R27-L97 HydrophobicContact CG-CD2 3.75Å; R27-M272 HydrophobicContact CB-SD 4.14Å
28A98.5Very high98.2Very high1 Ų121.8 Ų21.81%0.00812%0.119CC..Hα-helixtrans-64.1-47.6-179.200000111.8H24 I26 A31 S32 L96 L99H24-A28 VanDerWaalsContact O-CB 3.29Å; H24-A28 WeakPolarHBondContact O-CB 3.41Å; H24-A28 PolarHBondContact O-N 3.49Å; I26-A28 PolarHBondContact O-N 3.17Å; A28-A31 PolarHBondContact O-N 3.4Å; A28-S32 PolarHBondContact O-N 3.08Å; A28-S32 VanDerWaalsContact O-N 3.11Å; A28-L96 HydrophobicContact CB-CB 4.22Å; A28-L96 VanDerWaalsContact CB-O 3.28Å; A28-L96 WeakPolarHBondContact CB-O 3.41Å; A28-L99 HydrophobicContact CB-CB 4.24Å; A28-L99 HydrophobicContact CB-CD2 3.75Å
29T98.6Very high98.2Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-66.6-40.1-179.4540000112S25 I26 S32 N33 S34 P79 L99S25-T29 WeakPolarHBondContact O-CB 3.45Å; S25-T29 VanDerWaalsContact O-CG2 3.29Å; S25-T29 WeakPolarHBondContact O-CG2 3.35Å; S25-T29 PolarHBondContact O-N 3.16Å; S25-T29 VanDerWaalsContact O-N 3.07Å; S25-T29 PolarHBondContact O-OG1 3.4Å; I26-T29 PolarHBondContact O-N 3.41Å; I26-T29 PolarHBondContact O-OG1 3.09Å; I26-T29 VanDerWaalsContact O-OG1 3.11Å; T29-S32 PolarHBondContact O-N 3.03Å; T29-S32 PolarHBondContact O-OG 3.41Å; T29-N33 PolarHBondContact O-N 2.88Å; T29-N33 VanDerWaalsContact O-N 3.13Å; T29-S34 CarbonylContact C-O 3.47Å; T29-S34 WeakPolarHBondContact CA-O 3.28Å; T29-S34 WeakPolarHBondContact CB-O 3.45Å; T29-S34 PolarHBondContact O-N 3.21Å; T29-P79 HydrophobicContact CG2-CB 4.28Å; T29-P79 HydrophobicContact CG2-CG 3.77Å; T29-L99 HydrophobicContact CG2-CD2 4.12Å
30N98.1Very high98.3Very high34 Ų3421.2 Ų21.218%0.18212%0.116CC..Hα-helixtrans-61.3-43.5171.5-94.558000112.6I26 S32 N33 L264 G265 A268I26-N30 VanDerWaalsContact O-CB 3.29Å; I26-N30 WeakPolarHBondContact O-CB 3.47Å; I26-N30 PolarHBondContact O-N 3.08Å; N30-S32 PolarHBondContact O-N 2.9Å; N30-N33 PolarHBondContact O-N 3.49Å; N30-N33 VanDerWaalsContact O-N 3.13Å; N30-N33 PolarHBondContact O-OD1 2.83Å; N30-L264 PolarHBondContact OD1-N 3.28Å; N30-G265 PolarHBondContact ND2-N 3.11Å; N30-G265 PolarHBondContact ND2-O 2.9Å; N30-G265 PolarHBondContact OD1-N 3.48Å; N30-A268 VanDerWaalsContact CG-CB 3.49Å; N30-A268 WeakPolarHBondContact ND2-CB 3.28Å
31A97.9Very high98.3Very high45 Ų4519.7 Ų19.737%0.37211%0.11SC..Hα-helixtrans-61.6-32.6177.800000112.8R27 A28 L97R27-A31 WeakPolarHBondContact O-CB 3.46Å; R27-A31 PolarHBondContact O-N 2.87Å; A28-A31 PolarHBondContact O-N 3.4Å; A31-L97 HydrophobicContact CB-CD2 4.04Å
32S97.6Very high98.3Very high25 Ų2519.7 Ų19.718%0.17511%0.11CC..THydrogen-bonded Turntrans-88-2.9177.876.50000114.7A28 T29 N30 S34 L99A28-S32 PolarHBondContact O-N 3.08Å; A28-S32 VanDerWaalsContact O-N 3.11Å; T29-S32 PolarHBondContact O-N 3.03Å; T29-S32 PolarHBondContact O-OG 3.41Å; N30-S32 PolarHBondContact O-N 2.9Å; S32-S34 PolarHBondContact O-N 3.02Å; S32-S34 PolarHBondContact O-OG 2.79Å; S32-S34 PolarHBondContact OG-N 2.91Å; S32-S34 PolarHBondContact OG-O 2.95Å; S32-L99 WeakPolarHBondContact CB-O 3.45Å
33N97.6Very high98.3Very high138 Ų13819.5 Ų19.574%0.73811%0.109SC*.THydrogen-bonded Turntrans49.924.1-171-66.6-47.8000114.4T29 N30T29-N33 PolarHBondContact O-N 2.88Å; T29-N33 VanDerWaalsContact O-N 3.13Å; N30-N33 PolarHBondContact O-N 3.49Å; N30-N33 VanDerWaalsContact O-N 3.13Å; N30-N33 PolarHBondContact O-OD1 2.83Å
34S97.7Very high98.4Very high37 Ų3718.9 Ų18.926%0.25911%0.106SC..  trans-158.5170.4178.967.90000111.3T29 S32 R100T29-S34 CarbonylContact C-O 3.47Å; T29-S34 WeakPolarHBondContact CA-O 3.28Å; T29-S34 WeakPolarHBondContact CB-O 3.45Å; T29-S34 PolarHBondContact O-N 3.21Å; S32-S34 PolarHBondContact O-N 3.02Å; S32-S34 PolarHBondContact O-OG 2.79Å; S32-S34 PolarHBondContact OG-N 2.91Å; S32-S34 PolarHBondContact OG-O 2.95Å; S34-R100 WeakPolarHBondContact OG-CD 3.38Å; S34-R100 PolarHBondContact OG-NH1 3.01Å; S34-R100 VanDerWaalsContact OG-NH1 3.17Å
35G97.5Very high98.4Very high3 Ų319.1 Ų19.13%0.03111%0.107CC..SBendtrans109.9-169175.500000114.2P37 G261 K262G35-P37 VanDerWaalsContact C-CD 3.49Å; G35-P37 WeakPolarHBondContact O-CD 3.46Å; G35-G261 CarbonylContact O-C 3.58Å; G35-G261 WeakPolarHBondContact O-CA 3.33Å; G35-K262 PolarHBondContact O-N 2.79Å
36H98.6Very high98.4Very high24 Ų2419.1 Ų19.111%0.11111%0.107CC..  trans-126.859.4-158.8-46.585.6000113.2T38 S39 C40 H76 H260 G261H36-T38 VanDerWaalsContact C-N 3.29Å; H36-T38 PolarHBondContact O-N 2.88Å; H36-S39 PolarHBondContact O-N 2.84Å; H36-S39 VanDerWaalsContact O-N 3.13Å; H36-C40 PolarHBondContact O-N 3.25Å; H36-C40 VanDerWaalsContact O-N 3.14Å; H36-C40 PolarHBondContact O-SG 3.15Å; H36-H76 WeakPolarHBondContact CB-O 3.47Å; H36-H76 PolarHBondContact ND1-O 2.99Å; H36-H260 AromaticContact CD2-CE1 3.87Å; H36-H260 AromaticContact CD2-NE2 3.72Å; H36-G261 WeakPolarHBondContact CD2-CA 3.29Å
37P98.4Very high98.4Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-59.5-38.1-175.824.3-33.1000112.6I26 G35 S39 C40 C41 K262 L264I26-P37 HydrophobicContact CG1-CB 4.19Å; G35-P37 VanDerWaalsContact C-CD 3.49Å; G35-P37 WeakPolarHBondContact O-CD 3.46Å; P37-S39 VanDerWaalsContact C-N 3.28Å; P37-S39 PolarHBondContact O-N 3.38Å; P37-C40 WeakPolarHBondContact O-CB 3.1Å; P37-C40 PolarHBondContact O-N 2.88Å; P37-C40 VanDerWaalsContact O-N 3.14Å; P37-C41 PolarHBondContact O-N 3.14Å; P37-C41 PolarHBondContact O-SG 3.35Å; P37-K262 VanDerWaalsContact CD-O 3.29Å; P37-K262 WeakPolarHBondContact CD-O 3.19Å; P37-K262 VanDerWaalsContact CG-O 3.25Å; P37-K262 WeakPolarHBondContact CG-O 3.16Å; P37-L264 HydrophobicContact CG-CD2 4.49Å; P37-L264 HydrophobicContact CG-CG 4.29Å
38T98.6Very high98.4Very high1 Ų115.3 Ų15.31%0.0069%0.092CC..Hα-helixtrans-64.8-32.7179.556.80000113.3H36 S42 G247 I250 V253 W259H36-T38 VanDerWaalsContact C-N 3.29Å; H36-T38 PolarHBondContact O-N 2.88Å; T38-S42 PolarHBondContact O-N 2.87Å; T38-G247 PolarHBondContact O-N 3.46Å; T38-I250 HydrophobicContact CG2-CD1 4.47Å; T38-V253 HydrophobicContact CG2-CG1 3.55Å; T38-W259 HydrophobicContact CG2-CB 3.88Å; T38-W259 PolarHBondContact OG1-O 3.22Å
39S98.7Very high98.4Very high0 Ų015.2 Ų15.20%09%0.092CC..Hα-helixtrans-80.1-21.9177.4-510000112.4H36 P37 S42 K74 K246 H260H36-S39 PolarHBondContact O-N 2.84Å; H36-S39 VanDerWaalsContact O-N 3.13Å; P37-S39 VanDerWaalsContact C-N 3.28Å; P37-S39 PolarHBondContact O-N 3.38Å; S39-S42 PolarHBondContact O-OG 3.02Å; S39-K74 PolarHBondContact O-NZ 3.32Å; S39-K246 WeakPolarHBondContact OG-CE 3.49Å; S39-H260 PolarHBondContact OG-ND1 3.29Å
40C98.8Very high98.4Very high0 Ų015.2 Ų15.20%09%0.092CC..Hα-helixtrans-74.5-44.2170-630000110.6S25 H36 P37 S42 A43 A44 V80S25-C40 WeakPolarHBondContact OG-CB 3.37Å; H36-C40 PolarHBondContact O-N 3.25Å; H36-C40 VanDerWaalsContact O-N 3.14Å; H36-C40 PolarHBondContact O-SG 3.15Å; P37-C40 WeakPolarHBondContact O-CB 3.1Å; P37-C40 PolarHBondContact O-N 2.88Å; P37-C40 VanDerWaalsContact O-N 3.14Å; C40-S42 PolarHBondContact O-N 3.16Å; C40-A43 PolarHBondContact O-N 3.49Å; C40-A43 VanDerWaalsContact O-N 3.11Å; C40-A44 PolarHBondContact O-N 2.95Å; C40-V80 HydrophobicContact CB-CB 3.85Å; C40-V80 HydrophobicContact CB-CG2 4.47Å
41C98.8Very high98.4Very high0 Ų013.8 Ų13.80%08%0.084CC..Hα-helixtrans-65.8-31.8-175.2-67.50000114.2R22 P37 A43 R248 I250R22-C41 HydrophobicContact CG-CB 4.2Å; R22-C41 PolarHBondContact NH2-O 3.06Å; R22-C41 VanDerWaalsContact NH2-O 3.15Å; P37-C41 PolarHBondContact O-N 3.14Å; P37-C41 PolarHBondContact O-SG 3.35Å; C41-A43 VanDerWaalsContact C-N 3.26Å; C41-A43 PolarHBondContact O-N 3.05Å; C41-R248 WeakPolarHBondContact CB-O 3.29Å; C41-I250 HydrophobicContact CB-CD1 4.46Å
42S98.8Very high98.4Very high0 Ų011.8 Ų11.80%07%0.067CC..THydrogen-bonded Turntrans-64.8-30.5173.657.80000112.7T38 S39 C40 D182 H218 T244 F245T38-S42 PolarHBondContact O-N 2.87Å; S39-S42 PolarHBondContact O-OG 3.02Å; C40-S42 PolarHBondContact O-N 3.16Å; S42-D182 WeakPolarHBondContact CB-OD1 3.33Å; S42-D182 PolarHBondContact OG-OD1 2.79Å; S42-D182 PolarHBondContact OG-OD2 2.61Å; S42-H218 PolarHBondContact O-CE1 2.88Å; S42-T244 WeakPolarHBondContact O-CG2 3.27Å; S42-F245 WeakPolarHBondContact CB-O 3.25Å
43A98.8Very high98.3Very high0 Ų012.2 Ų12.20%07%0.066CC..THydrogen-bonded Turntrans-96.32.7-176.700000114C40 C41 E45 I46 M47C40-A43 PolarHBondContact O-N 3.49Å; C40-A43 VanDerWaalsContact O-N 3.11Å; C41-A43 VanDerWaalsContact C-N 3.26Å; C41-A43 PolarHBondContact O-N 3.05Å; A43-E45 PolarHBondContact O-N 3.34Å; A43-I46 WeakPolarHBondContact O-CB 3.49Å; A43-I46 PolarHBondContact O-N 2.71Å; A43-M47 HydrophobicContact CB-CG 4.38Å; A43-M47 VanDerWaalsContact O-CG 3.27Å; A43-M47 WeakPolarHBondContact O-CG 3.15Å; A43-M47 PolarHBondContact O-N 2.97Å
44A98.9Very high98.3Very high0 Ų05.7 Ų5.70%03%0.031CC..Hα-helixtrans-62.9-44.1-167.700000113.8A18 R22 C40 M47 S48A18-A44 HydrophobicContact CB-CB 4.14Å; A18-A44 WeakPolarHBondContact O-CB 3.32Å; R22-A44 HydrophobicContact CG-CB 3.78Å; C40-A44 PolarHBondContact O-N 2.95Å; A44-M47 PolarHBondContact O-N 3.4Å; A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3.41Å
45E98.8Very high98.3Very high13 Ų134 Ų46%0.0612%0.019CC..Hα-helixtrans-66.9-39.8174.5-71.875.6-159.700112A18 R22 A43 M47 S48 V49 G217 H218 V220 L223A18-E45 HydrophobicContact CB-CB 4.48Å; A18-E45 HydrophobicContact CB-CG 3.9Å; R22-E45 IonicContact CZ-OE1 3.45Å; R22-E45 IonicContact CZ-OE2 2.72Å; R22-E45 IonicContact NH1-OE1 3.4Å; R22-E45 PolarHBondContact NH1-OE1 3.37Å; R22-E45 IonicContact NH1-OE2 3.7Å; R22-E45 IonicContact NH2-OE1 3.82Å; R22-E45 PolarHBondContact NH2-OE1 2.95Å; R22-E45 IonicContact NH2-OE2 2.81Å; R22-E45 PolarHBondContact NH2-OE2 2.96Å; A43-E45 PolarHBondContact O-N 3.34Å; E45-M47 VanDerWaalsContact C-N 3.32Å; E45-M47 PolarHBondContact O-N 3.45Å; E45-S48 PolarHBondContact O-N 2.97Å; E45-V49 WeakPolarHBondContact O-CB 3.28Å; E45-V49 WeakPolarHBondContact O-CG2 3.37Å; E45-V49 PolarHBondContact O-N 3.21Å; E45-G217 WeakPolarHBondContact CB-O 3Å; E45-H218 IonicContact OE2-CE1 3.18Å; E45-H218 IonicContact OE2-CG 2.82Å; E45-H218 IonicContact OE2-ND1 2.71Å; E45-H218 PolarHBondContact OE2-ND1 2.91Å; E45-V220 HydrophobicContact CB-CG1 4.05Å; E45-V220 HydrophobicContact CG-CG1 3.77Å; E45-L223 HydrophobicContact CB-CD1 3.76Å
46I98.9Very high98.3Very high0 Ų06.8 Ų6.80%03%0.029CC..Hα-helixtrans-56.3-49.2175.8-65.9166.3000109.7A43 L50 V151 I180 L223 A242 T244A43-I46 WeakPolarHBondContact O-CB 3.49Å; A43-I46 PolarHBondContact O-N 2.71Å; I46-L50 HydrophobicContact CG2-CD1 3.78Å; I46-L50 HydrophobicContact CG2-CG 4.38Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.34Å; I46-L50 VanDerWaalsContact O-CG 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.46Å; I46-L50 PolarHBondContact O-N 2.87Å; I46-V151 HydrophobicContact CG2-CG2 4.15Å; I46-I180 HydrophobicContact CD1-CG2 3.87Å; I46-I180 HydrophobicContact CG1-CG2 4.32Å; I46-I180 HydrophobicContact CG2-CG2 3.96Å; I46-L223 HydrophobicContact CG1-CD1 4.13Å; I46-L223 HydrophobicContact CG1-CD2 4.05Å; I46-A242 HydrophobicContact CD1-CB 3.93Å; I46-T244 HydrophobicContact CD1-CG2 4.39Å
47M98.7Very high98.1Very high0 Ų06 Ų60%03%0.025CC..Hα-helixtrans-65.2-44.6179.5-66.9-61-66.300112.2L21 A43 A44 E45 V49 L50 F51 F70 V80 L81 A84L21-M47 HydrophobicContact CD1-CB 3.79Å; A43-M47 HydrophobicContact CB-CG 4.38Å; A43-M47 VanDerWaalsContact O-CG 3.27Å; A43-M47 WeakPolarHBondContact O-CG 3.15Å; A43-M47 PolarHBondContact O-N 2.97Å; A44-M47 PolarHBondContact O-N 3.4Å; E45-M47 VanDerWaalsContact C-N 3.32Å; E45-M47 PolarHBondContact O-N 3.45Å; M47-V49 PolarHBondContact O-N 3.33Å; M47-L50 PolarHBondContact O-N 3.24Å; M47-F51 HydrophobicContact CE-CD2 3.94Å; M47-F51 HydrophobicContact CE-CE2 3.37Å; M47-F51 HydrophobicContact CE-CZ 4.17Å; M47-F51 WeakPolarHBondContact O-CB 3.26Å; M47-F51 WeakPolarHBondContact O-CD2 3.29Å; M47-F51 PolarHBondContact O-N 2.88Å; M47-F51 HydrophobicContact SD-CE2 4.39Å; M47-F70 HydrophobicContact CE-CE1 3.88Å; M47-F70 HydrophobicContact CE-CZ 3.71Å; M47-F70 HydrophobicContact SD-CE1 4.2Å; M47-F70 HydrophobicContact SD-CE2 4.06Å; M47-F70 HydrophobicContact SD-CZ 3.42Å; M47-F70 WeakPolarHBondContact SD-CZ 3.36Å; M47-V80 HydrophobicContact CB-CG2 4.31Å; M47-V80 HydrophobicContact CE-CG1 4.29Å; M47-V80 HydrophobicContact CG-CG1 3.75Å; M47-V80 HydrophobicContact CG-CG2 3.96Å; M47-V80 HydrophobicContact SD-CG1 4.3Å; M47-L81 HydrophobicContact CE-CB 4.33Å; M47-L81 HydrophobicContact CE-CD1 4.26Å; M47-A84 HydrophobicContact CE-CB 4.19Å
48S98.5Very high97.9Very high0 Ų08.4 Ų8.40%04%0.038CC..Hα-helixtrans-57.4-50.3176.9177.60000111.4L14 L17 A44 E45 F52L14-S48 WeakPolarHBondContact CA-OG 3.45Å; L14-S48 PolarHBondContact O-OG 3.36Å; L17-S48 WeakPolarHBondContact CB-OG 3.41Å; A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3.41Å; E45-S48 PolarHBondContact O-N 2.97Å; S48-F52 WeakPolarHBondContact O-CB 3.29Å; S48-F52 WeakPolarHBondContact O-CD2 3.4Å; S48-F52 PolarHBondContact O-N 2.86Å
49V98.6Very high97.5Very high0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-67.6-42.9179.9175.50000111.4L14 E45 M47 H53 E54 V220 L223 F227L14-V49 HydrophobicContact CD1-CG2 4.41Å; E45-V49 WeakPolarHBondContact O-CB 3.28Å; E45-V49 WeakPolarHBondContact O-CG2 3.37Å; E45-V49 PolarHBondContact O-N 3.21Å; M47-V49 PolarHBondContact O-N 3.33Å; V49-H53 HydrophobicContact CG1-CB 4.36Å; V49-H53 WeakPolarHBondContact O-CA 3.47Å; V49-H53 VanDerWaalsContact O-CB 3.3Å; V49-H53 WeakPolarHBondContact O-CB 3.44Å; V49-H53 PolarHBondContact O-N 2.69Å; V49-H53 VanDerWaalsContact O-N 3.08Å; V49-E54 PolarHBondContact O-N 3.11Å; V49-V220 HydrophobicContact CG2-CB 3.99Å; V49-V220 HydrophobicContact CG2-CG1 4.13Å; V49-L223 HydrophobicContact CB-CB 4.28Å; V49-L223 HydrophobicContact CG1-CB 4.11Å; V49-L223 HydrophobicContact CG2-CB 4.01Å; V49-L223 HydrophobicContact CG2-CD1 4.22Å; V49-F227 HydrophobicContact CB-CE2 4.26Å; V49-F227 HydrophobicContact CG1-CD2 3.62Å; V49-F227 HydrophobicContact CG1-CE2 3.67Å
50L98.4Very high97.2Very high0 Ų018.2 Ų18.20%09%0.089CC..Iπ-helixtrans-60.1-53.5178.9-77.1175.8000111.4I46 M47 E54 M55 F70 F149 V151 I180 F227I46-L50 HydrophobicContact CG2-CD1 3.78Å; I46-L50 HydrophobicContact CG2-CG 4.38Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.34Å; I46-L50 VanDerWaalsContact O-CG 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.46Å; I46-L50 PolarHBondContact O-N 2.87Å; M47-L50 PolarHBondContact O-N 3.24Å; L50-E54 HydrophobicContact CD2-CB 4.4Å; L50-E54 HydrophobicContact CD2-CG 4.3Å; L50-E54 PolarHBondContact O-N 2.64Å; L50-M55 HydrophobicContact CB-CE 4.12Å; L50-M55 HydrophobicContact CB-CG 4.37Å; L50-M55 HydrophobicContact CB-SD 4.42Å; L50-M55 HydrophobicContact CD2-CG 4.41Å; L50-M55 VanDerWaalsContact O-CB 3.24Å; L50-M55 WeakPolarHBondContact O-CB 3.3Å; L50-M55 VanDerWaalsContact O-CG 3.28Å; L50-M55 WeakPolarHBondContact O-CG 3.46Å; L50-M55 PolarHBondContact O-N 3.27Å; L50-F70 HydrophobicContact CD1-CD2 4.28Å; L50-F70 HydrophobicContact CD1-CE2 3.76Å; L50-F149 HydrophobicContact CD2-CB 4.39Å; L50-F149 HydrophobicContact CD2-CD1 3.51Å; L50-F149 HydrophobicContact CD2-CE1 3.91Å; L50-F149 HydrophobicContact CD2-CG 4.02Å; L50-V151 HydrophobicContact CD1-CG2 4.1Å; L50-I180 HydrophobicContact CD1-CD1 4.21Å; L50-F227 HydrophobicContact CD1-CZ 4.44Å; L50-F227 HydrophobicContact CD2-CD1 4.28Å; L50-F227 HydrophobicContact CD2-CD2 4.24Å; L50-F227 HydrophobicContact CD2-CE1 3.78Å; L50-F227 HydrophobicContact CD2-CE2 3.73Å; L50-F227 HydrophobicContact CD2-CZ 3.48Å; L50-F227 VanDerWaalsContact CD2-CZ 3.48Å; L50-F227 HydrophobicContact CG-CE2 3.98Å; L50-F227 HydrophobicContact CG-CZ 3.81Å
51F97.7Very high97Very high3 Ų321.9 Ų21.91%0.01311%0.108CC..Iπ-helixtrans-74.1-40.7-174.2-82.2-104.4000113.2M47 M55 F70 L81 A84 W85 I289M47-F51 HydrophobicContact CE-CD2 3.94Å; M47-F51 HydrophobicContact CE-CE2 3.37Å; M47-F51 HydrophobicContact CE-CZ 4.17Å; M47-F51 WeakPolarHBondContact O-CB 3.26Å; M47-F51 WeakPolarHBondContact O-CD2 3.29Å; M47-F51 PolarHBondContact O-N 2.88Å; M47-F51 HydrophobicContact SD-CE2 4.39Å; F51-M55 HydrophobicContact CB-CE 4.39Å; F51-M55 HydrophobicContact CD1-CE 3.97Å; F51-M55 HydrophobicContact CD2-CE 3.39Å; F51-M55 HydrophobicContact CE1-CE 4.02Å; F51-M55 HydrophobicContact CE2-CE 3.44Å; F51-M55 VanDerWaalsContact CE2-CE 3.44Å; F51-M55 HydrophobicContact CG-CE 3.66Å; F51-M55 HydrophobicContact CZ-CE 3.77Å; F51-F70 HydrophobicContact CE2-CD1 4.12Å; F51-F70 HydrophobicContact CE2-CD2 4.27Å; F51-F70 HydrophobicContact CE2-CE1 4.18Å; F51-F70 HydrophobicContact CE2-CE2 4.33Å; F51-F70 HydrophobicContact CE2-CG 4.17Å; F51-F70 HydrophobicContact CE2-CZ 4.31Å; F51-F70 HydrophobicContact CZ-CD1 4.05Å; F51-F70 HydrophobicContact CZ-CE1 4.42Å; F51-F70 HydrophobicContact CZ-CG 4.26Å; F51-L81 HydrophobicContact CE2-CD1 4.39Å; F51-L81 HydrophobicContact CZ-CD1 3.7Å; F51-A84 HydrophobicContact CD1-CB 4.06Å; F51-A84 HydrophobicContact CD2-CB 4.07Å; F51-A84 HydrophobicContact CE1-CB 4.24Å; F51-A84 HydrophobicContact CE2-CB 4.27Å; F51-A84 HydrophobicContact CG-CB 3.98Å; F51-A84 HydrophobicContact CZ-CB 4.35Å; F51-W85 HydrophobicContact CE1-CD2 4.38Å; F51-W85 AromaticContact CE1-CE2 3.78Å; F51-W85 HydrophobicContact CE1-CZ2 4.12Å; F51-W85 AromaticContact CE1-NE1 3.59Å; F51-W85 AromaticContact CZ-NE1 3.96Å; F51-I289 HydrophobicContact CD1-CD1 3.87Å; F51-I289 WeakPolarHBondContact O-CG1 3.39Å
52F97.3Very high96.7Very high3 Ų322 Ų221%0.01311%0.109CC..Iπ-helixtrans-108.17.5-168.1-58.1-82.5000114.1L14 L17 S48 E87 A88 H285 L287L14-F52 HydrophobicContact CD2-CB 4.01Å; L17-F52 HydrophobicContact CD1-CB 3.85Å; L17-F52 HydrophobicContact CD1-CD1 4.14Å; L17-F52 HydrophobicContact CD1-CD2 3.74Å; L17-F52 HydrophobicContact CD1-CE2 4.36Å; L17-F52 HydrophobicContact CD1-CG 3.63Å; L17-F52 HydrophobicContact CD2-CD2 4.45Å; L17-F52 HydrophobicContact CD2-CE2 4.26Å; L17-F52 HydrophobicContact CD2-CZ 4.45Å; S48-F52 WeakPolarHBondContact O-CB 3.29Å; S48-F52 WeakPolarHBondContact O-CD2 3.4Å; S48-F52 PolarHBondContact O-N 2.86Å; F52-E87 HydrophobicContact CE1-CB 4.23Å; F52-E87 HydrophobicContact CE2-CB 4.13Å; F52-E87 HydrophobicContact CZ-CB 3.48Å; F52-E87 VanDerWaalsContact CZ-CB 3.48Å; F52-A88 HydrophobicContact CE1-CB 4.44Å; F52-A88 HydrophobicContact CZ-CB 4.39Å; F52-H285 AromaticContact CE1-CE1 3.91Å; F52-L287 HydrophobicContact CB-CB 4.1Å; F52-L287 HydrophobicContact CB-CD1 4.15Å; F52-L287 HydrophobicContact CD1-CB 4.31Å
53H96.8Very high96.5Very high34 Ų3426 Ų2616%0.15712%0.124CC..Iπ-helixtrans-138.4-50.5173.2-175.7102.4000113.2K10 L14 V49 N290K10-H53 VanDerWaalsContact CE-ND1 3.3Å; K10-H53 WeakPolarHBondContact CE-ND1 3.28Å; K10-H53 PolarHBondContact NZ-ND1 2.75Å; L14-H53 HydrophobicContact CD1-CB 4.23Å; L14-H53 HydrophobicContact CD2-CB 4.33Å; V49-H53 HydrophobicContact CG1-CB 4.36Å; V49-H53 WeakPolarHBondContact O-CA 3.47Å; V49-H53 VanDerWaalsContact O-CB 3.3Å; V49-H53 WeakPolarHBondContact O-CB 3.44Å; V49-H53 PolarHBondContact O-N 2.69Å; V49-H53 VanDerWaalsContact O-N 3.08Å; H53-N290 PolarHBondContact O-ND2 3.45Å; H53-N290 VanDerWaalsContact O-ND2 3.16Å
54E97.4Very high96.4Very high2 Ų227 Ų271%0.00913%0.129CC..Iπ-helixtrans-88.7-55.1-16617759.1-154.600114.2V49 L50 F149 F227 R231V49-E54 PolarHBondContact O-N 3.11Å; L50-E54 HydrophobicContact CD2-CB 4.4Å; L50-E54 HydrophobicContact CD2-CG 4.3Å; L50-E54 PolarHBondContact O-N 2.64Å; E54-F149 HydrophobicContact CG-CE1 3.72Å; E54-F149 HydrophobicContact CG-CZ 3.62Å; E54-F227 HydrophobicContact CB-CB 4.28Å; E54-F227 HydrophobicContact CB-CD2 4.16Å; E54-F227 HydrophobicContact CB-CG 4.39Å; E54-F227 HydrophobicContact CG-CB 3.65Å; E54-F227 HydrophobicContact CG-CD2 4.21Å; E54-F227 HydrophobicContact CG-CG 3.93Å; E54-F227 VanDerWaalsContact OE2-CB 3.28Å; E54-F227 WeakPolarHBondContact OE2-CB 3.3Å; E54-R231 VanDerWaalsContact CD-NE 3.32Å; E54-R231 PolarHBondContact O-NH2 2.54Å; E54-R231 VanDerWaalsContact O-NH2 3.11Å; E54-R231 IonicContact OE1-CZ 3.22Å; E54-R231 IonicContact OE1-NE 3.12Å; E54-R231 PolarHBondContact OE1-NE 3Å; E54-R231 IonicContact OE1-NH2 3.54Å; E54-R231 PolarHBondContact OE1-NH2 3.1Å; E54-R231 IonicContact OE2-CZ 3.46Å; E54-R231 IonicContact OE2-NE 2.85Å; E54-R231 PolarHBondContact OE2-NE 2.91Å; E54-R231 IonicContact OE2-NH2 3.7Å; E54-R231 PolarHBondContact OE2-NH2 3.38Å
55M97.6Very high96.3Very high1 Ų128.4 Ų28.41%0.00514%0.137CC..  trans-73.6153.9-171.4-65.5-167.3-57.900111.7L50 F51 D68 F70 F149L50-M55 HydrophobicContact CB-CE 4.12Å; L50-M55 HydrophobicContact CB-CG 4.37Å; L50-M55 HydrophobicContact CB-SD 4.42Å; L50-M55 HydrophobicContact CD2-CG 4.41Å; L50-M55 VanDerWaalsContact O-CB 3.24Å; L50-M55 WeakPolarHBondContact O-CB 3.3Å; L50-M55 VanDerWaalsContact O-CG 3.28Å; L50-M55 WeakPolarHBondContact O-CG 3.46Å; L50-M55 PolarHBondContact O-N 3.27Å; F51-M55 HydrophobicContact CB-CE 4.39Å; F51-M55 HydrophobicContact CD1-CE 3.97Å; F51-M55 HydrophobicContact CD2-CE 3.39Å; F51-M55 HydrophobicContact CE1-CE 4.02Å; F51-M55 HydrophobicContact CE2-CE 3.44Å; F51-M55 VanDerWaalsContact CE2-CE 3.44Å; F51-M55 HydrophobicContact CG-CE 3.66Å; F51-M55 HydrophobicContact CZ-CE 3.77Å; M55-D68 WeakPolarHBondContact CA-OD2 3.37Å; M55-D68 HydrophobicContact CB-CB 4.41Å; M55-F70 HydrophobicContact CE-CB 4.26Å; M55-F70 HydrophobicContact CE-CD2 4.23Å; M55-F70 HydrophobicContact CE-CG 4.38Å; M55-F70 HydrophobicContact SD-CB 3.94Å; M55-F70 HydrophobicContact SD-CD2 4.01Å; M55-F70 HydrophobicContact SD-CG 4.35Å; M55-F149 HydrophobicContact CG-CD2 3.69Å; M55-F149 HydrophobicContact CG-CE2 3.7Å; M55-F149 HydrophobicContact CG-CG 4.31Å; M55-F149 HydrophobicContact CG-CZ 4.32Å; M55-F149 HydrophobicContact SD-CB 4.38Å; M55-F149 HydrophobicContact SD-CD2 3.82Å; M55-F149 HydrophobicContact SD-CE2 4.42Å; M55-F149 HydrophobicContact SD-CG 4.26Å
56R97.3Very high96.3Very high62 Ų6228.6 Ų28.623%0.23414%0.137CC..BIsolated β-bridgetrans-116121.1169.7-58.9174.2-67-176.51.6109.5S67 D68 D145 N290 P292R56-S67 CarbonylContact O-C 3.53Å; R56-D68 PolarHBondContact N-OD2 2.93Å; R56-D68 WeakPolarHBondContact O-CB 3.47Å; R56-D68 PolarHBondContact O-N 3.16Å; R56-D145 IonicContact CZ-OD2 2.83Å; R56-D145 IonicContact NH1-OD2 3.84Å; R56-D145 PolarHBondContact NH1-OD2 3.35Å; R56-D145 PolarHBondContact NH2-O 2.96Å; R56-D145 IonicContact NH2-OD2 2.67Å; R56-D145 PolarHBondContact NH2-OD2 3.06Å; R56-N290 CarbonylContact C-O 3.54Å; R56-N290 WeakPolarHBondContact CA-O 3.5Å; R56-N290 HydrophobicContact CB-CB 4.46Å; R56-N290 HydrophobicContact CG-CB 3.92Å; R56-P292 HydrophobicContact CB-CB 4.4Å
57Y94.3Very high96.2Very high7 Ų728.6 Ų28.63%0.02714%0.137CC..  trans-150.2141.2-171.1-149.1-86.7000110.2A59 P62 D68 W85 N290 R384Y57-A59 PolarHBondContact O-N 2.65Å; Y57-P62 HydrophobicContact CE1-CB 3.57Å; Y57-P62 HydrophobicContact CE1-CG 4.29Å; Y57-P62 WeakPolarHBondContact CE1-O 3.48Å; Y57-P62 PolarHBondContact OH-O 2.93Å; Y57-D68 WeakPolarHBondContact CD2-O 3.4Å; Y57-D68 WeakPolarHBondContact CE2-O 3.23Å; Y57-W85 AromaticContact CD1-CH2 3.41Å; Y57-W85 HydrophobicContact CD1-CH2 3.41Å; Y57-W85 VanDerWaalsContact CD1-CH2 3.41Å; Y57-W85 AromaticContact CD1-CZ2 3.81Å; Y57-W85 HydrophobicContact CD1-CZ2 3.81Å; Y57-W85 AromaticContact CE1-CH2 3.23Å; Y57-W85 HydrophobicContact CE1-CH2 3.23Å; Y57-W85 AromaticContact CE1-CZ2 3.3Å; Y57-W85 HydrophobicContact CE1-CZ2 3.3Å; Y57-W85 HydrophobicContact CG-CH2 4.42Å; Y57-W85 AromaticContact CZ-CZ2 3.83Å; Y57-N290 PolarHBondContact N-O 2.97Å; Y57-R384 PolarHBondContact OH-NH2 2.72Å
58N94.7Very high96.2Very high50 Ų5028.7 Ų28.727%0.26714%0.138SC..  trans-78101.5170.7-175.2-18.9000108.7E60 N61 D64 S67 P292N58-E60 PolarHBondContact O-N 2.74Å; N58-E60 PolarHBondContact OD1-N 2.78Å; N58-E60 VanDerWaalsContact OD1-N 3.14Å; N58-N61 CarbonylContact O-C 3.06Å; N58-N61 PolarHBondContact O-N 2.69Å; N58-N61 PolarHBondContact OD1-N 3.32Å; N58-D64 HydrophobicContact CB-CB 3.7Å; N58-S67 PolarHBondContact N-OG 3.18Å; N58-P292 HydrophobicContact CB-CG 4.37Å
59A90.6Very high96.2Very high29 Ų2928.7 Ų28.724%0.2414%0.138CC..SBendtrans-63.5-26.5-175.400000113.5Y57 W85 I289Y57-A59 PolarHBondContact O-N 2.65Å; A59-W85 HydrophobicContact CB-CZ3 4.41Å; A59-I289 HydrophobicContact CB-CD1 4.44Å
60E92.1Very high96.2Very high178 Ų17829.3 Ų29.383%0.83214%0.141SC*.SBendtrans-85.4-24.9178.7-62179.8173.300112.4N58N58-E60 PolarHBondContact O-N 2.74Å; N58-E60 PolarHBondContact OD1-N 2.78Å; N58-E60 VanDerWaalsContact OD1-N 3.14Å
61N94.2Very high96.2Very high77 Ų7729.5 Ų29.541%0.41214%0.142SC..  trans-133.287.5178.1179.417.4000111.5N58 R63 D64N58-N61 CarbonylContact O-C 3.06Å; N58-N61 PolarHBondContact O-N 2.69Å; N58-N61 PolarHBondContact OD1-N 3.32Å; N61-R63 PolarHBondContact O-N 2.82Å; N61-R63 VanDerWaalsContact O-N 3.11Å; N61-R63 PolarHBondContact OD1-N 2.93Å; N61-D64 WeakPolarHBondContact O-CB 3.38Å; N61-D64 PolarHBondContact O-N 2.89Å
62P92.9Very high96.3Very high4 Ų429.6 Ų29.63%0.02614%0.142CC..THydrogen-bonded Turntrans-61.3-25.7-175.5-30.937.7000116.9Y57 D64 W85 L90 S115 I116 R384Y57-P62 HydrophobicContact CE1-CB 3.57Å; Y57-P62 HydrophobicContact CE1-CG 4.29Å; Y57-P62 WeakPolarHBondContact CE1-O 3.48Å; Y57-P62 PolarHBondContact OH-O 2.93Å; P62-D64 PolarHBondContact O-N 3.41Å; P62-W85 HydrophobicContact CB-CH2 4.21Å; P62-W85 HydrophobicContact CB-CZ2 4.3Å; P62-W85 HydrophobicContact CG-CH2 3.87Å; P62-W85 HydrophobicContact CG-CZ2 4.3Å; P62-W85 HydrophobicContact CG-CZ3 4.21Å; P62-L90 HydrophobicContact CG-CD2 3.39Å; P62-S115 WeakPolarHBondContact CB-O 3.5Å; P62-I116 HydrophobicContact CB-CG2 4.26Å; P62-I116 HydrophobicContact CG-CG2 3.92Å; P62-R384 PolarHBondContact O-NH1 2.78Å; P62-R384 PolarHBondContact O-NH2 3.15Å
63R95.1Very high96.3Very high82 Ų8229.5 Ų29.531%0.30914%0.142SC..THydrogen-bonded Turntrans-856.8178.2-62.8-67.5-179.682.64113N61 L65 P112 V114 S115 A117 D118N61-R63 PolarHBondContact O-N 2.82Å; N61-R63 VanDerWaalsContact O-N 3.11Å; N61-R63 PolarHBondContact OD1-N 2.93Å; R63-L65 PolarHBondContact O-N 2.86Å; R63-P112 PolarHBondContact NH2-O 3.43Å; R63-V114 PolarHBondContact NH2-O 3.08Å; R63-S115 WeakPolarHBondContact CD-O 3.32Å; R63-S115 PolarHBondContact NE-O 2.7Å; R63-A117 PolarHBondContact NH2-O 2.98Å; R63-D118 IonicContact NE-OD1 3.13Å
64D96.2Very high96.4Very high21 Ų2127.9 Ų27.911%0.11213%0.134CC..  trans-50.7132.3176.7173.984.4000112.1N58 N61 P62 Y66 S67 R384N58-D64 HydrophobicContact CB-CB 3.7Å; N61-D64 WeakPolarHBondContact O-CB 3.38Å; N61-D64 PolarHBondContact O-N 2.89Å; P62-D64 PolarHBondContact O-N 3.41Å; D64-Y66 PolarHBondContact O-N 3.39Å; D64-Y66 VanDerWaalsContact O-N 3.16Å; D64-Y66 WeakPolarHBondContact OD2-CA 3.26Å; D64-Y66 WeakPolarHBondContact OD2-CB 3.43Å; D64-Y66 PolarHBondContact OD2-N 3.2Å; D64-S67 PolarHBondContact O-N 3.14Å; D64-S67 PolarHBondContact OD2-N 2.82Å; D64-S67 PolarHBondContact OD2-OG 3.47Å; D64-R384 PolarHBondContact O-NH1 3.2Å
65L97.1Very high96.5Very high30 Ų3027.8 Ų27.816%0.15713%0.134CC..THydrogen-bonded Turntrans-68.7-17.5-170.4-60.6176.4000113.9R63 R69 L298 R384R63-L65 PolarHBondContact O-N 2.86Å; L65-R69 VanDerWaalsContact O-CZ 3.32Å; L65-R69 PolarHBondContact O-NH1 2.92Å; L65-R69 PolarHBondContact O-NH2 3.42Å; L65-L298 HydrophobicContact CB-CB 4.08Å; L65-L298 HydrophobicContact CB-CD1 4.1Å; L65-L298 HydrophobicContact CD1-CB 4.1Å; L65-L298 WeakPolarHBondContact O-CD1 3.33Å; L65-R384 HydrophobicContact CD2-CB 3.85Å
66Y97.6Very high96.5Very high17 Ų1728.8 Ų28.87%0.06714%0.138CC..THydrogen-bonded Turntrans-101.6-14.4-177.1-58.2-87.1000113.7D64 Y146 P292 N294 D295 G296 T297 L298D64-Y66 PolarHBondContact O-N 3.39Å; D64-Y66 VanDerWaalsContact O-N 3.16Å; D64-Y66 WeakPolarHBondContact OD2-CA 3.26Å; D64-Y66 WeakPolarHBondContact OD2-CB 3.43Å; D64-Y66 PolarHBondContact OD2-N 3.2Å; Y66-Y146 WeakPolarHBondContact O-CB 3.5Å; Y66-P292 WeakPolarHBondContact O-CB 3.48Å; Y66-N294 HydrophobicContact CD1-CB 4.39Å; Y66-N294 HydrophobicContact CD2-CB 3.87Å; Y66-N294 HydrophobicContact CE2-CB 4.25Å; Y66-N294 WeakPolarHBondContact CE2-OD1 3.42Å; Y66-N294 HydrophobicContact CG-CB 3.95Å; Y66-D295 VanDerWaalsContact CE1-OD1 3.27Å; Y66-D295 WeakPolarHBondContact CE1-OD1 3.16Å; Y66-G296 WeakPolarHBondContact OH-CA 3.47Å; Y66-G296 PolarHBondContact OH-N 3.3Å; Y66-G296 VanDerWaalsContact OH-N 3.15Å; Y66-T297 PolarHBondContact OH-N 3.18Å; Y66-L298 HydrophobicContact CD1-CD1 3.87Å; Y66-L298 HydrophobicContact CD1-CG 4.26Å; Y66-L298 HydrophobicContact CE1-CB 4.08Å; Y66-L298 HydrophobicContact CE1-CD1 3.73Å; Y66-L298 HydrophobicContact CE1-CG 3.6Å; Y66-L298 HydrophobicContact CE2-CB 4.32Å; Y66-L298 HydrophobicContact CG-CD1 4.43Å; Y66-L298 PolarHBondContact OH-N 3.45Å
67S97.6Very high96.6Very high0 Ų025.8 Ų25.80%013%0.127CC..SBendtrans-55.5141.9174.3-68.50000112.2R56 N58 D64 R69R56-S67 CarbonylContact O-C 3.53Å; N58-S67 PolarHBondContact N-OG 3.18Å; D64-S67 PolarHBondContact O-N 3.14Å; D64-S67 PolarHBondContact OD2-N 2.82Å; D64-S67 PolarHBondContact OD2-OG 3.47Å; S67-R69 WeakPolarHBondContact O-CD 3.32Å; S67-R69 PolarHBondContact O-NH1 2.82Å
68D98.3Very high96.8Very high2 Ų225.5 Ų25.51%0.01113%0.126CC..PPolyproline II helixtrans-53.7152162.9-67.2-24.7000109.7M55 R56 Y57 Y146 R147 F149M55-D68 WeakPolarHBondContact CA-OD2 3.37Å; M55-D68 HydrophobicContact CB-CB 4.41Å; R56-D68 PolarHBondContact N-OD2 2.93Å; R56-D68 WeakPolarHBondContact O-CB 3.47Å; R56-D68 PolarHBondContact O-N 3.16Å; Y57-D68 WeakPolarHBondContact CD2-O 3.4Å; Y57-D68 WeakPolarHBondContact CE2-O 3.23Å; D68-Y146 WeakPolarHBondContact OD1-CA 3.33Å; D68-R147 CarbonylContact C-O 3.57Å; D68-R147 VanDerWaalsContact CA-O 3.26Å; D68-R147 WeakPolarHBondContact CA-O 3.21Å; D68-R147 WeakPolarHBondContact CB-O 3.34Å; D68-R147 PolarHBondContact OD1-N 3.03Å; D68-F149 HydrophobicContact CB-CD2 4.42Å; D68-F149 HydrophobicContact CB-CE2 4.18Å
69R98.4Very high97Very high1 Ų123.2 Ų23.20%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-100138.4177.7-84.254.2168.6-168-4.7109.6L65 S67 M134 Y146 R147 V148 F149L65-R69 VanDerWaalsContact O-CZ 3.32Å; L65-R69 PolarHBondContact O-NH1 2.92Å; L65-R69 PolarHBondContact O-NH2 3.42Å; S67-R69 WeakPolarHBondContact O-CD 3.32Å; S67-R69 PolarHBondContact O-NH1 2.82Å; R69-M134 HydrophobicContact CB-SD 3.9Å; R69-M134 HydrophobicContact CG-CB 4.46Å; R69-M134 HydrophobicContact CG-CG 4.43Å; R69-M134 HydrophobicContact CG-SD 3.92Å; R69-Y146 VanDerWaalsContact NH1-CD1 3.3Å; R69-R147 PolarHBondContact N-O 3.13Å; R69-V148 HydrophobicContact CB-CB 4.38Å; R69-V148 HydrophobicContact CB-CG1 3.95Å; R69-V148 HydrophobicContact CB-CG2 4.12Å; R69-V148 CarbonylContact O-C 3.58Å; R69-V148 WeakPolarHBondContact O-CA 3.4Å; R69-F149 PolarHBondContact O-N 3.01Å
70F98.6Very high97.3Very high13 Ų1321.8 Ų21.86%0.05710%0.102CC..EExtended strand (participates in β ladder)trans-122.9124.4175.4179.5-99.8000109.6M47 L50 F51 M55 L72 L81 F149 V151M47-F70 HydrophobicContact CE-CE1 3.88Å; M47-F70 HydrophobicContact CE-CZ 3.71Å; M47-F70 HydrophobicContact SD-CE1 4.2Å; M47-F70 HydrophobicContact SD-CE2 4.06Å; M47-F70 HydrophobicContact SD-CZ 3.42Å; M47-F70 WeakPolarHBondContact SD-CZ 3.36Å; L50-F70 HydrophobicContact CD1-CD2 4.28Å; L50-F70 HydrophobicContact CD1-CE2 3.76Å; F51-F70 HydrophobicContact CE2-CD1 4.12Å; F51-F70 HydrophobicContact CE2-CD2 4.27Å; F51-F70 HydrophobicContact CE2-CE1 4.18Å; F51-F70 HydrophobicContact CE2-CE2 4.33Å; F51-F70 HydrophobicContact CE2-CG 4.17Å; F51-F70 HydrophobicContact CE2-CZ 4.31Å; F51-F70 HydrophobicContact CZ-CD1 4.05Å; F51-F70 HydrophobicContact CZ-CE1 4.42Å; F51-F70 HydrophobicContact CZ-CG 4.26Å; M55-F70 HydrophobicContact CE-CB 4.26Å; M55-F70 HydrophobicContact CE-CD2 4.23Å; M55-F70 HydrophobicContact CE-CG 4.38Å; M55-F70 HydrophobicContact SD-CB 3.94Å; M55-F70 HydrophobicContact SD-CD2 4.01Å; M55-F70 HydrophobicContact SD-CG 4.35Å; F70-L72 HydrophobicContact CE1-CB 3.87Å; F70-L72 HydrophobicContact CZ-CB 4.35Å; F70-L72 HydrophobicContact CZ-CD1 4.35Å; F70-L81 HydrophobicContact CD1-CD1 3.92Å; F70-L81 HydrophobicContact CE1-CD1 3.83Å; F70-F149 CarbonylContact C-O 3.37Å; F70-F149 WeakPolarHBondContact CA-O 3.43Å; F70-F149 HydrophobicContact CD2-CB 4.24Å; F70-V151 HydrophobicContact CE2-CG2 3.63Å; F70-V151 HydrophobicContact CZ-CB 4.49Å; F70-V151 HydrophobicContact CZ-CG2 3.86Å
71V98.8Very high97.6Very high4 Ų413.5 Ų13.52%0.0246%0.064CC..EExtended strand (participates in β ladder)trans-119.9113.5177-176.50000109.2S73 V119 T121 A131 M134 F149 C150 V151V71-S73 PolarHBondContact O-N 3.5Å; V71-V119 HydrophobicContact CG1-CG2 4.1Å; V71-T121 HydrophobicContact CG1-CG2 4Å; V71-A131 HydrophobicContact CB-CB 4.36Å; V71-A131 HydrophobicContact CG2-CB 4.05Å; V71-M134 HydrophobicContact CG2-CE 3.94Å; V71-M134 HydrophobicContact CG2-SD 3.69Å; V71-F149 PolarHBondContact N-O 2.66Å; V71-C150 HydrophobicContact CB-CB 4.49Å; V71-C150 CarbonylContact O-C 3.5Å; V71-C150 VanDerWaalsContact O-CA 3.29Å; V71-C150 WeakPolarHBondContact O-CA 3.42Å; V71-V151 PolarHBondContact O-N 2.89Å
72L98.8Very high97.8Very high5 Ų59.9 Ų9.93%0.0264%0.044CC..EExtended strand (participates in β ladder)trans-8483.5171.5-17563.3000109.1F70 K74 G75 A77 L81 P110 T121 V151F70-L72 HydrophobicContact CE1-CB 3.87Å; F70-L72 HydrophobicContact CZ-CB 4.35Å; F70-L72 HydrophobicContact CZ-CD1 4.35Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 HydrophobicContact CD1-CG 3.83Å; L72-K74 PolarHBondContact O-N 2.9Å; L72-G75 WeakPolarHBondContact O-CA 3.49Å; L72-G75 PolarHBondContact O-N 3.42Å; L72-A77 HydrophobicContact CD1-CB 4.38Å; L72-A77 HydrophobicContact CD2-CB 4.18Å; L72-L81 HydrophobicContact CD2-CB 3.99Å; L72-L81 HydrophobicContact CD2-CD2 4.41Å; L72-P110 HydrophobicContact CD2-CG 4.29Å; L72-T121 WeakPolarHBondContact O-CB 3.25Å; L72-T121 PolarHBondContact O-OG1 2.9Å; L72-V151 HydrophobicContact CD1-CB 4.16Å; L72-V151 HydrophobicContact CD1-CG1 4.34Å
73S98.9Very high98.1Very high0 Ų09.7 Ų9.70%04%0.043CC..SBendtrans-60.2-39.8-178.3-159.10000111.8V71 G75 G127 V151 E156V71-S73 PolarHBondContact O-N 3.5Å; S73-G75 PolarHBondContact O-N 3.42Å; S73-G127 VanDerWaalsContact OG-CA 3.24Å; S73-G127 WeakPolarHBondContact OG-CA 3.26Å; S73-G127 PolarHBondContact OG-N 3.31Å; S73-G127 VanDerWaalsContact OG-N 3.1Å; S73-V151 WeakPolarHBondContact CA-O 3.31Å; S73-V151 WeakPolarHBondContact CB-O 3.44Å; S73-V151 PolarHBondContact N-O 3.21Å; S73-E156 VanDerWaalsContact CB-OE1 3.25Å; S73-E156 WeakPolarHBondContact CB-OE1 3.4Å; S73-E156 PolarHBondContact OG-OE1 3.47Å
74K98.7Very high98.2Very high1 Ų15.8 Ų5.80%0.0043%0.028CC..SBendtrans-73.561.9167.259.2172.4-55.7-167.70112.1S39 L72 H76 A77 V151 E156 D182S39-K74 PolarHBondContact O-NZ 3.32Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 HydrophobicContact CD1-CG 3.83Å; L72-K74 PolarHBondContact O-N 2.9Å; K74-H76 PolarHBondContact O-N 2.71Å; K74-A77 HydrophobicContact CD-CB 4.48Å; K74-A77 HydrophobicContact CG-CB 4.44Å; K74-A77 WeakPolarHBondContact O-CB 3.3Å; K74-A77 PolarHBondContact O-N 3.49Å; K74-V151 HydrophobicContact CD-CG1 4Å; K74-V151 HydrophobicContact CG-CG1 4.19Å; K74-V151 PolarHBondContact N-O 3.45Å; K74-E156 PolarHBondContact N-OE2 3Å; K74-D182 HydrophobicContact CD-CB 4.38Å; K74-D182 IonicContact NZ-OD2 3.27Å; K74-D182 PolarHBondContact NZ-OD2 2.76Å
75G98.2Very high98.3Very high0 Ų04.9 Ų4.90%02%0.023CC..G310 helixtrans-55.6-21.8-16800000115.1L72 S73 A77 A78 P110 T121L72-G75 WeakPolarHBondContact O-CA 3.49Å; L72-G75 PolarHBondContact O-N 3.42Å; S73-G75 PolarHBondContact O-N 3.42Å; G75-A77 PolarHBondContact O-N 3.1Å; G75-A77 VanDerWaalsContact O-N 3.16Å; G75-A78 WeakPolarHBondContact O-CB 3.44Å; G75-A78 PolarHBondContact O-N 2.96Å; G75-P110 WeakPolarHBondContact O-CD 3.47Å; G75-T121 WeakPolarHBondContact CA-O 3.49Å; G75-T121 VanDerWaalsContact CA-OG1 3.31Å; G75-T121 WeakPolarHBondContact CA-OG1 3.39Å; G75-T121 PolarHBondContact N-O 3.27Å
76H98.4Very high98.2Very high21 Ų214.2 Ų4.210%0.0972%0.02CC..G310 helixtrans-63.6-19.1176.161.7-95.7000113.4H36 K74 A78 H109 H260H36-H76 WeakPolarHBondContact CB-O 3.47Å; H36-H76 PolarHBondContact ND1-O 2.99Å; K74-H76 PolarHBondContact O-N 2.71Å; H76-A78 PolarHBondContact O-N 2.95Å; H76-H109 VanDerWaalsContact CA-CD2 3.46Å; H76-H109 WeakPolarHBondContact CA-CD2 3.39Å; H76-H109 PolarHBondContact N-CD2 2.99Å; H76-H260 AromaticContact CD2-CE1 3.74Å; H76-H260 AromaticContact NE2-CE1 3.73Å
77A98.6Very high98.1Very high0 Ų04.8 Ų4.80%02%0.024CC..G310 helixtrans-79.516.3170.900000113.7L72 K74 G75 P79 V80L72-A77 HydrophobicContact CD1-CB 4.38Å; L72-A77 HydrophobicContact CD2-CB 4.18Å; K74-A77 HydrophobicContact CD-CB 4.48Å; K74-A77 HydrophobicContact CG-CB 4.44Å; K74-A77 WeakPolarHBondContact O-CB 3.3Å; K74-A77 PolarHBondContact O-N 3.49Å; G75-A77 PolarHBondContact O-N 3.1Å; G75-A77 VanDerWaalsContact O-N 3.16Å; A77-P79 VanDerWaalsContact C-N 3.26Å; A77-P79 WeakPolarHBondContact O-CD 3.32Å; A77-V80 HydrophobicContact CB-CG1 4.36Å; A77-V80 WeakPolarHBondContact O-CG1 3.36Å; A77-V80 PolarHBondContact O-N 3.34Å
78A98.6Very high98Very high0 Ų05.9 Ų5.90%03%0.033CC..Hα-helixtrans-41.5-42.3178.800000115.3G75 H76 V80 L81 Y82 P110G75-A78 WeakPolarHBondContact O-CB 3.44Å; G75-A78 PolarHBondContact O-N 2.96Å; H76-A78 PolarHBondContact O-N 2.95Å; A78-V80 VanDerWaalsContact C-N 3.26Å; A78-V80 PolarHBondContact O-N 3.25Å; A78-V80 VanDerWaalsContact O-N 3.17Å; A78-L81 WeakPolarHBondContact O-CA 3.49Å; A78-L81 WeakPolarHBondContact O-CB 3.25Å; A78-L81 PolarHBondContact O-N 3.16Å; A78-Y82 HydrophobicContact CB-CD2 4.5Å; A78-Y82 HydrophobicContact CB-CE1 4.25Å; A78-Y82 HydrophobicContact CB-CE2 3.71Å; A78-Y82 WeakPolarHBondContact CB-OH 3.48Å; A78-Y82 WeakPolarHBondContact O-CD2 3.41Å; A78-Y82 VanDerWaalsContact O-CG 3.3Å; A78-Y82 PolarHBondContact O-N 3.36Å; A78-P110 HydrophobicContact CB-CG 3.99Å
79P98.7Very high97.8Very high2 Ų28.5 Ų8.51%0.0136%0.061CC..Hα-helixtrans-57.1-32.5-179.9-2736000114.8T29 A77 Y82 A83 L99T29-P79 HydrophobicContact CG2-CB 4.28Å; T29-P79 HydrophobicContact CG2-CG 3.77Å; A77-P79 VanDerWaalsContact C-N 3.26Å; A77-P79 WeakPolarHBondContact O-CD 3.32Å; P79-Y82 PolarHBondContact O-N 3.45Å; P79-A83 VanDerWaalsContact O-CB 3.3Å; P79-A83 WeakPolarHBondContact O-CB 3.46Å; P79-A83 PolarHBondContact O-N 3.37Å; P79-L99 HydrophobicContact CB-CD2 4.47Å; P79-L99 HydrophobicContact CG-CD1 4.47Å; P79-L99 HydrophobicContact CG-CD2 3.89Å
80V98.7Very high97.6Very high0 Ų011.2 Ų11.20%08%0.075CC..Hα-helixtrans-73.7-31.5177.382.80000112.1L21 C40 M47 A77 A78 A84L21-V80 HydrophobicContact CB-CG2 4.03Å; L21-V80 HydrophobicContact CD1-CG2 4.41Å; C40-V80 HydrophobicContact CB-CB 3.85Å; C40-V80 HydrophobicContact CB-CG2 4.47Å; M47-V80 HydrophobicContact CB-CG2 4.31Å; M47-V80 HydrophobicContact CE-CG1 4.29Å; M47-V80 HydrophobicContact CG-CG1 3.75Å; M47-V80 HydrophobicContact CG-CG2 3.96Å; M47-V80 HydrophobicContact SD-CG1 4.3Å; A77-V80 HydrophobicContact CB-CG1 4.36Å; A77-V80 WeakPolarHBondContact O-CG1 3.36Å; A77-V80 PolarHBondContact O-N 3.34Å; A78-V80 VanDerWaalsContact C-N 3.26Å; A78-V80 PolarHBondContact O-N 3.25Å; A78-V80 VanDerWaalsContact O-N 3.17Å; V80-A84 PolarHBondContact O-N 2.84Å
81L98.4Very high97.4Very high4 Ų411.7 Ų11.72%0.0218%0.078CC..Hα-helixtrans-66.5-46.1172.1171.960.8000110.2M47 F51 F70 L72 A78 A83 A84 W85 P110 I116M47-L81 HydrophobicContact CE-CB 4.33Å; M47-L81 HydrophobicContact CE-CD1 4.26Å; F51-L81 HydrophobicContact CE2-CD1 4.39Å; F51-L81 HydrophobicContact CZ-CD1 3.7Å; F70-L81 HydrophobicContact CD1-CD1 3.92Å; F70-L81 HydrophobicContact CE1-CD1 3.83Å; L72-L81 HydrophobicContact CD2-CB 3.99Å; L72-L81 HydrophobicContact CD2-CD2 4.41Å; A78-L81 WeakPolarHBondContact O-CA 3.49Å; A78-L81 WeakPolarHBondContact O-CB 3.25Å; A78-L81 PolarHBondContact O-N 3.16Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 2.92Å; L81-A84 PolarHBondContact O-N 3.03Å; L81-W85 VanDerWaalsContact O-CD1 3.29Å; L81-W85 PolarHBondContact O-N 2.91Å; L81-W85 VanDerWaalsContact O-N 3.16Å; L81-P110 HydrophobicContact CD2-CB 4.29Å; L81-P110 HydrophobicContact CD2-CG 3.99Å; L81-I116 HydrophobicContact CD2-CD1 4.46Å; L81-I116 HydrophobicContact CG-CD1 4.2Å
82Y98.4Very high97.3Very high1 Ų115 Ų150%0.00410%0.099CC..Hα-helixtrans-62.6-41.5176.9-51.5-26.9000111.2A78 P79 A84 W85 V86 L99 L106 E107 I116A78-Y82 HydrophobicContact CB-CD2 4.5Å; A78-Y82 HydrophobicContact CB-CE1 4.25Å; A78-Y82 HydrophobicContact CB-CE2 3.71Å; A78-Y82 WeakPolarHBondContact CB-OH 3.48Å; A78-Y82 WeakPolarHBondContact O-CD2 3.41Å; A78-Y82 VanDerWaalsContact O-CG 3.3Å; A78-Y82 PolarHBondContact O-N 3.36Å; P79-Y82 PolarHBondContact O-N 3.45Å; Y82-A84 PolarHBondContact O-N 3.45Å; Y82-W85 PolarHBondContact O-N 3.41Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.18Å; Y82-L99 HydrophobicContact CD2-CD1 3.89Å; Y82-L99 HydrophobicContact CE2-CD1 3.6Å; Y82-L106 HydrophobicContact CD1-CD2 4.17Å; Y82-L106 HydrophobicContact CD2-CB 4.14Å; Y82-L106 HydrophobicContact CD2-CD1 4.46Å; Y82-L106 HydrophobicContact CD2-CD2 4.34Å; Y82-L106 HydrophobicContact CE1-CD2 4.48Å; Y82-L106 HydrophobicContact CE2-CB 4.07Å; Y82-L106 HydrophobicContact CG-CD2 4.11Å; Y82-E107 VanDerWaalsContact CE2-O 3.31Å; Y82-E107 WeakPolarHBondContact CE2-O 3.43Å; Y82-E107 PolarHBondContact OH-O 2.84Å; Y82-I116 HydrophobicContact CD1-CD1 3.8Å; Y82-I116 HydrophobicContact CE1-CD1 4.17Å
83A98.2Very high97.2Very high0 Ų019.2 Ų19.20%012%0.119CC..Hα-helixtrans-61.1-40.5175.300000112.6L21 H24 P79 L81 W85 V86 E87L21-A83 HydrophobicContact CD2-CB 3.64Å; H24-A83 HydrophobicContact CB-CB 3.55Å; P79-A83 VanDerWaalsContact O-CB 3.3Å; P79-A83 WeakPolarHBondContact O-CB 3.46Å; P79-A83 PolarHBondContact O-N 3.37Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 2.92Å; A83-W85 VanDerWaalsContact C-N 3.26Å; A83-W85 PolarHBondContact O-N 2.85Å; A83-V86 WeakPolarHBondContact O-CB 3.43Å; A83-V86 PolarHBondContact O-N 2.83Å; A83-E87 PolarHBondContact O-N 2.74Å
84A97.8Very high97.1Very high0 Ų026.4 Ų26.40%015%0.15CC..Hα-helixtrans-62.4-3717600000111.5L21 M47 F51 V80 L81 Y82 E87 A88L21-A84 HydrophobicContact CD2-CB 4.23Å; M47-A84 HydrophobicContact CE-CB 4.19Å; F51-A84 HydrophobicContact CD1-CB 4.06Å; F51-A84 HydrophobicContact CD2-CB 4.07Å; F51-A84 HydrophobicContact CE1-CB 4.24Å; F51-A84 HydrophobicContact CE2-CB 4.27Å; F51-A84 HydrophobicContact CG-CB 3.98Å; F51-A84 HydrophobicContact CZ-CB 4.35Å; V80-A84 PolarHBondContact O-N 2.84Å; L81-A84 PolarHBondContact O-N 3.03Å; Y82-A84 PolarHBondContact O-N 3.45Å; A84-E87 PolarHBondContact O-N 2.76Å; A84-A88 WeakPolarHBondContact O-CB 3.34Å; A84-A88 PolarHBondContact O-N 2.8Å
85W97.2Very high97Very high2 Ų229.6 Ų29.61%0.00817%0.165CC..Hα-helixtrans-74.6-23.1175.8-81.3110.5000114.7F51 Y57 A59 P62 L81 Y82 A83 A88 G89 L90 I91 I116 I289F51-W85 HydrophobicContact CE1-CD2 4.38Å; F51-W85 AromaticContact CE1-CE2 3.78Å; F51-W85 HydrophobicContact CE1-CZ2 4.12Å; F51-W85 AromaticContact CE1-NE1 3.59Å; F51-W85 AromaticContact CZ-NE1 3.96Å; Y57-W85 AromaticContact CD1-CH2 3.41Å; Y57-W85 HydrophobicContact CD1-CH2 3.41Å; Y57-W85 VanDerWaalsContact CD1-CH2 3.41Å; Y57-W85 AromaticContact CD1-CZ2 3.81Å; Y57-W85 HydrophobicContact CD1-CZ2 3.81Å; Y57-W85 AromaticContact CE1-CH2 3.23Å; Y57-W85 HydrophobicContact CE1-CH2 3.23Å; Y57-W85 AromaticContact CE1-CZ2 3.3Å; Y57-W85 HydrophobicContact CE1-CZ2 3.3Å; Y57-W85 HydrophobicContact CG-CH2 4.42Å; Y57-W85 AromaticContact CZ-CZ2 3.83Å; A59-W85 HydrophobicContact CB-CZ3 4.41Å; P62-W85 HydrophobicContact CB-CH2 4.21Å; P62-W85 HydrophobicContact CB-CZ2 4.3Å; P62-W85 HydrophobicContact CG-CH2 3.87Å; P62-W85 HydrophobicContact CG-CZ2 4.3Å; P62-W85 HydrophobicContact CG-CZ3 4.21Å; L81-W85 VanDerWaalsContact O-CD1 3.29Å; L81-W85 PolarHBondContact O-N 2.91Å; L81-W85 VanDerWaalsContact O-N 3.16Å; Y82-W85 PolarHBondContact O-N 3.41Å; A83-W85 VanDerWaalsContact C-N 3.26Å; A83-W85 PolarHBondContact O-N 2.85Å; W85-A88 HydrophobicContact CE3-CB 3.95Å; W85-A88 HydrophobicContact CZ3-CB 4.34Å; W85-G89 PolarHBondContact O-N 3.15Å; W85-L90 HydrophobicContact CD2-CD2 4.16Å; W85-L90 HydrophobicContact CE3-CB 3.64Å; W85-L90 HydrophobicContact CE3-CD2 3.52Å; W85-L90 HydrophobicContact CE3-CG 4.24Å; W85-L90 HydrophobicContact CH2-CD2 4.41Å; W85-L90 HydrophobicContact CZ3-CB 4.05Å; W85-L90 HydrophobicContact CZ3-CD2 3.66Å; W85-L90 HydrophobicContact CZ3-CG 4.5Å; W85-L90 PolarHBondContact O-N 3.32Å; W85-L90 VanDerWaalsContact O-N 3.09Å; W85-I91 HydrophobicContact CB-CD1 3.56Å; W85-I91 HydrophobicContact CB-CG1 3.96Å; W85-I91 HydrophobicContact CG-CD1 4.47Å; W85-I91 PolarHBondContact O-N 3.23Å; W85-I116 HydrophobicContact CB-CG2 4.5Å; W85-I116 VanDerWaalsContact CD1-CD1 3.47Å; W85-I116 HydrophobicContact CD2-CB 4.25Å; W85-I116 HydrophobicContact CD2-CG2 3.5Å; W85-I116 VanDerWaalsContact CD2-CG2 3.5Å; W85-I116 VanDerWaalsContact CE2-CG2 3.41Å; W85-I116 HydrophobicContact CE3-CG2 4.14Å; W85-I116 HydrophobicContact CG-CB 4.2Å; W85-I116 HydrophobicContact CG-CD1 4.07Å; W85-I116 HydrophobicContact CG-CG2 3.66Å; W85-I116 HydrophobicContact CZ2-CB 4.33Å; W85-I116 HydrophobicContact CZ2-CG2 3.97Å; W85-I289 HydrophobicContact CH2-CD1 4.39Å; W85-I289 HydrophobicContact CZ3-CD1 4.3Å
86V96.1Very high97Very high15 Ų1529.7 Ų29.79%0.09117%0.166CC..Hα-helixtrans-69.1-49.6166.9168.10000110.8Y82 A83 A88 G89 I91 E93 L96Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.18Å; A83-V86 WeakPolarHBondContact O-CB 3.43Å; A83-V86 PolarHBondContact O-N 2.83Å; V86-A88 PolarHBondContact O-N 2.72Å; V86-G89 WeakPolarHBondContact O-CA 3.4Å; V86-G89 PolarHBondContact O-N 2.97Å; V86-I91 WeakPolarHBondContact CA-O 3.46Å; V86-I91 HydrophobicContact CG2-CB 3.8Å; V86-I91 HydrophobicContact CG2-CG2 3.76Å; V86-I91 WeakPolarHBondContact CG2-O 3.45Å; V86-E93 HydrophobicContact CG1-CB 3.74Å; V86-E93 HydrophobicContact CG1-CG 4.07Å; V86-L96 HydrophobicContact CB-CD1 4.39Å; V86-L96 HydrophobicContact CG1-CD1 4.41Å; V86-L96 HydrophobicContact CG2-CD1 3.8Å; V86-L96 HydrophobicContact CG2-CD2 3.91Å; V86-L96 HydrophobicContact CG2-CG 3.72Å
87E96Very high97Very high29 Ų2932.2 Ų32.214%0.13618%0.179CC..Hα-helixtrans-65.7-28.3177.6-67.5-66.8145.100111.7L17 L21 H24 F52 A83 A84 G89 H285L17-E87 HydrophobicContact CD2-CB 3.88Å; L17-E87 HydrophobicContact CD2-CG 3.79Å; L17-E87 WeakPolarHBondContact CD2-OE2 3.42Å; L21-E87 HydrophobicContact CD2-CG 4.1Å; H24-E87 IonicContact CD2-OE1 3.44Å; H24-E87 IonicContact NE2-OE1 3.89Å; H24-E87 PolarHBondContact NE2-OE1 3.41Å; F52-E87 HydrophobicContact CE1-CB 4.23Å; F52-E87 HydrophobicContact CE2-CB 4.13Å; F52-E87 HydrophobicContact CZ-CB 3.48Å; F52-E87 VanDerWaalsContact CZ-CB 3.48Å; A83-E87 PolarHBondContact O-N 2.74Å; A84-E87 PolarHBondContact O-N 2.76Å; E87-G89 PolarHBondContact O-N 3.05Å; E87-H285 PolarHBondContact O-NE2 3.25Å; E87-H285 IonicContact OE2-CD2 3.53Å; E87-H285 PolarHBondContact OE2-CD2 2.79Å; E87-H285 IonicContact OE2-NE2 3.91Å; E87-H285 PolarHBondContact OE2-NE2 3.25Å; E87-H285 VanDerWaalsContact OE2-NE2 3.16Å
88A94.7Very high96.9Very high23 Ų2333.7 Ų33.719%0.1919%0.188CC..THydrogen-bonded Turntrans-72.7-13.1171.100000113.9F52 A84 W85 V86 I289F52-A88 HydrophobicContact CE1-CB 4.44Å; F52-A88 HydrophobicContact CZ-CB 4.39Å; A84-A88 WeakPolarHBondContact O-CB 3.34Å; A84-A88 PolarHBondContact O-N 2.8Å; W85-A88 HydrophobicContact CE3-CB 3.95Å; W85-A88 HydrophobicContact CZ3-CB 4.34Å; V86-A88 PolarHBondContact O-N 2.72Å; A88-I289 HydrophobicContact CB-CD1 3.6Å; A88-I289 HydrophobicContact CB-CG1 4.12Å
89G93.5Very high96.9Very high58 Ų5833.8 Ų33.860%0.59819%0.189SC*.THydrogen-bonded Turntrans88.92175.700000116.1W85 V86 E87W85-G89 PolarHBondContact O-N 3.15Å; V86-G89 WeakPolarHBondContact O-CA 3.4Å; V86-G89 PolarHBondContact O-N 2.97Å; E87-G89 PolarHBondContact O-N 3.05Å
90L94.3Very high96.9Very high58 Ų5837.6 Ų37.630%0.30420%0.203SC..SBendtrans-79.1-43.6179.2-179.566000112P62 W85 I116P62-L90 HydrophobicContact CG-CD2 3.39Å; W85-L90 HydrophobicContact CD2-CD2 4.16Å; W85-L90 HydrophobicContact CE3-CB 3.64Å; W85-L90 HydrophobicContact CE3-CD2 3.52Å; W85-L90 HydrophobicContact CE3-CG 4.24Å; W85-L90 HydrophobicContact CH2-CD2 4.41Å; W85-L90 HydrophobicContact CZ3-CB 4.05Å; W85-L90 HydrophobicContact CZ3-CD2 3.66Å; W85-L90 HydrophobicContact CZ3-CG 4.5Å; W85-L90 PolarHBondContact O-N 3.32Å; W85-L90 VanDerWaalsContact O-N 3.09Å; L90-I116 HydrophobicContact CD2-CG2 3.58Å
91I95.5Very high96.8Very high22 Ų2242.4 Ų42.411%0.11322%0.224CC..SBendtrans-97.7125.4-178.7-60.9176.5000108.4W85 V86 E93 E95 L106 I116W85-I91 HydrophobicContact CB-CD1 3.56Å; W85-I91 HydrophobicContact CB-CG1 3.96Å; W85-I91 HydrophobicContact CG-CD1 4.47Å; W85-I91 PolarHBondContact O-N 3.23Å; V86-I91 WeakPolarHBondContact CA-O 3.46Å; V86-I91 HydrophobicContact CG2-CB 3.8Å; V86-I91 HydrophobicContact CG2-CG2 3.76Å; V86-I91 WeakPolarHBondContact CG2-O 3.45Å; I91-E93 PolarHBondContact O-N 3.19Å; I91-E95 HydrophobicContact CG2-CB 3.96Å; I91-L106 HydrophobicContact CD1-CD2 4.1Å; I91-L106 HydrophobicContact CG2-CD1 4.42Å; I91-I116 HydrophobicContact CD1-CD1 4.14Å
92P95.9Very high96.7Very high73 Ų7350.8 Ų50.847%0.47427%0.267SS..  trans-62131.9171.9-20.932.2000110.9K94 E95P92-K94 HydrophobicContact CB-CG 4.22Å; P92-K94 PolarHBondContact O-N 3.32Å; P92-E95 HydrophobicContact CB-CG 4.19Å; P92-E95 HydrophobicContact CG-CG 4.29Å; P92-E95 VanDerWaalsContact O-CB 3.31Å; P92-E95 WeakPolarHBondContact O-CB 3.31Å; P92-E95 PolarHBondContact O-N 3.4Å
93E96.4Very high96.5Very high95 Ų9557.2 Ų57.244%0.44430%0.301SS..G310 helixtrans-52.6-36.4-175.5-175.8-177.7164.200113.7H24 R27 V86 I91 E95 L96H24-E93 IonicContact CE1-OE1 3.15Å; H24-E93 PolarHBondContact CE1-OE1 2.9Å; H24-E93 IonicContact ND1-OE1 2.69Å; R27-E93 IonicContact CZ-OE1 3.84Å; R27-E93 IonicContact NH1-OE1 2.7Å; R27-E93 PolarHBondContact NH1-OE1 3.3Å; V86-E93 HydrophobicContact CG1-CB 3.74Å; V86-E93 HydrophobicContact CG1-CG 4.07Å; I91-E93 PolarHBondContact O-N 3.19Å; E93-E95 PolarHBondContact O-N 2.95Å; E93-L96 HydrophobicContact CG-CD1 4.42Å; E93-L96 WeakPolarHBondContact O-CB 3.39Å; E93-L96 PolarHBondContact O-N 3.16Å; E93-L96 VanDerWaalsContact O-N 3.08Å
94K97.3Very high96.4Very high150 Ų15057.9 Ų57.965%0.65231%0.306SS*.G310 helixtrans-58.7-28.317866.7175.6-174.7173.40113.4P92 L96 L97P92-K94 HydrophobicContact CB-CG 4.22Å; P92-K94 PolarHBondContact O-N 3.32Å; K94-L96 PolarHBondContact O-N 3.35Å; K94-L97 WeakPolarHBondContact O-CB 3.25Å; K94-L97 PolarHBondContact O-N 3.08Å
95E96.8Very high96.3Very high69 Ų6962.6 Ų62.632%0.32233%0.331SS..G310 helixtrans-67.4-23.4179.4-64.9-59153.900111.6I91 P92 E93 L97 T98 L106I91-E95 HydrophobicContact CG2-CB 3.96Å; P92-E95 HydrophobicContact CB-CG 4.19Å; P92-E95 HydrophobicContact CG-CG 4.29Å; P92-E95 VanDerWaalsContact O-CB 3.31Å; P92-E95 WeakPolarHBondContact O-CB 3.31Å; P92-E95 PolarHBondContact O-N 3.4Å; E93-E95 PolarHBondContact O-N 2.95Å; E95-L97 PolarHBondContact O-N 2.85Å; E95-T98 WeakPolarHBondContact O-CA 3.26Å; E95-T98 PolarHBondContact O-N 2.53Å; E95-T98 PolarHBondContact O-OG1 3.29Å; E95-T98 PolarHBondContact OE2-OG1 2.78Å; E95-L106 HydrophobicContact CB-CD1 4.16Å; E95-L106 WeakPolarHBondContact O-CD1 3.48Å
96L97.3Very high96.3Very high2 Ų263 Ų631%0.0133%0.333CS..G310 helixtrans-57.8-26.9173.7-67.9174.2000112.8H24 A28 V86 E93 K94 T98 L99 L106H24-L96 HydrophobicContact CB-CD1 3.71Å; A28-L96 HydrophobicContact CB-CB 4.22Å; A28-L96 VanDerWaalsContact CB-O 3.28Å; A28-L96 WeakPolarHBondContact CB-O 3.41Å; V86-L96 HydrophobicContact CB-CD1 4.39Å; V86-L96 HydrophobicContact CG1-CD1 4.41Å; V86-L96 HydrophobicContact CG2-CD1 3.8Å; V86-L96 HydrophobicContact CG2-CD2 3.91Å; V86-L96 HydrophobicContact CG2-CG 3.72Å; E93-L96 HydrophobicContact CG-CD1 4.42Å; E93-L96 WeakPolarHBondContact O-CB 3.39Å; E93-L96 PolarHBondContact O-N 3.16Å; E93-L96 VanDerWaalsContact O-N 3.08Å; K94-L96 PolarHBondContact O-N 3.35Å; L96-T98 PolarHBondContact O-N 2.98Å; L96-L99 WeakPolarHBondContact O-CB 3.46Å; L96-L99 PolarHBondContact O-N 2.87Å; L96-L106 HydrophobicContact CD2-CD1 4.42Å
97L97.8Very high96.4Very high74 Ų7464.6 Ų64.639%0.38734%0.34SS..G310 helixtrans-79-4.1177-53.8-178.4000113R27 A31 K94 E95 K101R27-L97 HydrophobicContact CG-CD2 3.75Å; A31-L97 HydrophobicContact CB-CD2 4.04Å; K94-L97 WeakPolarHBondContact O-CB 3.25Å; K94-L97 PolarHBondContact O-N 3.08Å; E95-L97 PolarHBondContact O-N 2.85Å; L97-K101 VanDerWaalsContact O-CE 3.28Å; L97-K101 WeakPolarHBondContact O-CE 3.42Å; L97-K101 PolarHBondContact O-NZ 3.47Å
98T97.9Very high96.5Very high30 Ų3064 Ų6418%0.18434%0.341CS..G310 helixtrans-98.70.5173.573.90000112.6E95 L96 R100 K101 S104E95-T98 WeakPolarHBondContact O-CA 3.26Å; E95-T98 PolarHBondContact O-N 2.53Å; E95-T98 PolarHBondContact O-OG1 3.29Å; E95-T98 PolarHBondContact OE2-OG1 2.78Å; L96-T98 PolarHBondContact O-N 2.98Å; T98-R100 PolarHBondContact O-N 3.37Å; T98-K101 VanDerWaalsContact O-CB 3.28Å; T98-K101 WeakPolarHBondContact O-CB 3.29Å; T98-K101 WeakPolarHBondContact O-CG 3.35Å; T98-K101 PolarHBondContact O-N 3.44Å; T98-S104 WeakPolarHBondContact O-CB 3.39Å; T98-S104 PolarHBondContact O-OG 2.61Å; T98-S104 WeakPolarHBondContact OG1-CB 3.45Å; T98-S104 PolarHBondContact OG1-OG 3.26Å
99L98.4Very high96.6Very high2 Ų266 Ų661%0.0135%0.346CS..THydrogen-bonded Turntrans-42.5127.1174.817770.2000111.5A28 T29 S32 P79 Y82 L96 K101 L106A28-L99 HydrophobicContact CB-CB 4.24Å; A28-L99 HydrophobicContact CB-CD2 3.75Å; T29-L99 HydrophobicContact CG2-CD2 4.12Å; S32-L99 WeakPolarHBondContact CB-O 3.45Å; P79-L99 HydrophobicContact CB-CD2 4.47Å; P79-L99 HydrophobicContact CG-CD1 4.47Å; P79-L99 HydrophobicContact CG-CD2 3.89Å; Y82-L99 HydrophobicContact CD2-CD1 3.89Å; Y82-L99 HydrophobicContact CE2-CD1 3.6Å; L96-L99 WeakPolarHBondContact O-CB 3.46Å; L96-L99 PolarHBondContact O-N 2.87Å; L99-K101 PolarHBondContact O-N 3.47Å; L99-L106 WeakPolarHBondContact CA-O 3.27Å; L99-L106 HydrophobicContact CD1-CB 4.49Å
100R97.8Very high96.8Very high82 Ų8263.4 Ų63.431%0.30932%0.319SS..THydrogen-bonded Turntrans63.312.1177.3-64.2162.7169.7-109.5-14115.5S34 T98 L106 G108S34-R100 WeakPolarHBondContact OG-CD 3.38Å; S34-R100 PolarHBondContact OG-NH1 3.01Å; S34-R100 VanDerWaalsContact OG-NH1 3.17Å; T98-R100 PolarHBondContact O-N 3.37Å; R100-L106 PolarHBondContact N-O 3.13Å; R100-G108 PolarHBondContact NH2-O 2.97Å
101K97.5Very high96.9Very high101 Ų10161.2 Ų61.244%0.43931%0.308SS..  trans-77.9151.2168.3-61.9-175.5-175.7166.30110.1L97 T98 L99 D103 S104L97-K101 VanDerWaalsContact O-CE 3.28Å; L97-K101 WeakPolarHBondContact O-CE 3.42Å; L97-K101 PolarHBondContact O-NZ 3.47Å; T98-K101 VanDerWaalsContact O-CB 3.28Å; T98-K101 WeakPolarHBondContact O-CB 3.29Å; T98-K101 WeakPolarHBondContact O-CG 3.35Å; T98-K101 PolarHBondContact O-N 3.44Å; L99-K101 PolarHBondContact O-N 3.47Å; K101-D103 VanDerWaalsContact CB-OD1 3.31Å; K101-D103 WeakPolarHBondContact CB-OD1 3.45Å; K101-D103 PolarHBondContact O-N 3.03Å; K101-S104 PolarHBondContact O-N 2.62Å
102I96.7Very high96.9Very high180 Ų18060.8 Ų60.892%0.92331%0.306SS*.THydrogen-bonded Turntrans-62.5-25.9-175.3-167.6168.2000113.3
103D94.4Very high96.6Very high136 Ų13665.2 Ų65.273%0.72731%0.314SS*.THydrogen-bonded Turntrans-102.812.3-177.859.2-21.4000113.2K101K101-D103 VanDerWaalsContact CB-OD1 3.31Å; K101-D103 WeakPolarHBondContact CB-OD1 3.45Å; K101-D103 PolarHBondContact O-N 3.03Å
104S96Very high96.3Very high14 Ų1461.4 Ų61.410%0.09830%0.297CS..  trans-113.9136.3176.9-175.20000111.4T98 K101 L106T98-S104 WeakPolarHBondContact O-CB 3.39Å; T98-S104 PolarHBondContact O-OG 2.61Å; T98-S104 WeakPolarHBondContact OG1-CB 3.45Å; T98-S104 PolarHBondContact OG1-OG 3.26Å; K101-S104 PolarHBondContact O-N 2.62Å; S104-L106 PolarHBondContact O-N 2.87Å; S104-L106 WeakPolarHBondContact OG-CB 3.41Å; S104-L106 PolarHBondContact OG-N 3.22Å; S104-L106 VanDerWaalsContact OG-N 3.09Å
105D95.2Very high96Very high100 Ų10056.8 Ų56.854%0.53528%0.284SS..SBendtrans-75.2-10.4169.8-64.1-37.7000112.1E107 V114D105-E107 PolarHBondContact O-N 3.5Å; D105-V114 HydrophobicContact CB-CG1 3.52Å; D105-V114 WeakPolarHBondContact O-CG1 3.24Å
106L97.1Very high96Very high9 Ų953.9 Ų53.95%0.04727%0.27CS..  trans-77.178.3172-56.4-168000110.1Y82 I91 E95 L96 L99 R100 S104 V114Y82-L106 HydrophobicContact CD1-CD2 4.17Å; Y82-L106 HydrophobicContact CD2-CB 4.14Å; Y82-L106 HydrophobicContact CD2-CD1 4.46Å; Y82-L106 HydrophobicContact CD2-CD2 4.34Å; Y82-L106 HydrophobicContact CE1-CD2 4.48Å; Y82-L106 HydrophobicContact CE2-CB 4.07Å; Y82-L106 HydrophobicContact CG-CD2 4.11Å; I91-L106 HydrophobicContact CD1-CD2 4.1Å; I91-L106 HydrophobicContact CG2-CD1 4.42Å; E95-L106 HydrophobicContact CB-CD1 4.16Å; E95-L106 WeakPolarHBondContact O-CD1 3.48Å; L96-L106 HydrophobicContact CD2-CD1 4.42Å; L99-L106 WeakPolarHBondContact CA-O 3.27Å; L99-L106 HydrophobicContact CD1-CB 4.49Å; R100-L106 PolarHBondContact N-O 3.13Å; S104-L106 PolarHBondContact O-N 2.87Å; S104-L106 WeakPolarHBondContact OG-CB 3.41Å; S104-L106 PolarHBondContact OG-N 3.22Å; S104-L106 VanDerWaalsContact OG-N 3.09Å; L106-V114 HydrophobicContact CD2-CG1 4.34Å
107E97.1Very high96Very high50 Ų5054 Ų5423%0.23427%0.272CS..  trans-72.9169.6-177.2-70.1-167.1-127.200113.4Y82 D105 H109 T111 R113Y82-E107 VanDerWaalsContact CE2-O 3.31Å; Y82-E107 WeakPolarHBondContact CE2-O 3.43Å; Y82-E107 PolarHBondContact OH-O 2.84Å; D105-E107 PolarHBondContact O-N 3.5Å; E107-H109 WeakPolarHBondContact CB-O 3.36Å; E107-H109 PolarHBondContact O-N 3.35Å; E107-T111 PolarHBondContact OE1-OG1 2.7Å; E107-R113 VanDerWaalsContact OE1-CD 3.27Å; E107-R113 WeakPolarHBondContact OE1-CD 3.39Å; E107-R113 IonicContact OE1-CZ 3.18Å; E107-R113 IonicContact OE1-NE 3.03Å; E107-R113 IonicContact OE1-NH1 2.75Å; E107-R113 PolarHBondContact OE1-NH1 3.08Å
108G97.7Very high96Very high15 Ų1551.1 Ų51.116%0.15526%0.257CS..SBendtrans-66.2-19.3-179.700000115.5R100R100-G108 PolarHBondContact NH2-O 2.97Å
109H98.3Very high96Very high66 Ų6650 Ų5031%0.30625%0.25SC..SBendtrans-141.3152.8172.6-60.888.1000107.5H76 E107 T111H76-H109 VanDerWaalsContact CA-CD2 3.46Å; H76-H109 WeakPolarHBondContact CA-CD2 3.39Å; H76-H109 PolarHBondContact N-CD2 2.99Å; E107-H109 WeakPolarHBondContact CB-O 3.36Å; E107-H109 PolarHBondContact O-N 3.35Å; H109-T111 PolarHBondContact O-N 3.25Å
110P97.1Very high96Very high3 Ų350.2 Ų50.22%0.01925%0.252CS..  trans-62.6136.5179-20.232000111.1L72 G75 A78 L81 A117 A120L72-P110 HydrophobicContact CD2-CG 4.29Å; G75-P110 WeakPolarHBondContact O-CD 3.47Å; A78-P110 HydrophobicContact CB-CG 3.99Å; L81-P110 HydrophobicContact CD2-CB 4.29Å; L81-P110 HydrophobicContact CD2-CG 3.99Å; P110-A117 HydrophobicContact CB-CB 3.87Å; P110-A120 VanDerWaalsContact O-CA 3.28Å; P110-A120 WeakPolarHBondContact O-CA 3.28Å
111T96.2Very high96Very high12 Ų1246.5 Ų46.57%0.07424%0.238CC..  trans-134.5159170.769.20000109E107 H109 R113 V114 A120 I410E107-T111 PolarHBondContact OE1-OG1 2.7Å; H109-T111 PolarHBondContact O-N 3.25Å; T111-R113 PolarHBondContact O-N 3Å; T111-V114 VanDerWaalsContact O-CG2 3.31Å; T111-V114 WeakPolarHBondContact O-CG2 3.33Å; T111-V114 PolarHBondContact O-N 2.81Å; T111-A120 HydrophobicContact CG2-CB 4.42Å; T111-I410 HydrophobicContact CG2-CG2 4.37Å
112P95.2Very high96Very high13 Ų1343.1 Ų43.18%0.08423%0.232CC..THydrogen-bonded Turntrans-66.5-2.1178-28.341.4000116R63 V114 S411R63-P112 PolarHBondContact NH2-O 3.43Å; P112-V114 PolarHBondContact O-N 3.01Å; P112-S411 WeakPolarHBondContact CG-O 3.47Å
113R90.8Very high96.1Very high166 Ų16635.8 Ų35.863%0.62620%0.196SC*.THydrogen-bonded Turntrans-58.9-33.5170.2-64.9-166.1-174.2165-5.6111.9E107 T111E107-R113 VanDerWaalsContact OE1-CD 3.27Å; E107-R113 WeakPolarHBondContact OE1-CD 3.39Å; E107-R113 IonicContact OE1-CZ 3.18Å; E107-R113 IonicContact OE1-NE 3.03Å; E107-R113 IonicContact OE1-NH1 2.75Å; E107-R113 PolarHBondContact OE1-NH1 3.08Å; T111-R113 PolarHBondContact O-N 3Å
114V89.5Confident96.3Very high16 Ų1632 Ų3210%0.09718%0.176CC..SBendtrans-92.9130.3166.2-670000110.1R63 D105 L106 T111 P112 I116 A117R63-V114 PolarHBondContact NH2-O 3.08Å; D105-V114 HydrophobicContact CB-CG1 3.52Å; D105-V114 WeakPolarHBondContact O-CG1 3.24Å; L106-V114 HydrophobicContact CD2-CG1 4.34Å; T111-V114 VanDerWaalsContact O-CG2 3.31Å; T111-V114 WeakPolarHBondContact O-CG2 3.33Å; T111-V114 PolarHBondContact O-N 2.81Å; P112-V114 PolarHBondContact O-N 3.01Å; V114-I116 HydrophobicContact CB-CG1 3.85Å; V114-I116 HydrophobicContact CG2-CD1 4.14Å; V114-I116 HydrophobicContact CG2-CG1 3.55Å; V114-I116 PolarHBondContact O-N 3.01Å; V114-A117 HydrophobicContact CG2-CB 4.36Å; V114-A117 PolarHBondContact O-N 3.29Å; V114-A117 VanDerWaalsContact O-N 3.15Å
115S92Very high96.4Very high53 Ų5331.3 Ų31.337%0.37117%0.171SC..THydrogen-bonded Turntrans-58.7-22-176.759.70000113.6P62 R63 A117P62-S115 WeakPolarHBondContact CB-O 3.5Å; R63-S115 WeakPolarHBondContact CD-O 3.32Å; R63-S115 PolarHBondContact NE-O 2.7Å; S115-A117 VanDerWaalsContact C-N 3.29Å; S115-A117 PolarHBondContact O-N 3.13Å
116I95.3Very high96.6Very high7 Ų726.9 Ų26.94%0.03615%0.147CC..THydrogen-bonded Turntrans-70.8-15.5-179.562.2164.3000115.1P62 L81 Y82 W85 L90 I91 V114P62-I116 HydrophobicContact CB-CG2 4.26Å; P62-I116 HydrophobicContact CG-CG2 3.92Å; L81-I116 HydrophobicContact CD2-CD1 4.46Å; L81-I116 HydrophobicContact CG-CD1 4.2Å; Y82-I116 HydrophobicContact CD1-CD1 3.8Å; Y82-I116 HydrophobicContact CE1-CD1 4.17Å; W85-I116 HydrophobicContact CB-CG2 4.5Å; W85-I116 VanDerWaalsContact CD1-CD1 3.47Å; W85-I116 HydrophobicContact CD2-CB 4.25Å; W85-I116 HydrophobicContact CD2-CG2 3.5Å; W85-I116 VanDerWaalsContact CD2-CG2 3.5Å; W85-I116 VanDerWaalsContact CE2-CG2 3.41Å; W85-I116 HydrophobicContact CE3-CG2 4.14Å; W85-I116 HydrophobicContact CG-CB 4.2Å; W85-I116 HydrophobicContact CG-CD1 4.07Å; W85-I116 HydrophobicContact CG-CG2 3.66Å; W85-I116 HydrophobicContact CZ2-CB 4.33Å; W85-I116 HydrophobicContact CZ2-CG2 3.97Å; L90-I116 HydrophobicContact CD2-CG2 3.58Å; I91-I116 HydrophobicContact CD1-CD1 4.14Å; V114-I116 HydrophobicContact CB-CG1 3.85Å; V114-I116 HydrophobicContact CG2-CD1 4.14Å; V114-I116 HydrophobicContact CG2-CG1 3.55Å; V114-I116 PolarHBondContact O-N 3.01Å
117A96.9Very high96.6Very high5 Ų526.5 Ų26.54%0.04115%0.146CC..  trans-115.6128.6178.100000110.2R63 P110 V114 S115R63-A117 PolarHBondContact NH2-O 2.98Å; P110-A117 HydrophobicContact CB-CB 3.87Å; V114-A117 HydrophobicContact CG2-CB 4.36Å; V114-A117 PolarHBondContact O-N 3.29Å; V114-A117 VanDerWaalsContact O-N 3.15Å; S115-A117 VanDerWaalsContact C-N 3.29Å; S115-A117 PolarHBondContact O-N 3.13Å
118D97.9Very high96.7Very high14 Ų1424.1 Ų24.18%0.07514%0.135CC..SBendtrans-84.9-28.1175.4-73.3-67.2000112.6R63 M134 T383 R384R63-D118 IonicContact NE-OD1 3.13Å; D118-M134 HydrophobicContact CB-CE 3.68Å; D118-T383 HydrophobicContact CB-CG2 4.16Å; D118-R384 VanDerWaalsContact OD1-CG 3.3Å; D118-R384 WeakPolarHBondContact OD1-CG 3.28Å; D118-R384 IonicContact OD1-CZ 3.76Å; D118-R384 IonicContact OD1-NE 2.8Å; D118-R384 PolarHBondContact OD1-NE 3.33Å; D118-R384 IonicContact OD1-NH2 3.94Å; D118-R384 IonicContact OD2-CZ 3.81Å; D118-R384 IonicContact OD2-NE 3.19Å; D118-R384 PolarHBondContact OD2-NE 3.12Å; D118-R384 IonicContact OD2-NH2 2.74Å; D118-R384 PolarHBondContact OD2-NH2 2.81Å
119V98.5Very high96.8Very high7 Ų723.5 Ų23.54%0.04213%0.128CC..SBendtrans-142151.5-176.3-64.60000110.7V71 T121 C130 M134 I379 T383V71-V119 HydrophobicContact CG1-CG2 4.1Å; V119-T121 HydrophobicContact CG2-CG2 4.01Å; V119-C130 HydrophobicContact CG1-CB 4.23Å; V119-C130 HydrophobicContact CG2-CB 4.1Å; V119-M134 HydrophobicContact CG1-CE 4.01Å; V119-M134 HydrophobicContact CG2-CE 4.32Å; V119-I379 HydrophobicContact CG1-CG2 3.71Å; V119-T383 HydrophobicContact CG1-CG2 3.81Å
120A98.6Very high96.8Very high6 Ų620.7 Ų20.75%0.0512%0.115CC..  trans-84136.3172.100000111.2P110 T111 M407 I410 S411P110-A120 VanDerWaalsContact O-CA 3.28Å; P110-A120 WeakPolarHBondContact O-CA 3.28Å; T111-A120 HydrophobicContact CG2-CB 4.42Å; A120-M407 VanDerWaalsContact C-CE 3.4Å; A120-M407 HydrophobicContact CB-CE 3.6Å; A120-M407 WeakPolarHBondContact O-CE 3.14Å; A120-I410 HydrophobicContact CB-CB 4.36Å; A120-I410 HydrophobicContact CB-CG2 3.67Å; A120-S411 WeakPolarHBondContact CB-OG 3.22Å; A120-S411 PolarHBondContact N-OG 3.42Å
121T98.6Very high96.9Very high3 Ų320.5 Ų20.52%0.01811%0.114CC..  trans-133.422.9-170.256.30000113.7V71 L72 G75 V119 S123V71-T121 HydrophobicContact CG1-CG2 4Å; L72-T121 WeakPolarHBondContact O-CB 3.25Å; L72-T121 PolarHBondContact O-OG1 2.9Å; G75-T121 WeakPolarHBondContact CA-O 3.49Å; G75-T121 VanDerWaalsContact CA-OG1 3.31Å; G75-T121 WeakPolarHBondContact CA-OG1 3.39Å; G75-T121 PolarHBondContact N-O 3.27Å; V119-T121 HydrophobicContact CG2-CG2 4.01Å; T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact O-N 2.92Å
122G96.9Very high97Very high30 Ų3020 Ų2031%0.30911%0.111SC..  trans-64.6-33.4177.400000113.5
123S98.6Very high97.2Very high26 Ų2619.3 Ų19.318%0.18211%0.107CC..SBendtrans-82.2121.3167.9-161.40000109.6T121 D403T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact O-N 2.92Å; S123-D403 WeakPolarHBondContact CB-OD2 3.23Å; S123-D403 PolarHBondContact OG-OD2 2.76Å
124L98.5Very high97.6Very high57 Ų5711.5 Ų11.530%0.2988%0.077SC..THydrogen-bonded Turntrans-68.3156.8-174-63.8177.7000111.4Q126 E156L124-Q126 VanDerWaalsContact C-N 3.29Å; L124-Q126 PolarHBondContact O-N 3Å; L124-E156 HydrophobicContact CB-CB 4.19Å; L124-E156 HydrophobicContact CB-CG 4.04Å; L124-E156 HydrophobicContact CD1-CB 4.31Å; L124-E156 HydrophobicContact CD2-CB 4.28Å; L124-E156 HydrophobicContact CD2-CG 4.44Å; L124-E156 HydrophobicContact CG-CB 4.5Å
125G98.5Very high98Very high0 Ų010.7 Ų10.70%07%0.073CC..THydrogen-bonded Turntrans86.6-7.3173.600000114.7E156 S161G125-E156 PolarHBondContact N-OE1 3.45Å; G125-S161 PolarHBondContact O-OG 3.18Å
126Q98.8Very high98.4Very high7 Ų78.9 Ų8.93%0.0336%0.058CC..  trans-95.9-28.4-173.3-56.1-164.813.700114.5L124 L128 S129 C130 D403 Q404L124-Q126 VanDerWaalsContact C-N 3.29Å; L124-Q126 PolarHBondContact O-N 3Å; Q126-L128 VanDerWaalsContact C-N 3.3Å; Q126-L128 PolarHBondContact O-N 2.78Å; Q126-S129 PolarHBondContact O-N 2.95Å; Q126-C130 PolarHBondContact O-N 2.94Å; Q126-D403 VanDerWaalsContact NE2-CG 3.32Å; Q126-D403 PolarHBondContact NE2-O 2.87Å; Q126-D403 PolarHBondContact NE2-OD2 3.38Å; Q126-Q404 HydrophobicContact CG-CG 4.24Å
127G98.8Very high98.5Very high1 Ų18.6 Ų8.61%0.016%0.056CC..Hα-helixtrans-63.5-32.7-170.900000113.7S73 C130 A131S73-G127 VanDerWaalsContact OG-CA 3.24Å; S73-G127 WeakPolarHBondContact OG-CA 3.26Å; S73-G127 PolarHBondContact OG-N 3.31Å; S73-G127 VanDerWaalsContact OG-N 3.1Å; G127-C130 PolarHBondContact O-N 3.32Å; G127-A131 WeakPolarHBondContact O-CB 3.37Å; G127-A131 PolarHBondContact O-N 2.79Å
128L98.9Very high98.6Very high0 Ų08.4 Ų8.40%05%0.054CC..Hα-helixtrans-67.3-37.1178.5-174.558.8000112.4Q126 A131 A132 C150 I152 I162 A165 L166 L177 A179 W210Q126-L128 VanDerWaalsContact C-N 3.3Å; Q126-L128 PolarHBondContact O-N 2.78Å; L128-A131 PolarHBondContact O-N 2.91Å; L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 2.79Å; L128-C150 HydrophobicContact CD1-CB 4.17Å; L128-I152 HydrophobicContact CB-CD1 4.06Å; L128-I152 HydrophobicContact CD1-CD1 4.15Å; L128-I152 HydrophobicContact CD2-CD1 3.79Å; L128-I152 HydrophobicContact CG-CD1 4.2Å; L128-I162 HydrophobicContact CB-CD1 3.93Å; L128-I162 HydrophobicContact CD2-CD1 4.45Å; L128-I162 HydrophobicContact CD2-CG2 4.2Å; L128-A165 HydrophobicContact CB-CB 4.04Å; L128-A165 HydrophobicContact CD2-CB 3.92Å; L128-A165 HydrophobicContact CG-CB 3.69Å; L128-L166 HydrophobicContact CD2-CD2 3.92Å; L128-L166 HydrophobicContact CD2-CG 3.99Å; L128-L177 HydrophobicContact CD1-CD2 4.27Å; L128-A179 HydrophobicContact CD1-CB 4.11Å; L128-W210 HydrophobicContact CD1-CH2 4.31Å
129S98.9Very high98.6Very high1 Ų110.1 Ų10.11%0.0076%0.061CC..Hα-helixtrans-63.6-43.7174.2-61.90000111.6Q126 A132 G133 N373 V377Q126-S129 PolarHBondContact O-N 2.95Å; S129-A132 WeakPolarHBondContact O-CB 3.33Å; S129-A132 PolarHBondContact O-N 2.75Å; S129-G133 PolarHBondContact O-N 2.94Å; S129-N373 VanDerWaalsContact CB-OD1 3.26Å; S129-N373 WeakPolarHBondContact CB-OD1 3.38Å; S129-N373 PolarHBondContact OG-OD1 3.26Å; S129-V377 WeakPolarHBondContact O-CA 3.43Å
130C98.9Very high98.6Very high7 Ų713.5 Ų13.55%0.0477%0.074CC..Hα-helixtrans-61.8-44.7173.9-63.70000111.8V119 Q126 G127 A132 G133 M134 G376 G380V119-C130 HydrophobicContact CG1-CB 4.23Å; V119-C130 HydrophobicContact CG2-CB 4.1Å; Q126-C130 PolarHBondContact O-N 2.94Å; G127-C130 PolarHBondContact O-N 3.32Å; C130-A132 VanDerWaalsContact C-N 3.3Å; C130-A132 PolarHBondContact O-N 3.46Å; C130-G133 PolarHBondContact O-N 2.95Å; C130-M134 WeakPolarHBondContact O-CG 3.28Å; C130-M134 PolarHBondContact O-N 3.49Å; C130-G376 WeakPolarHBondContact CA-O 3.45Å; C130-G380 VanDerWaalsContact O-CA 3.25Å; C130-G380 WeakPolarHBondContact O-CA 3.43Å
131A98.9Very high98.6Very high0 Ų014.7 Ų14.70%08%0.078CC..Hα-helixtrans-61.3-38.8175.900000112V71 G127 L128 M134 A135 V148 C150 L177V71-A131 HydrophobicContact CB-CB 4.36Å; V71-A131 HydrophobicContact CG2-CB 4.05Å; G127-A131 WeakPolarHBondContact O-CB 3.37Å; G127-A131 PolarHBondContact O-N 2.79Å; L128-A131 PolarHBondContact O-N 2.91Å; A131-M134 PolarHBondContact O-N 2.83Å; A131-A135 WeakPolarHBondContact O-CB 3.24Å; A131-A135 PolarHBondContact O-N 3.23Å; A131-V148 HydrophobicContact CB-CG1 3.77Å; A131-C150 HydrophobicContact CB-CB 3.8Å; A131-L177 HydrophobicContact CB-CD1 3.87Å
132A98.9Very high98.5Very high0 Ų015.1 Ų15.10%08%0.08CC..Hα-helixtrans-63-40.3174.500000112L128 S129 C130 A135 Y136 F168 L174 L177 V377L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 2.79Å; S129-A132 WeakPolarHBondContact O-CB 3.33Å; S129-A132 PolarHBondContact O-N 2.75Å; C130-A132 VanDerWaalsContact C-N 3.3Å; C130-A132 PolarHBondContact O-N 3.46Å; A132-A135 PolarHBondContact O-N 3.46Å; A132-Y136 VanDerWaalsContact O-CB 3.3Å; A132-Y136 WeakPolarHBondContact O-CB 3.48Å; A132-Y136 PolarHBondContact O-N 2.97Å; A132-F168 HydrophobicContact CB-CD1 3.86Å; A132-F168 HydrophobicContact CB-CE1 4.18Å; A132-L174 HydrophobicContact CB-CD1 4.14Å; A132-L174 WeakPolarHBondContact O-CD1 3.4Å; A132-L177 HydrophobicContact CB-CD2 4.35Å; A132-V377 HydrophobicContact CB-CG2 4.36Å
133G98.9Very high98.5Very high0 Ų021.8 Ų21.80%010%0.101CC..Hα-helixtrans-63.5-42.3172.800000113.9S129 C130 A135 Y136 T137 V377 C381S129-G133 PolarHBondContact O-N 2.94Å; C130-G133 PolarHBondContact O-N 2.95Å; G133-A135 VanDerWaalsContact C-N 3.33Å; G133-A135 PolarHBondContact O-N 3.28Å; G133-Y136 PolarHBondContact O-N 3.16Å; G133-T137 WeakPolarHBondContact O-CB 3.43Å; G133-T137 PolarHBondContact O-N 3.48Å; G133-T137 PolarHBondContact O-OG1 3.16Å; G133-V377 WeakPolarHBondContact CA-O 3.42Å; G133-C381 PolarHBondContact O-SG 3.27Å; G133-C381 VanDerWaalsContact O-SG 3.36Å
134M98.9Very high98.4Very high1 Ų121.4 Ų21.41%0.00510%0.099CC..Hα-helixtrans-62.2-41.2174.3-65.5166.2-176.400111.9R69 V71 D118 V119 C130 A131 G138 Y146 V148 T383R69-M134 HydrophobicContact CB-SD 3.9Å; R69-M134 HydrophobicContact CG-CB 4.46Å; R69-M134 HydrophobicContact CG-CG 4.43Å; R69-M134 HydrophobicContact CG-SD 3.92Å; V71-M134 HydrophobicContact CG2-CE 3.94Å; V71-M134 HydrophobicContact CG2-SD 3.69Å; D118-M134 HydrophobicContact CB-CE 3.68Å; V119-M134 HydrophobicContact CG1-CE 4.01Å; V119-M134 HydrophobicContact CG2-CE 4.32Å; C130-M134 WeakPolarHBondContact O-CG 3.28Å; C130-M134 PolarHBondContact O-N 3.49Å; A131-M134 PolarHBondContact O-N 2.83Å; M134-G138 PolarHBondContact O-N 3.01Å; M134-Y146 PolarHBondContact O-OH 3.35Å; M134-Y146 VanDerWaalsContact O-OH 3.07Å; M134-V148 HydrophobicContact CB-CG1 4.21Å; M134-V148 HydrophobicContact CB-CG2 3.96Å; M134-V148 HydrophobicContact SD-CG1 4.36Å; M134-T383 HydrophobicContact CE-CG2 3.66Å
135A98.9Very high98.2Very high0 Ų023 Ų230%011%0.108CC..Hα-helixtrans-70.6-43.318000000111.5A131 A132 G133 T137 G138 K139 V148 L174 N176 L177A131-A135 WeakPolarHBondContact O-CB 3.24Å; A131-A135 PolarHBondContact O-N 3.23Å; A132-A135 PolarHBondContact O-N 3.46Å; G133-A135 VanDerWaalsContact C-N 3.33Å; G133-A135 PolarHBondContact O-N 3.28Å; A135-T137 VanDerWaalsContact C-N 3.32Å; A135-T137 PolarHBondContact O-N 3.47Å; A135-G138 PolarHBondContact O-N 2.87Å; A135-K139 WeakPolarHBondContact O-CB 3.35Å; A135-K139 PolarHBondContact O-N 2.84Å; A135-V148 HydrophobicContact CB-CB 4.15Å; A135-V148 HydrophobicContact CB-CG2 3.79Å; A135-L174 HydrophobicContact CB-CB 4.44Å; A135-L174 HydrophobicContact CB-CD1 4.12Å; A135-N176 PolarHBondContact O-ND2 2.85Å; A135-N176 PolarHBondContact O-OD1 2.85Å; A135-L177 HydrophobicContact CB-CB 3.88Å; A135-L177 HydrophobicContact CB-CD1 4.39Å
136Y98.9Very high98.2Very high15 Ų1523.3 Ų23.36%0.05911%0.109CC..Hα-helixtrans-56.5-48.5172.7-169.1-73.7000110.5A132 G133 G138 K139 Y140 F141 F168 Y172 L174 I365A132-Y136 VanDerWaalsContact O-CB 3.3Å; A132-Y136 WeakPolarHBondContact O-CB 3.48Å; A132-Y136 PolarHBondContact O-N 2.97Å; G133-Y136 PolarHBondContact O-N 3.16Å; Y136-G138 PolarHBondContact O-N 2.61Å; Y136-K139 PolarHBondContact O-N 2.9Å; Y136-Y140 AromaticContact CD1-CD2 3.85Å; Y136-Y140 HydrophobicContact CD1-CD2 3.85Å; Y136-Y140 AromaticContact CD2-CD2 3.76Å; Y136-Y140 HydrophobicContact CD2-CD2 3.76Å; Y136-Y140 AromaticContact CD2-CE2 3.97Å; Y136-Y140 HydrophobicContact CD2-CE2 3.97Å; Y136-Y140 AromaticContact CE1-CD2 3.77Å; Y136-Y140 HydrophobicContact CE1-CD2 3.77Å; Y136-Y140 HydrophobicContact CE1-CG 4.19Å; Y136-Y140 AromaticContact CE2-CD2 3.72Å; Y136-Y140 HydrophobicContact CE2-CD2 3.72Å; Y136-Y140 AromaticContact CE2-CE2 3.94Å; Y136-Y140 HydrophobicContact CE2-CE2 3.94Å; Y136-Y140 AromaticContact CG-CD2 3.82Å; Y136-Y140 HydrophobicContact CG-CD2 3.82Å; Y136-Y140 HydrophobicContact CG-CE2 4.42Å; Y136-Y140 AromaticContact CZ-CD2 3.72Å; Y136-Y140 PolarHBondContact O-N 2.95Å; Y136-F141 HydrophobicContact CD1-CD2 4.33Å; Y136-F141 AromaticContact CD1-CE2 3.72Å; Y136-F141 HydrophobicContact CD1-CE2 3.72Å; Y136-F141 AromaticContact CD1-CZ 3.98Å; Y136-F141 HydrophobicContact CD1-CZ 3.98Å; Y136-F141 HydrophobicContact CE1-CE1 4.1Å; Y136-F141 AromaticContact CE1-CE2 3.74Å; Y136-F141 HydrophobicContact CE1-CE2 3.74Å; Y136-F141 AromaticContact CE1-CZ 3.48Å; Y136-F141 HydrophobicContact CE1-CZ 3.48Å; Y136-F141 VanDerWaalsContact CE1-CZ 3.48Å; Y136-F168 HydrophobicContact CD2-CE1 4Å; Y136-F168 AromaticContact CD2-CZ 3.77Å; Y136-F168 HydrophobicContact CD2-CZ 3.77Å; Y136-F168 HydrophobicContact CE2-CZ 4.31Å; Y136-F168 HydrophobicContact CG-CZ 4.47Å; Y136-Y172 HydrophobicContact CD2-CD1 4.33Å; Y136-Y172 HydrophobicContact CD2-CD2 4.44Å; Y136-Y172 HydrophobicContact CD2-CG 4.08Å; Y136-Y172 AromaticContact CE2-CD1 3.56Å; Y136-Y172 HydrophobicContact CE2-CD1 3.56Å; Y136-Y172 HydrophobicContact CE2-CD2 4.24Å; Y136-Y172 AromaticContact CE2-CE1 3.85Å; Y136-Y172 HydrophobicContact CE2-CE1 3.85Å; Y136-Y172 AromaticContact CE2-CG 3.76Å; Y136-Y172 HydrophobicContact CE2-CG 3.76Å; Y136-L174 HydrophobicContact CD2-CD2 4.3Å; Y136-I365 HydrophobicContact CD1-CD1 3.69Å; Y136-I365 HydrophobicContact CD1-CG1 4.42Å; Y136-I365 HydrophobicContact CE1-CD1 3.53Å; Y136-I365 HydrophobicContact CE1-CG1 3.78Å; Y136-I365 HydrophobicContact CE2-CD1 4.41Å; Y136-I365 HydrophobicContact CE2-CG1 4.39Å; Y136-I365 HydrophobicContact CE2-CG2 4.1Å; Y136-I365 HydrophobicContact CG-CD1 4.24Å
137T98.8Very high98.2Very high1 Ų124.1 Ų24.11%0.00611%0.112CC..Iπ-helixtrans-59.1-46.1177.1-63.10000111.6G133 A135 K139 F141 D142 C381 R386 T387G133-T137 WeakPolarHBondContact O-CB 3.43Å; G133-T137 PolarHBondContact O-N 3.48Å; G133-T137 PolarHBondContact O-OG1 3.16Å; A135-T137 VanDerWaalsContact C-N 3.32Å; A135-T137 PolarHBondContact O-N 3.47Å; T137-K139 VanDerWaalsContact C-N 3.31Å; T137-K139 PolarHBondContact O-N 3.47Å; T137-F141 HydrophobicContact CG2-CB 4.35Å; T137-F141 HydrophobicContact CG2-CD2 4.22Å; T137-F141 WeakPolarHBondContact O-CA 3.46Å; T137-F141 PolarHBondContact O-N 3.33Å; T137-D142 PolarHBondContact O-N 3.03Å; T137-C381 WeakPolarHBondContact OG1-CA 3.41Å; T137-C381 PolarHBondContact OG1-SG 3.47Å; T137-C381 VanDerWaalsContact OG1-SG 3.38Å; T137-R386 HydrophobicContact CG2-CB 3.71Å; T137-R386 HydrophobicContact CG2-CG 4.08Å; T137-T387 HydrophobicContact CG2-CG2 4.29Å
138G98.3Very high98.2Very high0 Ų024.1 Ų24.10%011%0.111CC..Iπ-helixtrans-60.8-41.5179.800000112.9M134 A135 Y136 K143 A144 Y146M134-G138 PolarHBondContact O-N 3.01Å; A135-G138 PolarHBondContact O-N 2.87Å; Y136-G138 PolarHBondContact O-N 2.61Å; G138-K143 CarbonylContact O-C 3.52Å; G138-K143 VanDerWaalsContact O-CA 3.28Å; G138-K143 WeakPolarHBondContact O-CA 3.42Å; G138-K143 PolarHBondContact O-N 2.89Å; G138-A144 PolarHBondContact O-N 2.97Å; G138-Y146 WeakPolarHBondContact CA-OH 3.35Å; G138-Y146 PolarHBondContact N-OH 3.29Å
139K98.2Very high98.2Very high50 Ų5024.1 Ų24.122%0.21711%0.111CC..Iπ-helixtrans-77.7-48.7-176.4-178.3166.6-179.5154.60113.1A135 Y136 T137 H173 L174 D175A135-K139 WeakPolarHBondContact O-CB 3.35Å; A135-K139 PolarHBondContact O-N 2.84Å; Y136-K139 PolarHBondContact O-N 2.9Å; T137-K139 VanDerWaalsContact C-N 3.31Å; T137-K139 PolarHBondContact O-N 3.47Å; K139-H173 PolarHBondContact NZ-O 2.62Å; K139-L174 HydrophobicContact CD-CD2 4.41Å; K139-D175 IonicContact NZ-OD1 3.79Å; K139-D175 PolarHBondContact NZ-OD1 2.91Å; K139-D175 IonicContact NZ-OD2 2.73Å
140Y98.2Very high98.2Very high78 Ų7824 Ų2431%0.30611%0.111SC..Iπ-helixtrans-102-31.5-166.7-62.9-65.4000113.8Y136 Y172 L174Y136-Y140 AromaticContact CD1-CD2 3.85Å; Y136-Y140 HydrophobicContact CD1-CD2 3.85Å; Y136-Y140 AromaticContact CD2-CD2 3.76Å; Y136-Y140 HydrophobicContact CD2-CD2 3.76Å; Y136-Y140 AromaticContact CD2-CE2 3.97Å; Y136-Y140 HydrophobicContact CD2-CE2 3.97Å; Y136-Y140 AromaticContact CE1-CD2 3.77Å; Y136-Y140 HydrophobicContact CE1-CD2 3.77Å; Y136-Y140 HydrophobicContact CE1-CG 4.19Å; Y136-Y140 AromaticContact CE2-CD2 3.72Å; Y136-Y140 HydrophobicContact CE2-CD2 3.72Å; Y136-Y140 AromaticContact CE2-CE2 3.94Å; Y136-Y140 HydrophobicContact CE2-CE2 3.94Å; Y136-Y140 AromaticContact CG-CD2 3.82Å; Y136-Y140 HydrophobicContact CG-CD2 3.82Å; Y136-Y140 HydrophobicContact CG-CE2 4.42Å; Y136-Y140 AromaticContact CZ-CD2 3.72Å; Y136-Y140 PolarHBondContact O-N 2.95Å; Y140-Y172 PolarHBondContact OH-O 2.87Å; Y140-L174 HydrophobicContact CE2-CD2 3.84Å
141F97.5Very high98.2Very high32 Ų3223.7 Ų23.714%0.1411%0.109CC..Iπ-helixtrans-101.8-52.9-177.2-56.4-40.8000113Y136 T137 R339 I341 D362 I365 T387Y136-F141 HydrophobicContact CD1-CD2 4.33Å; Y136-F141 AromaticContact CD1-CE2 3.72Å; Y136-F141 HydrophobicContact CD1-CE2 3.72Å; Y136-F141 AromaticContact CD1-CZ 3.98Å; Y136-F141 HydrophobicContact CD1-CZ 3.98Å; Y136-F141 HydrophobicContact CE1-CE1 4.1Å; Y136-F141 AromaticContact CE1-CE2 3.74Å; Y136-F141 HydrophobicContact CE1-CE2 3.74Å; Y136-F141 AromaticContact CE1-CZ 3.48Å; Y136-F141 HydrophobicContact CE1-CZ 3.48Å; Y136-F141 VanDerWaalsContact CE1-CZ 3.48Å; T137-F141 HydrophobicContact CG2-CB 4.35Å; T137-F141 HydrophobicContact CG2-CD2 4.22Å; T137-F141 WeakPolarHBondContact O-CA 3.46Å; T137-F141 PolarHBondContact O-N 3.33Å; F141-R339 PolarHBondContact O-NH1 3.24Å; F141-I341 HydrophobicContact CD2-CG2 4.45Å; F141-I341 HydrophobicContact CE1-CG2 4.03Å; F141-I341 HydrophobicContact CE2-CD1 3.7Å; F141-I341 HydrophobicContact CE2-CG2 3.83Å; F141-I341 HydrophobicContact CZ-CB 4.23Å; F141-I341 HydrophobicContact CZ-CD1 4.16Å; F141-I341 HydrophobicContact CZ-CG2 3.57Å; F141-D362 WeakPolarHBondContact CE1-O 3.4Å; F141-I365 HydrophobicContact CE2-CD1 4.15Å; F141-I365 HydrophobicContact CZ-CD1 4.1Å; F141-I365 HydrophobicContact CZ-CG1 4.39Å; F141-T387 HydrophobicContact CD2-CG2 3.79Å; F141-T387 HydrophobicContact CE2-CG2 4.25Å
142D97.4Very high98.2Very high12 Ų1223.7 Ų23.76%0.06411%0.109CC..SBendtrans-78.2-29.4179.4-71.8-9.1000111.6T137 A144 Y146 L298 R339 R386T137-D142 PolarHBondContact O-N 3.03Å; D142-A144 HydrophobicContact CB-CB 4.01Å; D142-A144 PolarHBondContact O-N 2.89Å; D142-Y146 HydrophobicContact CB-CE1 4.28Å; D142-L298 HydrophobicContact CB-CD2 3.76Å; D142-R339 IonicContact OD1-CZ 2.74Å; D142-R339 VanDerWaalsContact OD1-CZ 3.28Å; D142-R339 IonicContact OD1-NH1 2.83Å; D142-R339 PolarHBondContact OD1-NH1 3.3Å; D142-R339 IonicContact OD1-NH2 3.74Å; D142-R339 PolarHBondContact OD1-NH2 3.39Å; D142-R386 VanDerWaalsContact CG-NH2 3.33Å; D142-R386 IonicContact OD1-CZ 2.72Å; D142-R386 IonicContact OD1-NE 3.15Å; D142-R386 PolarHBondContact OD1-NE 2.95Å; D142-R386 IonicContact OD1-NH2 3.27Å; D142-R386 PolarHBondContact OD1-NH2 2.58Å; D142-R386 IonicContact OD2-CZ 3.58Å; D142-R386 IonicContact OD2-NE 3.73Å; D142-R386 PolarHBondContact OD2-NE 3.42Å; D142-R386 IonicContact OD2-NH2 2.64Å; D142-R386 PolarHBondContact OD2-NH2 3.41Å
143K96.6Very high98.2Very high170 Ų17024 Ų2474%0.73911%0.111SC*.  trans50.337.9-174.8-58.3176.2-177.1174.60111.3G138G138-K143 CarbonylContact O-C 3.52Å; G138-K143 VanDerWaalsContact O-CA 3.28Å; G138-K143 WeakPolarHBondContact O-CA 3.42Å; G138-K143 PolarHBondContact O-N 2.89Å
144A96.3Very high98.1Very high18 Ų1824.1 Ų24.115%0.14911%0.112CC..  trans-100.5160.8-173.100000111.4G138 D142 Y146 L298G138-A144 PolarHBondContact O-N 2.97Å; D142-A144 HydrophobicContact CB-CB 4.01Å; D142-A144 PolarHBondContact O-N 2.89Å; A144-Y146 VanDerWaalsContact C-N 3.25Å; A144-Y146 HydrophobicContact CB-CD1 3.64Å; A144-Y146 HydrophobicContact CB-CE1 3.9Å; A144-Y146 PolarHBondContact O-N 3.25Å; A144-L298 HydrophobicContact CB-CD1 4.03Å
145D95.7Very high98Very high89 Ų8925.1 Ų25.148%0.47612%0.122SC..SBendtrans-79.4-4-173.5-168.362.3000113.9R56R56-D145 IonicContact CZ-OD2 2.83Å; R56-D145 IonicContact NH1-OD2 3.84Å; R56-D145 PolarHBondContact NH1-OD2 3.35Å; R56-D145 PolarHBondContact NH2-O 2.96Å; R56-D145 IonicContact NH2-OD2 2.67Å; R56-D145 PolarHBondContact NH2-OD2 3.06Å
146Y98Very high98Very high7 Ų725.3 Ų25.33%0.02712%0.123CC..  trans-69.8146-17674-106.9000112.2Y66 D68 R69 M134 G138 D142 A144 V148Y66-Y146 WeakPolarHBondContact O-CB 3.5Å; D68-Y146 WeakPolarHBondContact OD1-CA 3.33Å; R69-Y146 VanDerWaalsContact NH1-CD1 3.3Å; M134-Y146 PolarHBondContact O-OH 3.35Å; M134-Y146 VanDerWaalsContact O-OH 3.07Å; G138-Y146 WeakPolarHBondContact CA-OH 3.35Å; G138-Y146 PolarHBondContact N-OH 3.29Å; D142-Y146 HydrophobicContact CB-CE1 4.28Å; A144-Y146 VanDerWaalsContact C-N 3.25Å; A144-Y146 HydrophobicContact CB-CD1 3.64Å; A144-Y146 HydrophobicContact CB-CE1 3.9Å; A144-Y146 PolarHBondContact O-N 3.25Å; Y146-V148 HydrophobicContact CD2-CG2 4.32Å; Y146-V148 HydrophobicContact CE2-CG2 4.1Å
147R98.4Very high97.9Very high25 Ų2525 Ų259%0.09412%0.123CC..  trans-104.6163.5174.2-67.2173.667.792.6-7.2110.7D68 R69 F149 N176 A230D68-R147 CarbonylContact C-O 3.57Å; D68-R147 VanDerWaalsContact CA-O 3.26Å; D68-R147 WeakPolarHBondContact CA-O 3.21Å; D68-R147 WeakPolarHBondContact CB-O 3.34Å; D68-R147 PolarHBondContact OD1-N 3.03Å; R69-R147 PolarHBondContact N-O 3.13Å; R147-F149 HydrophobicContact CB-CD2 4.41Å; R147-F149 HydrophobicContact CB-CE2 3.65Å; R147-F149 HydrophobicContact CB-CZ 4.04Å; R147-N176 CarbonylContact C-O 3.59Å; R147-N176 WeakPolarHBondContact CA-O 3.42Å; R147-A230 PolarHBondContact NH1-O 2.78Å; R147-A230 VanDerWaalsContact NH2-C 3.29Å; R147-A230 PolarHBondContact NH2-O 3.26Å
148V98.9Very high97.9Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-123.1129176.3-171.60000109.1R69 A131 M134 A135 Y146 N176 L177 V178R69-V148 HydrophobicContact CB-CB 4.38Å; R69-V148 HydrophobicContact CB-CG1 3.95Å; R69-V148 HydrophobicContact CB-CG2 4.12Å; R69-V148 CarbonylContact O-C 3.58Å; R69-V148 WeakPolarHBondContact O-CA 3.4Å; A131-V148 HydrophobicContact CB-CG1 3.77Å; M134-V148 HydrophobicContact CB-CG1 4.21Å; M134-V148 HydrophobicContact CB-CG2 3.96Å; M134-V148 HydrophobicContact SD-CG1 4.36Å; A135-V148 HydrophobicContact CB-CB 4.15Å; A135-V148 HydrophobicContact CB-CG2 3.79Å; Y146-V148 HydrophobicContact CD2-CG2 4.32Å; Y146-V148 HydrophobicContact CE2-CG2 4.1Å; V148-N176 PolarHBondContact N-O 3.38Å; V148-L177 HydrophobicContact CB-CD1 3.94Å; V148-L177 HydrophobicContact CG1-CD1 3.95Å; V148-L177 WeakPolarHBondContact O-CA 3.34Å; V148-V178 PolarHBondContact O-N 2.88Å
149F98.9Very high97.9Very high0 Ų032.8 Ų32.80%017%0.168CC..EExtended strand (participates in β ladder)trans-118.5129.6179.9-61.1-92.9000109.5L50 E54 M55 D68 R69 F70 V71 R147 V178 I180 F227L50-F149 HydrophobicContact CD2-CB 4.39Å; L50-F149 HydrophobicContact CD2-CD1 3.51Å; L50-F149 HydrophobicContact CD2-CE1 3.91Å; L50-F149 HydrophobicContact CD2-CG 4.02Å; E54-F149 HydrophobicContact CG-CE1 3.72Å; E54-F149 HydrophobicContact CG-CZ 3.62Å; M55-F149 HydrophobicContact CG-CD2 3.69Å; M55-F149 HydrophobicContact CG-CE2 3.7Å; M55-F149 HydrophobicContact CG-CG 4.31Å; M55-F149 HydrophobicContact CG-CZ 4.32Å; M55-F149 HydrophobicContact SD-CB 4.38Å; M55-F149 HydrophobicContact SD-CD2 3.82Å; M55-F149 HydrophobicContact SD-CE2 4.42Å; M55-F149 HydrophobicContact SD-CG 4.26Å; D68-F149 HydrophobicContact CB-CD2 4.42Å; D68-F149 HydrophobicContact CB-CE2 4.18Å; R69-F149 PolarHBondContact O-N 3.01Å; F70-F149 CarbonylContact C-O 3.37Å; F70-F149 WeakPolarHBondContact CA-O 3.43Å; F70-F149 HydrophobicContact CD2-CB 4.24Å; V71-F149 PolarHBondContact N-O 2.66Å; R147-F149 HydrophobicContact CB-CD2 4.41Å; R147-F149 HydrophobicContact CB-CE2 3.65Å; R147-F149 HydrophobicContact CB-CZ 4.04Å; F149-V178 CarbonylContact C-O 3.58Å; F149-V178 WeakPolarHBondContact CA-O 3.43Å; F149-V178 HydrophobicContact CD1-CB 3.71Å; F149-V178 HydrophobicContact CD1-CG1 4.22Å; F149-V178 HydrophobicContact CD1-CG2 4.05Å; F149-V178 HydrophobicContact CE1-CB 4.03Å; F149-V178 HydrophobicContact CE1-CG2 3.85Å; F149-I180 HydrophobicContact CB-CD1 4.35Å; F149-I180 HydrophobicContact CD1-CD1 4.45Å; F149-F227 HydrophobicContact CE1-CD1 4.38Å
150C98.9Very high97.9Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-127.6121.8-178.8-173.20000110.6V71 L128 A131 V178 A179 I180V71-C150 HydrophobicContact CB-CB 4.49Å; V71-C150 CarbonylContact O-C 3.5Å; V71-C150 VanDerWaalsContact O-CA 3.29Å; V71-C150 WeakPolarHBondContact O-CA 3.42Å; L128-C150 HydrophobicContact CD1-CB 4.17Å; A131-C150 HydrophobicContact CB-CB 3.8Å; C150-V178 PolarHBondContact N-O 3.45Å; C150-A179 CarbonylContact O-C 3.4Å; C150-A179 WeakPolarHBondContact O-CA 3.4Å; C150-I180 WeakPolarHBondContact O-CD1 3.37Å; C150-I180 PolarHBondContact O-N 3Å
151V98.9Very high98Very high0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-100.8123.4177.8-179.60000109.8I46 L50 F70 V71 L72 S73 K74 I180I46-V151 HydrophobicContact CG2-CG2 4.15Å; L50-V151 HydrophobicContact CD1-CG2 4.1Å; F70-V151 HydrophobicContact CE2-CG2 3.63Å; F70-V151 HydrophobicContact CZ-CB 4.49Å; F70-V151 HydrophobicContact CZ-CG2 3.86Å; V71-V151 PolarHBondContact O-N 2.89Å; L72-V151 HydrophobicContact CD1-CB 4.16Å; L72-V151 HydrophobicContact CD1-CG1 4.34Å; S73-V151 WeakPolarHBondContact CA-O 3.31Å; S73-V151 WeakPolarHBondContact CB-O 3.44Å; S73-V151 PolarHBondContact N-O 3.21Å; K74-V151 HydrophobicContact CD-CG1 4Å; K74-V151 HydrophobicContact CG-CG1 4.19Å; K74-V151 PolarHBondContact N-O 3.45Å; V151-I180 WeakPolarHBondContact CA-O 3.43Å; V151-I180 HydrophobicContact CG2-CB 4.31Å; V151-I180 HydrophobicContact CG2-CD1 4.28Å
152I98.8Very high98Very high0 Ų027.1 Ų27.10%016%0.156CC..EExtended strand (participates in β ladder)trans-123138.3-170.7-50.9169.9000108.6L128 E156 I162 A179 I180 F181 D182L128-I152 HydrophobicContact CB-CD1 4.06Å; L128-I152 HydrophobicContact CD1-CD1 4.15Å; L128-I152 HydrophobicContact CD2-CD1 3.79Å; L128-I152 HydrophobicContact CG-CD1 4.2Å; I152-E156 WeakPolarHBondContact CA-OE2 3.5Å; I152-E156 HydrophobicContact CG2-CB 4.35Å; I152-E156 HydrophobicContact CG2-CG 3.71Å; I152-E156 WeakPolarHBondContact CG2-OE2 3.4Å; I152-I162 HydrophobicContact CD1-CD1 4.37Å; I152-I162 HydrophobicContact CG2-CD1 3.98Å; I152-A179 HydrophobicContact CD1-CB 4.12Å; I152-I180 PolarHBondContact N-O 3.02Å; I152-F181 HydrophobicContact CB-CD1 4.47Å; I152-F181 HydrophobicContact CD1-CE1 4.29Å; I152-F181 HydrophobicContact CD1-CE2 4.35Å; I152-F181 HydrophobicContact CD1-CZ 4.06Å; I152-F181 HydrophobicContact CG2-CD1 4.46Å; I152-F181 HydrophobicContact CG2-CE1 4.38Å; I152-D182 PolarHBondContact O-N 2.81Å
153G98.5Very high98.1Very high5 Ų528.9 Ų28.95%0.05216%0.162CC..EExtended strand (participates in β ladder)trans-76.3150.7170.400000112.4E156 S157G153-E156 PolarHBondContact N-OE2 3.42Å; G153-E156 WeakPolarHBondContact O-CB 3.47Å; G153-E156 PolarHBondContact O-N 3.1Å; G153-S157 PolarHBondContact O-N 3.13Å; G153-S157 VanDerWaalsContact O-N 3.1Å
154D97.8Very high98.2Very high4 Ų422.7 Ų22.72%0.02114%0.136CC..THydrogen-bonded Turntrans-60.7-47.2170.651.9-5.6000113.6E156 S157 D182 V183 N184 R185 L186 A192 Y201D154-E156 PolarHBondContact O-N 2.88Å; D154-S157 WeakPolarHBondContact O-CB 3.29Å; D154-S157 PolarHBondContact O-N 3.31Å; D154-S157 VanDerWaalsContact O-N 3.08Å; D154-S157 PolarHBondContact O-OG 2.64Å; D154-D182 PolarHBondContact N-O 3.07Å; D154-V183 HydrophobicContact CB-CG1 4.28Å; D154-N184 PolarHBondContact OD2-N 3.48Å; D154-R185 WeakPolarHBondContact OD2-CA 3.37Å; D154-R185 PolarHBondContact OD2-N 3.01Å; D154-L186 PolarHBondContact OD2-N 3.32Å; D154-A192 HydrophobicContact CB-CB 4.31Å; D154-Y201 HydrophobicContact CB-CE1 4.46Å; D154-Y201 WeakPolarHBondContact CB-OH 3.44Å
155G97.1Very high98.3Very high21 Ų2121.9 Ų21.922%0.21613%0.129CC..THydrogen-bonded Turntrans-58.6-39.3174.500000112.5S157 S158G155-S157 VanDerWaalsContact C-N 3.28Å; G155-S157 PolarHBondContact O-N 2.83Å; G155-S158 WeakPolarHBondContact O-CB 3.42Å; G155-S158 PolarHBondContact O-N 2.65Å; G155-S158 PolarHBondContact O-OG 2.83Å
156E98.4Very high98.5Very high5 Ų517.6 Ų17.62%0.02311%0.106CC..G310 helixtrans-61.8-31.5175.5162.6177.6-150.800112.7S73 K74 L124 G125 I152 G153 D154 S158 E159 I162S73-E156 VanDerWaalsContact CB-OE1 3.25Å; S73-E156 WeakPolarHBondContact CB-OE1 3.4Å; S73-E156 PolarHBondContact OG-OE1 3.47Å; K74-E156 PolarHBondContact N-OE2 3Å; L124-E156 HydrophobicContact CB-CB 4.19Å; L124-E156 HydrophobicContact CB-CG 4.04Å; L124-E156 HydrophobicContact CD1-CB 4.31Å; L124-E156 HydrophobicContact CD2-CB 4.28Å; L124-E156 HydrophobicContact CD2-CG 4.44Å; L124-E156 HydrophobicContact CG-CB 4.5Å; G125-E156 PolarHBondContact N-OE1 3.45Å; I152-E156 WeakPolarHBondContact CA-OE2 3.5Å; I152-E156 HydrophobicContact CG2-CB 4.35Å; I152-E156 HydrophobicContact CG2-CG 3.71Å; I152-E156 WeakPolarHBondContact CG2-OE2 3.4Å; G153-E156 PolarHBondContact N-OE2 3.42Å; G153-E156 WeakPolarHBondContact O-CB 3.47Å; G153-E156 PolarHBondContact O-N 3.1Å; D154-E156 PolarHBondContact O-N 2.88Å; E156-S158 PolarHBondContact O-N 3.26Å; E156-E159 WeakPolarHBondContact O-CB 3.48Å; E156-E159 PolarHBondContact O-N 3.19Å; E156-I162 HydrophobicContact CG-CD1 4.35Å; E156-I162 HydrophobicContact CG-CG1 4.43Å
157S97.1Very high98.5Very high7 Ų721.2 Ų21.25%0.04912%0.123CC..G310 helixtrans-64.6-2.917776.20000114.6G153 D154 G155 E159 W163G153-S157 PolarHBondContact O-N 3.13Å; G153-S157 VanDerWaalsContact O-N 3.1Å; D154-S157 WeakPolarHBondContact O-CB 3.29Å; D154-S157 PolarHBondContact O-N 3.31Å; D154-S157 VanDerWaalsContact O-N 3.08Å; D154-S157 PolarHBondContact O-OG 2.64Å; G155-S157 VanDerWaalsContact C-N 3.28Å; G155-S157 PolarHBondContact O-N 2.83Å; S157-E159 VanDerWaalsContact C-N 3.34Å; S157-W163 PolarHBondContact O-NE1 3.39Å
158S98Very high98.5Very high76 Ų7620.2 Ų20.253%0.53112%0.119SC..G310 helixtrans-77.3-18.6170-49.60000113.1G155 E156G155-S158 WeakPolarHBondContact O-CB 3.42Å; G155-S158 PolarHBondContact O-N 2.65Å; G155-S158 PolarHBondContact O-OG 2.83Å; E156-S158 PolarHBondContact O-N 3.26Å
159E98.8Very high98.5Very high89 Ų8920.2 Ų20.242%0.41612%0.119SC..SBendtrans-69.1130.1176.9-72.3-69175.500111.2E156 S157 S161 I162E156-E159 WeakPolarHBondContact O-CB 3.48Å; E156-E159 PolarHBondContact O-N 3.19Å; S157-E159 VanDerWaalsContact C-N 3.34Å; E159-S161 PolarHBondContact O-N 3.11Å; E159-I162 HydrophobicContact CB-CG1 4.4Å; E159-I162 WeakPolarHBondContact O-CB 3.19Å; E159-I162 PolarHBondContact O-N 3.38Å; E159-I162 VanDerWaalsContact O-N 3.13Å
160G98.7Very high98.5Very high40 Ų4020.6 Ų20.641%0.41212%0.123SC..Hα-helixtrans-58.8-32.6-178.600000113.4I162 W163 E164G160-I162 VanDerWaalsContact C-N 3.27Å; G160-I162 PolarHBondContact O-N 3.45Å; G160-W163 WeakPolarHBondContact O-CB 3.27Å; G160-W163 PolarHBondContact O-N 2.94Å; G160-E164 PolarHBondContact O-N 2.94Å; G160-E164 VanDerWaalsContact O-N 3.1Å
161S98.8Very high98.5Very high1 Ų123.7 Ų23.71%0.00714%0.14CC..Hα-helixtrans-61.8-28.617847.80000113.7G125 E159 W163 E164 A165G125-S161 PolarHBondContact O-OG 3.18Å; E159-S161 PolarHBondContact O-N 3.11Å; S161-W163 VanDerWaalsContact C-N 3.3Å; S161-W163 PolarHBondContact O-N 3.15Å; S161-E164 PolarHBondContact O-N 3.45Å; S161-A165 WeakPolarHBondContact O-CB 3.4Å; S161-A165 PolarHBondContact O-N 3.18Å
162I98.8Very high98.5Very high0 Ų025.5 Ų25.50%015%0.146CC..Hα-helixtrans-61.8-42171.5-67.2-63000110.3L128 I152 E156 E159 G160 A165 L166 F181L128-I162 HydrophobicContact CB-CD1 3.93Å; L128-I162 HydrophobicContact CD2-CD1 4.45Å; L128-I162 HydrophobicContact CD2-CG2 4.2Å; I152-I162 HydrophobicContact CD1-CD1 4.37Å; I152-I162 HydrophobicContact CG2-CD1 3.98Å; E156-I162 HydrophobicContact CG-CD1 4.35Å; E156-I162 HydrophobicContact CG-CG1 4.43Å; E159-I162 HydrophobicContact CB-CG1 4.4Å; E159-I162 WeakPolarHBondContact O-CB 3.19Å; E159-I162 PolarHBondContact O-N 3.38Å; E159-I162 VanDerWaalsContact O-N 3.13Å; G160-I162 VanDerWaalsContact C-N 3.27Å; G160-I162 PolarHBondContact O-N 3.45Å; I162-A165 PolarHBondContact O-N 2.91Å; I162-L166 HydrophobicContact CG2-CD1 4.18Å; I162-L166 HydrophobicContact CG2-CG 4.41Å; I162-L166 VanDerWaalsContact O-CG 3.31Å; I162-L166 WeakPolarHBondContact O-CG 3.43Å; I162-L166 PolarHBondContact O-N 3.44Å; I162-F181 HydrophobicContact CG2-CE1 4.46Å
163W98.8Very high98.5Very high49 Ų4930 Ų3019%0.18617%0.167CC..Hα-helixtrans-74.1-36.1-178.1-57.392000112.1S157 G160 S161 A165 L166 H167 R204 F208S157-W163 PolarHBondContact O-NE1 3.39Å; G160-W163 WeakPolarHBondContact O-CB 3.27Å; G160-W163 PolarHBondContact O-N 2.94Å; S161-W163 VanDerWaalsContact C-N 3.3Å; S161-W163 PolarHBondContact O-N 3.15Å; W163-A165 VanDerWaalsContact C-N 3.31Å; W163-A165 PolarHBondContact O-N 3.43Å; W163-L166 HydrophobicContact CD2-CD1 4.37Å; W163-L166 HydrophobicContact CE3-CD1 3.75Å; W163-L166 HydrophobicContact CZ3-CD1 3.88Å; W163-L166 PolarHBondContact O-N 2.87Å; W163-H167 WeakPolarHBondContact O-CB 3.42Å; W163-H167 PolarHBondContact O-N 2.86Å; W163-R204 HydrophobicContact CH2-CB 3.51Å; W163-R204 HydrophobicContact CH2-CG 4.11Å; W163-R204 HydrophobicContact CZ3-CB 3.67Å; W163-R204 HydrophobicContact CZ3-CG 4.49Å; W163-F208 HydrophobicContact CB-CE1 4.4Å; W163-F208 HydrophobicContact CB-CZ 4.26Å; W163-F208 HydrophobicContact CE3-CD2 4.11Å; W163-F208 AromaticContact CE3-CE2 3.49Å; W163-F208 HydrophobicContact CE3-CE2 3.49Å; W163-F208 VanDerWaalsContact CE3-CE2 3.49Å; W163-F208 AromaticContact CE3-CZ 3.73Å; W163-F208 HydrophobicContact CE3-CZ 3.73Å; W163-F208 HydrophobicContact CZ3-CD2 4.29Å; W163-F208 AromaticContact CZ3-CE2 3.9Å; W163-F208 HydrophobicContact CZ3-CE2 3.9Å; W163-F208 WeakPolarHBondContact O-CE1 3.38Å
164E98.9Very high98.5Very high41 Ų4129.7 Ų29.719%0.19217%0.165CC..Hα-helixtrans-58.6-43.3168.8-64.5175.8-157.400111.1G160 S161 H167 F168 A370 Q372 N373G160-E164 PolarHBondContact O-N 2.94Å; G160-E164 VanDerWaalsContact O-N 3.1Å; S161-E164 PolarHBondContact O-N 3.45Å; E164-H167 PolarHBondContact O-N 3.21Å; E164-F168 WeakPolarHBondContact O-CB 3.37Å; E164-F168 PolarHBondContact O-N 3.23Å; E164-A370 HydrophobicContact CB-CB 4.16Å; E164-A370 HydrophobicContact CG-CB 3.97Å; E164-Q372 PolarHBondContact OE1-NE2 3.2Å; E164-Q372 WeakPolarHBondContact OE2-CB 3.46Å; E164-N373 HydrophobicContact CB-CB 3.57Å; E164-N373 WeakPolarHBondContact OE2-CB 3.28Å; E164-N373 PolarHBondContact OE2-N 3.4Å
165A98.9Very high98.6Very high0 Ų030.8 Ų30.80%017%0.17CC..Hα-helixtrans-70.3-38.2178.300000113.4L128 S161 I162 W163 H167 F168 A169 N373L128-A165 HydrophobicContact CB-CB 4.04Å; L128-A165 HydrophobicContact CD2-CB 3.92Å; L128-A165 HydrophobicContact CG-CB 3.69Å; S161-A165 WeakPolarHBondContact O-CB 3.4Å; S161-A165 PolarHBondContact O-N 3.18Å; I162-A165 PolarHBondContact O-N 2.91Å; W163-A165 VanDerWaalsContact C-N 3.31Å; W163-A165 PolarHBondContact O-N 3.43Å; A165-H167 VanDerWaalsContact C-N 3.35Å; A165-F168 PolarHBondContact O-N 3.08Å; A165-A169 WeakPolarHBondContact O-CB 3.28Å; A165-A169 PolarHBondContact O-N 3.38Å; A165-N373 VanDerWaalsContact CA-OD1 3.27Å; A165-N373 WeakPolarHBondContact CA-OD1 3.47Å; A165-N373 WeakPolarHBondContact CB-OD1 3.3Å
166L98.9Very high98.6Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-60.4-45.2171.9-72.7174000110.7L128 I162 W163 G170 F181 V205 F208 W210L128-L166 HydrophobicContact CD2-CD2 3.92Å; L128-L166 HydrophobicContact CD2-CG 3.99Å; I162-L166 HydrophobicContact CG2-CD1 4.18Å; I162-L166 HydrophobicContact CG2-CG 4.41Å; I162-L166 VanDerWaalsContact O-CG 3.31Å; I162-L166 WeakPolarHBondContact O-CG 3.43Å; I162-L166 PolarHBondContact O-N 3.44Å; W163-L166 HydrophobicContact CD2-CD1 4.37Å; W163-L166 HydrophobicContact CE3-CD1 3.75Å; W163-L166 HydrophobicContact CZ3-CD1 3.88Å; W163-L166 PolarHBondContact O-N 2.87Å; L166-G170 PolarHBondContact O-N 3.1Å; L166-F181 HydrophobicContact CD1-CZ 4.41Å; L166-F181 HydrophobicContact CD2-CZ 4.35Å; L166-V205 HydrophobicContact CD1-CG2 4.27Å; L166-V205 HydrophobicContact CD2-CG1 4.3Å; L166-F208 HydrophobicContact CB-CB 4.1Å; L166-F208 HydrophobicContact CB-CD1 4.1Å; L166-F208 HydrophobicContact CB-CG 4.15Å; L166-W210 HydrophobicContact CD2-CD2 3.92Å; L166-W210 HydrophobicContact CD2-CE3 4.44Å; L166-W210 HydrophobicContact CD2-CG 4.47Å; L166-W210 HydrophobicContact CD2-CH2 4.06Å; L166-W210 HydrophobicContact CD2-CZ2 3.46Å; L166-W210 VanDerWaalsContact CD2-CZ2 3.46Å; L166-W210 PolarHBondContact O-NE1 2.89Å
167H98.8Very high98.7Very high83 Ų8330.3 Ų30.338%0.38416%0.163SC..Hα-helixtrans-59.1-50.9175.8176.1-134.8000111.3W163 E164 A165 A169 G170 L171 F208W163-H167 WeakPolarHBondContact O-CB 3.42Å; W163-H167 PolarHBondContact O-N 2.86Å; E164-H167 PolarHBondContact O-N 3.21Å; A165-H167 VanDerWaalsContact C-N 3.35Å; H167-A169 PolarHBondContact O-N 2.98Å; H167-G170 PolarHBondContact O-N 2.95Å; H167-L171 VanDerWaalsContact O-CB 3.25Å; H167-L171 WeakPolarHBondContact O-CB 3.49Å; H167-L171 PolarHBondContact O-N 3.32Å; H167-F208 HydrophobicContact CB-CD1 3.73Å; H167-F208 HydrophobicContact CB-CE1 3.96Å
168F98.9Very high98.7Very high4 Ų430 Ų302%0.01816%0.161CC..Hα-helixtrans-56.6-50.7179-179.9-84.5000112.3A132 Y136 E164 A165 G170 L171 Y172 L174 I365 N373 V377A132-F168 HydrophobicContact CB-CD1 3.86Å; A132-F168 HydrophobicContact CB-CE1 4.18Å; Y136-F168 HydrophobicContact CD2-CE1 4Å; Y136-F168 AromaticContact CD2-CZ 3.77Å; Y136-F168 HydrophobicContact CD2-CZ 3.77Å; Y136-F168 HydrophobicContact CE2-CZ 4.31Å; Y136-F168 HydrophobicContact CG-CZ 4.47Å; E164-F168 WeakPolarHBondContact O-CB 3.37Å; E164-F168 PolarHBondContact O-N 3.23Å; A165-F168 PolarHBondContact O-N 3.08Å; F168-G170 PolarHBondContact O-N 3.34Å; F168-L171 PolarHBondContact O-N 3Å; F168-Y172 HydrophobicContact CD1-CD2 4.02Å; F168-Y172 AromaticContact CD2-CD2 3.71Å; F168-Y172 HydrophobicContact CD2-CD2 3.71Å; F168-Y172 AromaticContact CD2-CE2 3.63Å; F168-Y172 HydrophobicContact CD2-CE2 3.63Å; F168-Y172 AromaticContact CE1-CD2 3.84Å; F168-Y172 HydrophobicContact CE1-CD2 3.84Å; F168-Y172 HydrophobicContact CE1-CE2 4.47Å; F168-Y172 AromaticContact CE2-CD2 3.51Å; F168-Y172 HydrophobicContact CE2-CD2 3.51Å; F168-Y172 AromaticContact CE2-CE2 3.3Å; F168-Y172 HydrophobicContact CE2-CE2 3.3Å; F168-Y172 AromaticContact CG-CD2 3.96Å; F168-Y172 HydrophobicContact CG-CD2 3.96Å; F168-Y172 HydrophobicContact CG-CE2 4.34Å; F168-Y172 AromaticContact CZ-CD2 3.57Å; F168-Y172 HydrophobicContact CZ-CD2 3.57Å; F168-Y172 AromaticContact CZ-CE2 3.77Å; F168-Y172 HydrophobicContact CZ-CE2 3.77Å; F168-Y172 HydrophobicContact CZ-CG 4.44Å; F168-Y172 WeakPolarHBondContact O-CD2 3.44Å; F168-Y172 PolarHBondContact O-N 3.07Å; F168-L174 HydrophobicContact CD1-CD1 4.25Å; F168-L174 HydrophobicContact CE1-CD1 4.1Å; F168-I365 HydrophobicContact CE2-CG2 3.59Å; F168-I365 HydrophobicContact CZ-CG2 3.71Å; F168-N373 WeakPolarHBondContact CB-ND2 3.38Å; F168-V377 HydrophobicContact CD1-CG2 4.09Å; F168-V377 HydrophobicContact CD2-CG2 4.26Å; F168-V377 HydrophobicContact CE1-CG1 4.21Å; F168-V377 HydrophobicContact CE1-CG2 3.93Å; F168-V377 HydrophobicContact CE2-CG1 4.16Å; F168-V377 HydrophobicContact CE2-CG2 4.09Å; F168-V377 HydrophobicContact CG-CG2 4.26Å; F168-V377 HydrophobicContact CZ-CB 4.48Å; F168-V377 HydrophobicContact CZ-CG1 3.68Å; F168-V377 HydrophobicContact CZ-CG2 3.94Å
169A98.9Very high98.8Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-67.8-35.6-176.700000113.1A165 H167 H173 L174 L177 W210 P237A165-A169 WeakPolarHBondContact O-CB 3.28Å; A165-A169 PolarHBondContact O-N 3.38Å; H167-A169 PolarHBondContact O-N 2.98Å; A169-H173 PolarHBondContact O-N 2.73Å; A169-H173 VanDerWaalsContact O-N 3.14Å; A169-L174 HydrophobicContact CB-CB 4.34Å; A169-L174 HydrophobicContact CB-CD1 3.91Å; A169-L174 HydrophobicContact CB-CG 4.33Å; A169-L174 PolarHBondContact O-N 2.87Å; A169-L177 HydrophobicContact CB-CD2 3.79Å; A169-W210 HydrophobicContact CB-CH2 4.21Å; A169-W210 HydrophobicContact CB-CZ2 3.4Å; A169-P237 HydrophobicContact CB-CB 4.3Å; A169-P237 HydrophobicContact CB-CG 4.13Å
170G98.8Very high98.8Very high8 Ų822.1 Ų22.18%0.08212%0.116CC..Hα-helixtrans-65.4-47.3174.100000111.5L166 H167 F168 H173L166-G170 PolarHBondContact O-N 3.1Å; H167-G170 PolarHBondContact O-N 2.95Å; F168-G170 PolarHBondContact O-N 3.34Å; G170-H173 PolarHBondContact O-N 2.76Å; G170-H173 PolarHBondContact O-ND1 3.14Å
171L98.5Very high98.8Very high65 Ų6520.2 Ų20.234%0.3410%0.096SC..Hα-helixtrans-60.6-45.6178.1-179.569000112.4H167 F168 H173 Y368H167-L171 VanDerWaalsContact O-CB 3.25Å; H167-L171 WeakPolarHBondContact O-CB 3.49Å; H167-L171 PolarHBondContact O-N 3.32Å; F168-L171 PolarHBondContact O-N 3Å; L171-H173 PolarHBondContact O-N 2.91Å; L171-Y368 HydrophobicContact CD2-CD2 3.9Å; L171-Y368 HydrophobicContact CD2-CE2 3.13Å
172Y98.7Very high98.8Very high37 Ų3720.2 Ų20.215%0.14510%0.096CC..THydrogen-bonded Turntrans-86.912.5179-72.1-69.8000113.6Y136 Y140 F168 L174 I365 E366Y136-Y172 HydrophobicContact CD2-CD1 4.33Å; Y136-Y172 HydrophobicContact CD2-CD2 4.44Å; Y136-Y172 HydrophobicContact CD2-CG 4.08Å; Y136-Y172 AromaticContact CE2-CD1 3.56Å; Y136-Y172 HydrophobicContact CE2-CD1 3.56Å; Y136-Y172 HydrophobicContact CE2-CD2 4.24Å; Y136-Y172 AromaticContact CE2-CE1 3.85Å; Y136-Y172 HydrophobicContact CE2-CE1 3.85Å; Y136-Y172 AromaticContact CE2-CG 3.76Å; Y136-Y172 HydrophobicContact CE2-CG 3.76Å; Y140-Y172 PolarHBondContact OH-O 2.87Å; F168-Y172 HydrophobicContact CD1-CD2 4.02Å; F168-Y172 AromaticContact CD2-CD2 3.71Å; F168-Y172 HydrophobicContact CD2-CD2 3.71Å; F168-Y172 AromaticContact CD2-CE2 3.63Å; F168-Y172 HydrophobicContact CD2-CE2 3.63Å; F168-Y172 AromaticContact CE1-CD2 3.84Å; F168-Y172 HydrophobicContact CE1-CD2 3.84Å; F168-Y172 HydrophobicContact CE1-CE2 4.47Å; F168-Y172 AromaticContact CE2-CD2 3.51Å; F168-Y172 HydrophobicContact CE2-CD2 3.51Å; F168-Y172 AromaticContact CE2-CE2 3.3Å; F168-Y172 HydrophobicContact CE2-CE2 3.3Å; F168-Y172 AromaticContact CG-CD2 3.96Å; F168-Y172 HydrophobicContact CG-CD2 3.96Å; F168-Y172 HydrophobicContact CG-CE2 4.34Å; F168-Y172 AromaticContact CZ-CD2 3.57Å; F168-Y172 HydrophobicContact CZ-CD2 3.57Å; F168-Y172 AromaticContact CZ-CE2 3.77Å; F168-Y172 HydrophobicContact CZ-CE2 3.77Å; F168-Y172 HydrophobicContact CZ-CG 4.44Å; F168-Y172 WeakPolarHBondContact O-CD2 3.44Å; F168-Y172 PolarHBondContact O-N 3.07Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 2.89Å; Y172-I365 HydrophobicContact CE2-CG2 4.22Å; Y172-E366 WeakPolarHBondContact CE2-O 3.44Å; Y172-E366 WeakPolarHBondContact OH-CA 3.46Å; Y172-E366 PolarHBondContact OH-N 2.99Å; Y172-E366 PolarHBondContact OH-O 2.99Å
173H98.6Very high98.8Very high94 Ų9420.2 Ų20.244%0.43510%0.096SC..THydrogen-bonded Turntrans5142.6173-57.4-54.2000113.6K139 A169 G170 L171 D175 H235K139-H173 PolarHBondContact NZ-O 2.62Å; A169-H173 PolarHBondContact O-N 2.73Å; A169-H173 VanDerWaalsContact O-N 3.14Å; G170-H173 PolarHBondContact O-N 2.76Å; G170-H173 PolarHBondContact O-ND1 3.14Å; L171-H173 PolarHBondContact O-N 2.91Å; H173-D175 VanDerWaalsContact C-N 3.25Å; H173-D175 PolarHBondContact O-N 3.15Å; H173-H235 WeakPolarHBondContact CB-O 3.26Å; H173-H235 PolarHBondContact ND1-O 3.34Å; H173-H235 VanDerWaalsContact ND1-O 3.09Å
174L98.8Very high98.8Very high0 Ų018 Ų180%09%0.088CC..  trans-7370.4-171.7-58.7-175.7000112.8A132 A135 Y136 K139 Y140 F168 A169 Y172 N176 L177 P237A132-L174 HydrophobicContact CB-CD1 4.14Å; A132-L174 WeakPolarHBondContact O-CD1 3.4Å; A135-L174 HydrophobicContact CB-CB 4.44Å; A135-L174 HydrophobicContact CB-CD1 4.12Å; Y136-L174 HydrophobicContact CD2-CD2 4.3Å; K139-L174 HydrophobicContact CD-CD2 4.41Å; Y140-L174 HydrophobicContact CE2-CD2 3.84Å; F168-L174 HydrophobicContact CD1-CD1 4.25Å; F168-L174 HydrophobicContact CE1-CD1 4.1Å; A169-L174 HydrophobicContact CB-CB 4.34Å; A169-L174 HydrophobicContact CB-CD1 3.91Å; A169-L174 HydrophobicContact CB-CG 4.33Å; A169-L174 PolarHBondContact O-N 2.87Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 2.89Å; L174-N176 PolarHBondContact O-N 3.27Å; L174-N176 VanDerWaalsContact O-N 3.15Å; L174-L177 HydrophobicContact CB-CB 4.08Å; L174-L177 HydrophobicContact CD1-CD2 4.47Å; L174-L177 WeakPolarHBondContact O-CB 3.44Å; L174-L177 PolarHBondContact O-N 3.16Å; L174-P237 WeakPolarHBondContact O-CA 3.33Å; L174-P237 VanDerWaalsContact O-CB 3.32Å; L174-P237 WeakPolarHBondContact O-CB 3.46Å
175D98.6Very high98.8Very high26 Ų2618.5 Ų18.514%0.1399%0.088CC..THydrogen-bonded Turntrans-69.1-3.2-179.957.6-4.3000115.7K139 H173 K234 H235 K236K139-D175 IonicContact NZ-OD1 3.79Å; K139-D175 PolarHBondContact NZ-OD1 2.91Å; K139-D175 IonicContact NZ-OD2 2.73Å; H173-D175 VanDerWaalsContact C-N 3.25Å; H173-D175 PolarHBondContact O-N 3.15Å; D175-K234 WeakPolarHBondContact OD2-CA 3.42Å; D175-H235 PolarHBondContact OD2-N 2.96Å; D175-K236 VanDerWaalsContact CA-O 3.28Å; D175-K236 WeakPolarHBondContact CA-O 3.42Å; D175-K236 WeakPolarHBondContact CB-O 3.24Å
176N98.7Very high98.8Very high16 Ų1618.8 Ų18.89%0.0869%0.089CC..THydrogen-bonded Turntrans-93.4-0.8166.365.2-29.2000113.5A135 R147 V148 L174A135-N176 PolarHBondContact O-ND2 2.85Å; A135-N176 PolarHBondContact O-OD1 2.85Å; R147-N176 CarbonylContact C-O 3.59Å; R147-N176 WeakPolarHBondContact CA-O 3.42Å; V148-N176 PolarHBondContact N-O 3.38Å; L174-N176 PolarHBondContact O-N 3.27Å; L174-N176 VanDerWaalsContact O-N 3.15Å
177L98.9Very high98.7Very high0 Ų020.1 Ų20.10%010%0.101CC..EExtended strand (participates in β ladder)trans-99.8130.9176.3-178.362.1000111.9L128 A131 A132 A135 V148 A169 L174 W210 P237 T238L128-L177 HydrophobicContact CD1-CD2 4.27Å; A131-L177 HydrophobicContact CB-CD1 3.87Å; A132-L177 HydrophobicContact CB-CD2 4.35Å; A135-L177 HydrophobicContact CB-CB 3.88Å; A135-L177 HydrophobicContact CB-CD1 4.39Å; V148-L177 HydrophobicContact CB-CD1 3.94Å; V148-L177 HydrophobicContact CG1-CD1 3.95Å; V148-L177 WeakPolarHBondContact O-CA 3.34Å; A169-L177 HydrophobicContact CB-CD2 3.79Å; L174-L177 HydrophobicContact CB-CB 4.08Å; L174-L177 HydrophobicContact CD1-CD2 4.47Å; L174-L177 WeakPolarHBondContact O-CB 3.44Å; L174-L177 PolarHBondContact O-N 3.16Å; L177-W210 HydrophobicContact CD2-CH2 3.68Å; L177-W210 HydrophobicContact CD2-CZ2 4.2Å; L177-W210 HydrophobicContact CG-CH2 4.05Å; L177-P237 HydrophobicContact CB-CB 4.39Å; L177-T238 PolarHBondContact O-N 2.9Å; L177-T238 VanDerWaalsContact O-N 3.08Å
178V98.9Very high98.6Very high0 Ų023 Ų230%011%0.114CC..EExtended strand (participates in β ladder)trans-120.9117.9169.8-173.20000110.1V148 F149 C150 I180 F227 A230 T238 V240V148-V178 PolarHBondContact O-N 2.88Å; F149-V178 CarbonylContact C-O 3.58Å; F149-V178 WeakPolarHBondContact CA-O 3.43Å; F149-V178 HydrophobicContact CD1-CB 3.71Å; F149-V178 HydrophobicContact CD1-CG1 4.22Å; F149-V178 HydrophobicContact CD1-CG2 4.05Å; F149-V178 HydrophobicContact CE1-CB 4.03Å; F149-V178 HydrophobicContact CE1-CG2 3.85Å; C150-V178 PolarHBondContact N-O 3.45Å; V178-I180 HydrophobicContact CG1-CD1 4.05Å; V178-I180 HydrophobicContact CG1-CG1 4.34Å; V178-F227 HydrophobicContact CG1-CD1 4.26Å; V178-F227 HydrophobicContact CG1-CE1 4.22Å; V178-A230 HydrophobicContact CG2-CB 4.15Å; V178-T238 CarbonylContact C-O 3.5Å; V178-T238 VanDerWaalsContact CA-O 3.23Å; V178-T238 WeakPolarHBondContact CA-O 3.2Å; V178-V240 HydrophobicContact CG1-CG2 4.2Å
179A98.9Very high98.5Very high0 Ų026.9 Ų26.90%014%0.142CC..EExtended strand (participates in β ladder)trans-96135.5169.400000109.7L128 C150 I152 F181 W210 T238 A239 V240L128-A179 HydrophobicContact CD1-CB 4.11Å; C150-A179 CarbonylContact O-C 3.4Å; C150-A179 WeakPolarHBondContact O-CA 3.4Å; I152-A179 HydrophobicContact CD1-CB 4.12Å; A179-F181 HydrophobicContact CB-CE2 4.07Å; A179-W210 HydrophobicContact CB-CH2 3.85Å; A179-W210 HydrophobicContact CB-CZ3 3.59Å; A179-T238 PolarHBondContact N-O 3.22Å; A179-A239 CarbonylContact O-C 3.41Å; A179-A239 VanDerWaalsContact O-CA 3.25Å; A179-A239 WeakPolarHBondContact O-CA 3.47Å; A179-V240 PolarHBondContact O-N 3.14Å
180I98.9Very high98.4Very high0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-118.3112.3177-53.386.5000107.6I46 L50 F149 C150 V151 I152 V178 F227 V240 A242I46-I180 HydrophobicContact CD1-CG2 3.87Å; I46-I180 HydrophobicContact CG1-CG2 4.32Å; I46-I180 HydrophobicContact CG2-CG2 3.96Å; L50-I180 HydrophobicContact CD1-CD1 4.21Å; F149-I180 HydrophobicContact CB-CD1 4.35Å; F149-I180 HydrophobicContact CD1-CD1 4.45Å; C150-I180 WeakPolarHBondContact O-CD1 3.37Å; C150-I180 PolarHBondContact O-N 3Å; V151-I180 WeakPolarHBondContact CA-O 3.43Å; V151-I180 HydrophobicContact CG2-CB 4.31Å; V151-I180 HydrophobicContact CG2-CD1 4.28Å; I152-I180 PolarHBondContact N-O 3.02Å; V178-I180 HydrophobicContact CG1-CD1 4.05Å; V178-I180 HydrophobicContact CG1-CG1 4.34Å; I180-F227 HydrophobicContact CD1-CE1 4.24Å; I180-F227 HydrophobicContact CG1-CE1 3.79Å; I180-F227 HydrophobicContact CG1-CZ 4.08Å; I180-V240 WeakPolarHBondContact CA-O 3.47Å; I180-V240 HydrophobicContact CG1-CB 4.36Å; I180-V240 HydrophobicContact CG2-CB 4.38Å; I180-A242 HydrophobicContact CG2-CB 4.43Å
181F98.9Very high98.4Very high1 Ų134.1 Ų34.10%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-88.4112.1174.8-69.8-100.5000108.5I152 I162 L166 A179 V183 V205 A239 V240 I241 A242I152-F181 HydrophobicContact CB-CD1 4.47Å; I152-F181 HydrophobicContact CD1-CE1 4.29Å; I152-F181 HydrophobicContact CD1-CE2 4.35Å; I152-F181 HydrophobicContact CD1-CZ 4.06Å; I152-F181 HydrophobicContact CG2-CD1 4.46Å; I152-F181 HydrophobicContact CG2-CE1 4.38Å; I162-F181 HydrophobicContact CG2-CE1 4.46Å; L166-F181 HydrophobicContact CD1-CZ 4.41Å; L166-F181 HydrophobicContact CD2-CZ 4.35Å; A179-F181 HydrophobicContact CB-CE2 4.07Å; F181-V183 HydrophobicContact CB-CG2 4.01Å; F181-V183 PolarHBondContact O-N 2.93Å; F181-V183 VanDerWaalsContact O-N 3.16Å; F181-V205 HydrophobicContact CE2-CG2 4.16Å; F181-V205 HydrophobicContact CZ-CG2 4.1Å; F181-A239 HydrophobicContact CD2-CB 4.38Å; F181-A239 HydrophobicContact CE2-CB 4.14Å; F181-V240 PolarHBondContact N-O 3.14Å; F181-I241 HydrophobicContact CB-CD1 3.99Å; F181-I241 HydrophobicContact CD2-CD1 3.48Å; F181-I241 VanDerWaalsContact CD2-CD1 3.48Å; F181-I241 HydrophobicContact CE2-CD1 4.16Å; F181-I241 HydrophobicContact CG-CD1 3.86Å; F181-A242 PolarHBondContact O-N 3.27Å
182D98.8Very high98.4Very high0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-79.485171.217630.3000109.2S42 K74 I152 D154 N184 T244S42-D182 WeakPolarHBondContact CB-OD1 3.33Å; S42-D182 PolarHBondContact OG-OD1 2.79Å; S42-D182 PolarHBondContact OG-OD2 2.61Å; K74-D182 HydrophobicContact CD-CB 4.38Å; K74-D182 IonicContact NZ-OD2 3.27Å; K74-D182 PolarHBondContact NZ-OD2 2.76Å; I152-D182 PolarHBondContact O-N 2.81Å; D154-D182 PolarHBondContact N-O 3.07Å; D182-N184 VanDerWaalsContact C-N 3.33Å; D182-N184 PolarHBondContact O-N 2.97Å; D182-N184 VanDerWaalsContact O-N 3.08Å; D182-N184 PolarHBondContact OD2-ND2 3.37Å; D182-T244 WeakPolarHBondContact OD1-CB 3.32Å; D182-T244 WeakPolarHBondContact OD1-CG2 3.06Å; D182-T244 PolarHBondContact OD1-OG1 3.46Å
183V98.8Very high98.3Very high0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-8579.6-178.1-168.50000109.6D154 F181 G195 H196 I198 Y201 I241 A242 T244D154-V183 HydrophobicContact CB-CG1 4.28Å; F181-V183 HydrophobicContact CB-CG2 4.01Å; F181-V183 PolarHBondContact O-N 2.93Å; F181-V183 VanDerWaalsContact O-N 3.16Å; V183-G195 WeakPolarHBondContact CG1-O 3.5Å; V183-H196 PolarHBondContact O-CD2 3.18Å; V183-H196 PolarHBondContact O-NE2 3.44Å; V183-I198 HydrophobicContact CB-CD1 4.02Å; V183-I198 HydrophobicContact CG1-CD1 3.86Å; V183-I198 HydrophobicContact CG2-CD1 4.36Å; V183-Y201 HydrophobicContact CG1-CD2 4.02Å; V183-Y201 HydrophobicContact CG1-CE2 3.43Å; V183-Y201 VanDerWaalsContact CG1-CE2 3.43Å; V183-Y201 HydrophobicContact CG2-CD2 4.28Å; V183-Y201 HydrophobicContact CG2-CE2 4.27Å; V183-Y201 HydrophobicContact CG2-CG 4.43Å; V183-I241 HydrophobicContact CG2-CG2 3.75Å; V183-A242 WeakPolarHBondContact CB-O 3.35Å; V183-A242 PolarHBondContact N-O 3.35Å; V183-T244 VanDerWaalsContact C-OG1 3.32Å; V183-T244 PolarHBondContact O-N 3.32Å; V183-T244 PolarHBondContact O-OG1 3.25Å
184N98.7Very high98.2Very high3 Ų331.5 Ų31.52%0.01618%0.177CC..  trans-95.610.4-175.769.751.6000114.1D154 D182 L186 T244 K246D154-N184 PolarHBondContact OD2-N 3.48Å; D182-N184 VanDerWaalsContact C-N 3.33Å; D182-N184 PolarHBondContact O-N 2.97Å; D182-N184 VanDerWaalsContact O-N 3.08Å; D182-N184 PolarHBondContact OD2-ND2 3.37Å; N184-L186 PolarHBondContact O-N 2.93Å; N184-L186 VanDerWaalsContact O-N 3.13Å; N184-L186 PolarHBondContact OD1-N 3.21Å; N184-L186 PolarHBondContact OD1-O 2.93Å; N184-T244 VanDerWaalsContact CA-OG1 3.26Å; N184-T244 WeakPolarHBondContact CA-OG1 3.37Å; N184-T244 VanDerWaalsContact CB-OG1 3.25Å; N184-T244 WeakPolarHBondContact CB-OG1 3.42Å; N184-T244 PolarHBondContact N-OG1 3.26Å; N184-K246 HydrophobicContact CB-CB 4.07Å
185R98.7Very high98.2Very high52 Ų5232.1 Ų32.120%0.19618%0.184CC..SBendtrans74.1-24.4-179-163.9-176.365.279.1-1.6115.4D154 A191 A192 D255 E257D154-R185 WeakPolarHBondContact OD2-CA 3.37Å; D154-R185 PolarHBondContact OD2-N 3.01Å; R185-A191 CarbonylContact O-C 3.55Å; R185-A191 WeakPolarHBondContact O-CA 3.34Å; R185-A192 PolarHBondContact O-N 3.38Å; R185-D255 IonicContact CZ-OD1 2.86Å; R185-D255 VanDerWaalsContact CZ-OD1 3.28Å; R185-D255 IonicContact NE-OD1 3.93Å; R185-D255 PolarHBondContact NE-OD1 3.4Å; R185-D255 IonicContact NE-OD2 3.28Å; R185-D255 PolarHBondContact NH2-O 3.18Å; R185-D255 IonicContact NH2-OD1 3.95Å; R185-D255 PolarHBondContact NH2-OD1 3.24Å; R185-D255 IonicContact NH2-OD2 3.54Å; R185-E257 IonicContact NH1-OE1 2.68Å
186L98.4Very high98.2Very high5 Ų533 Ų333%0.02619%0.187CC..BIsolated β-bridgetrans-119.8124.6-161.9-69.6-176.7000112.8D154 N184 A191 K246 A256 E257D154-L186 PolarHBondContact OD2-N 3.32Å; N184-L186 PolarHBondContact O-N 2.93Å; N184-L186 VanDerWaalsContact O-N 3.13Å; N184-L186 PolarHBondContact OD1-N 3.21Å; N184-L186 PolarHBondContact OD1-O 2.93Å; L186-A191 HydrophobicContact CD2-CB 4.27Å; L186-K246 HydrophobicContact CB-CB 4.28Å; L186-K246 HydrophobicContact CB-CD 3.55Å; L186-K246 HydrophobicContact CD1-CB 4.17Å; L186-K246 HydrophobicContact CD1-CD 4.31Å; L186-K246 PolarHBondContact O-NZ 2.75Å; L186-A256 VanDerWaalsContact CD1-O 3.24Å; L186-A256 WeakPolarHBondContact CD1-O 3.48Å; L186-E257 HydrophobicContact CD1-CG 4.39Å; L186-E257 HydrophobicContact CD2-CG 3.73Å
187A97.2Very high98.2Very high29 Ų2935.7 Ų35.724%0.2420%0.201CC..  trans-79.7-152.6167.300000110.6Q190 K246A187-Q190 WeakPolarHBondContact CB-O 3.31Å; A187-Q190 PolarHBondContact N-O 3.32Å; A187-K246 PolarHBondContact O-NZ 2.82Å
188Q97.9Very high98.1Very high143 Ų14337 Ų3767%0.66821%0.208SC*.SBendtrans-75.5-50.7-179.9169.1164.7-31.100112.8
189S97.1Very high98.1Very high86 Ų8642 Ų4260%0.60123%0.234SC*.SBendtrans-109.8-10.5-169.956.10000114.6
190Q96.4Very high98.1Very high128 Ų12844.4 Ų44.460%0.59825%0.247SC*.SBendtrans-164.4178.6-174.458.2-176.464.600110A187A187-Q190 WeakPolarHBondContact CB-O 3.31Å; A187-Q190 PolarHBondContact N-O 3.32Å
191A97.8Very high98.1Very high32 Ų3244.7 Ų44.726%0.26425%0.248SC..BIsolated β-bridgetrans-55.4139.9167.700000112.3R185 L186R185-A191 CarbonylContact O-C 3.55Å; R185-A191 WeakPolarHBondContact O-CA 3.34Å; L186-A191 HydrophobicContact CD2-CB 4.27Å
192A97.8Very high98.1Very high3 Ų349 Ų493%0.02527%0.265CS..  trans-60.6148.2167.400000109.3D154 R185 L194 G195D154-A192 HydrophobicContact CB-CB 4.31Å; R185-A192 PolarHBondContact O-N 3.38Å; A192-L194 PolarHBondContact O-N 2.98Å; A192-G195 PolarHBondContact O-N 3.2Å
193P97.4Very high98Very high109 Ų10955 Ų5571%0.70829%0.293SS*.THydrogen-bonded Turntrans-54.4-32-169.1-29.835.7000115.6
194L97.7Very high98Very high29 Ų2960.2 Ų60.215%0.15231%0.312CS..THydrogen-bonded Turntrans-96.9-6.9179.6-59-178.9000113.6A192 H196 N197 I200 Y201A192-L194 PolarHBondContact O-N 2.98Å; L194-H196 PolarHBondContact O-N 3.27Å; L194-N197 WeakPolarHBondContact O-CB 3.35Å; L194-N197 PolarHBondContact O-N 2.95Å; L194-I200 HydrophobicContact CD1-CB 4.24Å; L194-I200 HydrophobicContact CD1-CG2 3.66Å; L194-I200 HydrophobicContact CD2-CB 4.37Å; L194-I200 HydrophobicContact CD2-CD1 4.21Å; L194-I200 HydrophobicContact CD2-CG2 3.78Å; L194-I200 HydrophobicContact CG-CG2 4.36Å; L194-Y201 HydrophobicContact CB-CD2 4.31Å; L194-Y201 HydrophobicContact CB-CE1 4.47Å; L194-Y201 HydrophobicContact CB-CE2 3.54Å; L194-Y201 HydrophobicContact CD1-CD1 4Å; L194-Y201 HydrophobicContact CD1-CD2 4.15Å; L194-Y201 HydrophobicContact CD1-CE1 3.83Å; L194-Y201 HydrophobicContact CD1-CE2 4Å; L194-Y201 HydrophobicContact CD1-CG 4.16Å; L194-Y201 HydrophobicContact CG-CE2 4.41Å
195G97.8Very high98Very high13 Ų1360.1 Ų60.113%0.13431%0.312CS..THydrogen-bonded Turntrans45.9-125.7-172.900000112V183 A192V183-G195 WeakPolarHBondContact CG1-O 3.5Å; A192-G195 PolarHBondContact O-N 3.2Å
196H98.3Very high98Very high44 Ų4461.2 Ų61.220%0.20432%0.319CS..THydrogen-bonded Turntrans-94.624.3174.5-75.7152.7000114.5V183 L194 I198 T244 F245V183-H196 PolarHBondContact O-CD2 3.18Å; V183-H196 PolarHBondContact O-NE2 3.44Å; L194-H196 PolarHBondContact O-N 3.27Å; H196-I198 PolarHBondContact O-N 2.93Å; H196-T244 PolarHBondContact CE1-O 2.95Å; H196-T244 PolarHBondContact NE2-O 3.38Å; H196-F245 AromaticContact CE1-CD1 3.73Å; H196-F245 AromaticContact CE1-CE1 3.55Å
197N98.3Very high98Very high72 Ų7265.3 Ų65.339%0.38535%0.348SS..  trans-76.574.2174.3-164.8-26.6000111.1L194 D199 I200 Y201L194-N197 WeakPolarHBondContact O-CB 3.35Å; L194-N197 PolarHBondContact O-N 2.95Å; N197-D199 PolarHBondContact O-N 3.36Å; N197-I200 HydrophobicContact CB-CD1 4.34Å; N197-I200 WeakPolarHBondContact ND2-CD1 3.27Å; N197-I200 PolarHBondContact O-N 2.91Å; N197-I200 VanDerWaalsContact O-N 3.17Å; N197-I200 WeakPolarHBondContact OD1-CG1 3.14Å; N197-I200 PolarHBondContact OD1-N 3.36Å; N197-Y201 VanDerWaalsContact O-CD2 3.28Å; N197-Y201 WeakPolarHBondContact O-CD2 3.05Å; N197-Y201 PolarHBondContact O-N 3.33Å
198I98.3Very high98.1Very high27 Ų2767 Ų6714%0.13835%0.35CS..Hα-helixtrans-57.3-33.2-176.8-58.7-55.7000112.1V183 H196 I200 Y201 R202 C214 I241 K243V183-I198 HydrophobicContact CB-CD1 4.02Å; V183-I198 HydrophobicContact CG1-CD1 3.86Å; V183-I198 HydrophobicContact CG2-CD1 4.36Å; H196-I198 PolarHBondContact O-N 2.93Å; I198-I200 PolarHBondContact O-N 2.82Å; I198-Y201 PolarHBondContact O-N 3.38Å; I198-R202 WeakPolarHBondContact O-CB 3.42Å; I198-R202 PolarHBondContact O-N 2.95Å; I198-C214 HydrophobicContact CG2-CB 3.75Å; I198-I241 HydrophobicContact CD1-CG2 4.19Å; I198-I241 HydrophobicContact CG2-CG2 4.03Å; I198-K243 HydrophobicContact CD1-CB 3.78Å; I198-K243 HydrophobicContact CD1-CG 4.14Å; I198-K243 HydrophobicContact CG1-CB 4.11Å; I198-K243 HydrophobicContact CG1-CD 4.26Å; I198-K243 HydrophobicContact CG1-CG 4.34Å
199D98.3Very high98.1Very high105 Ų10561.7 Ų61.756%0.56133%0.334SS*.Hα-helixtrans-66.5-36.8-179.8-66.9-29.9000112.2N197 R202 Q203N197-D199 PolarHBondContact O-N 3.36Å; D199-R202 WeakPolarHBondContact O-CB 3.4Å; D199-R202 PolarHBondContact O-N 3.47Å; D199-Q203 WeakPolarHBondContact O-CB 3.32Å; D199-Q203 VanDerWaalsContact O-CG 3.25Å; D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 3.43Å
200I98.3Very high98.2Very high52 Ų5258 Ų5827%0.26731%0.306SS..Hα-helixtrans-69.1-42.9175.2-64.6177.5000110.8L194 N197 I198 R202 Q203 R204L194-I200 HydrophobicContact CD1-CB 4.24Å; L194-I200 HydrophobicContact CD1-CG2 3.66Å; L194-I200 HydrophobicContact CD2-CB 4.37Å; L194-I200 HydrophobicContact CD2-CD1 4.21Å; L194-I200 HydrophobicContact CD2-CG2 3.78Å; L194-I200 HydrophobicContact CG-CG2 4.36Å; N197-I200 HydrophobicContact CB-CD1 4.34Å; N197-I200 WeakPolarHBondContact ND2-CD1 3.27Å; N197-I200 PolarHBondContact O-N 2.91Å; N197-I200 VanDerWaalsContact O-N 3.17Å; N197-I200 WeakPolarHBondContact OD1-CG1 3.14Å; N197-I200 PolarHBondContact OD1-N 3.36Å; I198-I200 PolarHBondContact O-N 2.82Å; I200-R202 VanDerWaalsContact C-N 3.28Å; I200-R202 PolarHBondContact O-N 2.91Å; I200-Q203 PolarHBondContact O-N 2.98Å; I200-R204 HydrophobicContact CG2-CG 4.18Å; I200-R204 WeakPolarHBondContact O-CB 3.5Å; I200-R204 VanDerWaalsContact O-CG 3.29Å; I200-R204 WeakPolarHBondContact O-CG 3.22Å; I200-R204 PolarHBondContact O-N 3.02Å
201Y98.6Very high98.3Very high5 Ų554.2 Ų54.22%0.0229%0.291CS..Hα-helixtrans-56.7-46.1173.6-73.6-78.1000110.8D154 V183 L194 N197 I198 R204 V205 I241D154-Y201 HydrophobicContact CB-CE1 4.46Å; D154-Y201 WeakPolarHBondContact CB-OH 3.44Å; V183-Y201 HydrophobicContact CG1-CD2 4.02Å; V183-Y201 HydrophobicContact CG1-CE2 3.43Å; V183-Y201 VanDerWaalsContact CG1-CE2 3.43Å; V183-Y201 HydrophobicContact CG2-CD2 4.28Å; V183-Y201 HydrophobicContact CG2-CE2 4.27Å; V183-Y201 HydrophobicContact CG2-CG 4.43Å; L194-Y201 HydrophobicContact CB-CD2 4.31Å; L194-Y201 HydrophobicContact CB-CE1 4.47Å; L194-Y201 HydrophobicContact CB-CE2 3.54Å; L194-Y201 HydrophobicContact CD1-CD1 4Å; L194-Y201 HydrophobicContact CD1-CD2 4.15Å; L194-Y201 HydrophobicContact CD1-CE1 3.83Å; L194-Y201 HydrophobicContact CD1-CE2 4Å; L194-Y201 HydrophobicContact CD1-CG 4.16Å; L194-Y201 HydrophobicContact CG-CE2 4.41Å; N197-Y201 VanDerWaalsContact O-CD2 3.28Å; N197-Y201 WeakPolarHBondContact O-CD2 3.05Å; N197-Y201 PolarHBondContact O-N 3.33Å; I198-Y201 PolarHBondContact O-N 3.38Å; Y201-R204 PolarHBondContact O-N 3.17Å; Y201-V205 WeakPolarHBondContact O-CG2 3.03Å; Y201-V205 PolarHBondContact O-N 3.32Å; Y201-I241 HydrophobicContact CG-CG2 4.46Å
202R98.6Very high98.3Very high93 Ų9353.1 Ų53.135%0.35128%0.28SS..Hα-helixtrans-56.6-56.2176.6178.5-174.7-176.811916.4111.7I198 D199 I200 R204 V205 E206 V212I198-R202 WeakPolarHBondContact O-CB 3.42Å; I198-R202 PolarHBondContact O-N 2.95Å; D199-R202 WeakPolarHBondContact O-CB 3.4Å; D199-R202 PolarHBondContact O-N 3.47Å; I200-R202 VanDerWaalsContact C-N 3.28Å; I200-R202 PolarHBondContact O-N 2.91Å; R202-R204 VanDerWaalsContact C-N 3.3Å; R202-R204 PolarHBondContact O-N 3.16Å; R202-V205 PolarHBondContact O-N 3.36Å; R202-V205 VanDerWaalsContact O-N 3.16Å; R202-E206 HydrophobicContact CG-CG 4.18Å; R202-E206 IonicContact CZ-OE1 3.41Å; R202-E206 IonicContact NE-OE1 3.6Å; R202-E206 PolarHBondContact NE-OE1 3.18Å; R202-E206 IonicContact NE-OE2 3.29Å; R202-E206 PolarHBondContact NE-OE2 3.34Å; R202-E206 IonicContact NH2-OE1 2.78Å; R202-E206 PolarHBondContact NH2-OE1 3.38Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 WeakPolarHBondContact O-CG 3.25Å; R202-E206 PolarHBondContact O-N 3.04Å; R202-V212 HydrophobicContact CB-CG1 4.24Å; R202-V212 HydrophobicContact CG-CB 4.26Å; R202-V212 HydrophobicContact CG-CG1 3.91Å
203Q98.5Very high98.4Very high126 Ų12654.2 Ų54.259%0.58929%0.286SS*.Hα-helixtrans-57.4-44.5-177.7-73.6170.427.900111.7D199 I200 V205 S207D199-Q203 WeakPolarHBondContact O-CB 3.32Å; D199-Q203 VanDerWaalsContact O-CG 3.25Å; D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 3.43Å; I200-Q203 PolarHBondContact O-N 2.98Å; Q203-V205 PolarHBondContact O-N 2.8Å; Q203-S207 PolarHBondContact O-N 2.99Å
204R98.4Very high98.4Very high109 Ų10951.2 Ų51.241%0.41127%0.267SS..Hα-helixtrans-64.6-38.2178.9-71.9-176.8178.9-168.9-1112.5W163 I200 Y201 R202 S207 F208W163-R204 HydrophobicContact CH2-CB 3.51Å; W163-R204 HydrophobicContact CH2-CG 4.11Å; W163-R204 HydrophobicContact CZ3-CB 3.67Å; W163-R204 HydrophobicContact CZ3-CG 4.49Å; I200-R204 HydrophobicContact CG2-CG 4.18Å; I200-R204 WeakPolarHBondContact O-CB 3.5Å; I200-R204 VanDerWaalsContact O-CG 3.29Å; I200-R204 WeakPolarHBondContact O-CG 3.22Å; I200-R204 PolarHBondContact O-N 3.02Å; Y201-R204 PolarHBondContact O-N 3.17Å; R202-R204 VanDerWaalsContact C-N 3.3Å; R202-R204 PolarHBondContact O-N 3.16Å; R204-S207 PolarHBondContact O-OG 3.5Å; R204-F208 WeakPolarHBondContact O-CD2 2.99Å
205V98.6Very high98.5Very high1 Ų150.8 Ų50.81%0.00627%0.265CS..Hα-helixtrans-78.9-38.3-179.8177.70000111.2L166 F181 Y201 R202 Q203 S207 F208 W210 V212 A239 I241L166-V205 HydrophobicContact CD1-CG2 4.27Å; L166-V205 HydrophobicContact CD2-CG1 4.3Å; F181-V205 HydrophobicContact CE2-CG2 4.16Å; F181-V205 HydrophobicContact CZ-CG2 4.1Å; Y201-V205 WeakPolarHBondContact O-CG2 3.03Å; Y201-V205 PolarHBondContact O-N 3.32Å; R202-V205 PolarHBondContact O-N 3.36Å; R202-V205 VanDerWaalsContact O-N 3.16Å; Q203-V205 PolarHBondContact O-N 2.8Å; V205-S207 VanDerWaalsContact C-N 3.27Å; V205-S207 PolarHBondContact O-N 3.42Å; V205-F208 PolarHBondContact O-N 3.27Å; V205-F208 VanDerWaalsContact O-N 3.14Å; V205-W210 HydrophobicContact CG1-CB 3.7Å; V205-W210 HydrophobicContact CG1-CD2 4.29Å; V205-W210 HydrophobicContact CG1-CG 3.91Å; V205-V212 HydrophobicContact CB-CG2 3.94Å; V205-V212 HydrophobicContact CG1-CG2 3.7Å; V205-A239 HydrophobicContact CG1-CB 3.56Å; V205-I241 HydrophobicContact CG2-CD1 4.32Å
206E98.4Very high98.5Very high75 Ų7554.3 Ų54.335%0.3528%0.281SS..Hα-helixtrans-59.4-36.8174.2-74.2179.3155.500111.7R202 F208 G209 V212R202-E206 HydrophobicContact CG-CG 4.18Å; R202-E206 IonicContact CZ-OE1 3.41Å; R202-E206 IonicContact NE-OE1 3.6Å; R202-E206 PolarHBondContact NE-OE1 3.18Å; R202-E206 IonicContact NE-OE2 3.29Å; R202-E206 PolarHBondContact NE-OE2 3.34Å; R202-E206 IonicContact NH2-OE1 2.78Å; R202-E206 PolarHBondContact NH2-OE1 3.38Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 WeakPolarHBondContact O-CG 3.25Å; R202-E206 PolarHBondContact O-N 3.04Å; E206-F208 PolarHBondContact O-N 2.85Å; E206-F208 VanDerWaalsContact O-N 3.15Å; E206-G209 PolarHBondContact O-N 3.35Å; E206-V212 HydrophobicContact CB-CG2 4.4Å; E206-V212 HydrophobicContact CG-CB 3.81Å; E206-V212 HydrophobicContact CG-CG2 3.44Å; E206-V212 VanDerWaalsContact CG-CG2 3.44Å
207S98.4Very high98.5Very high90 Ų9052.2 Ų52.263%0.62927%0.271SS*.THydrogen-bonded Turntrans-66-14.8179.1730000114.2Q203 R204 V205Q203-S207 PolarHBondContact O-N 2.99Å; R204-S207 PolarHBondContact O-OG 3.5Å; V205-S207 VanDerWaalsContact C-N 3.27Å; V205-S207 PolarHBondContact O-N 3.42Å
208F98.6Very high98.5Very high64 Ų6449.9 Ų49.928%0.28126%0.258SS..THydrogen-bonded Turntrans-96.713174.4-75-104.4000112.8W163 L166 H167 R204 V205 E206W163-F208 HydrophobicContact CB-CE1 4.4Å; W163-F208 HydrophobicContact CB-CZ 4.26Å; W163-F208 HydrophobicContact CE3-CD2 4.11Å; W163-F208 AromaticContact CE3-CE2 3.49Å; W163-F208 HydrophobicContact CE3-CE2 3.49Å; W163-F208 VanDerWaalsContact CE3-CE2 3.49Å; W163-F208 AromaticContact CE3-CZ 3.73Å; W163-F208 HydrophobicContact CE3-CZ 3.73Å; W163-F208 HydrophobicContact CZ3-CD2 4.29Å; W163-F208 AromaticContact CZ3-CE2 3.9Å; W163-F208 HydrophobicContact CZ3-CE2 3.9Å; W163-F208 WeakPolarHBondContact O-CE1 3.38Å; L166-F208 HydrophobicContact CB-CB 4.1Å; L166-F208 HydrophobicContact CB-CD1 4.1Å; L166-F208 HydrophobicContact CB-CG 4.15Å; H167-F208 HydrophobicContact CB-CD1 3.73Å; H167-F208 HydrophobicContact CB-CE1 3.96Å; R204-F208 WeakPolarHBondContact O-CD2 2.99Å; V205-F208 PolarHBondContact O-N 3.27Å; V205-F208 VanDerWaalsContact O-N 3.14Å; E206-F208 PolarHBondContact O-N 2.85Å; E206-F208 VanDerWaalsContact O-N 3.15Å
209G98.3Very high98.5Very high32 Ų3251.6 Ų51.633%0.3327%0.267SS..THydrogen-bonded Turntrans86.715.7173.100000115.5E206E206-G209 PolarHBondContact O-N 3.35Å
210W98.8Very high98.5Very high8 Ų846.6 Ų46.63%0.0324%0.241CC..  trans-89.2152.1-179.4-72.560.8000112.5L128 L166 A169 L177 A179 V205 V212 P237 T238 A239L128-W210 HydrophobicContact CD1-CH2 4.31Å; L166-W210 HydrophobicContact CD2-CD2 3.92Å; L166-W210 HydrophobicContact CD2-CE3 4.44Å; L166-W210 HydrophobicContact CD2-CG 4.47Å; L166-W210 HydrophobicContact CD2-CH2 4.06Å; L166-W210 HydrophobicContact CD2-CZ2 3.46Å; L166-W210 VanDerWaalsContact CD2-CZ2 3.46Å; L166-W210 PolarHBondContact O-NE1 2.89Å; A169-W210 HydrophobicContact CB-CH2 4.21Å; A169-W210 HydrophobicContact CB-CZ2 3.4Å; L177-W210 HydrophobicContact CD2-CH2 3.68Å; L177-W210 HydrophobicContact CD2-CZ2 4.2Å; L177-W210 HydrophobicContact CG-CH2 4.05Å; A179-W210 HydrophobicContact CB-CH2 3.85Å; A179-W210 HydrophobicContact CB-CZ3 3.59Å; V205-W210 HydrophobicContact CG1-CB 3.7Å; V205-W210 HydrophobicContact CG1-CD2 4.29Å; V205-W210 HydrophobicContact CG1-CG 3.91Å; W210-V212 HydrophobicContact CB-CG2 4.38Å; W210-P237 HydrophobicContact CB-CG 4.46Å; W210-P237 HydrophobicContact CD2-CB 3.69Å; W210-P237 HydrophobicContact CD2-CG 3.34Å; W210-P237 HydrophobicContact CE3-CB 3.59Å; W210-P237 HydrophobicContact CE3-CG 3.8Å; W210-P237 HydrophobicContact CG-CB 4.44Å; W210-P237 HydrophobicContact CG-CG 3.65Å; W210-P237 HydrophobicContact CH2-CB 3.74Å; W210-P237 HydrophobicContact CH2-CG 4.26Å; W210-P237 HydrophobicContact CZ2-CB 3.82Å; W210-P237 HydrophobicContact CZ2-CG 3.84Å; W210-P237 HydrophobicContact CZ3-CB 3.61Å; W210-P237 HydrophobicContact CZ3-CG 4.23Å; W210-T238 VanDerWaalsContact CE3-C 3.43Å; W210-T238 WeakPolarHBondContact CZ3-O 3.48Å; W210-A239 HydrophobicContact CE3-CB 3.84Å; W210-A239 HydrophobicContact CZ3-CB 4.37Å
211N98.7Very high98.5Very high50 Ų5046.3 Ų46.327%0.26724%0.241SC..EExtended strand (participates in β ladder)trans-80.3130.1160.3171.675.3000109.1V233 P237 T238 A239N211-V233 HydrophobicContact CB-CG1 3.82Å; N211-V233 HydrophobicContact CB-CG2 4.27Å; N211-P237 PolarHBondContact N-O 3.16Å; N211-T238 WeakPolarHBondContact ND2-CG2 3.45Å; N211-T238 PolarHBondContact ND2-OG1 3Å; N211-T238 CarbonylContact O-C 3.54Å; N211-T238 VanDerWaalsContact O-CA 3.29Å; N211-T238 WeakPolarHBondContact O-CA 3.24Å; N211-A239 PolarHBondContact O-N 3.24Å
212V98.8Very high98.5Very high8 Ų847.1 Ų47.15%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-120130.1-175.7-174.90000111.9R202 V205 E206 W210 A239 I241R202-V212 HydrophobicContact CB-CG1 4.24Å; R202-V212 HydrophobicContact CG-CB 4.26Å; R202-V212 HydrophobicContact CG-CG1 3.91Å; V205-V212 HydrophobicContact CB-CG2 3.94Å; V205-V212 HydrophobicContact CG1-CG2 3.7Å; E206-V212 HydrophobicContact CB-CG2 4.4Å; E206-V212 HydrophobicContact CG-CB 3.81Å; E206-V212 HydrophobicContact CG-CG2 3.44Å; E206-V212 VanDerWaalsContact CG-CG2 3.44Å; W210-V212 HydrophobicContact CB-CG2 4.38Å; V212-A239 WeakPolarHBondContact CA-O 3.4Å; V212-A239 HydrophobicContact CG2-CB 4.34Å; V212-I241 HydrophobicContact CG1-CD1 4.27Å; V212-I241 HydrophobicContact CG1-CG1 3.51Å
213I98.6Very high98.5Very high27 Ų2742.7 Ų42.714%0.13823%0.233CC..EExtended strand (participates in β ladder)trans-123.2112.4177.3-49.2175.3000108.4V215 S226 L229 T238 A239 V240 I241I213-V215 HydrophobicContact CG2-CG1 4Å; I213-S226 WeakPolarHBondContact CD1-O 3.39Å; I213-L229 HydrophobicContact CD1-CB 3.77Å; I213-L229 HydrophobicContact CD1-CD1 4.42Å; I213-T238 HydrophobicContact CD1-CG2 4.07Å; I213-T238 HydrophobicContact CG1-CG2 4.36Å; I213-A239 PolarHBondContact N-O 3.46Å; I213-V240 CarbonylContact O-C 3.11Å; I213-V240 WeakPolarHBondContact O-CA 3.33Å; I213-I241 PolarHBondContact O-N 3.13Å
214C98.6Very high98.4Very high45 Ų4537 Ų3730%0.30421%0.207SC..EExtended strand (participates in β ladder)trans-89.5132.7175-53.40000109.9I198 I241I198-C214 HydrophobicContact CG2-CB 3.75Å; C214-I241 WeakPolarHBondContact CA-O 3.3Å
215V98.6Very high98.4Very high20 Ų2039.6 Ų39.612%0.12122%0.217CC..EExtended strand (participates in β ladder)trans-140.7159.8-177.9-62.20000111.7I213 G217 A222 L223 V240 I241 A242 K243I213-V215 HydrophobicContact CG2-CG1 4Å; V215-G217 PolarHBondContact O-N 2.68Å; V215-A222 HydrophobicContact CB-CB 4.22Å; V215-A222 HydrophobicContact CG1-CB 4.33Å; V215-L223 HydrophobicContact CG2-CD2 4.06Å; V215-V240 HydrophobicContact CG2-CG1 3.66Å; V215-I241 PolarHBondContact N-O 3.46Å; V215-A242 HydrophobicContact CG2-CB 4.16Å; V215-K243 PolarHBondContact O-N 2.96Å
216D98.6Very high98.4Very high88 Ų8839.6 Ų39.647%0.47122%0.217SC..EExtended strand (participates in β ladder)trans-69.3115.7156.5-176.5-15.8000108H218 D219D216-H218 PolarHBondContact O-N 3.24Å; D216-H218 PolarHBondContact OD1-N 2.97Å; D216-D219 HydrophobicContact CB-CB 4.01Å; D216-D219 PolarHBondContact O-N 3.34Å
217G98.7Very high98.4Very high0 Ų036 Ų360%020%0.2CC..THydrogen-bonded Turntrans-72.1-6.2-178.200000114.3E45 V215 L223 K243E45-G217 WeakPolarHBondContact CB-O 3Å; V215-G217 PolarHBondContact O-N 2.68Å; G217-L223 WeakPolarHBondContact O-CD1 3.39Å; G217-K243 PolarHBondContact N-O 3.07Å
218H98.7Very high98.3Very high22 Ų2235.5 Ų35.510%0.10219%0.188CC..THydrogen-bonded Turntrans-106.22.2173.7-58.7-48.7000113.1S42 E45 D216 T244 F245 R248S42-H218 PolarHBondContact O-CE1 2.88Å; E45-H218 IonicContact OE2-CE1 3.18Å; E45-H218 IonicContact OE2-CG 2.82Å; E45-H218 IonicContact OE2-ND1 2.71Å; E45-H218 PolarHBondContact OE2-ND1 2.91Å; D216-H218 PolarHBondContact O-N 3.24Å; D216-H218 PolarHBondContact OD1-N 2.97Å; H218-T244 WeakPolarHBondContact NE2-CA 3.49Å; H218-F245 AromaticContact CD2-CD2 3.99Å; H218-F245 PolarHBondContact NE2-N 2.95Å; H218-R248 VanDerWaalsContact CE1-CG 3.46Å; H218-R248 WeakPolarHBondContact CE1-CG 3.33Å
219D98.4Very high98.2Very high63 Ų6335.5 Ų35.534%0.33719%0.19SC..  trans-94.8101.8170.1-178.7-9000109.9D216 T221 A222 L223D216-D219 HydrophobicContact CB-CB 4.01Å; D216-D219 PolarHBondContact O-N 3.34Å; D219-T221 PolarHBondContact O-N 2.79Å; D219-T221 WeakPolarHBondContact OD1-CA 3.43Å; D219-T221 WeakPolarHBondContact OD1-CB 3.33Å; D219-T221 PolarHBondContact OD1-N 2.78Å; D219-A222 HydrophobicContact CB-CB 3.78Å; D219-A222 PolarHBondContact O-N 3.42Å; D219-A222 PolarHBondContact OD1-N 3.37Å; D219-A222 VanDerWaalsContact OD1-N 3.09Å; D219-L223 PolarHBondContact O-N 3.37Å
220V98Very high98.2Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-58.8-30.7178-63.90000112.6E11 L14 K15 E45 V49 C224E11-V220 HydrophobicContact CG-CG2 3.6Å; L14-V220 HydrophobicContact CB-CB 4.36Å; L14-V220 HydrophobicContact CB-CG1 4.25Å; K15-V220 HydrophobicContact CD-CG2 4.32Å; K15-V220 HydrophobicContact CG-CG1 4.06Å; K15-V220 HydrophobicContact CG-CG2 3.78Å; E45-V220 HydrophobicContact CB-CG1 4.05Å; E45-V220 HydrophobicContact CG-CG1 3.77Å; V49-V220 HydrophobicContact CG2-CB 3.99Å; V49-V220 HydrophobicContact CG2-CG1 4.13Å; V220-C224 WeakPolarHBondContact O-CB 3.25Å; V220-C224 PolarHBondContact O-N 3.22Å; V220-C224 PolarHBondContact O-SG 3.27Å
221T97.8Very high98Very high46 Ų4638.5 Ų38.528%0.28219%0.192SC..Hα-helixtrans-75.2-40.5179.7-67.20000110.2E11 D219 C224 R225E11-T221 WeakPolarHBondContact CG-OG1 3.42Å; E11-T221 PolarHBondContact OE2-OG1 3.43Å; E11-T221 VanDerWaalsContact OE2-OG1 3.05Å; D219-T221 PolarHBondContact O-N 2.79Å; D219-T221 WeakPolarHBondContact OD1-CA 3.43Å; D219-T221 WeakPolarHBondContact OD1-CB 3.33Å; D219-T221 PolarHBondContact OD1-N 2.78Å; T221-C224 PolarHBondContact O-N 3.25Å; T221-R225 WeakPolarHBondContact O-CB 3.36Å; T221-R225 PolarHBondContact O-N 3.17Å
222A97.9Very high98Very high23 Ų2339.5 Ų39.519%0.1920%0.2CC..Hα-helixtrans-62.7-41.9172.300000112.1V215 D219 R225 S226V215-A222 HydrophobicContact CB-CB 4.22Å; V215-A222 HydrophobicContact CG1-CB 4.33Å; D219-A222 HydrophobicContact CB-CB 3.78Å; D219-A222 PolarHBondContact O-N 3.42Å; D219-A222 PolarHBondContact OD1-N 3.37Å; D219-A222 VanDerWaalsContact OD1-N 3.09Å; A222-R225 PolarHBondContact O-N 2.64Å; A222-S226 WeakPolarHBondContact O-CB 3.41Å; A222-S226 PolarHBondContact O-N 3.02Å
223L98.5Very high97.9Very high0 Ų040.4 Ų40.40%021%0.205CC..Hα-helixtrans-64-48174.9-74.2169.5000112.5E45 I46 V49 V215 G217 D219 R225 S226 F227E45-L223 HydrophobicContact CB-CD1 3.76Å; I46-L223 HydrophobicContact CG1-CD1 4.13Å; I46-L223 HydrophobicContact CG1-CD2 4.05Å; V49-L223 HydrophobicContact CB-CB 4.28Å; V49-L223 HydrophobicContact CG1-CB 4.11Å; V49-L223 HydrophobicContact CG2-CB 4.01Å; V49-L223 HydrophobicContact CG2-CD1 4.22Å; V215-L223 HydrophobicContact CG2-CD2 4.06Å; G217-L223 WeakPolarHBondContact O-CD1 3.39Å; D219-L223 PolarHBondContact O-N 3.37Å; L223-R225 VanDerWaalsContact C-N 3.26Å; L223-R225 PolarHBondContact O-N 3.32Å; L223-S226 PolarHBondContact O-N 3.01Å; L223-S226 PolarHBondContact O-OG 3.17Å; L223-F227 HydrophobicContact CB-CE2 4.27Å; L223-F227 HydrophobicContact CD2-CE2 4.4Å; L223-F227 HydrophobicContact CD2-CZ 4.42Å; L223-F227 WeakPolarHBondContact O-CD2 3.37Å; L223-F227 PolarHBondContact O-N 2.75Å; L223-F227 VanDerWaalsContact O-N 3.08Å
224C97.9Very high97.8Very high7 Ų745.2 Ų45.25%0.04723%0.225CC..Hα-helixtrans-56.1-44.8175.8-69.80000111L6 V220 T221 Q228L6-C224 HydrophobicContact CD2-CB 4.45Å; V220-C224 WeakPolarHBondContact O-CB 3.25Å; V220-C224 PolarHBondContact O-N 3.22Å; V220-C224 PolarHBondContact O-SG 3.27Å; T221-C224 PolarHBondContact O-N 3.25Å; C224-Q228 WeakPolarHBondContact O-CB 3.29Å; C224-Q228 PolarHBondContact O-N 3.21Å
225R97.5Very high97.8Very high163 Ų16349.3 Ų49.362%0.61524%0.239SC*.Hα-helixtrans-65.5-40.7178.5-176.8178.4176.4175.2-1.2112.3T221 A222 L223 Q228 L229T221-R225 WeakPolarHBondContact O-CB 3.36Å; T221-R225 PolarHBondContact O-N 3.17Å; A222-R225 PolarHBondContact O-N 2.64Å; L223-R225 VanDerWaalsContact C-N 3.26Å; L223-R225 PolarHBondContact O-N 3.32Å; R225-Q228 PolarHBondContact O-N 3.4Å; R225-L229 HydrophobicContact CG-CD1 3.91Å; R225-L229 HydrophobicContact CG-CG 4.49Å; R225-L229 WeakPolarHBondContact O-CB 3.45Å; R225-L229 WeakPolarHBondContact O-CD1 3.5Å; R225-L229 VanDerWaalsContact O-CG 3.3Å; R225-L229 WeakPolarHBondContact O-CG 3.41Å; R225-L229 PolarHBondContact O-N 3.01Å
226S98.1Very high97.7Very high1 Ų153.4 Ų53.41%0.00726%0.255CS..Hα-helixtrans-65.2-41.3-179.372.20000111.5I213 A222 L223 L229 A230I213-S226 WeakPolarHBondContact CD1-O 3.39Å; A222-S226 WeakPolarHBondContact O-CB 3.41Å; A222-S226 PolarHBondContact O-N 3.02Å; L223-S226 PolarHBondContact O-N 3.01Å; L223-S226 PolarHBondContact O-OG 3.17Å; S226-L229 WeakPolarHBondContact O-CB 3.47Å; S226-L229 PolarHBondContact O-N 3.46Å; S226-A230 WeakPolarHBondContact O-CB 3.46Å; S226-A230 PolarHBondContact O-N 2.86Å
227F98.1Very high97.8Very high0 Ų049.2 Ų49.20%023%0.233CC..Hα-helixtrans-69.7-38.7175.6-59.9-50.4000112.5V49 L50 E54 F149 V178 I180 L223 L229 A230 R231 V240V49-F227 HydrophobicContact CB-CE2 4.26Å; V49-F227 HydrophobicContact CG1-CD2 3.62Å; V49-F227 HydrophobicContact CG1-CE2 3.67Å; L50-F227 HydrophobicContact CD1-CZ 4.44Å; L50-F227 HydrophobicContact CD2-CD1 4.28Å; L50-F227 HydrophobicContact CD2-CD2 4.24Å; L50-F227 HydrophobicContact CD2-CE1 3.78Å; L50-F227 HydrophobicContact CD2-CE2 3.73Å; L50-F227 HydrophobicContact CD2-CZ 3.48Å; L50-F227 VanDerWaalsContact CD2-CZ 3.48Å; L50-F227 HydrophobicContact CG-CE2 3.98Å; L50-F227 HydrophobicContact CG-CZ 3.81Å; E54-F227 HydrophobicContact CB-CB 4.28Å; E54-F227 HydrophobicContact CB-CD2 4.16Å; E54-F227 HydrophobicContact CB-CG 4.39Å; E54-F227 HydrophobicContact CG-CB 3.65Å; E54-F227 HydrophobicContact CG-CD2 4.21Å; E54-F227 HydrophobicContact CG-CG 3.93Å; E54-F227 VanDerWaalsContact OE2-CB 3.28Å; E54-F227 WeakPolarHBondContact OE2-CB 3.3Å; F149-F227 HydrophobicContact CE1-CD1 4.38Å; V178-F227 HydrophobicContact CG1-CD1 4.26Å; V178-F227 HydrophobicContact CG1-CE1 4.22Å; I180-F227 HydrophobicContact CD1-CE1 4.24Å; I180-F227 HydrophobicContact CG1-CE1 3.79Å; I180-F227 HydrophobicContact CG1-CZ 4.08Å; L223-F227 HydrophobicContact CB-CE2 4.27Å; L223-F227 HydrophobicContact CD2-CE2 4.4Å; L223-F227 HydrophobicContact CD2-CZ 4.42Å; L223-F227 WeakPolarHBondContact O-CD2 3.37Å; L223-F227 PolarHBondContact O-N 2.75Å; L223-F227 VanDerWaalsContact O-N 3.08Å; F227-L229 VanDerWaalsContact C-N 3.34Å; F227-L229 PolarHBondContact O-N 2.9Å; F227-A230 WeakPolarHBondContact O-CB 3.25Å; F227-A230 PolarHBondContact O-N 3.36Å; F227-A230 VanDerWaalsContact O-N 3.17Å; F227-R231 WeakPolarHBondContact O-CG 3.27Å; F227-R231 PolarHBondContact O-N 3.2Å; F227-R231 VanDerWaalsContact O-N 3.08Å; F227-V240 HydrophobicContact CD1-CG2 4.28Å; F227-V240 HydrophobicContact CE1-CG2 4.05Å
228Q96.6Very high97.8Very high79 Ų7949.3 Ų49.337%0.36923%0.234SC..Hα-helixtrans-57.9-45.7171.2-175.1-176.410.900111.8C224 R225 A230 R231C224-Q228 WeakPolarHBondContact O-CB 3.29Å; C224-Q228 PolarHBondContact O-N 3.21Å; R225-Q228 PolarHBondContact O-N 3.4Å; Q228-A230 VanDerWaalsContact C-N 3.35Å; Q228-R231 WeakPolarHBondContact O-CB 3.34Å; Q228-R231 PolarHBondContact O-N 2.96Å
229L97.1Very high97.8Very high64 Ų6448.2 Ų48.234%0.33523%0.229SC..Hα-helixtrans-60.4-44.9174.8-75.7158.2000110.9I213 R225 S226 F227 R231 T232 V233I213-L229 HydrophobicContact CD1-CB 3.77Å; I213-L229 HydrophobicContact CD1-CD1 4.42Å; R225-L229 HydrophobicContact CG-CD1 3.91Å; R225-L229 HydrophobicContact CG-CG 4.49Å; R225-L229 WeakPolarHBondContact O-CB 3.45Å; R225-L229 WeakPolarHBondContact O-CD1 3.5Å; R225-L229 VanDerWaalsContact O-CG 3.3Å; R225-L229 WeakPolarHBondContact O-CG 3.41Å; R225-L229 PolarHBondContact O-N 3.01Å; S226-L229 WeakPolarHBondContact O-CB 3.47Å; S226-L229 PolarHBondContact O-N 3.46Å; F227-L229 VanDerWaalsContact C-N 3.34Å; F227-L229 PolarHBondContact O-N 2.9Å; L229-R231 PolarHBondContact O-N 3.44Å; L229-R231 VanDerWaalsContact O-N 3.16Å; L229-T232 PolarHBondContact O-N 2.85Å; L229-T232 PolarHBondContact O-OG1 3.24Å; L229-V233 PolarHBondContact O-N 2.82Å
230A97.9Very high97.8Very high0 Ų045.2 Ų45.20%021%0.213CC..Hα-helixtrans-60.1-22.9177.400000113.7R147 V178 S226 F227 Q228 T232 T238R147-A230 PolarHBondContact NH1-O 2.78Å; R147-A230 VanDerWaalsContact NH2-C 3.29Å; R147-A230 PolarHBondContact NH2-O 3.26Å; V178-A230 HydrophobicContact CG2-CB 4.15Å; S226-A230 WeakPolarHBondContact O-CB 3.46Å; S226-A230 PolarHBondContact O-N 2.86Å; F227-A230 WeakPolarHBondContact O-CB 3.25Å; F227-A230 PolarHBondContact O-N 3.36Å; F227-A230 VanDerWaalsContact O-N 3.17Å; Q228-A230 VanDerWaalsContact C-N 3.35Å; A230-T232 VanDerWaalsContact C-N 3.34Å; A230-T238 HydrophobicContact CB-CG2 3.62Å
231R95.9Very high97.8Very high103 Ų10345.2 Ų45.239%0.38921%0.213SC..Hα-helixtrans-70.5-30.5171.4-65.1174.7-174.4174.10.5113.1E54 F227 Q228 L229E54-R231 VanDerWaalsContact CD-NE 3.32Å; E54-R231 PolarHBondContact O-NH2 2.54Å; E54-R231 VanDerWaalsContact O-NH2 3.11Å; E54-R231 IonicContact OE1-CZ 3.22Å; E54-R231 IonicContact OE1-NE 3.12Å; E54-R231 PolarHBondContact OE1-NE 3Å; E54-R231 IonicContact OE1-NH2 3.54Å; E54-R231 PolarHBondContact OE1-NH2 3.1Å; E54-R231 IonicContact OE2-CZ 3.46Å; E54-R231 IonicContact OE2-NE 2.85Å; E54-R231 PolarHBondContact OE2-NE 2.91Å; E54-R231 IonicContact OE2-NH2 3.7Å; E54-R231 PolarHBondContact OE2-NH2 3.38Å; F227-R231 WeakPolarHBondContact O-CG 3.27Å; F227-R231 PolarHBondContact O-N 3.2Å; F227-R231 VanDerWaalsContact O-N 3.08Å; Q228-R231 WeakPolarHBondContact O-CB 3.34Å; Q228-R231 PolarHBondContact O-N 2.96Å; L229-R231 PolarHBondContact O-N 3.44Å; L229-R231 VanDerWaalsContact O-N 3.16Å
232T96.9Very high97.9Very high71 Ų7143 Ų4344%0.43620%0.199SC..Hα-helixtrans-86.9-19.9-175.569.60000113.3M1 L229 A230M1-T232 HydrophobicContact CE-CG2 4.49Å; L229-T232 PolarHBondContact O-N 2.85Å; L229-T232 PolarHBondContact O-OG1 3.24Å; A230-T232 VanDerWaalsContact C-N 3.34Å
233V97.5Very high97.9Very high27 Ų2746 Ų4616%0.16421%0.208CC..  trans-70.1131.3175.8179.70000109.3N211 L229 K236N211-V233 HydrophobicContact CB-CG1 3.82Å; N211-V233 HydrophobicContact CB-CG2 4.27Å; L229-V233 PolarHBondContact O-N 2.82Å; V233-K236 HydrophobicContact CG1-CB 4.16Å
234K97.3Very high97.9Very high128 Ų12846 Ų4656%0.55721%0.208SC*.  trans-120.8153.6176.9-59.8-60.3178.1-168.10110.1D175 K236D175-K234 WeakPolarHBondContact OD2-CA 3.42Å; K234-K236 PolarHBondContact O-N 3.4Å; K234-K236 VanDerWaalsContact O-N 3.08Å
235H97.1Very high98Very high130 Ų13048.4 Ų48.460%0.60222%0.217SC*.SBendtrans60.312177.8-49.9-72.6000116.1H173 D175H173-H235 WeakPolarHBondContact CB-O 3.26Å; H173-H235 PolarHBondContact ND1-O 3.34Å; H173-H235 VanDerWaalsContact ND1-O 3.09Å; D175-H235 PolarHBondContact OD2-N 2.96Å
236K98.3Very high98Very high106 Ų10641.1 Ų41.146%0.46119%0.19SC..SBendtrans-144.5137.2173.5-63.6-174178.7-173.50110.3D175 V233 K234D175-K236 VanDerWaalsContact CA-O 3.28Å; D175-K236 WeakPolarHBondContact CA-O 3.42Å; D175-K236 WeakPolarHBondContact CB-O 3.24Å; V233-K236 HydrophobicContact CG1-CB 4.16Å; K234-K236 PolarHBondContact O-N 3.4Å; K234-K236 VanDerWaalsContact O-N 3.08Å
237P98.8Very high98.1Very high0 Ų041.1 Ų41.10%019%0.19CC..  trans-63156164.932.9-38.8000110.5A169 L174 L177 W210 N211A169-P237 HydrophobicContact CB-CB 4.3Å; A169-P237 HydrophobicContact CB-CG 4.13Å; L174-P237 WeakPolarHBondContact O-CA 3.33Å; L174-P237 VanDerWaalsContact O-CB 3.32Å; L174-P237 WeakPolarHBondContact O-CB 3.46Å; L177-P237 HydrophobicContact CB-CB 4.39Å; W210-P237 HydrophobicContact CB-CG 4.46Å; W210-P237 HydrophobicContact CD2-CB 3.69Å; W210-P237 HydrophobicContact CD2-CG 3.34Å; W210-P237 HydrophobicContact CE3-CB 3.59Å; W210-P237 HydrophobicContact CE3-CG 3.8Å; W210-P237 HydrophobicContact CG-CB 4.44Å; W210-P237 HydrophobicContact CG-CG 3.65Å; W210-P237 HydrophobicContact CH2-CB 3.74Å; W210-P237 HydrophobicContact CH2-CG 4.26Å; W210-P237 HydrophobicContact CZ2-CB 3.82Å; W210-P237 HydrophobicContact CZ2-CG 3.84Å; W210-P237 HydrophobicContact CZ3-CB 3.61Å; W210-P237 HydrophobicContact CZ3-CG 4.23Å; N211-P237 PolarHBondContact N-O 3.16Å
238T98.9Very high98.1Very high2 Ų245.4 Ų45.41%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-115.6132.4-179.9-66.10000112.1L177 V178 A179 W210 N211 I213 A230L177-T238 PolarHBondContact O-N 2.9Å; L177-T238 VanDerWaalsContact O-N 3.08Å; V178-T238 CarbonylContact C-O 3.5Å; V178-T238 VanDerWaalsContact CA-O 3.23Å; V178-T238 WeakPolarHBondContact CA-O 3.2Å; A179-T238 PolarHBondContact N-O 3.22Å; W210-T238 VanDerWaalsContact CE3-C 3.43Å; W210-T238 WeakPolarHBondContact CZ3-O 3.48Å; N211-T238 WeakPolarHBondContact ND2-CG2 3.45Å; N211-T238 PolarHBondContact ND2-OG1 3Å; N211-T238 CarbonylContact O-C 3.54Å; N211-T238 VanDerWaalsContact O-CA 3.29Å; N211-T238 WeakPolarHBondContact O-CA 3.24Å; I213-T238 HydrophobicContact CD1-CG2 4.07Å; I213-T238 HydrophobicContact CG1-CG2 4.36Å; A230-T238 HydrophobicContact CB-CG2 3.62Å
239A98.9Very high98.1Very high0 Ų042.6 Ų42.60%020%0.199CC..EExtended strand (participates in β ladder)trans-107.9129.6170.400000110.3A179 F181 V205 W210 N211 V212 I213 I241A179-A239 CarbonylContact O-C 3.41Å; A179-A239 VanDerWaalsContact O-CA 3.25Å; A179-A239 WeakPolarHBondContact O-CA 3.47Å; F181-A239 HydrophobicContact CD2-CB 4.38Å; F181-A239 HydrophobicContact CE2-CB 4.14Å; V205-A239 HydrophobicContact CG1-CB 3.56Å; W210-A239 HydrophobicContact CE3-CB 3.84Å; W210-A239 HydrophobicContact CZ3-CB 4.37Å; N211-A239 PolarHBondContact O-N 3.24Å; V212-A239 WeakPolarHBondContact CA-O 3.4Å; V212-A239 HydrophobicContact CG2-CB 4.34Å; I213-A239 PolarHBondContact N-O 3.46Å; A239-I241 HydrophobicContact CB-CD1 4.21Å
240V98.8Very high98.2Very high0 Ų039.7 Ų39.70%018%0.183CC..EExtended strand (participates in β ladder)trans-100110.7168.4-179.80000107.5V178 A179 I180 F181 I213 V215 F227 A242V178-V240 HydrophobicContact CG1-CG2 4.2Å; A179-V240 PolarHBondContact O-N 3.14Å; I180-V240 WeakPolarHBondContact CA-O 3.47Å; I180-V240 HydrophobicContact CG1-CB 4.36Å; I180-V240 HydrophobicContact CG2-CB 4.38Å; F181-V240 PolarHBondContact N-O 3.14Å; I213-V240 CarbonylContact O-C 3.11Å; I213-V240 WeakPolarHBondContact O-CA 3.33Å; V215-V240 HydrophobicContact CG2-CG1 3.66Å; F227-V240 HydrophobicContact CD1-CG2 4.28Å; F227-V240 HydrophobicContact CE1-CG2 4.05Å; V240-A242 PolarHBondContact O-N 3.34Å
241I98.8Very high98Very high0 Ų042.1 Ų42.10%020%0.199CC..EExtended strand (participates in β ladder)trans-91.296.7176.1-47.1-57.5000107.2F181 V183 I198 Y201 V205 V212 I213 C214 V215 A239F181-I241 HydrophobicContact CB-CD1 3.99Å; F181-I241 HydrophobicContact CD2-CD1 3.48Å; F181-I241 VanDerWaalsContact CD2-CD1 3.48Å; F181-I241 HydrophobicContact CE2-CD1 4.16Å; F181-I241 HydrophobicContact CG-CD1 3.86Å; V183-I241 HydrophobicContact CG2-CG2 3.75Å; I198-I241 HydrophobicContact CD1-CG2 4.19Å; I198-I241 HydrophobicContact CG2-CG2 4.03Å; Y201-I241 HydrophobicContact CG-CG2 4.46Å; V205-I241 HydrophobicContact CG2-CD1 4.32Å; V212-I241 HydrophobicContact CG1-CD1 4.27Å; V212-I241 HydrophobicContact CG1-CG1 3.51Å; I213-I241 PolarHBondContact O-N 3.13Å; C214-I241 WeakPolarHBondContact CA-O 3.3Å; V215-I241 PolarHBondContact N-O 3.46Å; A239-I241 HydrophobicContact CB-CD1 4.21Å
242A98.9Very high97.9Very high0 Ų044.7 Ų44.70%022%0.221CC..EExtended strand (participates in β ladder)trans-93.2110.2-175.500000109.5I46 I180 F181 V183 V215 V240 T244I46-A242 HydrophobicContact CD1-CB 3.93Å; I180-A242 HydrophobicContact CG2-CB 4.43Å; F181-A242 PolarHBondContact O-N 3.27Å; V183-A242 WeakPolarHBondContact CB-O 3.35Å; V183-A242 PolarHBondContact N-O 3.35Å; V215-A242 HydrophobicContact CG2-CB 4.16Å; V240-A242 PolarHBondContact O-N 3.34Å; A242-T244 HydrophobicContact CB-CG2 4.3Å; A242-T244 PolarHBondContact O-N 3.18Å
243K98.9Very high97.9Very high86 Ų8641.4 Ų41.437%0.37420%0.201SC..EExtended strand (participates in β ladder)trans-72.9117.8170-175.7-178.6174.3-177.50108.5I198 V215 G217I198-K243 HydrophobicContact CD1-CB 3.78Å; I198-K243 HydrophobicContact CD1-CG 4.14Å; I198-K243 HydrophobicContact CG1-CB 4.11Å; I198-K243 HydrophobicContact CG1-CD 4.26Å; I198-K243 HydrophobicContact CG1-CG 4.34Å; V215-K243 PolarHBondContact O-N 2.96Å; G217-K243 PolarHBondContact N-O 3.07Å
244T98.9Very high98Very high0 Ų043 Ų430%021%0.206CC..  trans-131.1-179.2-176.455.20000110.1S42 I46 D182 V183 N184 H196 H218 A242S42-T244 WeakPolarHBondContact O-CG2 3.27Å; I46-T244 HydrophobicContact CD1-CG2 4.39Å; D182-T244 WeakPolarHBondContact OD1-CB 3.32Å; D182-T244 WeakPolarHBondContact OD1-CG2 3.06Å; D182-T244 PolarHBondContact OD1-OG1 3.46Å; V183-T244 VanDerWaalsContact C-OG1 3.32Å; V183-T244 PolarHBondContact O-N 3.32Å; V183-T244 PolarHBondContact O-OG1 3.25Å; N184-T244 VanDerWaalsContact CA-OG1 3.26Å; N184-T244 WeakPolarHBondContact CA-OG1 3.37Å; N184-T244 VanDerWaalsContact CB-OG1 3.25Å; N184-T244 WeakPolarHBondContact CB-OG1 3.42Å; N184-T244 PolarHBondContact N-OG1 3.26Å; H196-T244 PolarHBondContact CE1-O 2.95Å; H196-T244 PolarHBondContact NE2-O 3.38Å; H218-T244 WeakPolarHBondContact NE2-CA 3.49Å; A242-T244 HydrophobicContact CB-CG2 4.3Å; A242-T244 PolarHBondContact O-N 3.18Å
245F98.8Very high98Very high56 Ų5639.4 Ų39.425%0.24619%0.193CC..  trans-128.1130.3172-63.5-87.7000110S42 H196 H218 G247 R248 E254 D255S42-F245 WeakPolarHBondContact CB-O 3.25Å; H196-F245 AromaticContact CE1-CD1 3.73Å; H196-F245 AromaticContact CE1-CE1 3.55Å; H218-F245 AromaticContact CD2-CD2 3.99Å; H218-F245 PolarHBondContact NE2-N 2.95Å; F245-G247 PolarHBondContact O-N 3.18Å; F245-R248 WeakPolarHBondContact O-CB 3.44Å; F245-R248 PolarHBondContact O-N 3.24Å; F245-R248 VanDerWaalsContact O-N 3.08Å; F245-E254 HydrophobicContact CB-CG 3.86Å; F245-D255 HydrophobicContact CD1-CB 4Å
246K98.7Very high98Very high11 Ų1134.7 Ų34.75%0.04818%0.176CC..THydrogen-bonded Turntrans-65.1130.4179.1-158.7165-169.31640108.9S39 N184 L186 A187 E254 D255 H260S39-K246 WeakPolarHBondContact OG-CE 3.49Å; N184-K246 HydrophobicContact CB-CB 4.07Å; L186-K246 HydrophobicContact CB-CB 4.28Å; L186-K246 HydrophobicContact CB-CD 3.55Å; L186-K246 HydrophobicContact CD1-CB 4.17Å; L186-K246 HydrophobicContact CD1-CD 4.31Å; L186-K246 PolarHBondContact O-NZ 2.75Å; A187-K246 PolarHBondContact O-NZ 2.82Å; K246-E254 CarbonylContact O-C 3.49Å; K246-E254 WeakPolarHBondContact O-CA 3.25Å; K246-D255 PolarHBondContact O-N 3.28Å; K246-H260 PolarHBondContact NZ-ND1 2.63Å; K246-H260 VanDerWaalsContact NZ-ND1 3.18Å
247G98.4Very high97.9Very high0 Ų033.9 Ų33.90%017%0.174CC..THydrogen-bonded Turntrans76.217.4-174.300000115.2T38 F245 G249 I250T38-G247 PolarHBondContact O-N 3.46Å; F245-G247 PolarHBondContact O-N 3.18Å; G247-G249 PolarHBondContact O-N 3.14Å; G247-I250 WeakPolarHBondContact O-CB 3.33Å; G247-I250 WeakPolarHBondContact O-CG1 3.33Å; G247-I250 PolarHBondContact O-N 2.77Å
248R98.6Very high97.8Very high91 Ų9139 Ų3934%0.34320%0.201SC..THydrogen-bonded Turntrans-41.7125.5178.9178.965.1175.5165.9-0.5113.3R22 C41 H218 F245 E254R22-R248 WeakPolarHBondContact CD-O 3.17Å; R22-R248 PolarHBondContact NE-O 2.75Å; R22-R248 VanDerWaalsContact NH2-CG 3.28Å; C41-R248 WeakPolarHBondContact CB-O 3.29Å; H218-R248 VanDerWaalsContact CE1-CG 3.46Å; H218-R248 WeakPolarHBondContact CE1-CG 3.33Å; F245-R248 WeakPolarHBondContact O-CB 3.44Å; F245-R248 PolarHBondContact O-N 3.24Å; F245-R248 VanDerWaalsContact O-N 3.08Å; R248-E254 WeakPolarHBondContact CA-OE2 3.48Å; R248-E254 VanDerWaalsContact CD-OE1 3.29Å; R248-E254 WeakPolarHBondContact CD-OE1 3.25Å; R248-E254 WeakPolarHBondContact CD-OE2 3.34Å; R248-E254 IonicContact CZ-OE1 3.38Å; R248-E254 IonicContact NE-OE1 3.58Å; R248-E254 IonicContact NH1-OE1 2.73Å; R248-E254 PolarHBondContact NH1-OE1 3.4Å; R248-E254 IonicContact NH1-OE2 3.18Å
249G97.2Very high97.7Very high20 Ų2042.4 Ų42.421%0.20621%0.214CC..THydrogen-bonded Turntrans87.8-1.9178.200000114.7G247 P251 E254 I275G247-G249 PolarHBondContact O-N 3.14Å; G249-P251 WeakPolarHBondContact O-CD 3.05Å; G249-E254 PolarHBondContact N-OE2 3.26Å; G249-I275 VanDerWaalsContact O-CG1 3.27Å; G249-I275 WeakPolarHBondContact O-CG1 3.31Å
250I97.9Very high97.7Very high2 Ų243.9 Ų43.91%0.0122%0.221CC..  trans-99.7110.7176.3-55.1166000108.4I26 T38 C41 G247 V253 E254 L264 A271 I275I26-I250 HydrophobicContact CD1-CD1 4.2Å; I26-I250 HydrophobicContact CD1-CG1 4.14Å; T38-I250 HydrophobicContact CG2-CD1 4.47Å; C41-I250 HydrophobicContact CB-CD1 4.46Å; G247-I250 WeakPolarHBondContact O-CB 3.33Å; G247-I250 WeakPolarHBondContact O-CG1 3.33Å; G247-I250 PolarHBondContact O-N 2.77Å; I250-V253 HydrophobicContact CB-CB 3.95Å; I250-V253 HydrophobicContact CB-CG1 4.4Å; I250-V253 HydrophobicContact CG2-CB 3.54Å; I250-V253 HydrophobicContact CG2-CG1 4.16Å; I250-V253 HydrophobicContact CG2-CG2 3.66Å; I250-V253 PolarHBondContact O-N 3.19Å; I250-E254 PolarHBondContact O-N 2.75Å; I250-L264 HydrophobicContact CD1-CD1 3.96Å; I250-L264 HydrophobicContact CD1-CD2 4.31Å; I250-L264 HydrophobicContact CG1-CD1 4.35Å; I250-L264 HydrophobicContact CG2-CD1 3.96Å; I250-L264 HydrophobicContact CG2-CD2 4.3Å; I250-A271 HydrophobicContact CG2-CB 3.85Å; I250-I275 HydrophobicContact CG1-CD1 4.39Å
251P95.1Very high97.6Very high51 Ų5145.3 Ų45.333%0.33124%0.236SC..THydrogen-bonded Turntrans-54.5141.9178-22.731.6000112.1G249 V253 E274G249-P251 WeakPolarHBondContact O-CD 3.05Å; P251-V253 PolarHBondContact O-N 2.78Å; P251-E274 HydrophobicContact CG-CB 4.13Å; P251-E274 HydrophobicContact CG-CG 3.9Å
252D93.1Very high97.5Very high158 Ų15850.1 Ų50.185%0.84526%0.257SS*.THydrogen-bonded Turntrans59.9-0.3-179.8-50.7-46.1000116.3
253V97.8Very high97.4Very high2 Ų251.8 Ų51.81%0.01227%0.267CS..THydrogen-bonded Turntrans-115.3-29.5178.71770000111.6T38 I250 P251 D255 A256 W259 L264 I267T38-V253 HydrophobicContact CG2-CG1 3.55Å; I250-V253 HydrophobicContact CB-CB 3.95Å; I250-V253 HydrophobicContact CB-CG1 4.4Å; I250-V253 HydrophobicContact CG2-CB 3.54Å; I250-V253 HydrophobicContact CG2-CG1 4.16Å; I250-V253 HydrophobicContact CG2-CG2 3.66Å; I250-V253 PolarHBondContact O-N 3.19Å; P251-V253 PolarHBondContact O-N 2.78Å; V253-D255 PolarHBondContact O-N 2.78Å; V253-A256 VanDerWaalsContact O-CB 3.32Å; V253-A256 WeakPolarHBondContact O-CB 3.25Å; V253-A256 PolarHBondContact O-N 3.42Å; V253-W259 HydrophobicContact CG1-CB 3.99Å; V253-W259 HydrophobicContact CG1-CD2 3.86Å; V253-W259 HydrophobicContact CG1-CE3 4.34Å; V253-W259 HydrophobicContact CG1-CG 3.7Å; V253-W259 HydrophobicContact CG2-CD2 4.07Å; V253-W259 HydrophobicContact CG2-CE3 4.44Å; V253-W259 HydrophobicContact CG2-CH2 4.23Å; V253-W259 HydrophobicContact CG2-CZ2 3.82Å; V253-L264 HydrophobicContact CG1-CD2 4.5Å; V253-L264 HydrophobicContact CG2-CD2 4.48Å; V253-I267 HydrophobicContact CG2-CD1 3.7Å
254E98.3Very high97.4Very high59 Ų5948 Ų4828%0.27625%0.251SS..THydrogen-bonded Turntrans-56.1127.4176.3-177.1170.9154.100111.3F245 K246 R248 G249 I250 A256F245-E254 HydrophobicContact CB-CG 3.86Å; K246-E254 CarbonylContact O-C 3.49Å; K246-E254 WeakPolarHBondContact O-CA 3.25Å; R248-E254 WeakPolarHBondContact CA-OE2 3.48Å; R248-E254 VanDerWaalsContact CD-OE1 3.29Å; R248-E254 WeakPolarHBondContact CD-OE1 3.25Å; R248-E254 WeakPolarHBondContact CD-OE2 3.34Å; R248-E254 IonicContact CZ-OE1 3.38Å; R248-E254 IonicContact NE-OE1 3.58Å; R248-E254 IonicContact NH1-OE1 2.73Å; R248-E254 PolarHBondContact NH1-OE1 3.4Å; R248-E254 IonicContact NH1-OE2 3.18Å; G249-E254 PolarHBondContact N-OE2 3.26Å; I250-E254 PolarHBondContact O-N 2.75Å; E254-A256 PolarHBondContact O-N 2.68Å; E254-A256 VanDerWaalsContact O-N 3.13Å
255D98.3Very high97.3Very high53 Ų5349.9 Ų49.928%0.28327%0.271SS..THydrogen-bonded Turntrans61.210.5-176.1-155.626.7000115.1R185 F245 K246 V253R185-D255 IonicContact CZ-OD1 2.86Å; R185-D255 VanDerWaalsContact CZ-OD1 3.28Å; R185-D255 IonicContact NE-OD1 3.93Å; R185-D255 PolarHBondContact NE-OD1 3.4Å; R185-D255 IonicContact NE-OD2 3.28Å; R185-D255 PolarHBondContact NH2-O 3.18Å; R185-D255 IonicContact NH2-OD1 3.95Å; R185-D255 PolarHBondContact NH2-OD1 3.24Å; R185-D255 IonicContact NH2-OD2 3.54Å; F245-D255 HydrophobicContact CD1-CB 4Å; K246-D255 PolarHBondContact O-N 3.28Å; V253-D255 PolarHBondContact O-N 2.78Å
256A97.6Very high97.2Very high31 Ų3153.1 Ų53.126%0.25630%0.301SS..  trans-86.3140.5178.500000112.3L186 V253 E254L186-A256 VanDerWaalsContact CD1-O 3.24Å; L186-A256 WeakPolarHBondContact CD1-O 3.48Å; V253-A256 VanDerWaalsContact O-CB 3.32Å; V253-A256 WeakPolarHBondContact O-CB 3.25Å; V253-A256 PolarHBondContact O-N 3.42Å; E254-A256 PolarHBondContact O-N 2.68Å; E254-A256 VanDerWaalsContact O-N 3.13Å
257E96.2Very high97.1Very high89 Ų8955.5 Ų55.542%0.41631%0.313SS..THydrogen-bonded Turntrans-70.8171.8170.7-67.9-173.6-178.400111.7R185 L186 W259R185-E257 IonicContact NH1-OE1 2.68Å; L186-E257 HydrophobicContact CD1-CG 4.39Å; L186-E257 HydrophobicContact CD2-CG 3.73Å; E257-W259 PolarHBondContact O-N 2.71Å
258N95.3Very high97Very high107 Ų10755.7 Ų55.757%0.57232%0.315SS*.THydrogen-bonded Turntrans63.515.7176.8-63.9-52.7000116.3K262N258-K262 VanDerWaalsContact O-CD 3.25Å; N258-K262 WeakPolarHBondContact O-CD 3.05Å; N258-K262 WeakPolarHBondContact O-CE 3.18Å; N258-K262 PolarHBondContact O-NZ 2.7Å
259W97.9Very high97Very high74 Ų7459 Ų5928%0.2833%0.334SS..  trans-112.75.9176.6-73.3104000115.1T38 V253 E257 K262 L264 I267T38-W259 HydrophobicContact CG2-CB 3.88Å; T38-W259 PolarHBondContact OG1-O 3.22Å; V253-W259 HydrophobicContact CG1-CB 3.99Å; V253-W259 HydrophobicContact CG1-CD2 3.86Å; V253-W259 HydrophobicContact CG1-CE3 4.34Å; V253-W259 HydrophobicContact CG1-CG 3.7Å; V253-W259 HydrophobicContact CG2-CD2 4.07Å; V253-W259 HydrophobicContact CG2-CE3 4.44Å; V253-W259 HydrophobicContact CG2-CH2 4.23Å; V253-W259 HydrophobicContact CG2-CZ2 3.82Å; E257-W259 PolarHBondContact O-N 2.71Å; W259-K262 HydrophobicContact CE3-CB 4.39Å; W259-L264 HydrophobicContact CE3-CD2 4.29Å; W259-L264 HydrophobicContact CZ3-CD2 4.14Å; W259-I267 HydrophobicContact CH2-CD1 3.67Å; W259-I267 HydrophobicContact CZ2-CD1 4.22Å; W259-I267 HydrophobicContact CZ3-CD1 4.26Å
260H97.6Very high97Very high31 Ų3162.4 Ų62.414%0.14435%0.347CS..THydrogen-bonded Turntrans-71.7136171.9-177.483.6000110.7H36 S39 H76 K246 K262H36-H260 AromaticContact CD2-CE1 3.87Å; H36-H260 AromaticContact CD2-NE2 3.72Å; S39-H260 PolarHBondContact OG-ND1 3.29Å; H76-H260 AromaticContact CD2-CE1 3.74Å; H76-H260 AromaticContact NE2-CE1 3.73Å; K246-H260 PolarHBondContact NZ-ND1 2.63Å; K246-H260 VanDerWaalsContact NZ-ND1 3.18Å; H260-K262 PolarHBondContact O-N 2.96Å
261G97Very high97Very high30 Ų3062.3 Ų62.331%0.30935%0.347SS..THydrogen-bonded Turntrans6816.217700000115.2G35 H36G35-G261 CarbonylContact O-C 3.58Å; G35-G261 WeakPolarHBondContact O-CA 3.33Å; H36-G261 WeakPolarHBondContact CD2-CA 3.29Å
262K97.4Very high97.1Very high102 Ų10261.7 Ų61.744%0.44334%0.34SS..  trans-113.7124.4179.1-62.9-174-172.7170.20110.7G35 P37 N258 W259 H260G35-K262 PolarHBondContact O-N 2.79Å; P37-K262 VanDerWaalsContact CD-O 3.29Å; P37-K262 WeakPolarHBondContact CD-O 3.19Å; P37-K262 VanDerWaalsContact CG-O 3.25Å; P37-K262 WeakPolarHBondContact CG-O 3.16Å; N258-K262 VanDerWaalsContact O-CD 3.25Å; N258-K262 WeakPolarHBondContact O-CD 3.05Å; N258-K262 WeakPolarHBondContact O-CE 3.18Å; N258-K262 PolarHBondContact O-NZ 2.7Å; W259-K262 HydrophobicContact CE3-CB 4.39Å; H260-K262 PolarHBondContact O-N 2.96Å
263P97.5Very high97.3Very high34 Ų3456.9 Ų56.922%0.22132%0.319CS..  trans-62.4157.9164.632.5-37.3000109.4G265P263-G265 VanDerWaalsContact C-N 3.28Å; P263-G265 PolarHBondContact O-N 2.85Å
264L97.8Very high97.3Very high6 Ų659.9 Ų59.93%0.03133%0.333CS..  trans-75.8-17.5-176.5-67.8-171.2000113I26 N30 P37 I250 V253 W259 S266 I267 A268 A271I26-L264 HydrophobicContact CB-CD1 4.48Å; I26-L264 HydrophobicContact CD1-CD1 3.96Å; I26-L264 HydrophobicContact CG1-CD1 3.88Å; I26-L264 HydrophobicContact CG2-CD1 3.79Å; I26-L264 HydrophobicContact CG2-CG 4.45Å; N30-L264 PolarHBondContact OD1-N 3.28Å; P37-L264 HydrophobicContact CG-CD2 4.49Å; P37-L264 HydrophobicContact CG-CG 4.29Å; I250-L264 HydrophobicContact CD1-CD1 3.96Å; I250-L264 HydrophobicContact CD1-CD2 4.31Å; I250-L264 HydrophobicContact CG1-CD1 4.35Å; I250-L264 HydrophobicContact CG2-CD1 3.96Å; I250-L264 HydrophobicContact CG2-CD2 4.3Å; V253-L264 HydrophobicContact CG1-CD2 4.5Å; V253-L264 HydrophobicContact CG2-CD2 4.48Å; W259-L264 HydrophobicContact CE3-CD2 4.29Å; W259-L264 HydrophobicContact CZ3-CD2 4.14Å; L264-S266 PolarHBondContact O-N 3.39Å; L264-I267 HydrophobicContact CB-CG1 4.07Å; L264-I267 HydrophobicContact CD2-CD1 4.34Å; L264-I267 WeakPolarHBondContact O-CG1 3.39Å; L264-I267 PolarHBondContact O-N 2.98Å; L264-A268 HydrophobicContact CB-CB 3.79Å; L264-A271 HydrophobicContact CD1-CB 3.75Å
265G96.7Very high97.3Very high41 Ų4157 Ų5742%0.42332%0.32SS..G310 helixtrans56.4-126.7178.500000111.5N30 P263 I267 A268N30-G265 PolarHBondContact ND2-N 3.11Å; N30-G265 PolarHBondContact ND2-O 2.9Å; N30-G265 PolarHBondContact OD1-N 3.48Å; P263-G265 VanDerWaalsContact C-N 3.28Å; P263-G265 PolarHBondContact O-N 2.85Å; G265-I267 VanDerWaalsContact C-N 3.28Å; G265-I267 PolarHBondContact O-N 3.18Å; G265-A268 VanDerWaalsContact O-CB 3.31Å; G265-A268 WeakPolarHBondContact O-CB 3.4Å; G265-A268 PolarHBondContact O-N 3.2Å
266S96.2Very high97.2Very high123 Ų12357.2 Ų57.286%0.8633%0.325SS*.G310 helixtrans-64.5-23.5-175.653.80000115L264 A268L264-S266 PolarHBondContact O-N 3.39Å; S266-A268 VanDerWaalsContact C-N 3.34Å
267I96.8Very high97.1Very high62 Ų6262.3 Ų62.332%0.31834%0.341SS..G310 helixtrans-87.8-2.8-179.764.5165.2000113.3V253 W259 L264 G265 E269 N270 A271V253-I267 HydrophobicContact CG2-CD1 3.7Å; W259-I267 HydrophobicContact CH2-CD1 3.67Å; W259-I267 HydrophobicContact CZ2-CD1 4.22Å; W259-I267 HydrophobicContact CZ3-CD1 4.26Å; L264-I267 HydrophobicContact CB-CG1 4.07Å; L264-I267 HydrophobicContact CD2-CD1 4.34Å; L264-I267 WeakPolarHBondContact O-CG1 3.39Å; L264-I267 PolarHBondContact O-N 2.98Å; G265-I267 VanDerWaalsContact C-N 3.28Å; G265-I267 PolarHBondContact O-N 3.18Å; I267-E269 PolarHBondContact O-N 3.13Å; I267-N270 PolarHBondContact O-N 3.21Å; I267-A271 WeakPolarHBondContact O-CB 3.41Å; I267-A271 PolarHBondContact O-N 3.43Å
268A97.6Very high97.1Very high3 Ų362.8 Ų62.83%0.02535%0.346CS..Hα-helixtrans-64-41-174.200000113.9I26 N30 L264 G265 S266 N270 A271 M272I26-A268 HydrophobicContact CG2-CB 3.89Å; N30-A268 VanDerWaalsContact CG-CB 3.49Å; N30-A268 WeakPolarHBondContact ND2-CB 3.28Å; L264-A268 HydrophobicContact CB-CB 3.79Å; G265-A268 VanDerWaalsContact O-CB 3.31Å; G265-A268 WeakPolarHBondContact O-CB 3.4Å; G265-A268 PolarHBondContact O-N 3.2Å; S266-A268 VanDerWaalsContact C-N 3.34Å; A268-N270 VanDerWaalsContact C-N 3.35Å; A268-A271 PolarHBondContact O-N 3.09Å; A268-M272 HydrophobicContact CB-CE 4.39Å; A268-M272 WeakPolarHBondContact O-CB 3.45Å; A268-M272 WeakPolarHBondContact O-CE 3.45Å; A268-M272 WeakPolarHBondContact O-CG 3.44Å; A268-M272 PolarHBondContact O-N 2.85Å
269E97Very high97.2Very high162 Ų16258.9 Ų58.976%0.75733%0.325SS*.Hα-helixtrans-61.9-44.9178.8-69.2-177.817800111.2I267 M272 S273I267-E269 PolarHBondContact O-N 3.13Å; E269-M272 PolarHBondContact O-N 3.35Å; E269-S273 WeakPolarHBondContact O-CB 3.44Å; E269-S273 PolarHBondContact O-N 3.26Å
270N97.2Very high97Very high90 Ų9062.5 Ų62.548%0.48134%0.343SS..Hα-helixtrans-61.9-48175.7-173.858.7000111.3I267 A268 M272 S273 E274I267-N270 PolarHBondContact O-N 3.21Å; A268-N270 VanDerWaalsContact C-N 3.35Å; N270-M272 PolarHBondContact O-N 3.12Å; N270-S273 WeakPolarHBondContact O-CB 3.45Å; N270-S273 PolarHBondContact O-N 3.03Å; N270-E274 PolarHBondContact O-N 3.06Å
271A97.8Very high96.6Very high1 Ų164.1 Ų64.11%0.00835%0.352CS..Hα-helixtrans-58-47.2177.400000112.4I26 I250 L264 I267 A268 S273 E274 I275I26-A271 HydrophobicContact CD1-CB 4.44Å; I250-A271 HydrophobicContact CG2-CB 3.85Å; L264-A271 HydrophobicContact CD1-CB 3.75Å; I267-A271 WeakPolarHBondContact O-CB 3.41Å; I267-A271 PolarHBondContact O-N 3.43Å; A268-A271 PolarHBondContact O-N 3.09Å; A271-S273 VanDerWaalsContact C-N 3.32Å; A271-S273 PolarHBondContact O-N 3.45Å; A271-E274 PolarHBondContact O-N 2.71Å; A271-I275 WeakPolarHBondContact O-CD1 3.48Å; A271-I275 VanDerWaalsContact O-CG1 3.24Å; A271-I275 WeakPolarHBondContact O-CG1 3.34Å; A271-I275 PolarHBondContact O-N 3.17Å
272M97.8Very high95.7Very high37 Ų3768.9 Ų68.918%0.18238%0.375CS..Hα-helixtrans-64.5-36.5177.3-71.4-174.9-67.300112.1I23 I26 R27 A268 E269 N270 S276I23-M272 HydrophobicContact CG1-CG 4.5Å; I23-M272 HydrophobicContact CG2-CG 4.25Å; I23-M272 HydrophobicContact CG2-SD 4.09Å; I26-M272 HydrophobicContact CB-CG 4.15Å; I26-M272 HydrophobicContact CB-SD 4.43Å; I26-M272 HydrophobicContact CD1-CG 4.39Å; I26-M272 HydrophobicContact CG2-CG 3.74Å; I26-M272 HydrophobicContact CG2-SD 3.99Å; R27-M272 HydrophobicContact CB-SD 4.14Å; A268-M272 HydrophobicContact CB-CE 4.39Å; A268-M272 WeakPolarHBondContact O-CB 3.45Å; A268-M272 WeakPolarHBondContact O-CE 3.45Å; A268-M272 WeakPolarHBondContact O-CG 3.44Å; A268-M272 PolarHBondContact O-N 2.85Å; E269-M272 PolarHBondContact O-N 3.35Å; N270-M272 PolarHBondContact O-N 3.12Å; M272-S276 VanDerWaalsContact O-CB 3.28Å; M272-S276 WeakPolarHBondContact O-CB 3.33Å; M272-S276 PolarHBondContact O-N 3.38Å; M272-S276 PolarHBondContact O-OG 3.28Å
273S97.6Very high94.6Very high57 Ų5769.1 Ų69.140%0.39939%0.386SS..Hα-helixtrans-63.1-48.5175.2-175.90000111.6E269 N270 A271 I275 S276 K277E269-S273 WeakPolarHBondContact O-CB 3.44Å; E269-S273 PolarHBondContact O-N 3.26Å; N270-S273 WeakPolarHBondContact O-CB 3.45Å; N270-S273 PolarHBondContact O-N 3.03Å; A271-S273 VanDerWaalsContact C-N 3.32Å; A271-S273 PolarHBondContact O-N 3.45Å; S273-I275 PolarHBondContact O-N 3.48Å; S273-S276 WeakPolarHBondContact O-CB 3.3Å; S273-S276 PolarHBondContact O-N 2.73Å; S273-K277 WeakPolarHBondContact O-CG 3.48Å; S273-K277 PolarHBondContact O-N 2.83Å
274E97.6Very high93.9Very high65 Ų6575.7 Ų75.730%0.30441%0.411SS..Hα-helixtrans-62.1-43.1177.2-66.9-49.1133.600112.2P251 N270 A271 S276 K277P251-E274 HydrophobicContact CG-CB 4.13Å; P251-E274 HydrophobicContact CG-CG 3.9Å; N270-E274 PolarHBondContact O-N 3.06Å; A271-E274 PolarHBondContact O-N 2.71Å; E274-S276 VanDerWaalsContact C-N 3.32Å; E274-S276 PolarHBondContact O-N 3.45Å; E274-K277 PolarHBondContact O-N 3.21Å; E274-K277 IonicContact OE1-NZ 2.71Å; E274-K277 PolarHBondContact OE1-NZ 2.96Å; E274-K277 IonicContact OE2-NZ 3.77Å; E274-K277 PolarHBondContact OE2-NZ 2.94Å
275I97.5Very high93.3Very high0 Ų076.2 Ų76.20%041%0.413CS..Hα-helixtrans-64.3-39.1176-65.2163000110.9N19 R22 I23 I26 G249 I250 A271 S273 K277 L278N19-I275 HydrophobicContact CB-CG2 3.68Å; R22-I275 HydrophobicContact CB-CD1 4.05Å; R22-I275 HydrophobicContact CB-CG2 4.31Å; I23-I275 HydrophobicContact CD1-CB 4.46Å; I23-I275 HydrophobicContact CD1-CG2 3.95Å; I23-I275 HydrophobicContact CG1-CB 4.19Å; I23-I275 HydrophobicContact CG1-CG2 3.78Å; I26-I275 HydrophobicContact CD1-CD1 3.61Å; G249-I275 VanDerWaalsContact O-CG1 3.27Å; G249-I275 WeakPolarHBondContact O-CG1 3.31Å; I250-I275 HydrophobicContact CG1-CD1 4.39Å; A271-I275 WeakPolarHBondContact O-CD1 3.48Å; A271-I275 VanDerWaalsContact O-CG1 3.24Å; A271-I275 WeakPolarHBondContact O-CG1 3.34Å; A271-I275 PolarHBondContact O-N 3.17Å; S273-I275 PolarHBondContact O-N 3.48Å; I275-K277 VanDerWaalsContact C-N 3.26Å; I275-K277 PolarHBondContact O-N 3.25Å; I275-L278 WeakPolarHBondContact O-CB 3.45Å; I275-L278 PolarHBondContact O-N 2.74Å
276S96.9Very high92.9Very high57 Ų5783.2 Ų83.240%0.39943%0.432SS..Hα-helixtrans-62.6-32.7179.7-62.80000112.4I23 M272 S273 E274 L278 I279I23-S276 WeakPolarHBondContact CD1-OG 3.48Å; M272-S276 VanDerWaalsContact O-CB 3.28Å; M272-S276 WeakPolarHBondContact O-CB 3.33Å; M272-S276 PolarHBondContact O-N 3.38Å; M272-S276 PolarHBondContact O-OG 3.28Å; S273-S276 WeakPolarHBondContact O-CB 3.3Å; S273-S276 PolarHBondContact O-N 2.73Å; E274-S276 VanDerWaalsContact C-N 3.32Å; E274-S276 PolarHBondContact O-N 3.45Å; S276-L278 PolarHBondContact O-N 3.18Å; S276-I279 WeakPolarHBondContact O-CB 3.44Å; S276-I279 PolarHBondContact O-N 3.24Å; S276-I279 VanDerWaalsContact O-N 3.16Å
277K96.8Very high92.8Very high137 Ų13778.6 Ų78.660%0.59640%0.397SS*.THydrogen-bonded Turntrans-64.3-20.4175.5-65.6169.8-169.3171.90113.3S273 E274 I275S273-K277 WeakPolarHBondContact O-CG 3.48Å; S273-K277 PolarHBondContact O-N 2.83Å; E274-K277 PolarHBondContact O-N 3.21Å; E274-K277 IonicContact OE1-NZ 2.71Å; E274-K277 PolarHBondContact OE1-NZ 2.96Å; E274-K277 IonicContact OE2-NZ 3.77Å; E274-K277 PolarHBondContact OE2-NZ 2.94Å; I275-K277 VanDerWaalsContact C-N 3.26Å; I275-K277 PolarHBondContact O-N 3.25Å
278L95.7Very high92.6Very high99 Ų9979.6 Ų79.652%0.51841%0.41SS..THydrogen-bonded Turntrans-82.9-15.3178.1-56.5176.1000112.9N19 I275 S276 K280N19-L278 WeakPolarHBondContact ND2-CB 3.39Å; I275-L278 WeakPolarHBondContact O-CB 3.45Å; I275-L278 PolarHBondContact O-N 2.74Å; S276-L278 PolarHBondContact O-N 3.18Å; L278-K280 PolarHBondContact O-N 3.4Å
279I96.4Very high92.4Very high26 Ų2680.2 Ų80.213%0.13341%0.412CS..  trans-79118.5179.4-62.8174.4000109D16 N19 K20 I23 S276 N281D16-I279 HydrophobicContact CB-CG2 4.11Å; D16-I279 WeakPolarHBondContact OD1-CA 3.42Å; N19-I279 HydrophobicContact CB-CD1 4.12Å; N19-I279 HydrophobicContact CB-CG1 3.71Å; K20-I279 HydrophobicContact CG-CD1 3.95Å; I23-I279 HydrophobicContact CD1-CD1 3.87Å; S276-I279 WeakPolarHBondContact O-CB 3.44Å; S276-I279 PolarHBondContact O-N 3.24Å; S276-I279 VanDerWaalsContact O-N 3.16Å; I279-N281 WeakPolarHBondContact CG2-O 3.36Å
280K94.8Very high92.3Very high150 Ų15075.7 Ų75.765%0.65239%0.394SS*.SBendtrans-88.3-35.3178.9-63.3-167.3-167.7156.10112.6Q12 D16 L278Q12-K280 VanDerWaalsContact CD-CD 3.46Å; Q12-K280 HydrophobicContact CG-CB 4.05Å; Q12-K280 HydrophobicContact CG-CD 4.03Å; Q12-K280 HydrophobicContact CG-CG 4.35Å; Q12-K280 VanDerWaalsContact OE1-CE 3.27Å; D16-K280 PolarHBondContact OD1-N 2.88Å; D16-K280 PolarHBondContact OD2-N 3Å; L278-K280 PolarHBondContact O-N 3.4Å
281N89.2Confident92.2Very high64 Ų6475.3 Ų75.334%0.34240%0.403SS..  trans-103.396178.3-56.3-68.9000110.3D16 I279 T283D16-N281 VanDerWaalsContact OD2-CB 3.26Å; D16-N281 WeakPolarHBondContact OD2-CB 3.32Å; D16-N281 PolarHBondContact OD2-N 3.46Å; D16-N281 PolarHBondContact OD2-ND2 3.28Å; I279-N281 WeakPolarHBondContact CG2-O 3.36Å; N281-T283 VanDerWaalsContact C-N 3.25Å; N281-T283 PolarHBondContact O-N 3.24Å
282V77.3Confident92.1Very high130 Ų13076.4 Ų76.479%0.78841%0.41SS*.  trans-73.1-20.4-179.1-171.70000112.2
283T75.1Confident92Very high108 Ų10880.9 Ų80.966%0.66343%0.428SS*.SBendtrans-73.2167.6176.3540000111.7K20 N281 H285K20-T283 PolarHBondContact NZ-O 3.3Å; N281-T283 VanDerWaalsContact C-N 3.25Å; N281-T283 PolarHBondContact O-N 3.24Å; T283-H285 PolarHBondContact O-N 3.05Å
284K81.3Confident91.7Very high172 Ų17282.7 Ų82.775%0.74843%0.434SS*.PPolyproline II helixtrans-57128.2172.9-171.3174.9-179.8176.40108.8
285H87Confident91.4Very high17 Ų1783.7 Ų83.78%0.07944%0.441CS..PPolyproline II helixtrans-63.3157.2176.965.784.7000109.9L17 F52 E87 T283 L287L17-H285 VanDerWaalsContact CD2-CD2 3.43Å; L17-H285 WeakPolarHBondContact CD2-CD2 3.45Å; F52-H285 AromaticContact CE1-CE1 3.91Å; E87-H285 PolarHBondContact O-NE2 3.25Å; E87-H285 IonicContact OE2-CD2 3.53Å; E87-H285 PolarHBondContact OE2-CD2 2.79Å; E87-H285 IonicContact OE2-NE2 3.91Å; E87-H285 PolarHBondContact OE2-NE2 3.25Å; E87-H285 VanDerWaalsContact OE2-NE2 3.16Å; T283-H285 PolarHBondContact O-N 3.05Å; H285-L287 PolarHBondContact CE1-O 3.48Å; H285-L287 PolarHBondContact ND1-N 2.86Å; H285-L287 PolarHBondContact ND1-O 3.42Å
286K87.9Confident91.2Very high188 Ų18886.6 Ų86.682%0.81747%0.471SS*.  trans-93.2-7.6178.8-65.4-179.8-177.8175.60113.8E13E13-K286 PolarHBondContact OE1-N 3.19Å
287L92.7Very high91.1Very high26 Ų2688.5 Ų88.514%0.13648%0.48CS..  trans-67.4141.4179.3-55.1-179000111.7K10 E13 L14 L17 F52 H285K10-L287 HydrophobicContact CD-CD2 4.39Å; K10-L287 HydrophobicContact CG-CD2 4.12Å; E13-L287 HydrophobicContact CB-CD1 3.81Å; E13-L287 HydrophobicContact CB-CG 4.19Å; E13-L287 VanDerWaalsContact OE2-CD2 3.26Å; E13-L287 WeakPolarHBondContact OE2-CD2 3.29Å; E13-L287 VanDerWaalsContact OE2-CG 3.29Å; E13-L287 WeakPolarHBondContact OE2-CG 3.46Å; L14-L287 HydrophobicContact CD2-CD1 3.77Å; L14-L287 HydrophobicContact CG-CD1 3.97Å; L17-L287 HydrophobicContact CD1-CB 4.43Å; L17-L287 HydrophobicContact CD1-CD1 3.83Å; F52-L287 HydrophobicContact CB-CB 4.1Å; F52-L287 HydrophobicContact CB-CD1 4.15Å; F52-L287 HydrophobicContact CD1-CB 4.31Å; H285-L287 PolarHBondContact CE1-O 3.48Å; H285-L287 PolarHBondContact ND1-N 2.86Å; H285-L287 PolarHBondContact ND1-O 3.42Å
288S92.5Very high91Very high82 Ų8283 Ų8357%0.57346%0.457SS*.  trans-130.5158.5169.962.40000108.8N290S288-N290 PolarHBondContact O-N 3.3Å
289I94.4Very high90.9Very high16 Ų1682.7 Ų82.78%0.08246%0.463CS..PPolyproline II helixtrans-63.8136.6169.9-49.2178.9000108.2F51 A59 W85 A88F51-I289 HydrophobicContact CD1-CD1 3.87Å; F51-I289 WeakPolarHBondContact O-CG1 3.39Å; A59-I289 HydrophobicContact CB-CD1 4.44Å; W85-I289 HydrophobicContact CH2-CD1 4.39Å; W85-I289 HydrophobicContact CZ3-CD1 4.3Å; A88-I289 HydrophobicContact CB-CD1 3.6Å; A88-I289 HydrophobicContact CB-CG1 4.12Å
290N94.8Very high90.5Very high68 Ų6884.4 Ų84.436%0.36448%0.482SS..BIsolated β-bridgetrans-67.5141.8177.4-62.5-53.8000109.9H53 R56 Y57 S288H53-N290 PolarHBondContact O-ND2 3.45Å; H53-N290 VanDerWaalsContact O-ND2 3.16Å; R56-N290 CarbonylContact C-O 3.54Å; R56-N290 WeakPolarHBondContact CA-O 3.5Å; R56-N290 HydrophobicContact CB-CB 4.46Å; R56-N290 HydrophobicContact CG-CB 3.92Å; Y57-N290 PolarHBondContact N-O 2.97Å; S288-N290 PolarHBondContact O-N 3.3Å
291A95.3Very high90.4Very high82 Ų8278.4 Ų78.468%0.67846%0.457SS*.PPolyproline II helixtrans-69.9144.4174.900000111.5
292P96.1Very high90.6Very high23 Ų2378.7 Ų78.715%0.14946%0.458CS..PPolyproline II helixtrans-69.9156.217529.7-33000111.8R56 N58 Y66 N294R56-P292 HydrophobicContact CB-CB 4.4Å; N58-P292 HydrophobicContact CB-CG 4.37Å; Y66-P292 WeakPolarHBondContact O-CB 3.48Å; P292-N294 PolarHBondContact O-N 3.47Å
293K94.1Very high91.3Very high131 Ų13174.7 Ų74.757%0.5743%0.43SS*.  trans-78.6106.8169.8-175.4-177.2175.5-170.80108.4
294N92.2Very high92Very high96 Ų9674 Ų7451%0.51343%0.429SS..  trans-101.3120.5175.7-177.1-17.8000109.7Y66 P292 G296Y66-N294 HydrophobicContact CD1-CB 4.39Å; Y66-N294 HydrophobicContact CD2-CB 3.87Å; Y66-N294 HydrophobicContact CE2-CB 4.25Å; Y66-N294 WeakPolarHBondContact CE2-OD1 3.42Å; Y66-N294 HydrophobicContact CG-CB 3.95Å; P292-N294 PolarHBondContact O-N 3.47Å; N294-G296 PolarHBondContact OD1-N 3Å
295D92.4Very high92.3Very high85 Ų8572.5 Ų72.546%0.45542%0.423SS..  trans-109.74.6177.862.120.9000113.7Y66 T297Y66-D295 VanDerWaalsContact CE1-OD1 3.27Å; Y66-D295 WeakPolarHBondContact CE1-OD1 3.16Å; D295-T297 VanDerWaalsContact C-N 3.27Å; D295-T297 PolarHBondContact O-N 2.96Å; D295-T297 WeakPolarHBondContact OD1-CB 3.23Å; D295-T297 VanDerWaalsContact OD1-CG2 3.31Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.48Å; D295-T297 PolarHBondContact OD1-N 3.15Å; D295-T297 VanDerWaalsContact OD1-N 3.14Å; D295-T297 PolarHBondContact OD1-OG1 2.9Å
296G92.9Very high92.6Very high62 Ų6272.3 Ų72.364%0.63942%0.422SS*.SBendtrans74.74.6176.500000115.8Y66 N294Y66-G296 WeakPolarHBondContact OH-CA 3.47Å; Y66-G296 PolarHBondContact OH-N 3.3Å; Y66-G296 VanDerWaalsContact OH-N 3.15Å; N294-G296 PolarHBondContact OD1-N 3Å
297T93.3Very high93Very high96 Ų9667.9 Ų67.959%0.58940%0.404SS*.  trans-82.5-22.1-175.462.60000115.6Y66 D295Y66-T297 PolarHBondContact OH-N 3.18Å; D295-T297 VanDerWaalsContact C-N 3.27Å; D295-T297 PolarHBondContact O-N 2.96Å; D295-T297 WeakPolarHBondContact OD1-CB 3.23Å; D295-T297 VanDerWaalsContact OD1-CG2 3.31Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.48Å; D295-T297 PolarHBondContact OD1-N 3.15Å; D295-T297 VanDerWaalsContact OD1-N 3.14Å; D295-T297 PolarHBondContact OD1-OG1 2.9Å
298L95.2Very high93.2Very high22 Ų2267 Ų6712%0.11540%0.4CS..  trans-93129.9-175.8-52.4-176.5000112.2L65 Y66 D142 A144L65-L298 HydrophobicContact CB-CB 4.08Å; L65-L298 HydrophobicContact CB-CD1 4.1Å; L65-L298 HydrophobicContact CD1-CB 4.1Å; L65-L298 WeakPolarHBondContact O-CD1 3.33Å; Y66-L298 HydrophobicContact CD1-CD1 3.87Å; Y66-L298 HydrophobicContact CD1-CG 4.26Å; Y66-L298 HydrophobicContact CE1-CB 4.08Å; Y66-L298 HydrophobicContact CE1-CD1 3.73Å; Y66-L298 HydrophobicContact CE1-CG 3.6Å; Y66-L298 HydrophobicContact CE2-CB 4.32Å; Y66-L298 HydrophobicContact CG-CD1 4.43Å; Y66-L298 PolarHBondContact OH-N 3.45Å; D142-L298 HydrophobicContact CB-CD2 3.76Å; A144-L298 HydrophobicContact CB-CD1 4.03Å
299S92.9Very high93.4Very high92 Ų9265.7 Ų65.764%0.64339%0.39SS*.  trans-130.1150.2168.861.10000111R386S299-R386 VanDerWaalsContact C-NH1 3.32Å; S299-R386 PolarHBondContact O-NH1 3.18Å
300A89.3Confident93.5Very high63 Ų6368.3 Ų68.352%0.52140%0.404SS..  trans-72154.3172.100000111.1
301I93.2Very high93.6Very high24 Ų2467.9 Ų67.912%0.12341%0.405CS..  trans-70.5135.4177.6-64.7166.6000110.8F303 M306 R339 G385 R386 V388I301-F303 HydrophobicContact CB-CD2 4.45Å; I301-F303 HydrophobicContact CB-CE2 4.09Å; I301-F303 HydrophobicContact CB-CZ 4.2Å; I301-F303 HydrophobicContact CD1-CZ 4.48Å; I301-F303 HydrophobicContact CG2-CD1 4.25Å; I301-F303 HydrophobicContact CG2-CD2 4.26Å; I301-F303 HydrophobicContact CG2-CE1 4.27Å; I301-F303 HydrophobicContact CG2-CE2 4.28Å; I301-F303 HydrophobicContact CG2-CG 4.24Å; I301-F303 HydrophobicContact CG2-CZ 4.28Å; I301-F303 WeakPolarHBondContact O-CD2 3.23Å; I301-F303 PolarHBondContact O-N 3.19Å; I301-M306 HydrophobicContact CG2-CE 3.45Å; I301-M306 VanDerWaalsContact CG2-CE 3.45Å; I301-R339 HydrophobicContact CD1-CB 3.44Å; I301-R339 VanDerWaalsContact CD1-CB 3.44Å; I301-R339 HydrophobicContact CD1-CG 4.04Å; I301-R339 HydrophobicContact CG1-CB 3.83Å; I301-R339 HydrophobicContact CG1-CG 3.91Å; I301-G385 WeakPolarHBondContact CD1-O 3.1Å; I301-G385 WeakPolarHBondContact CG1-O 3.35Å; I301-G385 PolarHBondContact N-O 2.86Å; I301-R386 WeakPolarHBondContact CD1-O 3.47Å; I301-V388 HydrophobicContact CD1-CG2 3.75Å; I301-V388 HydrophobicContact CG2-CG2 4.32Å
302D92.5Very high93.7Very high70 Ų7064 Ų6437%0.37437%0.373SS..  trans-88.292.8165.2-176-4.2000110S304 K305D302-S304 PolarHBondContact O-N 3Å; D302-S304 WeakPolarHBondContact OD1-CB 3.46Å; D302-S304 PolarHBondContact OD1-N 3.08Å; D302-S304 PolarHBondContact OD1-OG 3.08Å; D302-K305 HydrophobicContact CB-CD 4.28Å; D302-K305 PolarHBondContact O-N 2.67Å; D302-K305 VanDerWaalsContact OD2-CD 3.32Å; D302-K305 WeakPolarHBondContact OD2-CD 3.49Å; D302-K305 WeakPolarHBondContact OD2-CE 3.32Å; D302-K305 IonicContact OD2-NZ 2.72Å; D302-K305 PolarHBondContact OD2-NZ 3.47Å
303F91.9Very high93.8Very high46 Ų4669.2 Ų69.220%0.20239%0.393CS..G310 helixtrans-61.6-24.2-177.3-68.2-87.7000113.2I301 K305 M306 V388 N414I301-F303 HydrophobicContact CB-CD2 4.45Å; I301-F303 HydrophobicContact CB-CE2 4.09Å; I301-F303 HydrophobicContact CB-CZ 4.2Å; I301-F303 HydrophobicContact CD1-CZ 4.48Å; I301-F303 HydrophobicContact CG2-CD1 4.25Å; I301-F303 HydrophobicContact CG2-CD2 4.26Å; I301-F303 HydrophobicContact CG2-CE1 4.27Å; I301-F303 HydrophobicContact CG2-CE2 4.28Å; I301-F303 HydrophobicContact CG2-CG 4.24Å; I301-F303 HydrophobicContact CG2-CZ 4.28Å; I301-F303 WeakPolarHBondContact O-CD2 3.23Å; I301-F303 PolarHBondContact O-N 3.19Å; F303-K305 PolarHBondContact O-N 3.02Å; F303-M306 PolarHBondContact O-N 2.76Å; F303-V388 HydrophobicContact CD1-CG2 4.25Å; F303-V388 HydrophobicContact CE1-CG2 3.73Å; F303-N414 WeakPolarHBondContact CE1-ND2 3.49Å; F303-N414 VanDerWaalsContact CZ-ND2 3.26Å; F303-N414 WeakPolarHBondContact CZ-ND2 3.27Å
304S89.1Confident94Very high92 Ų9264.1 Ų64.164%0.64337%0.371SS*.G310 helixtrans-65.5-21.1-179.974.80000113.1D302D302-S304 PolarHBondContact O-N 3Å; D302-S304 WeakPolarHBondContact OD1-CB 3.46Å; D302-S304 PolarHBondContact OD1-N 3.08Å; D302-S304 PolarHBondContact OD1-OG 3.08Å
305K89.3Confident94.3Very high142 Ų14265 Ų6562%0.61738%0.375SS*.G310 helixtrans-92.7-4.6-178.6-67.3178.9176.8132.70114.2D302 F303 H307D302-K305 HydrophobicContact CB-CD 4.28Å; D302-K305 PolarHBondContact O-N 2.67Å; D302-K305 VanDerWaalsContact OD2-CD 3.32Å; D302-K305 WeakPolarHBondContact OD2-CD 3.49Å; D302-K305 WeakPolarHBondContact OD2-CE 3.32Å; D302-K305 IonicContact OD2-NZ 2.72Å; D302-K305 PolarHBondContact OD2-NZ 3.47Å; F303-K305 PolarHBondContact O-N 3.02Å; K305-H307 PolarHBondContact O-N 3.09Å; K305-H307 PolarHBondContact O-ND1 2.71Å
306M93.2Very high94.6Very high12 Ų1266.6 Ų66.66%0.05938%0.383CS..  trans-61.8133177.9-66.2-57.913200109.8I301 F303 C337 V340 A467 R468I301-M306 HydrophobicContact CG2-CE 3.45Å; I301-M306 VanDerWaalsContact CG2-CE 3.45Å; F303-M306 PolarHBondContact O-N 2.76Å; M306-C337 HydrophobicContact CE-CB 3.8Å; M306-C337 WeakPolarHBondContact CE-SG 3.35Å; M306-C337 HydrophobicContact SD-CB 3.43Å; M306-C337 WeakPolarHBondContact SD-CB 3.43Å; M306-V340 HydrophobicContact SD-CG2 4.48Å; M306-A467 HydrophobicContact CB-CB 4.16Å; M306-A467 HydrophobicContact CG-CB 4.45Å; M306-R468 HydrophobicContact CB-CG 3.9Å; M306-R468 PolarHBondContact O-NE 3.44Å; M306-R468 PolarHBondContact O-NH2 3.46Å
307H95.2Very high94.8Very high95 Ų9565.8 Ų65.844%0.4437%0.374SS..  trans-159.2160.8175.258.3-76.4000109.9K305 S336 E464 R468K305-H307 PolarHBondContact O-N 3.09Å; K305-H307 PolarHBondContact O-ND1 2.71Å; H307-S336 WeakPolarHBondContact O-CB 3.29Å; H307-S336 PolarHBondContact O-OG 3.34Å; H307-E464 WeakPolarHBondContact CA-OE1 3.38Å; H307-E464 WeakPolarHBondContact CB-OE1 3.28Å; H307-R468 VanDerWaalsContact CB-NH2 3.34Å
308L97.5Very high95Very high9 Ų964.2 Ų64.25%0.04736%0.362CS..  trans-70.1137.6169.6-57.8177.7000109.3D310 A329 K332 L333 E460 E464L308-D310 VanDerWaalsContact CB-O 3.26Å; L308-D310 WeakPolarHBondContact CB-O 3.41Å; L308-D310 PolarHBondContact O-N 2.61Å; L308-A329 HydrophobicContact CD2-CB 4.32Å; L308-K332 HydrophobicContact CB-CB 4.28Å; L308-K332 HydrophobicContact CD2-CB 4.04Å; L308-L333 HydrophobicContact CD2-CB 4.25Å; L308-E460 HydrophobicContact CD1-CB 4.06Å; L308-E464 HydrophobicContact CD1-CB 4.26Å; L308-E464 HydrophobicContact CD2-CB 4.18Å; L308-E464 HydrophobicContact CG-CB 3.87Å; L308-E464 HydrophobicContact CG-CG 4.05Å; L308-E464 PolarHBondContact N-OE1 2.87Å; L308-E464 VanDerWaalsContact N-OE1 3.16Å
309C97.2Very high95.2Very high53 Ų5370.3 Ų70.336%0.35839%0.388SS..SBendtrans-63.5-20.317868.90000113.8K332 H335C309-K332 WeakPolarHBondContact CB-O 3.43Å; C309-K332 PolarHBondContact N-O 3.27Å; C309-K332 PolarHBondContact SG-O 3.07Å; C309-K332 VanDerWaalsContact SG-O 3.35Å; C309-H335 HydrophobicContact CB-CB 3.92Å
310D96.5Very high95.4Very high72 Ų7267 Ų6739%0.38536%0.363SS..SBendtrans-145.1151.6176.9-84.9-45.9000108.8L308 K313L308-D310 VanDerWaalsContact CB-O 3.26Å; L308-D310 WeakPolarHBondContact CB-O 3.41Å; L308-D310 PolarHBondContact O-N 2.61Å; D310-K313 IonicContact OD1-NZ 2.62Å; D310-K313 PolarHBondContact OD1-NZ 2.84Å; D310-K313 IonicContact OD2-NZ 2.64Å; D310-K313 PolarHBondContact OD2-NZ 2.76Å
311P96.6Very high95.9Very high58 Ų5864 Ų6438%0.37734%0.339SS..  trans-62.5167.817028.5-34.9000112K332P311-K332 PolarHBondContact O-NZ 3.45Å
312P98.2Very high96.2Very high2 Ų263 Ų631%0.01333%0.333CS..  trans-49.8149.2163.7-27.337000111.9Y314 V457 E460 N488P312-Y314 HydrophobicContact CB-CD2 4.05Å; P312-Y314 HydrophobicContact CB-CE2 4.18Å; P312-V457 HydrophobicContact CB-CG1 4.35Å; P312-V457 HydrophobicContact CB-CG2 4.11Å; P312-V457 HydrophobicContact CG-CG1 4.24Å; P312-E460 HydrophobicContact CG-CB 4.13Å; P312-N488 HydrophobicContact CB-CB 4.23Å; P312-N488 WeakPolarHBondContact CB-OD1 3.45Å; P312-N488 VanDerWaalsContact O-CB 3.24Å; P312-N488 WeakPolarHBondContact O-CB 3.38Å; P312-N488 PolarHBondContact O-OD1 3.42Å
313K97.6Very high96.5Very high132 Ų13261.4 Ų61.457%0.57432%0.322SS*.  trans-138.658.9-175.7-66.3179.6-177.2168.40110.6D310 N488D310-K313 IonicContact OD1-NZ 2.62Å; D310-K313 PolarHBondContact OD1-NZ 2.84Å; D310-K313 IonicContact OD2-NZ 2.64Å; D310-K313 PolarHBondContact OD2-NZ 2.76Å; K313-N488 PolarHBondContact N-OD1 3.42Å
314Y98.1Very high96.8Very high24 Ų2462.7 Ų62.79%0.09433%0.328CS..  trans-114.3154.2178.5-56.1-77000111.1P312 V320 A456 V457 E460 V484 N488P312-Y314 HydrophobicContact CB-CD2 4.05Å; P312-Y314 HydrophobicContact CB-CE2 4.18Å; Y314-V320 HydrophobicContact CD1-CG2 4.15Å; Y314-V320 HydrophobicContact CE1-CG1 4.23Å; Y314-V320 HydrophobicContact CE1-CG2 4.29Å; Y314-A456 HydrophobicContact CD1-CB 4.01Å; Y314-A456 HydrophobicContact CD2-CB 3.88Å; Y314-A456 HydrophobicContact CE1-CB 3.78Å; Y314-A456 HydrophobicContact CE2-CB 3.65Å; Y314-A456 HydrophobicContact CG-CB 4.06Å; Y314-V457 HydrophobicContact CD2-CG2 3.85Å; Y314-E460 HydrophobicContact CE2-CG 4.04Å; Y314-E460 WeakPolarHBondContact CE2-OE1 3.31Å; Y314-E460 VanDerWaalsContact CZ-OE1 3.22Å; Y314-E460 PolarHBondContact OH-OE1 3.44Å; Y314-V484 HydrophobicContact CG-CG2 4.26Å; Y314-N488 PolarHBondContact N-ND2 3.36Å; Y314-N488 PolarHBondContact N-OD1 2.89Å; Y314-N488 PolarHBondContact O-ND2 3.41Å; Y314-N488 PolarHBondContact O-OD1 3.49Å
315N98.4Very high97.2Very high113 Ų11358.3 Ų58.360%0.60430%0.297SS*.  trans-94.7143.4168.5-50.5-71.8000109.7G317 D318N315-G317 PolarHBondContact O-N 3.42Å; N315-D318 WeakPolarHBondContact CB-OD2 3.4Å; N315-D318 PolarHBondContact N-OD2 3.5Å; N315-D318 PolarHBondContact ND2-OD2 3.05Å; N315-D318 VanDerWaalsContact O-CB 3.29Å; N315-D318 WeakPolarHBondContact O-CB 3.27Å; N315-D318 PolarHBondContact O-N 2.89Å
316I98.4Very high97.7Very high120 Ų12051.6 Ų51.662%0.61527%0.268SS*.THydrogen-bonded Turntrans-56.7129173.1-63.7175.9000108.8
317G97.7Very high98Very high44 Ų4451 Ų5145%0.45427%0.265SS..THydrogen-bonded Turntrans93-13.3-176.800000115.4N315 K319 V484N315-G317 PolarHBondContact O-N 3.42Å; G317-K319 PolarHBondContact O-N 3.37Å; G317-V484 PolarHBondContact N-O 3.06Å
318D98.1Very high98.1Very high64 Ų6447.9 Ų47.934%0.34225%0.253SS..  trans-56.9137.6172.5-76.6-20.4000110N315 V320 P483 V484N315-D318 WeakPolarHBondContact CB-OD2 3.4Å; N315-D318 PolarHBondContact N-OD2 3.5Å; N315-D318 PolarHBondContact ND2-OD2 3.05Å; N315-D318 VanDerWaalsContact O-CB 3.29Å; N315-D318 WeakPolarHBondContact O-CB 3.27Å; N315-D318 PolarHBondContact O-N 2.89Å; D318-V320 HydrophobicContact CB-CG2 4.35Å; D318-P483 CarbonylContact O-C 3.54Å; D318-P483 WeakPolarHBondContact O-CA 3.33Å; D318-V484 HydrophobicContact CB-CG2 4.29Å; D318-V484 WeakPolarHBondContact O-CG2 3.45Å; D318-V484 PolarHBondContact O-N 3.44Å
319K98.3Very high98.2Very high150 Ų15047.5 Ų47.565%0.65225%0.251SS*.EExtended strand (participates in β ladder)trans-96.5105.2179.6-69.6-169179.6-1760110.6G317 N481 T482G317-K319 PolarHBondContact O-N 3.37Å; K319-N481 HydrophobicContact CB-CB 4.02Å; K319-T482 WeakPolarHBondContact CA-O 3.21Å
320V98.3Very high98.3Very high21 Ų2145 Ų4513%0.12723%0.234CC..EExtended strand (participates in β ladder)trans-133.8131.3-175.6-177.10000109.8Y314 D318 F324 A456 T482Y314-V320 HydrophobicContact CD1-CG2 4.15Å; Y314-V320 HydrophobicContact CE1-CG1 4.23Å; Y314-V320 HydrophobicContact CE1-CG2 4.29Å; D318-V320 HydrophobicContact CB-CG2 4.35Å; V320-F324 HydrophobicContact CG1-CB 4.42Å; V320-F324 HydrophobicContact CG1-CD1 3.83Å; V320-F324 HydrophobicContact CG1-CG 4.48Å; V320-A456 HydrophobicContact CB-CB 3.95Å; V320-A456 HydrophobicContact CG1-CB 3.9Å; V320-T482 PolarHBondContact N-O 2.77Å; V320-T482 PolarHBondContact O-N 3.07Å
321A98.5Very high98.4Very high2 Ų243 Ų432%0.01722%0.224CC..  trans-73.4139.8174.100000111R323 F324 A325 R479 P480 N481A321-R323 HydrophobicContact CB-CG 3.89Å; A321-R323 PolarHBondContact O-N 2.82Å; A321-F324 WeakPolarHBondContact O-CB 3.28Å; A321-F324 PolarHBondContact O-N 3.29Å; A321-A325 PolarHBondContact O-N 2.78Å; A321-A325 VanDerWaalsContact O-N 3.16Å; A321-R479 WeakPolarHBondContact CB-O 3.14Å; A321-P480 WeakPolarHBondContact CA-O 3.31Å; A321-P480 WeakPolarHBondContact CB-O 3.48Å; A321-N481 WeakPolarHBondContact CB-OD1 3.24Å; A321-N481 PolarHBondContact N-OD1 3.4Å; A321-N481 VanDerWaalsContact N-OD1 3.09Å
322T98.8Very high98.5Very high1 Ų141.3 Ų41.31%0.00621%0.211CC..Hα-helixtrans-63.7-30-179.557.50000112.5F324 A325 Y326 D455 C459 T477 S478T322-F324 VanDerWaalsContact C-N 3.29Å; T322-F324 PolarHBondContact O-N 3.02Å; T322-A325 PolarHBondContact O-N 3.11Å; T322-Y326 PolarHBondContact O-N 3.29Å; T322-D455 WeakPolarHBondContact CG2-O 3.45Å; T322-C459 HydrophobicContact CG2-CB 4.35Å; T322-C459 PolarHBondContact O-SG 3.34Å; T322-T477 WeakPolarHBondContact OG1-CA 3.47Å; T322-S478 PolarHBondContact OG1-N 3.27Å
323R98.7Very high98.4Very high38 Ų3841.2 Ų41.214%0.14321%0.21CC..Hα-helixtrans-60.8-34.4170.561.4179.2-179.8153.90.7113.4A321 G327 S350 T351 F352 H421 S478 R479A321-R323 HydrophobicContact CB-CG 3.89Å; A321-R323 PolarHBondContact O-N 2.82Å; R323-G327 PolarHBondContact O-N 3.29Å; R323-S350 WeakPolarHBondContact CD-O 3.33Å; R323-S350 PolarHBondContact NH1-O 3.29Å; R323-T351 VanDerWaalsContact O-O 3.11Å; R323-F352 HydrophobicContact CB-CD2 4.2Å; R323-F352 HydrophobicContact CG-CD2 3.84Å; R323-F352 HydrophobicContact CG-CE2 3.76Å; R323-H421 PolarHBondContact NH1-CE1 3.07Å; R323-H421 PolarHBondContact NH1-NE2 3.46Å; R323-S478 WeakPolarHBondContact CG-O 3.29Å; R323-R479 PolarHBondContact NE-O 3.07Å; R323-R479 PolarHBondContact NH2-O 3.4Å
324F98.8Very high98.5Very high73 Ų7335 Ų3532%0.3218%0.184SC..Hα-helixtrans-72.7-39.5175.8179-82.5000111.2V320 A321 T322 Y326 G327 T328 F352V320-F324 HydrophobicContact CG1-CB 4.42Å; V320-F324 HydrophobicContact CG1-CD1 3.83Å; V320-F324 HydrophobicContact CG1-CG 4.48Å; A321-F324 WeakPolarHBondContact O-CB 3.28Å; A321-F324 PolarHBondContact O-N 3.29Å; T322-F324 VanDerWaalsContact C-N 3.29Å; T322-F324 PolarHBondContact O-N 3.02Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; F324-G327 PolarHBondContact O-N 2.96Å; F324-T328 PolarHBondContact O-N 3.07Å; F324-T328 VanDerWaalsContact O-N 3.15Å; F324-T328 PolarHBondContact O-OG1 2.55Å; F324-F352 HydrophobicContact CB-CD2 4.04Å; F324-F352 HydrophobicContact CB-CE2 4.04Å; F324-F352 HydrophobicContact CB-CG 4.31Å; F324-F352 HydrophobicContact CB-CZ 4.32Å; F324-F352 AromaticContact CD2-CD1 3.74Å; F324-F352 HydrophobicContact CD2-CD1 3.74Å; F324-F352 AromaticContact CD2-CE1 3.57Å; F324-F352 HydrophobicContact CD2-CE1 3.57Å; F324-F352 HydrophobicContact CD2-CE2 4.46Å; F324-F352 HydrophobicContact CD2-CG 4.25Å; F324-F352 AromaticContact CD2-CZ 3.95Å; F324-F352 HydrophobicContact CD2-CZ 3.95Å; F324-F352 HydrophobicContact CE2-CD1 4.45Å; F324-F352 HydrophobicContact CE2-CE1 4.29Å
325A98.8Very high98.4Very high0 Ų039.6 Ų39.60%021%0.206CC..Hα-helixtrans-63.8-37.7175.300000111.8A321 T322 G327 T328 A329 A456 C459 E460A321-A325 PolarHBondContact O-N 2.78Å; A321-A325 VanDerWaalsContact O-N 3.16Å; T322-A325 PolarHBondContact O-N 3.11Å; A325-G327 PolarHBondContact O-N 3.02Å; A325-T328 WeakPolarHBondContact O-CB 3.31Å; A325-T328 PolarHBondContact O-N 3.43Å; A325-T328 VanDerWaalsContact O-N 3.16Å; A325-A329 PolarHBondContact O-N 3.29Å; A325-A456 HydrophobicContact CB-CB 3.76Å; A325-C459 HydrophobicContact CB-CB 3.86Å; A325-E460 HydrophobicContact CB-CG 4.5Å
326Y98.9Very high98.3Very high0 Ų036.1 Ų36.10%019%0.19CC..Hα-helixtrans-54.1-53.8172.2160.7-105.6000112T322 F324 T328 A329 L330 T351 A353 F390 C418 V463T322-Y326 PolarHBondContact O-N 3.29Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-T328 PolarHBondContact O-N 2.93Å; Y326-A329 PolarHBondContact O-N 3.44Å; Y326-L330 HydrophobicContact CE1-CD2 4.41Å; Y326-L330 HydrophobicContact CE2-CD2 4.38Å; Y326-L330 WeakPolarHBondContact O-CB 3.49Å; Y326-L330 PolarHBondContact O-N 3.27Å; Y326-T351 WeakPolarHBondContact CD1-O 3.44Å; Y326-A353 HydrophobicContact CE1-CB 4.4Å; Y326-F390 HydrophobicContact CE2-CD1 4.16Å; Y326-C418 HydrophobicContact CD1-CB 4.35Å; Y326-C418 HydrophobicContact CD2-CB 3.83Å; Y326-C418 VanDerWaalsContact CD2-SG 3.54Å; Y326-C418 HydrophobicContact CE1-CB 3.99Å; Y326-C418 HydrophobicContact CE2-CB 3.44Å; Y326-C418 VanDerWaalsContact CE2-CB 3.44Å; Y326-C418 HydrophobicContact CG-CB 4.27Å; Y326-V463 HydrophobicContact CD2-CG2 3.74Å; Y326-V463 HydrophobicContact CE2-CG2 4.45Å
327G98.8Very high98.1Very high0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-61.1-34.1178.600000112.9R323 F324 A325 V331 F352R323-G327 PolarHBondContact O-N 3.29Å; F324-G327 PolarHBondContact O-N 2.96Å; A325-G327 PolarHBondContact O-N 3.02Å; G327-V331 WeakPolarHBondContact O-CG2 3.49Å; G327-V331 PolarHBondContact O-N 3.13Å; G327-F352 VanDerWaalsContact CA-O 3.3Å; G327-F352 WeakPolarHBondContact CA-O 3.34Å
328T98.7Very high98Very high30 Ų3034.6 Ų34.618%0.18417%0.174CC..Hα-helixtrans-67.6-46.6175.7-57.20000111.8F324 A325 Y326 L330 V331 K332 E460F324-T328 PolarHBondContact O-N 3.07Å; F324-T328 VanDerWaalsContact O-N 3.15Å; F324-T328 PolarHBondContact O-OG1 2.55Å; A325-T328 WeakPolarHBondContact O-CB 3.31Å; A325-T328 PolarHBondContact O-N 3.43Å; A325-T328 VanDerWaalsContact O-N 3.16Å; Y326-T328 PolarHBondContact O-N 2.93Å; T328-L330 VanDerWaalsContact C-N 3.34Å; T328-L330 PolarHBondContact O-N 2.96Å; T328-V331 PolarHBondContact O-N 3.41Å; T328-K332 PolarHBondContact O-N 3.15Å; T328-E460 WeakPolarHBondContact CG2-OE1 3.35Å
329A98.8Very high98Very high0 Ų033.3 Ų33.30%016%0.164CC..Hα-helixtrans-65.8-36.2176.800000112.9L308 A325 Y326 V331 K332 L333 E460 V463L308-A329 HydrophobicContact CD2-CB 4.32Å; A325-A329 PolarHBondContact O-N 3.29Å; Y326-A329 PolarHBondContact O-N 3.44Å; A329-V331 VanDerWaalsContact C-N 3.28Å; A329-V331 PolarHBondContact O-N 3.03Å; A329-K332 PolarHBondContact O-N 3.14Å; A329-L333 WeakPolarHBondContact O-CB 3.44Å; A329-L333 PolarHBondContact O-N 3.44Å; A329-E460 HydrophobicContact CB-CB 3.83Å; A329-E460 HydrophobicContact CB-CG 3.83Å; A329-V463 HydrophobicContact CB-CB 3.72Å; A329-V463 HydrophobicContact CB-CG1 3.83Å; A329-V463 HydrophobicContact CB-CG2 3.9Å
330L98.5Very high98Very high0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-61.8-39.4177.4-164.760.7000111Y326 T328 L333 G334 V340 A342 F356 F390Y326-L330 HydrophobicContact CE1-CD2 4.41Å; Y326-L330 HydrophobicContact CE2-CD2 4.38Å; Y326-L330 WeakPolarHBondContact O-CB 3.49Å; Y326-L330 PolarHBondContact O-N 3.27Å; T328-L330 VanDerWaalsContact C-N 3.34Å; T328-L330 PolarHBondContact O-N 2.96Å; L330-L333 PolarHBondContact O-N 3.33Å; L330-G334 PolarHBondContact O-N 3.14Å; L330-V340 HydrophobicContact CD1-CG1 4.16Å; L330-A342 HydrophobicContact CD2-CB 3.8Å; L330-F356 HydrophobicContact CB-CD2 4.26Å; L330-F356 HydrophobicContact CD1-CD2 4.47Å; L330-F356 HydrophobicContact CD2-CB 3.82Å; L330-F356 HydrophobicContact CD2-CD2 4.12Å; L330-F356 HydrophobicContact CD2-CG 4.04Å; L330-F356 HydrophobicContact CG-CB 4.08Å; L330-F356 HydrophobicContact CG-CD2 3.55Å; L330-F356 HydrophobicContact CG-CE2 4.18Å; L330-F356 HydrophobicContact CG-CG 4Å; L330-F356 WeakPolarHBondContact O-CD2 3.25Å; L330-F390 HydrophobicContact CD1-CB 3.83Å; L330-F390 HydrophobicContact CD1-CD1 3.94Å; L330-F390 HydrophobicContact CD1-CD2 3.7Å; L330-F390 HydrophobicContact CD1-CE1 4.42Å; L330-F390 HydrophobicContact CD1-CE2 4.21Å; L330-F390 HydrophobicContact CD1-CG 3.54Å; L330-F390 HydrophobicContact CD2-CB 4.47Å
331V98.7Very high98Very high30 Ų3025.2 Ų25.218%0.18213%0.128CC..Hα-helixtrans-63.2-47172.8173.50000111.4G327 T328 A329 L333 G334 H335 K355 F356 A359 F360G327-V331 WeakPolarHBondContact O-CG2 3.49Å; G327-V331 PolarHBondContact O-N 3.13Å; T328-V331 PolarHBondContact O-N 3.41Å; A329-V331 VanDerWaalsContact C-N 3.28Å; A329-V331 PolarHBondContact O-N 3.03Å; V331-L333 VanDerWaalsContact C-N 3.3Å; V331-L333 PolarHBondContact O-N 2.98Å; V331-G334 PolarHBondContact O-N 3.28Å; V331-G334 VanDerWaalsContact O-N 3.14Å; V331-H335 PolarHBondContact O-CD2 2.92Å; V331-H335 VanDerWaalsContact O-CD2 3.27Å; V331-H335 PolarHBondContact O-N 3.42Å; V331-K355 HydrophobicContact CG2-CB 3.92Å; V331-K355 WeakPolarHBondContact CG2-O 3.3Å; V331-F356 HydrophobicContact CG2-CB 4.47Å; V331-A359 HydrophobicContact CG1-CB 4.01Å; V331-A359 HydrophobicContact CG2-CB 4.15Å; V331-F360 HydrophobicContact CG1-CE2 4.31Å; V331-F360 WeakPolarHBondContact O-CE2 3.38Å
332K98.6Very high98Very high24 Ų2425.1 Ų25.110%0.10413%0.127CC..Hα-helixtrans-59.6-39.9177.6-69-180-178.1-178.60112.5L308 C309 P311 T328 A329 H335 E460L308-K332 HydrophobicContact CB-CB 4.28Å; L308-K332 HydrophobicContact CD2-CB 4.04Å; C309-K332 WeakPolarHBondContact CB-O 3.43Å; C309-K332 PolarHBondContact N-O 3.27Å; C309-K332 PolarHBondContact SG-O 3.07Å; C309-K332 VanDerWaalsContact SG-O 3.35Å; P311-K332 PolarHBondContact O-NZ 3.45Å; T328-K332 PolarHBondContact O-N 3.15Å; A329-K332 PolarHBondContact O-N 3.14Å; K332-H335 PolarHBondContact O-N 3.36Å; K332-E460 WeakPolarHBondContact CD-OE2 3.46Å; K332-E460 WeakPolarHBondContact CE-OE2 3.45Å; K332-E460 IonicContact NZ-OE1 3.17Å; K332-E460 PolarHBondContact NZ-OE1 2.86Å; K332-E460 IonicContact NZ-OE2 2.73Å; K332-E460 PolarHBondContact NZ-OE2 3.47Å
333L97.8Very high98Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-70.6-37.2175.9-168.471000111.6L308 A329 L330 V331 H335 S336 C337 V340 F390 V463 A467L308-L333 HydrophobicContact CD2-CB 4.25Å; A329-L333 WeakPolarHBondContact O-CB 3.44Å; A329-L333 PolarHBondContact O-N 3.44Å; L330-L333 PolarHBondContact O-N 3.33Å; V331-L333 VanDerWaalsContact C-N 3.3Å; V331-L333 PolarHBondContact O-N 2.98Å; L333-H335 PolarHBondContact O-N 2.86Å; L333-S336 PolarHBondContact O-N 2.86Å; L333-S336 VanDerWaalsContact O-N 3.14Å; L333-S336 PolarHBondContact O-OG 3.37Å; L333-C337 PolarHBondContact O-N 3.22Å; L333-C337 VanDerWaalsContact O-N 3.15Å; L333-V340 HydrophobicContact CD2-CG1 4.15Å; L333-V340 HydrophobicContact CD2-CG2 3.94Å; L333-V340 HydrophobicContact CG-CG1 4.43Å; L333-V340 HydrophobicContact CG-CG2 3.83Å; L333-F390 HydrophobicContact CD2-CE2 3.56Å; L333-F390 HydrophobicContact CD2-CZ 3.67Å; L333-V463 HydrophobicContact CD2-CG1 4.28Å; L333-A467 HydrophobicContact CD1-CB 4.02Å; L333-A467 HydrophobicContact CD2-CB 3.57Å; L333-A467 HydrophobicContact CG-CB 4.43Å
334G97.9Very high98Very high2 Ų223.3 Ų23.32%0.02112%0.12CC..Hα-helixtrans-61.8-30.617400000113.4L330 V331 R363L330-G334 PolarHBondContact O-N 3.14Å; V331-G334 PolarHBondContact O-N 3.28Å; V331-G334 VanDerWaalsContact O-N 3.14Å; G334-R363 PolarHBondContact O-NH1 3.02Å; G334-R363 PolarHBondContact O-NH2 3.07Å
335H97.5Very high98Very high119 Ų11919.9 Ų19.955%0.55111%0.105SC*.Hα-helixtrans-71.4-27.9173.9-79.2-62.1000113.6C309 V331 K332 L333 F360C309-H335 HydrophobicContact CB-CB 3.92Å; V331-H335 PolarHBondContact O-CD2 2.92Å; V331-H335 VanDerWaalsContact O-CD2 3.27Å; V331-H335 PolarHBondContact O-N 3.42Å; K332-H335 PolarHBondContact O-N 3.36Å; L333-H335 PolarHBondContact O-N 2.86Å; H335-F360 HydrophobicContact CB-CZ 4.46Å; H335-F360 AromaticContact CD2-CZ 3.83Å; H335-F360 AromaticContact CE1-CE1 3.91Å; H335-F360 AromaticContact CE1-CZ 3.59Å; H335-F360 AromaticContact CG-CZ 3.73Å; H335-F360 AromaticContact ND1-CE1 3.95Å; H335-F360 AromaticContact ND1-CZ 3.58Å; H335-F360 AromaticContact NE2-CZ 3.75Å
336S95.4Very high98Very high40 Ų4023.5 Ų23.528%0.2812%0.124SC..Hα-helixtrans-90.7-21.9-178.566.30000113.9H307 L333H307-S336 WeakPolarHBondContact O-CB 3.29Å; H307-S336 PolarHBondContact O-OG 3.34Å; L333-S336 PolarHBondContact O-N 2.86Å; L333-S336 VanDerWaalsContact O-N 3.14Å; L333-S336 PolarHBondContact O-OG 3.37Å
337C95.3Very high98Very high11 Ų1124.5 Ų24.57%0.07413%0.131CC..  trans-141.6122.6179.4175.60000111.5M306 L333 R339 V340 R363M306-C337 HydrophobicContact CE-CB 3.8Å; M306-C337 WeakPolarHBondContact CE-SG 3.35Å; M306-C337 HydrophobicContact SD-CB 3.43Å; M306-C337 WeakPolarHBondContact SD-CB 3.43Å; L333-C337 PolarHBondContact O-N 3.22Å; L333-C337 VanDerWaalsContact O-N 3.15Å; C337-R339 PolarHBondContact O-N 3.25Å; C337-R339 PolarHBondContact SG-N 3.19Å; C337-V340 HydrophobicContact CB-CG2 3.78Å; C337-V340 PolarHBondContact O-N 3.15Å; C337-R363 PolarHBondContact O-NH1 3.34Å
338D95.7Very high98Very high121 Ų12125.8 Ų25.865%0.64714%0.136SC*.THydrogen-bonded Turntrans-72.3-14.2177.767.3-16.6000113.5R363D338-R363 VanDerWaalsContact CA-NH1 3.33Å; D338-R363 WeakPolarHBondContact O-CD 3.48Å; D338-R363 PolarHBondContact O-NH1 3.06Å
339R96.9Very high98Very high38 Ų3829.2 Ų29.214%0.14315%0.154CC..THydrogen-bonded Turntrans-940.5177.2-55-57-65.8-158.1-5.9114.7F141 D142 I301 C337 R386 T387 V388F141-R339 PolarHBondContact O-NH1 3.24Å; D142-R339 IonicContact OD1-CZ 2.74Å; D142-R339 VanDerWaalsContact OD1-CZ 3.28Å; D142-R339 IonicContact OD1-NH1 2.83Å; D142-R339 PolarHBondContact OD1-NH1 3.3Å; D142-R339 IonicContact OD1-NH2 3.74Å; D142-R339 PolarHBondContact OD1-NH2 3.39Å; I301-R339 HydrophobicContact CD1-CB 3.44Å; I301-R339 VanDerWaalsContact CD1-CB 3.44Å; I301-R339 HydrophobicContact CD1-CG 4.04Å; I301-R339 HydrophobicContact CG1-CB 3.83Å; I301-R339 HydrophobicContact CG1-CG 3.91Å; C337-R339 PolarHBondContact O-N 3.25Å; C337-R339 PolarHBondContact SG-N 3.19Å; R339-R386 PolarHBondContact NE-O 3.3Å; R339-R386 PolarHBondContact NH2-O 3.17Å; R339-T387 WeakPolarHBondContact O-CA 3.35Å; R339-V388 PolarHBondContact O-N 3.04Å
340V98.3Very high98Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-71.9126.6165.6174.20000108.1M306 L330 L333 C337 F356 R363 V388 F390M306-V340 HydrophobicContact SD-CG2 4.48Å; L330-V340 HydrophobicContact CD1-CG1 4.16Å; L333-V340 HydrophobicContact CD2-CG1 4.15Å; L333-V340 HydrophobicContact CD2-CG2 3.94Å; L333-V340 HydrophobicContact CG-CG1 4.43Å; L333-V340 HydrophobicContact CG-CG2 3.83Å; C337-V340 HydrophobicContact CB-CG2 3.78Å; C337-V340 PolarHBondContact O-N 3.15Å; V340-F356 HydrophobicContact CG1-CE2 3.97Å; V340-F356 HydrophobicContact CG1-CZ 4.21Å; V340-F356 WeakPolarHBondContact O-CZ 3.44Å; V340-R363 PolarHBondContact O-NH1 3.35Å; V340-V388 HydrophobicContact CG2-CB 4.3Å; V340-F390 HydrophobicContact CG1-CD2 4.22Å; V340-F390 HydrophobicContact CG1-CE2 4.38Å
341I98.8Very high98Very high1 Ų130.7 Ų30.71%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-128.7150.1177.669.6171.9000109.4F141 L343 R363 I365 C381 T387 V388 P389 F390F141-I341 HydrophobicContact CD2-CG2 4.45Å; F141-I341 HydrophobicContact CE1-CG2 4.03Å; F141-I341 HydrophobicContact CE2-CD1 3.7Å; F141-I341 HydrophobicContact CE2-CG2 3.83Å; F141-I341 HydrophobicContact CZ-CB 4.23Å; F141-I341 HydrophobicContact CZ-CD1 4.16Å; F141-I341 HydrophobicContact CZ-CG2 3.57Å; I341-L343 HydrophobicContact CD1-CD1 4.09Å; I341-L343 HydrophobicContact CG1-CD1 4.06Å; I341-R363 WeakPolarHBondContact CA-O 3.4Å; I341-R363 WeakPolarHBondContact CB-O 3.41Å; I341-R363 HydrophobicContact CG2-CB 4.38Å; I341-I365 HydrophobicContact CD1-CD1 4.05Å; I341-C381 HydrophobicContact CD1-CB 3.79Å; I341-T387 HydrophobicContact CD1-CG2 4.12Å; I341-T387 HydrophobicContact CG2-CG2 4.34Å; I341-V388 PolarHBondContact N-O 2.89Å; I341-P389 HydrophobicContact CD1-CB 4.07Å; I341-P389 HydrophobicContact CG1-CB 3.86Å; I341-F390 PolarHBondContact O-N 3.33Å
342A98.9Very high98Very high0 Ų031.3 Ų31.30%016%0.164CC..EExtended strand (participates in β ladder)trans-115.9137.5177.300000110L330 F356 R363 F364 I365 F390L330-A342 HydrophobicContact CD2-CB 3.8Å; A342-F356 HydrophobicContact CB-CB 4.28Å; A342-F356 HydrophobicContact CB-CD1 3.42Å; A342-F356 VanDerWaalsContact CB-CD1 3.42Å; A342-F356 HydrophobicContact CB-CE1 3.85Å; A342-F356 HydrophobicContact CB-CG 3.89Å; A342-R363 PolarHBondContact N-O 3.41Å; A342-F364 HydrophobicContact CB-CD2 3.81Å; A342-F364 HydrophobicContact CB-CE2 4.29Å; A342-F364 CarbonylContact O-C 3.54Å; A342-F364 WeakPolarHBondContact O-CA 3.28Å; A342-I365 PolarHBondContact O-N 2.97Å; A342-F390 CarbonylContact C-O 3.5Å; A342-F390 WeakPolarHBondContact CA-O 3.29Å
343L98.9Very high98Very high0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-126135.5174.5-5491000108.2I341 I365 M374 V377 A378 P389 F390 C391 S392I341-L343 HydrophobicContact CD1-CD1 4.09Å; I341-L343 HydrophobicContact CG1-CD1 4.06Å; L343-I365 WeakPolarHBondContact CA-O 3.47Å; L343-I365 HydrophobicContact CD2-CB 4.17Å; L343-I365 HydrophobicContact CD2-CD1 3.99Å; L343-I365 HydrophobicContact CD2-CG2 4.44Å; L343-I365 HydrophobicContact CG-CB 4Å; L343-I365 HydrophobicContact CG-CD1 4.17Å; L343-I365 HydrophobicContact CG-CG1 4.34Å; L343-M374 HydrophobicContact CB-CG 4.02Å; L343-M374 HydrophobicContact CB-SD 4.44Å; L343-V377 HydrophobicContact CD2-CB 4.32Å; L343-V377 HydrophobicContact CD2-CG1 3.71Å; L343-A378 HydrophobicContact CD1-CB 4.14Å; L343-A378 HydrophobicContact CD2-CB 4.13Å; L343-P389 HydrophobicContact CD1-CB 3.62Å; L343-F390 PolarHBondContact N-O 3.17Å; L343-C391 CarbonylContact O-C 3.51Å; L343-C391 VanDerWaalsContact O-CA 3.27Å; L343-C391 WeakPolarHBondContact O-CA 3.39Å; L343-S392 PolarHBondContact O-N 2.89Å; L343-S392 PolarHBondContact O-OG 3.2Å
344D98.9Very high98Very high0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans-141.3147.6179.4-166.4-77.8000110.7D346 V347 K348 T351 A353 F364 I365 E366 C367 S392D344-D346 PolarHBondContact OD1-N 2.86Å; D344-V347 WeakPolarHBondContact OD1-CA 3.11Å; D344-V347 WeakPolarHBondContact OD1-CG2 3.33Å; D344-V347 PolarHBondContact OD1-N 3.37Å; D344-K348 HydrophobicContact CB-CB 4.15Å; D344-K348 VanDerWaalsContact CG-N 3.32Å; D344-K348 WeakPolarHBondContact OD1-CA 3.49Å; D344-K348 PolarHBondContact OD1-N 2.99Å; D344-K348 WeakPolarHBondContact OD2-CA 3.46Å; D344-K348 PolarHBondContact OD2-N 2.89Å; D344-T351 PolarHBondContact OD2-OG1 2.91Å; D344-A353 HydrophobicContact CB-CB 4.37Å; D344-F364 HydrophobicContact CB-CE2 4.17Å; D344-F364 HydrophobicContact CB-CZ 3.73Å; D344-I365 PolarHBondContact N-O 2.95Å; D344-E366 VanDerWaalsContact O-OE1 3.14Å; D344-C367 WeakPolarHBondContact O-CB 3.16Å; D344-C367 PolarHBondContact O-N 3.12Å; D344-S392 WeakPolarHBondContact CA-O 3.46Å; D344-S392 VanDerWaalsContact CG-O 3.31Å; D344-S392 WeakPolarHBondContact OD2-CB 3.33Å; D344-S392 PolarHBondContact OD2-OG 2.79Å
345G98.5Very high98.1Very high2 Ų234.8 Ų34.82%0.02118%0.18CC..SBendtrans-98.268.2179.200000113.1V347 Y368 S392G345-V347 PolarHBondContact O-N 3.45Å; G345-V347 VanDerWaalsContact O-N 3.07Å; G345-Y368 CarbonylContact C-O 3.59Å; G345-Y368 WeakPolarHBondContact CA-O 3.47Å; G345-S392 PolarHBondContact N-O 3.23Å
346D98.7Very high98.1Very high75 Ų7529.1 Ų29.140%0.40115%0.154SC..SBendtrans51.323.5-178.1-156.430.9000117.3D344 K348 E366 I369D344-D346 PolarHBondContact OD1-N 2.86Å; D346-K348 IonicContact OD1-NZ 2.75Å; D346-K348 PolarHBondContact OD1-NZ 2.91Å; D346-K348 VanDerWaalsContact OD1-NZ 3.07Å; D346-E366 WeakPolarHBondContact CA-OE1 3.46Å; D346-E366 PolarHBondContact N-OE1 3.4Å; D346-I369 HydrophobicContact CB-CG1 4.01Å
347V98.6Very high98.3Very high22 Ų2232.7 Ų32.713%0.13316%0.162CC..  trans-122.416.5177.6-66.60000112.8D344 G345 N349 S350 T351 F394D344-V347 WeakPolarHBondContact OD1-CA 3.11Å; D344-V347 WeakPolarHBondContact OD1-CG2 3.33Å; D344-V347 PolarHBondContact OD1-N 3.37Å; G345-V347 PolarHBondContact O-N 3.45Å; G345-V347 VanDerWaalsContact O-N 3.07Å; V347-N349 PolarHBondContact O-N 3.03Å; V347-N349 VanDerWaalsContact O-N 3.08Å; V347-S350 CarbonylContact O-C 3.57Å; V347-S350 WeakPolarHBondContact O-CA 3.34Å; V347-S350 VanDerWaalsContact O-CB 3.31Å; V347-S350 WeakPolarHBondContact O-CB 3.48Å; V347-S350 PolarHBondContact O-N 3.04Å; V347-T351 HydrophobicContact CB-CG2 4.39Å; V347-T351 HydrophobicContact CG2-CG2 3.71Å; V347-T351 PolarHBondContact O-N 3.37Å; V347-T351 PolarHBondContact O-OG1 3.34Å; V347-F394 HydrophobicContact CB-CD1 4.34Å; V347-F394 HydrophobicContact CB-CE1 4.01Å; V347-F394 HydrophobicContact CG1-CD1 4.45Å; V347-F394 HydrophobicContact CG1-CE1 4.12Å; V347-F394 HydrophobicContact CG2-CD1 4.34Å; V347-F394 HydrophobicContact CG2-CE1 4.48Å
348K98.7Very high98.4Very high26 Ų2638.1 Ų38.111%0.11319%0.19CC..Hα-helixtrans-50.8-31.5-179.263.1-168.9158.7-70.50115.5D344 D346 S350 T351 F352 A353 D354 F364 E366D344-K348 HydrophobicContact CB-CB 4.15Å; D344-K348 VanDerWaalsContact CG-N 3.32Å; D344-K348 WeakPolarHBondContact OD1-CA 3.49Å; D344-K348 PolarHBondContact OD1-N 2.99Å; D344-K348 WeakPolarHBondContact OD2-CA 3.46Å; D344-K348 PolarHBondContact OD2-N 2.89Å; D346-K348 IonicContact OD1-NZ 2.75Å; D346-K348 PolarHBondContact OD1-NZ 2.91Å; D346-K348 VanDerWaalsContact OD1-NZ 3.07Å; K348-S350 VanDerWaalsContact C-N 3.29Å; K348-T351 WeakPolarHBondContact CA-OG1 3.31Å; K348-F352 CarbonylContact O-C 3.53Å; K348-F352 VanDerWaalsContact O-CA 3.23Å; K348-F352 WeakPolarHBondContact O-CA 3.43Å; K348-F352 PolarHBondContact O-N 3.04Å; K348-A353 HydrophobicContact CB-CB 4.37Å; K348-A353 PolarHBondContact O-N 2.74Å; K348-A353 VanDerWaalsContact O-N 3.09Å; K348-D354 HydrophobicContact CB-CB 4.11Å; K348-D354 HydrophobicContact CG-CB 4.1Å; K348-D354 WeakPolarHBondContact O-CB 3.42Å; K348-D354 PolarHBondContact O-N 3.06Å; K348-F364 HydrophobicContact CB-CE2 4.47Å; K348-F364 HydrophobicContact CB-CZ 3.95Å; K348-F364 HydrophobicContact CD-CE1 4.14Å; K348-F364 HydrophobicContact CD-CZ 3.89Å; K348-E366 WeakPolarHBondContact CD-OE2 3.42Å; K348-E366 VanDerWaalsContact CE-OE2 3.29Å; K348-E366 WeakPolarHBondContact CE-OE2 3.31Å; K348-E366 IonicContact NZ-OE2 2.87Å; K348-E366 PolarHBondContact NZ-OE2 3.31Å
349N98.3Very high98.6Very high103 Ų10334.5 Ų34.555%0.55118%0.177SC*.Hα-helixtrans-76.5-17.317662.9-20.3000113V347V347-N349 PolarHBondContact O-N 3.03Å; V347-N349 VanDerWaalsContact O-N 3.08Å
350S98.5Very high98.6Very high30 Ų3034.1 Ų34.121%0.2118%0.176CC..Hα-helixtrans-104.4-34.6-178-59.20000111.7R323 V347 K348 F352R323-S350 WeakPolarHBondContact CD-O 3.33Å; R323-S350 PolarHBondContact NH1-O 3.29Å; V347-S350 CarbonylContact O-C 3.57Å; V347-S350 WeakPolarHBondContact O-CA 3.34Å; V347-S350 VanDerWaalsContact O-CB 3.31Å; V347-S350 WeakPolarHBondContact O-CB 3.48Å; V347-S350 PolarHBondContact O-N 3.04Å; K348-S350 VanDerWaalsContact C-N 3.29Å; S350-F352 VanDerWaalsContact C-N 3.32Å
351T98.7Very high98.6Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-79.3-16.7170.261.40000112.2R323 Y326 D344 V347 K348 A353R323-T351 VanDerWaalsContact O-O 3.11Å; Y326-T351 WeakPolarHBondContact CD1-O 3.44Å; D344-T351 PolarHBondContact OD2-OG1 2.91Å; V347-T351 HydrophobicContact CB-CG2 4.39Å; V347-T351 HydrophobicContact CG2-CG2 3.71Å; V347-T351 PolarHBondContact O-N 3.37Å; V347-T351 PolarHBondContact O-OG1 3.34Å; K348-T351 WeakPolarHBondContact CA-OG1 3.31Å; T351-A353 PolarHBondContact O-N 2.79Å; T351-A353 WeakPolarHBondContact OG1-CB 3.44Å; T351-A353 PolarHBondContact OG1-N 2.85Å
352F98.8Very high98.6Very high44 Ų4444.6 Ų44.619%0.19324%0.236CC..SBendtrans64.617.2-169.6-62.1-85.6000115R323 F324 G327 K348 S350 D354 K355R323-F352 HydrophobicContact CB-CD2 4.2Å; R323-F352 HydrophobicContact CG-CD2 3.84Å; R323-F352 HydrophobicContact CG-CE2 3.76Å; F324-F352 HydrophobicContact CB-CD2 4.04Å; F324-F352 HydrophobicContact CB-CE2 4.04Å; F324-F352 HydrophobicContact CB-CG 4.31Å; F324-F352 HydrophobicContact CB-CZ 4.32Å; F324-F352 AromaticContact CD2-CD1 3.74Å; F324-F352 HydrophobicContact CD2-CD1 3.74Å; F324-F352 AromaticContact CD2-CE1 3.57Å; F324-F352 HydrophobicContact CD2-CE1 3.57Å; F324-F352 HydrophobicContact CD2-CE2 4.46Å; F324-F352 HydrophobicContact CD2-CG 4.25Å; F324-F352 AromaticContact CD2-CZ 3.95Å; F324-F352 HydrophobicContact CD2-CZ 3.95Å; F324-F352 HydrophobicContact CE2-CD1 4.45Å; F324-F352 HydrophobicContact CE2-CE1 4.29Å; G327-F352 VanDerWaalsContact CA-O 3.3Å; G327-F352 WeakPolarHBondContact CA-O 3.34Å; K348-F352 CarbonylContact O-C 3.53Å; K348-F352 VanDerWaalsContact O-CA 3.23Å; K348-F352 WeakPolarHBondContact O-CA 3.43Å; K348-F352 PolarHBondContact O-N 3.04Å; S350-F352 VanDerWaalsContact C-N 3.32Å; F352-D354 WeakPolarHBondContact CA-OD1 3.31Å; F352-D354 PolarHBondContact O-N 3.18Å; F352-K355 HydrophobicContact CB-CD 4.25Å; F352-K355 WeakPolarHBondContact O-CB 3.4Å; F352-K355 PolarHBondContact O-N 3.28Å
353A98.7Very high98.6Very high0 Ų046.2 Ų46.20%024%0.243CC..THydrogen-bonded Turntrans-66.6-16.4169.200000112.5Y326 D344 K348 T351 K355 F356 R357 F364 S392Y326-A353 HydrophobicContact CE1-CB 4.4Å; D344-A353 HydrophobicContact CB-CB 4.37Å; K348-A353 HydrophobicContact CB-CB 4.37Å; K348-A353 PolarHBondContact O-N 2.74Å; K348-A353 VanDerWaalsContact O-N 3.09Å; T351-A353 PolarHBondContact O-N 2.79Å; T351-A353 WeakPolarHBondContact OG1-CB 3.44Å; T351-A353 PolarHBondContact OG1-N 2.85Å; A353-K355 PolarHBondContact O-N 3.44Å; A353-F356 WeakPolarHBondContact O-CB 3.25Å; A353-F356 PolarHBondContact O-N 3.29Å; A353-R357 PolarHBondContact O-N 3.35Å; A353-R357 VanDerWaalsContact O-N 3.12Å; A353-F364 HydrophobicContact CB-CE2 4.1Å; A353-S392 VanDerWaalsContact CB-OG 3.29Å; A353-S392 WeakPolarHBondContact CB-OG 3.35Å
354D98.6Very high98.6Very high40 Ų4046.9 Ų46.921%0.21425%0.245CC..Hα-helixtrans-59-28170.766.8-14.9000113.3K348 F352 F356 R357 N358K348-D354 HydrophobicContact CB-CB 4.11Å; K348-D354 HydrophobicContact CG-CB 4.1Å; K348-D354 WeakPolarHBondContact O-CB 3.42Å; K348-D354 PolarHBondContact O-N 3.06Å; F352-D354 WeakPolarHBondContact CA-OD1 3.31Å; F352-D354 PolarHBondContact O-N 3.18Å; D354-F356 VanDerWaalsContact C-N 3.32Å; D354-F356 PolarHBondContact O-N 2.87Å; D354-R357 WeakPolarHBondContact O-CB 3.31Å; D354-R357 PolarHBondContact O-N 2.8Å; D354-N358 WeakPolarHBondContact O-CB 3.18Å; D354-N358 PolarHBondContact O-N 3.47Å; D354-N358 PolarHBondContact O-ND2 2.69Å; D354-N358 PolarHBondContact O-OD1 2.88Å
355K98.7Very high98.6Very high58 Ų5846.9 Ų46.925%0.25225%0.245SC..Hα-helixtrans-56.7-46169.9-69.9176.2173.7-75.30111.4V331 F352 A353 N358 A359V331-K355 HydrophobicContact CG2-CB 3.92Å; V331-K355 WeakPolarHBondContact CG2-O 3.3Å; F352-K355 HydrophobicContact CB-CD 4.25Å; F352-K355 WeakPolarHBondContact O-CB 3.4Å; F352-K355 PolarHBondContact O-N 3.28Å; A353-K355 PolarHBondContact O-N 3.44Å; K355-N358 PolarHBondContact O-N 3.22Å; K355-A359 PolarHBondContact O-N 2.8Å; K355-A359 VanDerWaalsContact O-N 3.13Å
356F98.8Very high98.6Very high0 Ų047.7 Ų47.70%025%0.249CC..Hα-helixtrans-67.2-43.1176.5-172-86000111.3L330 V331 V340 A342 A353 D354 N358 A359 F360 R363 F364L330-F356 HydrophobicContact CB-CD2 4.26Å; L330-F356 HydrophobicContact CD1-CD2 4.47Å; L330-F356 HydrophobicContact CD2-CB 3.82Å; L330-F356 HydrophobicContact CD2-CD2 4.12Å; L330-F356 HydrophobicContact CD2-CG 4.04Å; L330-F356 HydrophobicContact CG-CB 4.08Å; L330-F356 HydrophobicContact CG-CD2 3.55Å; L330-F356 HydrophobicContact CG-CE2 4.18Å; L330-F356 HydrophobicContact CG-CG 4Å; L330-F356 WeakPolarHBondContact O-CD2 3.25Å; V331-F356 HydrophobicContact CG2-CB 4.47Å; V340-F356 HydrophobicContact CG1-CE2 3.97Å; V340-F356 HydrophobicContact CG1-CZ 4.21Å; V340-F356 WeakPolarHBondContact O-CZ 3.44Å; A342-F356 HydrophobicContact CB-CB 4.28Å; A342-F356 HydrophobicContact CB-CD1 3.42Å; A342-F356 VanDerWaalsContact CB-CD1 3.42Å; A342-F356 HydrophobicContact CB-CE1 3.85Å; A342-F356 HydrophobicContact CB-CG 3.89Å; A353-F356 WeakPolarHBondContact O-CB 3.25Å; A353-F356 PolarHBondContact O-N 3.29Å; D354-F356 VanDerWaalsContact C-N 3.32Å; D354-F356 PolarHBondContact O-N 2.87Å; F356-N358 VanDerWaalsContact C-N 3.29Å; F356-N358 PolarHBondContact O-N 2.78Å; F356-A359 PolarHBondContact O-N 3.34Å; F356-F360 HydrophobicContact CD1-CB 4.35Å; F356-F360 HydrophobicContact CD1-CD2 4.37Å; F356-F360 AromaticContact CD2-CD2 3.67Å; F356-F360 HydrophobicContact CD2-CD2 3.67Å; F356-F360 HydrophobicContact CD2-CE2 4.19Å; F356-F360 HydrophobicContact CE1-CB 3.93Å; F356-F360 HydrophobicContact CE1-CD2 4.17Å; F356-F360 AromaticContact CE2-CD2 3.49Å; F356-F360 HydrophobicContact CE2-CD2 3.49Å; F356-F360 VanDerWaalsContact CE2-CD2 3.49Å; F356-F360 HydrophobicContact CE2-CE2 4.02Å; F356-F360 HydrophobicContact CE2-CG 4.47Å; F356-F360 HydrophobicContact CG-CD2 4.16Å; F356-F360 HydrophobicContact CZ-CB 4.13Å; F356-F360 AromaticContact CZ-CD2 3.75Å; F356-F360 HydrophobicContact CZ-CD2 3.75Å; F356-F360 HydrophobicContact CZ-CG 4.32Å; F356-F360 PolarHBondContact O-N 3.46Å; F356-R363 HydrophobicContact CE1-CB 3.82Å; F356-R363 WeakPolarHBondContact CE1-O 3.5Å; F356-R363 HydrophobicContact CZ-CB 4.11Å; F356-F364 HydrophobicContact CD1-CB 4.45Å; F356-F364 HydrophobicContact CD1-CD2 4.39Å
357R98.5Very high98.6Very high115 Ų11544.2 Ų44.243%0.43423%0.23SC..Hα-helixtrans-54.7-45.1174.2-175.3-174.4171.7-161.61.8112.1A353 D354 A359 F360 P361 F364A353-R357 PolarHBondContact O-N 3.35Å; A353-R357 VanDerWaalsContact O-N 3.12Å; D354-R357 WeakPolarHBondContact O-CB 3.31Å; D354-R357 PolarHBondContact O-N 2.8Å; R357-A359 VanDerWaalsContact C-N 3.35Å; R357-F360 CarbonylContact O-C 3.44Å; R357-P361 VanDerWaalsContact O-CA 3.25Å; R357-P361 WeakPolarHBondContact O-CA 3.49Å; R357-P361 WeakPolarHBondContact O-CD 3.45Å; R357-P361 VanDerWaalsContact O-N 3.1Å; R357-F364 HydrophobicContact CB-CB 4.05Å; R357-F364 HydrophobicContact CB-CD1 4.02Å; R357-F364 HydrophobicContact CB-CD2 3.58Å; R357-F364 HydrophobicContact CB-CE1 4.39Å; R357-F364 HydrophobicContact CB-CE2 3.98Å; R357-F364 HydrophobicContact CB-CG 3.6Å; R357-F364 HydrophobicContact CB-CZ 4.36Å; R357-F364 HydrophobicContact CG-CB 4.1Å; R357-F364 HydrophobicContact CG-CD1 3.79Å; R357-F364 HydrophobicContact CG-CD2 4.27Å; R357-F364 HydrophobicContact CG-CE1 4.28Å; R357-F364 HydrophobicContact CG-CG 3.78Å
358N98.7Very high98.6Very high126 Ų12647.7 Ų47.767%0.67424%0.242SC*.Hα-helixtrans-68.4-35.1-178.3-67.4-20.7000111.9D354 K355 F356D354-N358 WeakPolarHBondContact O-CB 3.18Å; D354-N358 PolarHBondContact O-N 3.47Å; D354-N358 PolarHBondContact O-ND2 2.69Å; D354-N358 PolarHBondContact O-OD1 2.88Å; K355-N358 PolarHBondContact O-N 3.22Å; F356-N358 VanDerWaalsContact C-N 3.29Å; F356-N358 PolarHBondContact O-N 2.78Å
359A98.6Very high98.6Very high44 Ų4452.9 Ų52.936%0.36427%0.269SS..Hα-helixtrans-78.5-37.6177.100000113.1V331 K355 F356 R357V331-A359 HydrophobicContact CG1-CB 4.01Å; V331-A359 HydrophobicContact CG2-CB 4.15Å; K355-A359 PolarHBondContact O-N 2.8Å; K355-A359 VanDerWaalsContact O-N 3.13Å; F356-A359 PolarHBondContact O-N 3.34Å; R357-A359 VanDerWaalsContact C-N 3.35Å
360F98.5Very high98.7Very high31 Ų3148.3 Ų48.314%0.13625%0.246CC..  trans-139.966.9-171-48.8-62.6000111.9V331 H335 F356 R357 D362 R363 F364V331-F360 HydrophobicContact CG1-CE2 4.31Å; V331-F360 WeakPolarHBondContact O-CE2 3.38Å; H335-F360 HydrophobicContact CB-CZ 4.46Å; H335-F360 AromaticContact CD2-CZ 3.83Å; H335-F360 AromaticContact CE1-CE1 3.91Å; H335-F360 AromaticContact CE1-CZ 3.59Å; H335-F360 AromaticContact CG-CZ 3.73Å; H335-F360 AromaticContact ND1-CE1 3.95Å; H335-F360 AromaticContact ND1-CZ 3.58Å; H335-F360 AromaticContact NE2-CZ 3.75Å; F356-F360 HydrophobicContact CD1-CB 4.35Å; F356-F360 HydrophobicContact CD1-CD2 4.37Å; F356-F360 AromaticContact CD2-CD2 3.67Å; F356-F360 HydrophobicContact CD2-CD2 3.67Å; F356-F360 HydrophobicContact CD2-CE2 4.19Å; F356-F360 HydrophobicContact CE1-CB 3.93Å; F356-F360 HydrophobicContact CE1-CD2 4.17Å; F356-F360 AromaticContact CE2-CD2 3.49Å; F356-F360 HydrophobicContact CE2-CD2 3.49Å; F356-F360 VanDerWaalsContact CE2-CD2 3.49Å; F356-F360 HydrophobicContact CE2-CE2 4.02Å; F356-F360 HydrophobicContact CE2-CG 4.47Å; F356-F360 HydrophobicContact CG-CD2 4.16Å; F356-F360 HydrophobicContact CZ-CB 4.13Å; F356-F360 AromaticContact CZ-CD2 3.75Å; F356-F360 HydrophobicContact CZ-CD2 3.75Å; F356-F360 HydrophobicContact CZ-CG 4.32Å; F356-F360 PolarHBondContact O-N 3.46Å; R357-F360 CarbonylContact O-C 3.44Å; F360-D362 PolarHBondContact O-N 2.78Å; F360-R363 HydrophobicContact CB-CB 4.18Å; F360-R363 PolarHBondContact O-N 3.23Å; F360-F364 PolarHBondContact O-N 2.87Å
361P98.3Very high98.7Very high80 Ų8047.7 Ų47.752%0.51924%0.24SC..G310 helixtrans-58.2-36.5-174.822.5-33.7000112.9R357 R363 F364R357-P361 VanDerWaalsContact O-CA 3.25Å; R357-P361 WeakPolarHBondContact O-CA 3.49Å; R357-P361 WeakPolarHBondContact O-CD 3.45Å; R357-P361 VanDerWaalsContact O-N 3.1Å; P361-R363 PolarHBondContact O-N 3.41Å; P361-F364 PolarHBondContact O-N 3.37Å
362D98.3Very high98.7Very high140 Ų14049.5 Ų49.575%0.74925%0.248SC*.G310 helixtrans-70.3-9.6179.6-62.7-21.2000113.9F141 F360F141-D362 WeakPolarHBondContact CE1-O 3.4Å; F360-D362 PolarHBondContact O-N 2.78Å
363R98.6Very high98.7Very high35 Ų3547.5 Ų47.513%0.13224%0.239CC..G310 helixtrans-115.67.5179.4-62.9-171.2-69.5157.5-15.3113.1G334 C337 D338 V340 I341 A342 F356 F360 P361G334-R363 PolarHBondContact O-NH1 3.02Å; G334-R363 PolarHBondContact O-NH2 3.07Å; C337-R363 PolarHBondContact O-NH1 3.34Å; D338-R363 VanDerWaalsContact CA-NH1 3.33Å; D338-R363 WeakPolarHBondContact O-CD 3.48Å; D338-R363 PolarHBondContact O-NH1 3.06Å; V340-R363 PolarHBondContact O-NH1 3.35Å; I341-R363 WeakPolarHBondContact CA-O 3.4Å; I341-R363 WeakPolarHBondContact CB-O 3.41Å; I341-R363 HydrophobicContact CG2-CB 4.38Å; A342-R363 PolarHBondContact N-O 3.41Å; F356-R363 HydrophobicContact CE1-CB 3.82Å; F356-R363 WeakPolarHBondContact CE1-O 3.5Å; F356-R363 HydrophobicContact CZ-CB 4.11Å; F360-R363 HydrophobicContact CB-CB 4.18Å; F360-R363 PolarHBondContact O-N 3.23Å; P361-R363 PolarHBondContact O-N 3.41Å
364F98.8Very high98.7Very high13 Ų1347.5 Ų47.56%0.05724%0.239CC..EExtended strand (participates in β ladder)trans-104.5130.4174.4-174.9-85.5000109.7A342 D344 K348 A353 F356 R357 F360 P361 E366A342-F364 HydrophobicContact CB-CD2 3.81Å; A342-F364 HydrophobicContact CB-CE2 4.29Å; A342-F364 CarbonylContact O-C 3.54Å; A342-F364 WeakPolarHBondContact O-CA 3.28Å; D344-F364 HydrophobicContact CB-CE2 4.17Å; D344-F364 HydrophobicContact CB-CZ 3.73Å; K348-F364 HydrophobicContact CB-CE2 4.47Å; K348-F364 HydrophobicContact CB-CZ 3.95Å; K348-F364 HydrophobicContact CD-CE1 4.14Å; K348-F364 HydrophobicContact CD-CZ 3.89Å; A353-F364 HydrophobicContact CB-CE2 4.1Å; F356-F364 HydrophobicContact CD1-CB 4.45Å; F356-F364 HydrophobicContact CD1-CD2 4.39Å; R357-F364 HydrophobicContact CB-CB 4.05Å; R357-F364 HydrophobicContact CB-CD1 4.02Å; R357-F364 HydrophobicContact CB-CD2 3.58Å; R357-F364 HydrophobicContact CB-CE1 4.39Å; R357-F364 HydrophobicContact CB-CE2 3.98Å; R357-F364 HydrophobicContact CB-CG 3.6Å; R357-F364 HydrophobicContact CB-CZ 4.36Å; R357-F364 HydrophobicContact CG-CB 4.1Å; R357-F364 HydrophobicContact CG-CD1 3.79Å; R357-F364 HydrophobicContact CG-CD2 4.27Å; R357-F364 HydrophobicContact CG-CE1 4.28Å; R357-F364 HydrophobicContact CG-CG 3.78Å; F360-F364 PolarHBondContact O-N 2.87Å; P361-F364 PolarHBondContact O-N 3.37Å; F364-E366 HydrophobicContact CE1-CB 4.13Å
365I98.8Very high98.7Very high0 Ų045.6 Ų45.60%023%0.229CC..EExtended strand (participates in β ladder)trans-113.7109.8178-48.2-177.7000107.9Y136 F141 F168 Y172 I341 A342 L343 D344 C367Y136-I365 HydrophobicContact CD1-CD1 3.69Å; Y136-I365 HydrophobicContact CD1-CG1 4.42Å; Y136-I365 HydrophobicContact CE1-CD1 3.53Å; Y136-I365 HydrophobicContact CE1-CG1 3.78Å; Y136-I365 HydrophobicContact CE2-CD1 4.41Å; Y136-I365 HydrophobicContact CE2-CG1 4.39Å; Y136-I365 HydrophobicContact CE2-CG2 4.1Å; Y136-I365 HydrophobicContact CG-CD1 4.24Å; F141-I365 HydrophobicContact CE2-CD1 4.15Å; F141-I365 HydrophobicContact CZ-CD1 4.1Å; F141-I365 HydrophobicContact CZ-CG1 4.39Å; F168-I365 HydrophobicContact CE2-CG2 3.59Å; F168-I365 HydrophobicContact CZ-CG2 3.71Å; Y172-I365 HydrophobicContact CE2-CG2 4.22Å; I341-I365 HydrophobicContact CD1-CD1 4.05Å; A342-I365 PolarHBondContact O-N 2.97Å; L343-I365 WeakPolarHBondContact CA-O 3.47Å; L343-I365 HydrophobicContact CD2-CB 4.17Å; L343-I365 HydrophobicContact CD2-CD1 3.99Å; L343-I365 HydrophobicContact CD2-CG2 4.44Å; L343-I365 HydrophobicContact CG-CB 4Å; L343-I365 HydrophobicContact CG-CD1 4.17Å; L343-I365 HydrophobicContact CG-CG1 4.34Å; D344-I365 PolarHBondContact N-O 2.95Å; I365-C367 PolarHBondContact O-N 3.27Å
366E98.8Very high98.7Very high19 Ų1942.9 Ų42.99%0.08922%0.218CC..EExtended strand (participates in β ladder)trans-75.1116.2170.5179.458.9-114.400109.1Y172 D344 D346 K348 F364 Y368Y172-E366 WeakPolarHBondContact CE2-O 3.44Å; Y172-E366 WeakPolarHBondContact OH-CA 3.46Å; Y172-E366 PolarHBondContact OH-N 2.99Å; Y172-E366 PolarHBondContact OH-O 2.99Å; D344-E366 VanDerWaalsContact O-OE1 3.14Å; D346-E366 WeakPolarHBondContact CA-OE1 3.46Å; D346-E366 PolarHBondContact N-OE1 3.4Å; K348-E366 WeakPolarHBondContact CD-OE2 3.42Å; K348-E366 VanDerWaalsContact CE-OE2 3.29Å; K348-E366 WeakPolarHBondContact CE-OE2 3.31Å; K348-E366 IonicContact NZ-OE2 2.87Å; K348-E366 PolarHBondContact NZ-OE2 3.31Å; F364-E366 HydrophobicContact CE1-CB 4.13Å; E366-Y368 HydrophobicContact CB-CE2 4.23Å; E366-Y368 HydrophobicContact CG-CD1 4.34Å; E366-Y368 HydrophobicContact CG-CD2 3.86Å; E366-Y368 HydrophobicContact CG-CE1 4.2Å; E366-Y368 HydrophobicContact CG-CE2 3.63Å; E366-Y368 HydrophobicContact CG-CG 4.19Å; E366-Y368 WeakPolarHBondContact OE1-CA 3.28Å; E366-Y368 PolarHBondContact OE1-N 2.9Å
367C98.8Very high98.7Very high3 Ų342.9 Ų42.92%0.0222%0.218CC..  trans-95-8.1179.9-71.30000112.8D344 I365 M374D344-C367 WeakPolarHBondContact O-CB 3.16Å; D344-C367 PolarHBondContact O-N 3.12Å; I365-C367 PolarHBondContact O-N 3.27Å; C367-M374 HydrophobicContact CB-CB 3.66Å; C367-M374 HydrophobicContact CB-CG 3.9Å; C367-M374 HydrophobicContact CB-SD 4.48Å
368Y98.7Very high98.8Very high95 Ų9537.4 Ų37.437%0.37320%0.197SC..  trans59-170.3-174.2-59.2-95.1000111.7L171 G345 E366 A370L171-Y368 HydrophobicContact CD2-CD2 3.9Å; L171-Y368 HydrophobicContact CD2-CE2 3.13Å; G345-Y368 CarbonylContact C-O 3.59Å; G345-Y368 WeakPolarHBondContact CA-O 3.47Å; E366-Y368 HydrophobicContact CB-CE2 4.23Å; E366-Y368 HydrophobicContact CG-CD1 4.34Å; E366-Y368 HydrophobicContact CG-CD2 3.86Å; E366-Y368 HydrophobicContact CG-CE1 4.2Å; E366-Y368 HydrophobicContact CG-CE2 3.63Å; E366-Y368 HydrophobicContact CG-CG 4.19Å; E366-Y368 WeakPolarHBondContact OE1-CA 3.28Å; E366-Y368 PolarHBondContact OE1-N 2.9Å; Y368-A370 PolarHBondContact O-N 3.47Å
369I98.8Very high98.8Very high135 Ų13531.7 Ų31.769%0.69217%0.166SC*.SBendtrans-74.174.1-179.2-49.2174.7000109.9D346D346-I369 HydrophobicContact CB-CG1 4.01Å
370A98.9Very high98.8Very high6 Ų629.6 Ų29.65%0.0515%0.149CC..  trans-156.763.5-172.900000111E164 Y368 Q372 N373 M374E164-A370 HydrophobicContact CB-CB 4.16Å; E164-A370 HydrophobicContact CG-CB 3.97Å; Y368-A370 PolarHBondContact O-N 3.47Å; A370-Q372 VanDerWaalsContact C-N 3.26Å; A370-Q372 PolarHBondContact O-N 3.45Å; A370-N373 HydrophobicContact CB-CB 4.31Å; A370-N373 PolarHBondContact O-N 3.03Å; A370-M374 PolarHBondContact O-N 3.43Å
371E98.9Very high98.8Very high18 Ų1828.1 Ų28.18%0.08414%0.143CC..Hα-helixtrans-61.4-33.2-172.5-64.577.9-169.800113.1M374 V375 T393 F397 R400 A401E371-M374 HydrophobicContact CG-CE 4.43Å; E371-M374 PolarHBondContact O-N 2.88Å; E371-V375 WeakPolarHBondContact O-CG2 3.5Å; E371-V375 PolarHBondContact O-N 3.43Å; E371-T393 HydrophobicContact CG-CG2 4.14Å; E371-F397 HydrophobicContact CG-CB 4.07Å; E371-R400 HydrophobicContact CB-CB 4.27Å; E371-R400 HydrophobicContact CB-CG 4.41Å; E371-A401 HydrophobicContact CB-CB 4.14Å; E371-A401 WeakPolarHBondContact O-CB 3.39Å
372Q99Very high98.8Very high38 Ų3824.7 Ų24.718%0.17812%0.121CC..Hα-helixtrans-60.7-52176.2-64.7177.391.400110.2E164 A370 V375 G376 R400 Q404E164-Q372 PolarHBondContact OE1-NE2 3.2Å; E164-Q372 WeakPolarHBondContact OE2-CB 3.46Å; A370-Q372 VanDerWaalsContact C-N 3.26Å; A370-Q372 PolarHBondContact O-N 3.45Å; Q372-V375 PolarHBondContact O-N 3.13Å; Q372-G376 PolarHBondContact O-N 3.5Å; Q372-R400 HydrophobicContact CG-CG 4.3Å; Q372-R400 WeakPolarHBondContact CG-O 3.42Å; Q372-Q404 HydrophobicContact CB-CG 4.41Å
373N98.9Very high98.8Very high1 Ų118.8 Ų18.81%0.0059%0.09CC..Hα-helixtrans-65.8-36.8176.6-177.669.2000112.8S129 E164 A165 F168 A370 V375 G376 V377S129-N373 VanDerWaalsContact CB-OD1 3.26Å; S129-N373 WeakPolarHBondContact CB-OD1 3.38Å; S129-N373 PolarHBondContact OG-OD1 3.26Å; E164-N373 HydrophobicContact CB-CB 3.57Å; E164-N373 WeakPolarHBondContact OE2-CB 3.28Å; E164-N373 PolarHBondContact OE2-N 3.4Å; A165-N373 VanDerWaalsContact CA-OD1 3.27Å; A165-N373 WeakPolarHBondContact CA-OD1 3.47Å; A165-N373 WeakPolarHBondContact CB-OD1 3.3Å; F168-N373 WeakPolarHBondContact CB-ND2 3.38Å; A370-N373 HydrophobicContact CB-CB 4.31Å; A370-N373 PolarHBondContact O-N 3.03Å; N373-V375 PolarHBondContact O-N 2.86Å; N373-G376 PolarHBondContact O-N 3.11Å; N373-V377 WeakPolarHBondContact O-CB 3.42Å; N373-V377 VanDerWaalsContact O-CG2 3.25Å; N373-V377 WeakPolarHBondContact O-CG2 3.49Å; N373-V377 PolarHBondContact O-N 3.31Å
374M98.9Very high98.7Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-55.6-49.5175-180179.460.300111.6L343 C367 A370 E371 V377 A378 C391 T393 F398L343-M374 HydrophobicContact CB-CG 4.02Å; L343-M374 HydrophobicContact CB-SD 4.44Å; C367-M374 HydrophobicContact CB-CB 3.66Å; C367-M374 HydrophobicContact CB-CG 3.9Å; C367-M374 HydrophobicContact CB-SD 4.48Å; A370-M374 PolarHBondContact O-N 3.43Å; E371-M374 HydrophobicContact CG-CE 4.43Å; E371-M374 PolarHBondContact O-N 2.88Å; M374-V377 PolarHBondContact O-N 3.29Å; M374-A378 WeakPolarHBondContact O-CB 3.33Å; M374-A378 PolarHBondContact O-N 3.23Å; M374-C391 HydrophobicContact CE-CB 4.23Å; M374-C391 HydrophobicContact CG-CB 4.35Å; M374-C391 HydrophobicContact SD-CB 4.19Å; M374-T393 HydrophobicContact CE-CG2 3.97Å; M374-F398 HydrophobicContact CE-CE1 4.05Å; M374-F398 HydrophobicContact CE-CZ 4.45Å
375V98.9Very high98.5Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-64.9-43.7178.3174.90000110.8E371 Q372 N373 A378 I379 F398 A401 Q404 L405 I415E371-V375 WeakPolarHBondContact O-CG2 3.5Å; E371-V375 PolarHBondContact O-N 3.43Å; Q372-V375 PolarHBondContact O-N 3.13Å; N373-V375 PolarHBondContact O-N 2.86Å; V375-A378 PolarHBondContact O-N 3.08Å; V375-I379 HydrophobicContact CG1-CD1 3.99Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.37Å; V375-F398 HydrophobicContact CG2-CD1 4.29Å; V375-F398 HydrophobicContact CG2-CE1 4.18Å; V375-A401 HydrophobicContact CB-CB 4.19Å; V375-A401 HydrophobicContact CG2-CB 3.64Å; V375-Q404 HydrophobicContact CB-CB 3.99Å; V375-Q404 HydrophobicContact CG1-CB 3.68Å; V375-L405 HydrophobicContact CG1-CD2 3.85Å; V375-L405 HydrophobicContact CG1-CG 4.15Å; V375-L405 HydrophobicContact CG2-CD2 4.25Å; V375-L405 HydrophobicContact CG2-CG 4.45Å; V375-I415 HydrophobicContact CG1-CD1 4.05Å
376G98.9Very high98.4Very high2 Ų219 Ų192%0.02110%0.096CC..Hα-helixtrans-61.8-44.4177.100000113.4C130 Q372 N373 A378 I379 G380C130-G376 WeakPolarHBondContact CA-O 3.45Å; Q372-G376 PolarHBondContact O-N 3.5Å; N373-G376 PolarHBondContact O-N 3.11Å; G376-A378 VanDerWaalsContact C-N 3.34Å; G376-A378 PolarHBondContact O-N 3.18Å; G376-I379 PolarHBondContact O-N 3.37Å; G376-G380 PolarHBondContact O-N 3.42Å
377V99Very high98.4Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-60.5-44.4175.2168.30000110.3S129 A132 G133 F168 L343 N373 M374 I379 G380 C381S129-V377 WeakPolarHBondContact O-CA 3.43Å; A132-V377 HydrophobicContact CB-CG2 4.36Å; G133-V377 WeakPolarHBondContact CA-O 3.42Å; F168-V377 HydrophobicContact CD1-CG2 4.09Å; F168-V377 HydrophobicContact CD2-CG2 4.26Å; F168-V377 HydrophobicContact CE1-CG1 4.21Å; F168-V377 HydrophobicContact CE1-CG2 3.93Å; F168-V377 HydrophobicContact CE2-CG1 4.16Å; F168-V377 HydrophobicContact CE2-CG2 4.09Å; F168-V377 HydrophobicContact CG-CG2 4.26Å; F168-V377 HydrophobicContact CZ-CB 4.48Å; F168-V377 HydrophobicContact CZ-CG1 3.68Å; F168-V377 HydrophobicContact CZ-CG2 3.94Å; L343-V377 HydrophobicContact CD2-CB 4.32Å; L343-V377 HydrophobicContact CD2-CG1 3.71Å; N373-V377 WeakPolarHBondContact O-CB 3.42Å; N373-V377 VanDerWaalsContact O-CG2 3.25Å; N373-V377 WeakPolarHBondContact O-CG2 3.49Å; N373-V377 PolarHBondContact O-N 3.31Å; M374-V377 PolarHBondContact O-N 3.29Å; V377-I379 PolarHBondContact O-N 2.63Å; V377-G380 WeakPolarHBondContact O-CA 3.42Å; V377-G380 PolarHBondContact O-N 3Å; V377-C381 PolarHBondContact O-N 2.71Å; V377-C381 PolarHBondContact O-SG 3.02Å
378A98.9Very high98.4Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-62.5-42.2177.200000113L343 M374 V375 G376 G380 C381 A382 P389 C391 I415L343-A378 HydrophobicContact CD1-CB 4.14Å; L343-A378 HydrophobicContact CD2-CB 4.13Å; M374-A378 WeakPolarHBondContact O-CB 3.33Å; M374-A378 PolarHBondContact O-N 3.23Å; V375-A378 PolarHBondContact O-N 3.08Å; G376-A378 VanDerWaalsContact C-N 3.34Å; G376-A378 PolarHBondContact O-N 3.18Å; A378-G380 VanDerWaalsContact C-N 3.31Å; A378-G380 PolarHBondContact O-N 2.97Å; A378-C381 PolarHBondContact O-N 2.82Å; A378-A382 WeakPolarHBondContact O-CB 3.21Å; A378-A382 PolarHBondContact O-N 3.13Å; A378-P389 HydrophobicContact CB-CB 4.03Å; A378-P389 HydrophobicContact CB-CG 4.31Å; A378-P389 WeakPolarHBondContact O-CG 3.2Å; A378-C391 WeakPolarHBondContact CB-SG 3.39Å; A378-I415 HydrophobicContact CB-CG2 4.21Å
379I98.9Very high98.4Very high5 Ų513.5 Ų13.53%0.0267%0.074CC..Hα-helixtrans-57.8-47.7173-68.3165.4000109.6V119 V375 G376 V377 C381 A382 T383 Q404 A413 I415V119-I379 HydrophobicContact CG1-CG2 3.71Å; V375-I379 HydrophobicContact CG1-CD1 3.99Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.37Å; G376-I379 PolarHBondContact O-N 3.37Å; V377-I379 PolarHBondContact O-N 2.63Å; I379-C381 PolarHBondContact O-N 3.17Å; I379-A382 PolarHBondContact O-N 3.38Å; I379-T383 VanDerWaalsContact O-CG2 3.23Å; I379-T383 WeakPolarHBondContact O-CG2 3.22Å; I379-T383 PolarHBondContact O-N 3.26Å; I379-Q404 WeakPolarHBondContact CD1-O 3.36Å; I379-A413 HydrophobicContact CB-CB 4.41Å; I379-A413 HydrophobicContact CG1-CB 3.92Å; I379-A413 HydrophobicContact CG2-CB 3.98Å; I379-I415 HydrophobicContact CG1-CD1 4.15Å; I379-I415 HydrophobicContact CG1-CG2 4.21Å
380G98.8Very high98.4Very high0 Ų07.1 Ų7.10%04%0.041CC..Hα-helixtrans-54.5-47.1174.900000113.6C130 G376 V377 A378 A382 T383C130-G380 VanDerWaalsContact O-CA 3.25Å; C130-G380 WeakPolarHBondContact O-CA 3.43Å; G376-G380 PolarHBondContact O-N 3.42Å; V377-G380 WeakPolarHBondContact O-CA 3.42Å; V377-G380 PolarHBondContact O-N 3Å; A378-G380 VanDerWaalsContact C-N 3.31Å; A378-G380 PolarHBondContact O-N 2.97Å; G380-A382 VanDerWaalsContact C-N 3.34Å; G380-A382 PolarHBondContact O-N 3.35Å; G380-T383 PolarHBondContact O-N 3.32Å; G380-T383 PolarHBondContact O-OG1 3.17Å
381C98.8Very high98.4Very high0 Ų06.8 Ų6.80%04%0.039CC..Hα-helixtrans-66.7-31.8177.9-66.30000113.3G133 T137 I341 V377 A378 I379 T383 T387G133-C381 PolarHBondContact O-SG 3.27Å; G133-C381 VanDerWaalsContact O-SG 3.36Å; T137-C381 WeakPolarHBondContact OG1-CA 3.41Å; T137-C381 PolarHBondContact OG1-SG 3.47Å; T137-C381 VanDerWaalsContact OG1-SG 3.38Å; I341-C381 HydrophobicContact CD1-CB 3.79Å; V377-C381 PolarHBondContact O-N 2.71Å; V377-C381 PolarHBondContact O-SG 3.02Å; A378-C381 PolarHBondContact O-N 2.82Å; I379-C381 PolarHBondContact O-N 3.17Å; C381-T383 VanDerWaalsContact C-N 3.34Å; C381-T387 WeakPolarHBondContact CB-OG1 3.49Å; C381-T387 PolarHBondContact O-N 3.44Å; C381-T387 PolarHBondContact O-OG1 3.48Å
382A98.3Very high98.4Very high9 Ų96 Ų67%0.0744%0.035CC..Hα-helixtrans-75.7-21.9178.500000113.3A378 I379 G380 G385 P389 I415A378-A382 WeakPolarHBondContact O-CB 3.21Å; A378-A382 PolarHBondContact O-N 3.13Å; I379-A382 PolarHBondContact O-N 3.38Å; G380-A382 VanDerWaalsContact C-N 3.34Å; G380-A382 PolarHBondContact O-N 3.35Å; A382-G385 PolarHBondContact O-N 3.19Å; A382-P389 HydrophobicContact CB-CG 3.89Å; A382-I415 HydrophobicContact CB-CG2 3.97Å
383T97.9Very high98.4Very high16 Ų164.1 Ų4.110%0.0983%0.026CC..G310 helixtrans-53.2145.6-17764.10000111.9D118 V119 M134 I379 G380 C381 G385 R386D118-T383 HydrophobicContact CB-CG2 4.16Å; V119-T383 HydrophobicContact CG1-CG2 3.81Å; M134-T383 HydrophobicContact CE-CG2 3.66Å; I379-T383 VanDerWaalsContact O-CG2 3.23Å; I379-T383 WeakPolarHBondContact O-CG2 3.22Å; I379-T383 PolarHBondContact O-N 3.26Å; G380-T383 PolarHBondContact O-N 3.32Å; G380-T383 PolarHBondContact O-OG1 3.17Å; C381-T383 VanDerWaalsContact C-N 3.34Å; T383-G385 PolarHBondContact O-N 3.21Å; T383-R386 VanDerWaalsContact O-CG 3.28Å; T383-R386 WeakPolarHBondContact O-CG 3.19Å; T383-R386 PolarHBondContact O-N 3.45Å; T383-R386 VanDerWaalsContact O-N 3.15Å
384R96.1Very high98.4Very high28 Ų284.9 Ų4.911%0.1063%0.029CC..G310 helixtrans53.626.5-179-48.4-175.8-173.1-160.4-6.1114.5Y57 P62 D64 L65 D118 R386Y57-R384 PolarHBondContact OH-NH2 2.72Å; P62-R384 PolarHBondContact O-NH1 2.78Å; P62-R384 PolarHBondContact O-NH2 3.15Å; D64-R384 PolarHBondContact O-NH1 3.2Å; L65-R384 HydrophobicContact CD2-CB 3.85Å; D118-R384 VanDerWaalsContact OD1-CG 3.3Å; D118-R384 WeakPolarHBondContact OD1-CG 3.28Å; D118-R384 IonicContact OD1-CZ 3.76Å; D118-R384 IonicContact OD1-NE 2.8Å; D118-R384 PolarHBondContact OD1-NE 3.33Å; D118-R384 IonicContact OD1-NH2 3.94Å; D118-R384 IonicContact OD2-CZ 3.81Å; D118-R384 IonicContact OD2-NE 3.19Å; D118-R384 PolarHBondContact OD2-NE 3.12Å; D118-R384 IonicContact OD2-NH2 2.74Å; D118-R384 PolarHBondContact OD2-NH2 2.81Å; R384-R386 HydrophobicContact CB-CG 4.41Å; R384-R386 PolarHBondContact O-N 3.35Å
385G95.6Very high98.4Very high18 Ų184.9 Ų4.919%0.1863%0.029CC..G310 helixtrans59.931.6179.400000112.9I301 A382 T383I301-G385 WeakPolarHBondContact CD1-O 3.1Å; I301-G385 WeakPolarHBondContact CG1-O 3.35Å; I301-G385 PolarHBondContact N-O 2.86Å; A382-G385 PolarHBondContact O-N 3.19Å; T383-G385 PolarHBondContact O-N 3.21Å
386R97.4Very high98.4Very high6 Ų65.6 Ų5.62%0.0233%0.034CC..  trans-74-42.2-178.3-62.5-38.7-68145.67.1111.5T137 D142 S299 I301 R339 T383 R384T137-R386 HydrophobicContact CG2-CB 3.71Å; T137-R386 HydrophobicContact CG2-CG 4.08Å; D142-R386 VanDerWaalsContact CG-NH2 3.33Å; D142-R386 IonicContact OD1-CZ 2.72Å; D142-R386 IonicContact OD1-NE 3.15Å; D142-R386 PolarHBondContact OD1-NE 2.95Å; D142-R386 IonicContact OD1-NH2 3.27Å; D142-R386 PolarHBondContact OD1-NH2 2.58Å; D142-R386 IonicContact OD2-CZ 3.58Å; D142-R386 IonicContact OD2-NE 3.73Å; D142-R386 PolarHBondContact OD2-NE 3.42Å; D142-R386 IonicContact OD2-NH2 2.64Å; D142-R386 PolarHBondContact OD2-NH2 3.41Å; S299-R386 VanDerWaalsContact C-NH1 3.32Å; S299-R386 PolarHBondContact O-NH1 3.18Å; I301-R386 WeakPolarHBondContact CD1-O 3.47Å; R339-R386 PolarHBondContact NE-O 3.3Å; R339-R386 PolarHBondContact NH2-O 3.17Å; T383-R386 VanDerWaalsContact O-CG 3.28Å; T383-R386 WeakPolarHBondContact O-CG 3.19Å; T383-R386 PolarHBondContact O-N 3.45Å; T383-R386 VanDerWaalsContact O-N 3.15Å; R384-R386 HydrophobicContact CB-CG 4.41Å; R384-R386 PolarHBondContact O-N 3.35Å
387T98.2Very high98.4Very high1 Ų18.2 Ų8.21%0.0065%0.045CC..  trans-136.3166.7-177.2670000111.8T137 F141 R339 I341 C381 P389T137-T387 HydrophobicContact CG2-CG2 4.29Å; F141-T387 HydrophobicContact CD2-CG2 3.79Å; F141-T387 HydrophobicContact CE2-CG2 4.25Å; R339-T387 WeakPolarHBondContact O-CA 3.35Å; I341-T387 HydrophobicContact CD1-CG2 4.12Å; I341-T387 HydrophobicContact CG2-CG2 4.34Å; C381-T387 WeakPolarHBondContact CB-OG1 3.49Å; C381-T387 PolarHBondContact O-N 3.44Å; C381-T387 PolarHBondContact O-OG1 3.48Å; T387-P389 WeakPolarHBondContact O-CD 3.49Å
388V98.3Very high98.4Very high0 Ų08.2 Ų8.20%05%0.045CC..EExtended strand (participates in β ladder)trans-110.686.4167.3-165.60000108I301 F303 R339 V340 I341 F390 K416I301-V388 HydrophobicContact CD1-CG2 3.75Å; I301-V388 HydrophobicContact CG2-CG2 4.32Å; F303-V388 HydrophobicContact CD1-CG2 4.25Å; F303-V388 HydrophobicContact CE1-CG2 3.73Å; R339-V388 PolarHBondContact O-N 3.04Å; V340-V388 HydrophobicContact CG2-CB 4.3Å; I341-V388 PolarHBondContact N-O 2.89Å; V388-F390 HydrophobicContact CG1-CE2 3.98Å; V388-K416 HydrophobicContact CG1-CG 4.48Å
389P98.8Very high98.3Very high0 Ų010.7 Ų10.70%06%0.06CC..EExtended strand (participates in β ladder)trans-81.6129.8-174.230.9-34000112.4I341 L343 A378 A382 T387 I415 K416I341-P389 HydrophobicContact CD1-CB 4.07Å; I341-P389 HydrophobicContact CG1-CB 3.86Å; L343-P389 HydrophobicContact CD1-CB 3.62Å; A378-P389 HydrophobicContact CB-CB 4.03Å; A378-P389 HydrophobicContact CB-CG 4.31Å; A378-P389 WeakPolarHBondContact O-CG 3.2Å; A382-P389 HydrophobicContact CB-CG 3.89Å; T387-P389 WeakPolarHBondContact O-CD 3.49Å; P389-I415 HydrophobicContact CG-CB 4.15Å; P389-I415 HydrophobicContact CG-CG2 3.76Å; P389-K416 PolarHBondContact O-N 3.22Å
390F98.9Very high98.3Very high1 Ų118 Ų180%0.0049%0.087CC..EExtended strand (participates in β ladder)trans-107111.1168.2-77.3-101.2000110.2Y326 L330 L333 V340 I341 A342 L343 V388 K416 V463 V466 A467Y326-F390 HydrophobicContact CE2-CD1 4.16Å; L330-F390 HydrophobicContact CD1-CB 3.83Å; L330-F390 HydrophobicContact CD1-CD1 3.94Å; L330-F390 HydrophobicContact CD1-CD2 3.7Å; L330-F390 HydrophobicContact CD1-CE1 4.42Å; L330-F390 HydrophobicContact CD1-CE2 4.21Å; L330-F390 HydrophobicContact CD1-CG 3.54Å; L330-F390 HydrophobicContact CD2-CB 4.47Å; L333-F390 HydrophobicContact CD2-CE2 3.56Å; L333-F390 HydrophobicContact CD2-CZ 3.67Å; V340-F390 HydrophobicContact CG1-CD2 4.22Å; V340-F390 HydrophobicContact CG1-CE2 4.38Å; I341-F390 PolarHBondContact O-N 3.33Å; A342-F390 CarbonylContact C-O 3.5Å; A342-F390 WeakPolarHBondContact CA-O 3.29Å; L343-F390 PolarHBondContact N-O 3.17Å; V388-F390 HydrophobicContact CG1-CE2 3.98Å; F390-K416 CarbonylContact C-O 3.59Å; F390-K416 VanDerWaalsContact CA-O 3.25Å; F390-K416 WeakPolarHBondContact CA-O 3.31Å; F390-K416 HydrophobicContact CB-CB 4.48Å; F390-K416 HydrophobicContact CD1-CB 3.42Å; F390-K416 VanDerWaalsContact CD1-CB 3.42Å; F390-K416 HydrophobicContact CD1-CG 4.1Å; F390-K416 HydrophobicContact CD2-CB 4.15Å; F390-K416 HydrophobicContact CD2-CG 4.09Å; F390-K416 HydrophobicContact CE1-CB 3.52Å; F390-K416 HydrophobicContact CE1-CG 3.84Å; F390-K416 HydrophobicContact CE2-CB 4.23Å; F390-K416 HydrophobicContact CE2-CG 3.83Å; F390-K416 HydrophobicContact CG-CB 3.76Å; F390-K416 HydrophobicContact CG-CG 4.23Å; F390-K416 HydrophobicContact CZ-CB 3.95Å; F390-K416 HydrophobicContact CZ-CG 3.71Å; F390-V463 HydrophobicContact CE1-CG1 4Å; F390-V463 HydrophobicContact CZ-CG1 4.17Å; F390-V466 HydrophobicContact CE1-CG2 3.71Å; F390-V466 HydrophobicContact CZ-CG2 4.03Å; F390-A467 HydrophobicContact CE2-CB 4.41Å; F390-A467 HydrophobicContact CZ-CB 4.06Å
391C98.9Very high98.4Very high0 Ų018 Ų180%09%0.087CC..EExtended strand (participates in β ladder)trans-91.1133.7172.2-55.60000110.5L343 M374 A378 F398 K416 C417 C418L343-C391 CarbonylContact O-C 3.51Å; L343-C391 VanDerWaalsContact O-CA 3.27Å; L343-C391 WeakPolarHBondContact O-CA 3.39Å; M374-C391 HydrophobicContact CE-CB 4.23Å; M374-C391 HydrophobicContact CG-CB 4.35Å; M374-C391 HydrophobicContact SD-CB 4.19Å; A378-C391 WeakPolarHBondContact CB-SG 3.39Å; C391-F398 HydrophobicContact CB-CE1 4.34Å; C391-F398 HydrophobicContact CB-CZ 4.3Å; C391-K416 PolarHBondContact N-O 3.17Å; C391-C417 CarbonylContact O-C 3.55Å; C391-C417 WeakPolarHBondContact O-CA 3.49Å; C391-C418 PolarHBondContact O-N 2.85Å
392S98.9Very high98.4Very high0 Ų022.4 Ų22.40%010%0.104CC..EExtended strand (participates in β ladder)trans-128.7133.9174.849.40000112.8L343 D344 G345 A353 C418L343-S392 PolarHBondContact O-N 2.89Å; L343-S392 PolarHBondContact O-OG 3.2Å; D344-S392 WeakPolarHBondContact CA-O 3.46Å; D344-S392 VanDerWaalsContact CG-O 3.31Å; D344-S392 WeakPolarHBondContact OD2-CB 3.33Å; D344-S392 PolarHBondContact OD2-OG 2.79Å; G345-S392 PolarHBondContact N-O 3.23Å; A353-S392 VanDerWaalsContact CB-OG 3.29Å; A353-S392 WeakPolarHBondContact CB-OG 3.35Å; S392-C418 WeakPolarHBondContact CA-O 3.48Å
393T98.9Very high98.4Very high0 Ų024.6 Ų24.60%012%0.115CC..EExtended strand (participates in β ladder)trans-153.2-170.1166.1-174.50000109E371 M374 F397 F398 C418 S420E371-T393 HydrophobicContact CG-CG2 4.14Å; M374-T393 HydrophobicContact CE-CG2 3.97Å; T393-F397 HydrophobicContact CG2-CB 4.18Å; T393-F398 HydrophobicContact CG2-CD1 4.02Å; T393-F398 HydrophobicContact CG2-CD2 3.74Å; T393-F398 HydrophobicContact CG2-CE1 3.92Å; T393-F398 HydrophobicContact CG2-CE2 3.64Å; T393-F398 HydrophobicContact CG2-CG 3.93Å; T393-F398 HydrophobicContact CG2-CZ 3.73Å; T393-C418 PolarHBondContact N-O 2.84Å; T393-S420 PolarHBondContact O-N 2.67Å; T393-S420 PolarHBondContact O-OG 3.43Å
394F98.8Very high98.4Very high17 Ų1724.2 Ų24.28%0.07511%0.112CC..EExtended strand (participates in β ladder)trans-71141.9166.9-65.76.2000108.6V347 T396 F397 F398 S420 H421 Q433V347-F394 HydrophobicContact CB-CD1 4.34Å; V347-F394 HydrophobicContact CB-CE1 4.01Å; V347-F394 HydrophobicContact CG1-CD1 4.45Å; V347-F394 HydrophobicContact CG1-CE1 4.12Å; V347-F394 HydrophobicContact CG2-CD1 4.34Å; V347-F394 HydrophobicContact CG2-CE1 4.48Å; F394-T396 HydrophobicContact CB-CG2 4.13Å; F394-T396 PolarHBondContact O-N 3.01Å; F394-T396 VanDerWaalsContact O-N 3.13Å; F394-F397 HydrophobicContact CB-CD2 3.66Å; F394-F397 HydrophobicContact CB-CE2 3.9Å; F394-F397 HydrophobicContact CB-CG 4.26Å; F394-F397 HydrophobicContact CD2-CD2 4.21Å; F394-F397 AromaticContact CD2-CE2 3.55Å; F394-F397 HydrophobicContact CD2-CE2 3.55Å; F394-F397 HydrophobicContact CD2-CZ 4.09Å; F394-F397 HydrophobicContact CE2-CE2 4.27Å; F394-F397 HydrophobicContact CG-CD2 4.03Å; F394-F397 AromaticContact CG-CE2 3.84Å; F394-F397 HydrophobicContact CG-CE2 3.84Å; F394-F397 PolarHBondContact O-N 3.28Å; F394-F398 PolarHBondContact O-N 3.16Å; F394-S420 CarbonylContact C-O 3.19Å; F394-S420 WeakPolarHBondContact CA-O 3.44Å; F394-S420 WeakPolarHBondContact CD1-OG 3.32Å; F394-H421 HydrophobicContact CB-CB 4.27Å; F394-H421 HydrophobicContact CD1-CB 4.2Å; F394-H421 AromaticContact CD1-CG 3.86Å; F394-H421 AromaticContact CD1-ND1 3.45Å; F394-H421 WeakPolarHBondContact CD1-ND1 3.48Å; F394-H421 HydrophobicContact CD2-CB 4Å; F394-H421 AromaticContact CE1-CE1 3.38Å; F394-H421 WeakPolarHBondContact CE1-CE1 3.45Å; F394-H421 AromaticContact CE1-CG 3.81Å; F394-H421 AromaticContact CE1-ND1 3.3Å; F394-H421 VanDerWaalsContact CE1-ND1 3.3Å; F394-H421 WeakPolarHBondContact CE1-ND1 3.39Å; F394-H421 AromaticContact CE1-NE2 3.96Å; F394-H421 HydrophobicContact CE2-CB 4.39Å; F394-H421 AromaticContact CE2-CD2 3.94Å; F394-H421 AromaticContact CE2-CG 3.98Å; F394-H421 HydrophobicContact CG-CB 3.9Å; F394-H421 AromaticContact CG-CG 3.99Å; F394-H421 AromaticContact CZ-CD2 3.8Å; F394-H421 AromaticContact CZ-CE1 3.64Å; F394-H421 AromaticContact CZ-CG 3.87Å; F394-H421 AromaticContact CZ-ND1 3.77Å; F394-H421 AromaticContact CZ-NE2 3.73Å; F394-Q433 HydrophobicContact CD2-CB 4.23Å; F394-Q433 HydrophobicContact CD2-CG 4.04Å; F394-Q433 HydrophobicContact CE2-CB 4.4Å; F394-Q433 HydrophobicContact CE2-CG 3.95Å
395A98.8Very high98.6Very high0 Ų022.9 Ų22.90%011%0.107CC..G310 helixtrans-53.5-38.5-177.400000111.9F397 F398 S420 A422 D438 F474A395-F397 VanDerWaalsContact C-N 3.34Å; A395-F397 PolarHBondContact O-N 3.49Å; A395-F398 PolarHBondContact O-N 3.21Å; A395-S420 WeakPolarHBondContact CB-O 3.3Å; A395-S420 PolarHBondContact N-O 3.45Å; A395-A422 HydrophobicContact CB-CB 4.26Å; A395-D438 HydrophobicContact CB-CB 4.05Å; A395-F474 HydrophobicContact CB-CZ 4.28Å
396T98.7Very high98.7Very high15 Ų1526.6 Ų26.69%0.09212%0.115CC..G310 helixtrans-62.6-35175.5-171.80000113.2F394 F398 T399 Q433F394-T396 HydrophobicContact CB-CG2 4.13Å; F394-T396 PolarHBondContact O-N 3.01Å; F394-T396 VanDerWaalsContact O-N 3.13Å; T396-F398 VanDerWaalsContact C-N 3.3Å; T396-F398 PolarHBondContact O-N 3.16Å; T396-T399 VanDerWaalsContact O-CB 3.28Å; T396-T399 WeakPolarHBondContact O-CB 3.41Å; T396-T399 VanDerWaalsContact O-CG2 3.22Å; T396-T399 WeakPolarHBondContact O-CG2 3.47Å; T396-T399 PolarHBondContact O-N 2.88Å; T396-T399 VanDerWaalsContact O-N 3.08Å; T396-T399 PolarHBondContact O-OG1 3.15Å; T396-Q433 WeakPolarHBondContact CG2-O 3.14Å
397F98.8Very high98.8Very high56 Ų5626.7 Ų26.725%0.24612%0.116CC..G310 helixtrans-78.3-13.6-177.1-57.6-32.8000113.2E371 T393 F394 A395 T399 R400 Q433E371-F397 HydrophobicContact CG-CB 4.07Å; T393-F397 HydrophobicContact CG2-CB 4.18Å; F394-F397 HydrophobicContact CB-CD2 3.66Å; F394-F397 HydrophobicContact CB-CE2 3.9Å; F394-F397 HydrophobicContact CB-CG 4.26Å; F394-F397 HydrophobicContact CD2-CD2 4.21Å; F394-F397 AromaticContact CD2-CE2 3.55Å; F394-F397 HydrophobicContact CD2-CE2 3.55Å; F394-F397 HydrophobicContact CD2-CZ 4.09Å; F394-F397 HydrophobicContact CE2-CE2 4.27Å; F394-F397 HydrophobicContact CG-CD2 4.03Å; F394-F397 AromaticContact CG-CE2 3.84Å; F394-F397 HydrophobicContact CG-CE2 3.84Å; F394-F397 PolarHBondContact O-N 3.28Å; A395-F397 VanDerWaalsContact C-N 3.34Å; A395-F397 PolarHBondContact O-N 3.49Å; F397-T399 PolarHBondContact O-N 3.17Å; F397-R400 WeakPolarHBondContact O-CB 3.49Å; F397-R400 PolarHBondContact O-N 3.38Å; F397-Q433 HydrophobicContact CZ-CG 4.32Å
398F98.9Very high98.8Very high0 Ų026.6 Ų26.60%012%0.116CC..G310 helixtrans-63.5-20.1165.3-79.1-63000112.8M374 V375 C391 T393 F394 A395 T396 R400 A401 Y402 L405 C417 M441 F442 F474M374-F398 HydrophobicContact CE-CE1 4.05Å; M374-F398 HydrophobicContact CE-CZ 4.45Å; V375-F398 HydrophobicContact CG2-CD1 4.29Å; V375-F398 HydrophobicContact CG2-CE1 4.18Å; C391-F398 HydrophobicContact CB-CE1 4.34Å; C391-F398 HydrophobicContact CB-CZ 4.3Å; T393-F398 HydrophobicContact CG2-CD1 4.02Å; T393-F398 HydrophobicContact CG2-CD2 3.74Å; T393-F398 HydrophobicContact CG2-CE1 3.92Å; T393-F398 HydrophobicContact CG2-CE2 3.64Å; T393-F398 HydrophobicContact CG2-CG 3.93Å; T393-F398 HydrophobicContact CG2-CZ 3.73Å; F394-F398 PolarHBondContact O-N 3.16Å; A395-F398 PolarHBondContact O-N 3.21Å; T396-F398 VanDerWaalsContact C-N 3.3Å; T396-F398 PolarHBondContact O-N 3.16Å; F398-R400 PolarHBondContact O-N 3.29Å; F398-A401 CarbonylContact O-C 3.58Å; F398-A401 PolarHBondContact O-N 3.4Å; F398-Y402 PolarHBondContact O-N 3.44Å; F398-L405 HydrophobicContact CB-CD1 4.26Å; F398-L405 HydrophobicContact CD1-CD1 4.28Å; F398-C417 HydrophobicContact CE1-CB 4.15Å; F398-C417 HydrophobicContact CE2-CB 4.16Å; F398-C417 HydrophobicContact CZ-CB 3.79Å; F398-M441 HydrophobicContact CB-CE 3.58Å; F398-F442 HydrophobicContact CB-CE2 4.11Å; F398-F442 HydrophobicContact CB-CZ 4.21Å; F398-F442 HydrophobicContact CD1-CZ 4.44Å; F398-F442 HydrophobicContact CD2-CE2 4.31Å; F398-F442 HydrophobicContact CD2-CZ 4.26Å; F398-F442 HydrophobicContact CG-CE2 4.28Å; F398-F442 HydrophobicContact CG-CZ 4.07Å; F398-F474 HydrophobicContact CD2-CE2 4.36Å
399T98.8Very high98.8Very high53 Ų5327.5 Ų27.533%0.32512%0.123SC..G310 helixtrans-60.9-29.417067.10000112.2T396 F397 A401 Y402 E437 M441T396-T399 VanDerWaalsContact O-CB 3.28Å; T396-T399 WeakPolarHBondContact O-CB 3.41Å; T396-T399 VanDerWaalsContact O-CG2 3.22Å; T396-T399 WeakPolarHBondContact O-CG2 3.47Å; T396-T399 PolarHBondContact O-N 2.88Å; T396-T399 VanDerWaalsContact O-N 3.08Å; T396-T399 PolarHBondContact O-OG1 3.15Å; F397-T399 PolarHBondContact O-N 3.17Å; T399-A401 PolarHBondContact O-N 3.28Å; T399-Y402 PolarHBondContact O-N 3.4Å; T399-E437 HydrophobicContact CG2-CG 3.89Å; T399-M441 HydrophobicContact CG2-SD 4.08Å
400R98.9Very high98.8Very high158 Ų15831 Ų3160%0.59614%0.141SC*.G310 helixtrans-63.8-27.1173.2-174.661.567.4-131.6-3112.1E371 Q372 F397 F398E371-R400 HydrophobicContact CB-CB 4.27Å; E371-R400 HydrophobicContact CB-CG 4.41Å; Q372-R400 HydrophobicContact CG-CG 4.3Å; Q372-R400 WeakPolarHBondContact CG-O 3.42Å; F397-R400 WeakPolarHBondContact O-CB 3.49Å; F397-R400 PolarHBondContact O-N 3.38Å; F398-R400 PolarHBondContact O-N 3.29Å
401A98.9Very high98.7Very high0 Ų031.4 Ų31.40%014%0.144CC..G310 helixtrans-111.318.1-177.200000113.4E371 V375 F398 T399 D403 Q404 L405E371-A401 HydrophobicContact CB-CB 4.14Å; E371-A401 WeakPolarHBondContact O-CB 3.39Å; V375-A401 HydrophobicContact CB-CB 4.19Å; V375-A401 HydrophobicContact CG2-CB 3.64Å; F398-A401 CarbonylContact O-C 3.58Å; F398-A401 PolarHBondContact O-N 3.4Å; T399-A401 PolarHBondContact O-N 3.28Å; A401-D403 VanDerWaalsContact C-N 3.31Å; A401-D403 PolarHBondContact O-N 2.63Å; A401-Q404 VanDerWaalsContact CA-OE1 3.31Å; A401-Q404 PolarHBondContact O-N 3.07Å; A401-Q404 VanDerWaalsContact O-N 3.12Å; A401-Q404 PolarHBondContact O-OE1 2.88Å; A401-L405 WeakPolarHBondContact O-CG 3.37Å; A401-L405 PolarHBondContact O-N 3.35Å
402Y98.9Very high98.6Very high92 Ų9237.7 Ų37.736%0.36117%0.173SC..Hα-helixtrans-61.9-37.8-172.5-177.5-150.1000112.6F398 T399 Q404 L405 R406 M441 S444 L445F398-Y402 PolarHBondContact O-N 3.44Å; T399-Y402 PolarHBondContact O-N 3.4Å; Y402-Q404 VanDerWaalsContact C-N 3.33Å; Y402-Q404 PolarHBondContact O-N 3.09Å; Y402-L405 PolarHBondContact O-N 2.93Å; Y402-R406 WeakPolarHBondContact O-CB 3.34Å; Y402-R406 PolarHBondContact O-N 3.25Å; Y402-M441 HydrophobicContact CD1-CG 4.22Å; Y402-M441 HydrophobicContact CD2-CG 3.24Å; Y402-M441 HydrophobicContact CD2-SD 3.75Å; Y402-M441 HydrophobicContact CE1-CG 4.31Å; Y402-M441 HydrophobicContact CE2-CB 4.44Å; Y402-M441 HydrophobicContact CE2-CG 3.36Å; Y402-M441 HydrophobicContact CE2-SD 4.45Å; Y402-M441 HydrophobicContact CG-CG 3.72Å; Y402-M441 HydrophobicContact CG-SD 3.79Å; Y402-S444 PolarHBondContact OH-OG 3.08Å; Y402-L445 HydrophobicContact CD2-CD2 4.46Å; Y402-L445 HydrophobicContact CE2-CD2 3.83Å; Y402-L445 HydrophobicContact CE2-CG 4.46Å
403D98.9Very high98.6Very high56 Ų5638 Ų3830%0.29918%0.177SC..Hα-helixtrans-68.5-33.1177.4-166.939.5000112.4S123 Q126 A401 R406 M407S123-D403 WeakPolarHBondContact CB-OD2 3.23Å; S123-D403 PolarHBondContact OG-OD2 2.76Å; Q126-D403 VanDerWaalsContact NE2-CG 3.32Å; Q126-D403 PolarHBondContact NE2-O 2.87Å; Q126-D403 PolarHBondContact NE2-OD2 3.38Å; A401-D403 VanDerWaalsContact C-N 3.31Å; A401-D403 PolarHBondContact O-N 2.63Å; D403-R406 PolarHBondContact O-N 3.16Å; D403-R406 IonicContact OD1-CZ 3.86Å; D403-R406 IonicContact OD1-NE 3.95Å; D403-R406 PolarHBondContact OD1-NE 2.89Å; D403-R406 IonicContact OD1-NH2 3.24Å; D403-R406 PolarHBondContact OD1-NH2 3.27Å; D403-M407 WeakPolarHBondContact O-CB 3.26Å; D403-M407 WeakPolarHBondContact O-CG 3.14Å; D403-M407 PolarHBondContact O-N 3.34Å
404Q98.9Very high98.5Very high7 Ų739.2 Ų39.23%0.03318%0.183CC..Hα-helixtrans-68.8-38.7172.6-68.974.815.900111.4Q126 Q372 V375 I379 A401 Y402 G408Q126-Q404 HydrophobicContact CG-CG 4.24Å; Q372-Q404 HydrophobicContact CB-CG 4.41Å; V375-Q404 HydrophobicContact CB-CB 3.99Å; V375-Q404 HydrophobicContact CG1-CB 3.68Å; I379-Q404 WeakPolarHBondContact CD1-O 3.36Å; A401-Q404 VanDerWaalsContact CA-OE1 3.31Å; A401-Q404 PolarHBondContact O-N 3.07Å; A401-Q404 VanDerWaalsContact O-N 3.12Å; A401-Q404 PolarHBondContact O-OE1 2.88Å; Y402-Q404 VanDerWaalsContact C-N 3.33Å; Y402-Q404 PolarHBondContact O-N 3.09Å; Q404-G408 PolarHBondContact O-N 2.81Å
405L98.8Very high98.5Very high0 Ų038.4 Ų38.40%018%0.179CC..Hα-helixtrans-64.8-42.1173.2-69.1169.6000111.7V375 F398 A401 Y402 G408 A409 I415 M441 F442 L445 I472V375-L405 HydrophobicContact CG1-CD2 3.85Å; V375-L405 HydrophobicContact CG1-CG 4.15Å; V375-L405 HydrophobicContact CG2-CD2 4.25Å; V375-L405 HydrophobicContact CG2-CG 4.45Å; F398-L405 HydrophobicContact CB-CD1 4.26Å; F398-L405 HydrophobicContact CD1-CD1 4.28Å; A401-L405 WeakPolarHBondContact O-CG 3.37Å; A401-L405 PolarHBondContact O-N 3.35Å; Y402-L405 PolarHBondContact O-N 2.93Å; L405-G408 PolarHBondContact O-N 3.28Å; L405-A409 PolarHBondContact O-N 3.4Å; L405-I415 HydrophobicContact CD2-CD1 4.24Å; L405-M441 HydrophobicContact CD1-CE 4.15Å; L405-F442 HydrophobicContact CD1-CE1 3.76Å; L405-F442 HydrophobicContact CD1-CE2 4.38Å; L405-F442 HydrophobicContact CD1-CZ 3.59Å; L405-F442 HydrophobicContact CD2-CE1 4.01Å; L405-F442 HydrophobicContact CD2-CZ 4.37Å; L405-F442 HydrophobicContact CG-CE1 4.48Å; L405-L445 HydrophobicContact CB-CD1 3.92Å; L405-I472 HydrophobicContact CD2-CG2 4.16Å
406R98.8Very high98.5Very high96 Ų9638.4 Ų38.436%0.36218%0.179SC..Hα-helixtrans-60.8-49.1175.2-174-169.26878.61.7111.5Y402 D403 G408 A409 I410 L445Y402-R406 WeakPolarHBondContact O-CB 3.34Å; Y402-R406 PolarHBondContact O-N 3.25Å; D403-R406 PolarHBondContact O-N 3.16Å; D403-R406 IonicContact OD1-CZ 3.86Å; D403-R406 IonicContact OD1-NE 3.95Å; D403-R406 PolarHBondContact OD1-NE 2.89Å; D403-R406 IonicContact OD1-NH2 3.24Å; D403-R406 PolarHBondContact OD1-NH2 3.27Å; R406-G408 VanDerWaalsContact C-N 3.28Å; R406-G408 PolarHBondContact O-N 2.97Å; R406-A409 PolarHBondContact O-N 3.16Å; R406-I410 VanDerWaalsContact NH1-CD1 3.29Å; R406-I410 WeakPolarHBondContact O-CG1 3.37Å; R406-I410 PolarHBondContact O-N 2.82Å; R406-I410 VanDerWaalsContact O-N 3.16Å; R406-L445 HydrophobicContact CB-CD2 4.18Å
407M98.7Very high98.5Very high8 Ų837.8 Ų37.84%0.03918%0.176CC..Hα-helixtrans-67.5-29.2175.4-72.1-58.2-59.700112.3A120 D403 I410 S411A120-M407 VanDerWaalsContact C-CE 3.4Å; A120-M407 HydrophobicContact CB-CE 3.6Å; A120-M407 WeakPolarHBondContact O-CE 3.14Å; D403-M407 WeakPolarHBondContact O-CB 3.26Å; D403-M407 WeakPolarHBondContact O-CG 3.14Å; D403-M407 PolarHBondContact O-N 3.34Å; M407-I410 PolarHBondContact O-N 2.96Å; M407-I410 HydrophobicContact SD-CD1 3.85Å; M407-S411 VanDerWaalsContact O-CB 3.28Å; M407-S411 WeakPolarHBondContact O-CB 3.34Å; M407-S411 PolarHBondContact O-N 2.76Å; M407-S411 PolarHBondContact O-OG 3.3Å
408G98.5Very high98.5Very high0 Ų035.1 Ų35.10%016%0.164CC..Hα-helixtrans-61.4-44.7170.500000112.3Q404 L405 R406 S411 E412 A413Q404-G408 PolarHBondContact O-N 2.81Å; L405-G408 PolarHBondContact O-N 3.28Å; R406-G408 VanDerWaalsContact C-N 3.28Å; R406-G408 PolarHBondContact O-N 2.97Å; G408-S411 CarbonylContact O-C 3.59Å; G408-S411 WeakPolarHBondContact O-CA 3.48Å; G408-S411 WeakPolarHBondContact O-CB 3.36Å; G408-S411 PolarHBondContact O-N 3.13Å; G408-S411 VanDerWaalsContact O-N 3.13Å; G408-E412 PolarHBondContact O-N 3.18Å; G408-E412 VanDerWaalsContact O-N 3.16Å; G408-A413 VanDerWaalsContact O-CB 3.25Å; G408-A413 WeakPolarHBondContact O-CB 3.38Å; G408-A413 PolarHBondContact O-N 3.26Å
409A98.4Very high98.5Very high19 Ų1935.1 Ų35.116%0.15716%0.164CC..Hα-helixtrans-62.5-41.9173.800000112.1L405 R406 S411 E412 L445 I472L405-A409 PolarHBondContact O-N 3.4Å; R406-A409 PolarHBondContact O-N 3.16Å; A409-S411 PolarHBondContact O-N 3.45Å; A409-E412 PolarHBondContact O-N 3.22Å; A409-E412 VanDerWaalsContact O-N 3.08Å; A409-L445 HydrophobicContact CB-CB 4.47Å; A409-I472 HydrophobicContact CB-CG1 4.18Å
410I97.9Very high98.5Very high72 Ų7232.6 Ų32.637%0.36915%0.148SC..Hα-helixtrans-64.6-31.2173.8-63.6167.5000111.4T111 A120 R406 M407 E412T111-I410 HydrophobicContact CG2-CG2 4.37Å; A120-I410 HydrophobicContact CB-CB 4.36Å; A120-I410 HydrophobicContact CB-CG2 3.67Å; R406-I410 VanDerWaalsContact NH1-CD1 3.29Å; R406-I410 WeakPolarHBondContact O-CG1 3.37Å; R406-I410 PolarHBondContact O-N 2.82Å; R406-I410 VanDerWaalsContact O-N 3.16Å; M407-I410 PolarHBondContact O-N 2.96Å; M407-I410 HydrophobicContact SD-CD1 3.85Å; I410-E412 PolarHBondContact O-N 2.97Å
411S98.2Very high98.5Very high10 Ų1025.3 Ų25.37%0.0712%0.121CC..THydrogen-bonded Turntrans-81.35175.4-54.80000113.2P112 A120 M407 G408 A409 A413P112-S411 WeakPolarHBondContact CG-O 3.47Å; A120-S411 WeakPolarHBondContact CB-OG 3.22Å; A120-S411 PolarHBondContact N-OG 3.42Å; M407-S411 VanDerWaalsContact O-CB 3.28Å; M407-S411 WeakPolarHBondContact O-CB 3.34Å; M407-S411 PolarHBondContact O-N 2.76Å; M407-S411 PolarHBondContact O-OG 3.3Å; G408-S411 CarbonylContact O-C 3.59Å; G408-S411 WeakPolarHBondContact O-CA 3.48Å; G408-S411 WeakPolarHBondContact O-CB 3.36Å; G408-S411 PolarHBondContact O-N 3.13Å; G408-S411 VanDerWaalsContact O-N 3.13Å; A409-S411 PolarHBondContact O-N 3.45Å; S411-A413 PolarHBondContact O-N 3.09Å
412E96.9Very high98.5Very high132 Ų13225.3 Ų25.362%0.61712%0.121SC*.THydrogen-bonded Turntrans51.232.1-174.5-57.6177.1-179.800112.2G408 A409 I410G408-E412 PolarHBondContact O-N 3.18Å; G408-E412 VanDerWaalsContact O-N 3.16Å; A409-E412 PolarHBondContact O-N 3.22Å; A409-E412 VanDerWaalsContact O-N 3.08Å; I410-E412 PolarHBondContact O-N 2.97Å
413A97.9Very high98.5Very high8 Ų820.9 Ų20.97%0.06610%0.104CC..  trans-68.4141.2-171.900000111.3I379 G408 S411 I415 G471 I472I379-A413 HydrophobicContact CB-CB 4.41Å; I379-A413 HydrophobicContact CG1-CB 3.92Å; I379-A413 HydrophobicContact CG2-CB 3.98Å; G408-A413 VanDerWaalsContact O-CB 3.25Å; G408-A413 WeakPolarHBondContact O-CB 3.38Å; G408-A413 PolarHBondContact O-N 3.26Å; S411-A413 PolarHBondContact O-N 3.09Å; A413-I415 HydrophobicContact CB-CG2 4.5Å; A413-G471 CarbonylContact O-C 3.57Å; A413-G471 VanDerWaalsContact O-CA 3.23Å; A413-G471 WeakPolarHBondContact O-CA 3.28Å; A413-I472 HydrophobicContact CB-CD1 4.1Å
414N97.6Very high98.5Very high24 Ų2418.2 Ų18.213%0.1289%0.089CC..  trans-10674.8-178.8-169.617.1000110.9F303 K416 Q469 P470F303-N414 WeakPolarHBondContact CE1-ND2 3.49Å; F303-N414 VanDerWaalsContact CZ-ND2 3.26Å; F303-N414 WeakPolarHBondContact CZ-ND2 3.27Å; N414-K416 WeakPolarHBondContact OD1-CE 3.07Å; N414-K416 PolarHBondContact OD1-NZ 3.2Å; N414-Q469 PolarHBondContact OD1-O 3.3Å; N414-P470 WeakPolarHBondContact OD1-CA 3.28Å
415I98.7Very high98.4Very high0 Ų018 Ų180%09%0.088CC..  trans-120.2155.6-178.471171.3000111.7V375 A378 I379 A382 P389 L405 A413 G471 I472 C473V375-I415 HydrophobicContact CG1-CD1 4.05Å; A378-I415 HydrophobicContact CB-CG2 4.21Å; I379-I415 HydrophobicContact CG1-CD1 4.15Å; I379-I415 HydrophobicContact CG1-CG2 4.21Å; A382-I415 HydrophobicContact CB-CG2 3.97Å; P389-I415 HydrophobicContact CG-CB 4.15Å; P389-I415 HydrophobicContact CG-CG2 3.76Å; L405-I415 HydrophobicContact CD2-CD1 4.24Å; A413-I415 HydrophobicContact CB-CG2 4.5Å; I415-G471 PolarHBondContact N-O 3.42Å; I415-G471 VanDerWaalsContact O-O 3.13Å; I415-I472 HydrophobicContact CD1-CD1 3.96Å; I415-I472 HydrophobicContact CG1-CD1 3.58Å; I415-C473 PolarHBondContact O-N 3.35Å
416K98.8Very high98.4Very high1 Ų118 Ų180%0.0049%0.088CC..EExtended strand (participates in β ladder)trans-117.6119.6-178.8-42-56.4154-154.80109.5V388 P389 F390 C391 N414 V466 Q469 G471 C473V388-K416 HydrophobicContact CG1-CG 4.48Å; P389-K416 PolarHBondContact O-N 3.22Å; F390-K416 CarbonylContact C-O 3.59Å; F390-K416 VanDerWaalsContact CA-O 3.25Å; F390-K416 WeakPolarHBondContact CA-O 3.31Å; F390-K416 HydrophobicContact CB-CB 4.48Å; F390-K416 HydrophobicContact CD1-CB 3.42Å; F390-K416 VanDerWaalsContact CD1-CB 3.42Å; F390-K416 HydrophobicContact CD1-CG 4.1Å; F390-K416 HydrophobicContact CD2-CB 4.15Å; F390-K416 HydrophobicContact CD2-CG 4.09Å; F390-K416 HydrophobicContact CE1-CB 3.52Å; F390-K416 HydrophobicContact CE1-CG 3.84Å; F390-K416 HydrophobicContact CE2-CB 4.23Å; F390-K416 HydrophobicContact CE2-CG 3.83Å; F390-K416 HydrophobicContact CG-CB 3.76Å; F390-K416 HydrophobicContact CG-CG 4.23Å; F390-K416 HydrophobicContact CZ-CB 3.95Å; F390-K416 HydrophobicContact CZ-CG 3.71Å; C391-K416 PolarHBondContact N-O 3.17Å; N414-K416 WeakPolarHBondContact OD1-CE 3.07Å; N414-K416 PolarHBondContact OD1-NZ 3.2Å; K416-V466 HydrophobicContact CB-CG2 4.29Å; K416-V466 HydrophobicContact CD-CB 4.04Å; K416-V466 HydrophobicContact CD-CG2 4.1Å; K416-V466 WeakPolarHBondContact CD-O 3.35Å; K416-V466 WeakPolarHBondContact CE-O 3.45Å; K416-V466 HydrophobicContact CG-CG2 4.3Å; K416-V466 PolarHBondContact NZ-O 3.38Å; K416-Q469 PolarHBondContact NZ-O 2.76Å; K416-G471 PolarHBondContact NZ-O 2.88Å; K416-G471 VanDerWaalsContact NZ-O 3.17Å; K416-C473 HydrophobicContact CD-CB 3.85Å; K416-C473 PolarHBondContact NZ-SG 2.82Å
417C98.9Very high98.4Very high2 Ų213.4 Ų13.41%0.0147%0.071CC..EExtended strand (participates in β ladder)trans-106.7127.3-179.4-58.50000109.1C391 F398 F442 C473 F474 I475C391-C417 CarbonylContact O-C 3.55Å; C391-C417 WeakPolarHBondContact O-CA 3.49Å; F398-C417 HydrophobicContact CE1-CB 4.15Å; F398-C417 HydrophobicContact CE2-CB 4.16Å; F398-C417 HydrophobicContact CZ-CB 3.79Å; C417-F442 HydrophobicContact CB-CE1 3.98Å; C417-F442 HydrophobicContact CB-CZ 3.85Å; C417-C473 PolarHBondContact N-O 3.22Å; C417-F474 HydrophobicContact CB-CD2 4.07Å; C417-F474 CarbonylContact O-C 3.55Å; C417-F474 VanDerWaalsContact O-CA 3.28Å; C417-F474 WeakPolarHBondContact O-CA 3.35Å; C417-F474 WeakPolarHBondContact O-CD2 3.45Å; C417-I475 PolarHBondContact O-N 2.85Å
418C98.9Very high98.3Very high0 Ų017.8 Ų17.80%09%0.092CC..EExtended strand (participates in β ladder)trans-113.9109.2170.7179.50000109.6Y326 C391 S392 T393 I475Y326-C418 HydrophobicContact CD1-CB 4.35Å; Y326-C418 HydrophobicContact CD2-CB 3.83Å; Y326-C418 VanDerWaalsContact CD2-SG 3.54Å; Y326-C418 HydrophobicContact CE1-CB 3.99Å; Y326-C418 HydrophobicContact CE2-CB 3.44Å; Y326-C418 VanDerWaalsContact CE2-CB 3.44Å; Y326-C418 HydrophobicContact CG-CB 4.27Å; C391-C418 PolarHBondContact O-N 2.85Å; S392-C418 WeakPolarHBondContact CA-O 3.48Å; T393-C418 PolarHBondContact N-O 2.84Å; C418-I475 WeakPolarHBondContact CA-O 3.42Å
419G98.9Very high98.3Very high0 Ų021.8 Ų21.80%011%0.113CC..EExtended strand (participates in β ladder)trans-96.5111.1176.500000110I475 T477G419-I475 PolarHBondContact N-O 2.91Å; G419-T477 PolarHBondContact O-N 2.99Å; G419-T477 PolarHBondContact O-OG1 2.95Å
420S98.8Very high98.3Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-86.9178.1173.970.90000111.9T393 F394 A395 A422 T477T393-S420 PolarHBondContact O-N 2.67Å; T393-S420 PolarHBondContact O-OG 3.43Å; F394-S420 CarbonylContact C-O 3.19Å; F394-S420 WeakPolarHBondContact CA-O 3.44Å; F394-S420 WeakPolarHBondContact CD1-OG 3.32Å; A395-S420 WeakPolarHBondContact CB-O 3.3Å; A395-S420 PolarHBondContact N-O 3.45Å; S420-A422 PolarHBondContact O-N 2.72Å; S420-T477 CarbonylContact C-O 3.42Å; S420-T477 WeakPolarHBondContact CA-O 3.19Å; S420-T477 WeakPolarHBondContact CA-OG1 3.38Å; S420-T477 WeakPolarHBondContact CB-OG1 3.22Å
421H98.6Very high98.3Very high4 Ų419.8 Ų19.82%0.01910%0.103CC..SBendtrans57.535.7173.3-63.271.5000112.8R323 F394 I426 G435 T477R323-H421 PolarHBondContact NH1-CE1 3.07Å; R323-H421 PolarHBondContact NH1-NE2 3.46Å; F394-H421 HydrophobicContact CB-CB 4.27Å; F394-H421 HydrophobicContact CD1-CB 4.2Å; F394-H421 AromaticContact CD1-CG 3.86Å; F394-H421 AromaticContact CD1-ND1 3.45Å; F394-H421 WeakPolarHBondContact CD1-ND1 3.48Å; F394-H421 HydrophobicContact CD2-CB 4Å; F394-H421 AromaticContact CE1-CE1 3.38Å; F394-H421 WeakPolarHBondContact CE1-CE1 3.45Å; F394-H421 AromaticContact CE1-CG 3.81Å; F394-H421 AromaticContact CE1-ND1 3.3Å; F394-H421 VanDerWaalsContact CE1-ND1 3.3Å; F394-H421 WeakPolarHBondContact CE1-ND1 3.39Å; F394-H421 AromaticContact CE1-NE2 3.96Å; F394-H421 HydrophobicContact CE2-CB 4.39Å; F394-H421 AromaticContact CE2-CD2 3.94Å; F394-H421 AromaticContact CE2-CG 3.98Å; F394-H421 HydrophobicContact CG-CB 3.9Å; F394-H421 AromaticContact CG-CG 3.99Å; F394-H421 AromaticContact CZ-CD2 3.8Å; F394-H421 AromaticContact CZ-CE1 3.64Å; F394-H421 AromaticContact CZ-CG 3.87Å; F394-H421 AromaticContact CZ-ND1 3.77Å; F394-H421 AromaticContact CZ-NE2 3.73Å; H421-I426 VanDerWaalsContact C-CG2 3.41Å; H421-I426 VanDerWaalsContact CA-CG2 3.48Å; H421-I426 HydrophobicContact CB-CG2 3.73Å; H421-I426 VanDerWaalsContact O-CG2 3.28Å; H421-I426 WeakPolarHBondContact O-CG2 3.33Å; H421-G435 PolarHBondContact O-N 3.4Å; H421-T477 PolarHBondContact N-O 2.91Å
422A98.5Very high98.3Very high0 Ų022.9 Ų22.90%013%0.125CC..BIsolated β-bridgetrans-74.1138.1178.700000111.2A395 S420 S425 R476 T477A395-A422 HydrophobicContact CB-CB 4.26Å; S420-A422 PolarHBondContact O-N 2.72Å; A422-S425 PolarHBondContact O-OG 3.4Å; A422-R476 HydrophobicContact CB-CG 3.51Å; A422-R476 VanDerWaalsContact CB-CZ 3.47Å; A422-T477 PolarHBondContact N-O 3.25Å
423G98.7Very high98.4Very high0 Ų018.9 Ų18.90%011%0.106CC..SBendtrans78178173.600000116.8S425 I426 M434 G435 D566G423-S425 PolarHBondContact O-N 3.38Å; G423-I426 WeakPolarHBondContact O-CG2 3.16Å; G423-M434 WeakPolarHBondContact O-CG 3.4Å; G423-G435 WeakPolarHBondContact CA-O 3.45Å; G423-G435 PolarHBondContact N-O 3.49Å; G423-D566 WeakPolarHBondContact CA-OD1 3.46Å; G423-D566 WeakPolarHBondContact CA-OD2 3.38Å
424I98.6Very high98.4Very high0 Ų018.5 Ų18.50%010%0.103CC..G310 helixtrans-69.7-17.8176.660.1170.6000112.9I426 G427 M434 L436 D566 V594 P598 L606 F610 I612I424-I426 PolarHBondContact O-N 3.4Å; I424-G427 PolarHBondContact O-N 3.2Å; I424-G427 VanDerWaalsContact O-N 3.07Å; I424-M434 HydrophobicContact CB-CE 4.28Å; I424-M434 HydrophobicContact CB-SD 4.17Å; I424-M434 HydrophobicContact CG2-CE 4.42Å; I424-M434 HydrophobicContact CG2-SD 3.73Å; I424-L436 HydrophobicContact CG2-CD1 4.23Å; I424-L436 HydrophobicContact CG2-CD2 4.22Å; I424-D566 VanDerWaalsContact CG1-OD1 3.23Å; I424-D566 WeakPolarHBondContact CG1-OD1 3.28Å; I424-D566 VanDerWaalsContact N-CG 3.34Å; I424-D566 PolarHBondContact N-OD1 3.35Å; I424-D566 PolarHBondContact N-OD2 2.93Å; I424-V594 HydrophobicContact CD1-CG2 3.96Å; I424-V594 HydrophobicContact CG1-CG2 4.13Å; I424-V594 HydrophobicContact CG2-CG1 4.12Å; I424-V594 HydrophobicContact CG2-CG2 4.06Å; I424-P598 HydrophobicContact CG2-CB 3.58Å; I424-P598 HydrophobicContact CG2-CG 3.34Å; I424-L606 HydrophobicContact CB-CB 4.26Å; I424-L606 HydrophobicContact CB-CD1 4.44Å; I424-L606 HydrophobicContact CD1-CB 3.95Å; I424-L606 WeakPolarHBondContact CD1-O 3.3Å; I424-L606 HydrophobicContact CG1-CB 4.35Å; I424-L606 VanDerWaalsContact O-CD1 3.3Å; I424-L606 WeakPolarHBondContact O-CD1 3.49Å; I424-F610 HydrophobicContact CD1-CB 3.65Å; I424-F610 HydrophobicContact CD1-CD2 3.67Å; I424-F610 HydrophobicContact CD1-CG 3.98Å; I424-I612 HydrophobicContact CD1-CD1 3.9Å; I424-I612 HydrophobicContact CD1-CG1 4.31Å; I424-I612 HydrophobicContact CG1-CD1 4.08Å
425S98.3Very high98.5Very high1 Ų117.4 Ų17.41%0.00710%0.097CC..G310 helixtrans-63.3-5.417862.40000114.4A422 G423 G427 P480 D566 P603A422-S425 PolarHBondContact O-OG 3.4Å; G423-S425 PolarHBondContact O-N 3.38Å; S425-G427 VanDerWaalsContact C-N 3.26Å; S425-G427 PolarHBondContact O-N 3.25Å; S425-P480 VanDerWaalsContact O-CG 3.23Å; S425-P480 WeakPolarHBondContact O-CG 3.29Å; S425-D566 WeakPolarHBondContact CB-OD2 3.02Å; S425-D566 PolarHBondContact N-OD2 3.09Å; S425-D566 PolarHBondContact OG-OD2 2.79Å; S425-P603 WeakPolarHBondContact O-CB 3.42Å; S425-P603 WeakPolarHBondContact O-CG 3.41Å
426I98.1Very high98.5Very high0 Ų017.5 Ų17.50%010%0.097CC..G310 helixtrans-66.9-28.8170.172.8172.5000112.9H421 G423 I424 D429 Q433 M434 R479H421-I426 VanDerWaalsContact C-CG2 3.41Å; H421-I426 VanDerWaalsContact CA-CG2 3.48Å; H421-I426 HydrophobicContact CB-CG2 3.73Å; H421-I426 VanDerWaalsContact O-CG2 3.28Å; H421-I426 WeakPolarHBondContact O-CG2 3.33Å; G423-I426 WeakPolarHBondContact O-CG2 3.16Å; I424-I426 PolarHBondContact O-N 3.4Å; I426-D429 HydrophobicContact CD1-CB 4.28Å; I426-Q433 VanDerWaalsContact CD1-C 3.5Å; I426-Q433 HydrophobicContact CD1-CB 3.47Å; I426-Q433 VanDerWaalsContact CD1-CB 3.47Å; I426-M434 HydrophobicContact CD1-CB 4.34Å; I426-M434 HydrophobicContact CD1-CG 3.5Å; I426-M434 VanDerWaalsContact CD1-CG 3.5Å; I426-M434 HydrophobicContact CG1-CE 4.03Å; I426-M434 HydrophobicContact CG1-CG 3.7Å; I426-R479 HydrophobicContact CB-CB 4.37Å; I426-R479 HydrophobicContact CG2-CB 4.01Å; I426-R479 WeakPolarHBondContact O-CD 3.28Å; I426-R479 PolarHBondContact O-NH1 2.92Å
427G98.1Very high98.5Very high0 Ų021 Ų210%011%0.114CC..  trans88.3-117.2176.900000114.8I424 S425 D429 G430 M434 G601I424-G427 PolarHBondContact O-N 3.2Å; I424-G427 VanDerWaalsContact O-N 3.07Å; S425-G427 VanDerWaalsContact C-N 3.26Å; S425-G427 PolarHBondContact O-N 3.25Å; G427-D429 PolarHBondContact O-N 2.9Å; G427-G430 PolarHBondContact O-N 2.59Å; G427-M434 WeakPolarHBondContact O-CE 3.26Å; G427-G601 CarbonylContact C-O 3.53Å; G427-G601 WeakPolarHBondContact CA-O 3.16Å
428E98.1Very high98.5Very high101 Ų10120.9 Ų20.947%0.47211%0.113SC..THydrogen-bonded Turntrans-74-23.2-155.2-64.980.9179.800115G430 S600 G601E428-G430 PolarHBondContact O-N 3.17Å; E428-S600 WeakPolarHBondContact O-CB 3.39Å; E428-S600 PolarHBondContact O-OG 2.96Å; E428-G601 PolarHBondContact N-O 3.2Å
429D97.1Very high98.5Very high84 Ų8420.9 Ų20.945%0.44911%0.113SC..THydrogen-bonded Turntrans-64.6-22.3179-71.9-17000112.5I426 G427 Q433I426-D429 HydrophobicContact CD1-CB 4.28Å; G427-D429 PolarHBondContact O-N 2.9Å; D429-Q433 HydrophobicContact CB-CB 3.98Å; D429-Q433 HydrophobicContact CB-CG 4.03Å; D429-Q433 PolarHBondContact O-OE1 3.27Å
430G98Very high98.5Very high1 Ų122.3 Ų22.31%0.0113%0.125CC..  trans78.3-172.6174.400000114.3G427 E428 S432 Q433 M434G427-G430 PolarHBondContact O-N 2.59Å; E428-G430 PolarHBondContact O-N 3.17Å; G430-S432 VanDerWaalsContact C-N 3.25Å; G430-S432 PolarHBondContact O-N 2.86Å; G430-S432 VanDerWaalsContact O-N 3.12Å; G430-Q433 PolarHBondContact O-N 2.7Å; G430-M434 WeakPolarHBondContact O-CG 3.32Å
431P98.2Very high98.5Very high47 Ų4722.8 Ų22.831%0.30513%0.127SC..THydrogen-bonded Turntrans-66.4-18.6-162.425.7-36000115.1Q433 M434 L597P431-Q433 PolarHBondContact O-N 3.16Å; P431-M434 HydrophobicContact CB-SD 4.37Å; P431-M434 PolarHBondContact O-N 2.9Å; P431-L597 HydrophobicContact CB-CD1 3.78Å; P431-L597 HydrophobicContact CG-CD1 4.26Å
432S98.4Very high98.5Very high76 Ų7622.6 Ų22.653%0.53113%0.126SC..THydrogen-bonded Turntrans-69.5-17.4176.539.50000114.2G430G430-S432 VanDerWaalsContact C-N 3.25Å; G430-S432 PolarHBondContact O-N 2.86Å; G430-S432 VanDerWaalsContact O-N 3.12Å
433Q98.7Very high98.5Very high47 Ų4725.8 Ų25.822%0.2214%0.138CC..THydrogen-bonded Turntrans-110-10.7179.7-78.568.725.800112.2F394 T396 F397 I426 D429 G430 P431 G435F394-Q433 HydrophobicContact CD2-CB 4.23Å; F394-Q433 HydrophobicContact CD2-CG 4.04Å; F394-Q433 HydrophobicContact CE2-CB 4.4Å; F394-Q433 HydrophobicContact CE2-CG 3.95Å; T396-Q433 WeakPolarHBondContact CG2-O 3.14Å; F397-Q433 HydrophobicContact CZ-CG 4.32Å; I426-Q433 VanDerWaalsContact CD1-C 3.5Å; I426-Q433 HydrophobicContact CD1-CB 3.47Å; I426-Q433 VanDerWaalsContact CD1-CB 3.47Å; D429-Q433 HydrophobicContact CB-CB 3.98Å; D429-Q433 HydrophobicContact CB-CG 4.03Å; D429-Q433 PolarHBondContact O-OE1 3.27Å; G430-Q433 PolarHBondContact O-N 2.7Å; P431-Q433 PolarHBondContact O-N 3.16Å; Q433-G435 PolarHBondContact O-N 2.66Å
434M98.7Very high98.5Very high1 Ų128.9 Ų28.91%0.00516%0.16CC..  trans-80.6112.2-176.4-65.7168.2175.900110.1G423 I424 I426 G427 G430 P431 L436 P598 L606G423-M434 WeakPolarHBondContact O-CG 3.4Å; I424-M434 HydrophobicContact CB-CE 4.28Å; I424-M434 HydrophobicContact CB-SD 4.17Å; I424-M434 HydrophobicContact CG2-CE 4.42Å; I424-M434 HydrophobicContact CG2-SD 3.73Å; I426-M434 HydrophobicContact CD1-CB 4.34Å; I426-M434 HydrophobicContact CD1-CG 3.5Å; I426-M434 VanDerWaalsContact CD1-CG 3.5Å; I426-M434 HydrophobicContact CG1-CE 4.03Å; I426-M434 HydrophobicContact CG1-CG 3.7Å; G427-M434 WeakPolarHBondContact O-CE 3.26Å; G430-M434 WeakPolarHBondContact O-CG 3.32Å; P431-M434 HydrophobicContact CB-SD 4.37Å; P431-M434 PolarHBondContact O-N 2.9Å; M434-L436 HydrophobicContact CB-CD1 3.84Å; M434-L436 HydrophobicContact CB-CG 4.05Å; M434-L436 PolarHBondContact O-N 3.43Å; M434-P598 HydrophobicContact CE-CB 4.48Å; M434-P598 HydrophobicContact SD-CB 3.62Å; M434-P598 HydrophobicContact SD-CG 4.14Å; M434-L606 HydrophobicContact CE-CD1 3.82Å
435G98.6Very high98.5Very high0 Ų029 Ų290%016%0.16CC..BIsolated β-bridgetrans-73.7107.516900000110.3H421 G423 Q433 R476H421-G435 PolarHBondContact O-N 3.4Å; G423-G435 WeakPolarHBondContact CA-O 3.45Å; G423-G435 PolarHBondContact N-O 3.49Å; Q433-G435 PolarHBondContact O-N 2.66Å; G435-R476 PolarHBondContact O-NH2 3.25Å
436L98.9Very high98.5Very high2 Ų233.7 Ų33.71%0.0119%0.191CC..SBendtrans-125.7-3.4-175.4-70.9165.4000113.5I424 M434 H567 Y568 V594 P598I424-L436 HydrophobicContact CG2-CD1 4.23Å; I424-L436 HydrophobicContact CG2-CD2 4.22Å; M434-L436 HydrophobicContact CB-CD1 3.84Å; M434-L436 HydrophobicContact CB-CG 4.05Å; M434-L436 PolarHBondContact O-N 3.43Å; L436-H567 PolarHBondContact O-CD2 3.49Å; L436-H567 PolarHBondContact O-CE1 2.68Å; L436-H567 PolarHBondContact O-ND1 3.31Å; L436-H567 PolarHBondContact O-NE2 3.43Å; L436-H567 VanDerWaalsContact O-NE2 3.11Å; L436-Y568 HydrophobicContact CB-CD1 4.48Å; L436-Y568 HydrophobicContact CB-CD2 3.5Å; L436-Y568 VanDerWaalsContact CB-CD2 3.5Å; L436-Y568 HydrophobicContact CB-CE1 4.4Å; L436-Y568 HydrophobicContact CB-CE2 3.4Å; L436-Y568 HydrophobicContact CB-CG 4.04Å; L436-Y568 HydrophobicContact CD1-CE1 4.19Å; L436-Y568 HydrophobicContact CD1-CE2 4.19Å; L436-Y568 HydrophobicContact CG-CE2 4.43Å; L436-Y568 WeakPolarHBondContact O-CB 3.33Å; L436-Y568 WeakPolarHBondContact O-CD2 3.19Å; L436-Y568 PolarHBondContact O-N 3.26Å; L436-V594 HydrophobicContact CD1-CG1 4.49Å; L436-V594 HydrophobicContact CD2-CB 4.23Å; L436-V594 HydrophobicContact CD2-CG1 4.41Å; L436-V594 HydrophobicContact CD2-CG2 4.01Å; L436-P598 HydrophobicContact CD1-CG 3.63Å
437E98.8Very high98.4Very high75 Ų7536.7 Ų36.735%0.3522%0.222SC..SBendtrans-125.84.1177.760.9-90.2-116.500111.9T399 A440 M441 H567 Y568T399-E437 HydrophobicContact CG2-CG 3.89Å; E437-A440 PolarHBondContact O-N 3.32Å; E437-M441 VanDerWaalsContact O-CB 3.3Å; E437-M441 WeakPolarHBondContact O-CB 3.48Å; E437-M441 PolarHBondContact O-N 3.27Å; E437-H567 VanDerWaalsContact C-NE2 3.28Å; E437-H567 VanDerWaalsContact CA-NE2 3.27Å; E437-H567 WeakPolarHBondContact CA-NE2 3.34Å; E437-Y568 HydrophobicContact CB-CD2 4.49Å
438D98.9Very high98.4Very high0 Ų036.9 Ų36.90%022%0.223CC..Hα-helixtrans-68.7-37.4-174.163.8-60.8000112.5A395 M441 F442 F474 R476 H567A395-D438 HydrophobicContact CB-CB 4.05Å; D438-M441 PolarHBondContact O-N 2.58Å; D438-F442 VanDerWaalsContact O-CD2 3.32Å; D438-F442 WeakPolarHBondContact O-CD2 3.04Å; D438-F442 PolarHBondContact O-N 3.47Å; D438-F474 HydrophobicContact CB-CE1 4.3Å; D438-F474 HydrophobicContact CB-CZ 4.18Å; D438-F474 VanDerWaalsContact OD2-CE1 3.28Å; D438-F474 WeakPolarHBondContact OD2-CE1 3.19Å; D438-F474 VanDerWaalsContact OD2-CZ 3.3Å; D438-F474 WeakPolarHBondContact OD2-CZ 3.43Å; D438-R476 VanDerWaalsContact CG-NE 3.32Å; D438-R476 IonicContact OD1-CZ 3.16Å; D438-R476 IonicContact OD1-NE 2.79Å; D438-R476 PolarHBondContact OD1-NE 3.01Å; D438-R476 VanDerWaalsContact OD1-NE 3.15Å; D438-R476 IonicContact OD1-NH2 2.64Å; D438-R476 PolarHBondContact OD1-NH2 3.17Å; D438-R476 VanDerWaalsContact OD2-CD 3.25Å; D438-R476 WeakPolarHBondContact OD2-CD 3.09Å; D438-R476 WeakPolarHBondContact OD2-CG 3.3Å; D438-R476 IonicContact OD2-CZ 3.98Å; D438-R476 IonicContact OD2-NE 3.53Å; D438-R476 PolarHBondContact OD2-NE 2.72Å; D438-R476 IonicContact OD2-NH2 3.16Å; D438-H567 PolarHBondContact N-NE2 2.86Å; D438-H567 IonicContact OD1-CD2 3.01Å
439I98.9Very high98.4Very high0 Ų032.3 Ų32.30%020%0.202CC..Hα-helixtrans-64.6-46.8174.8-62.4168.6000109.2M441 F442 R443 I542 H567 I573I439-M441 PolarHBondContact O-N 3.06Å; I439-F442 PolarHBondContact O-N 3.4Å; I439-R443 VanDerWaalsContact CG2-CD 3.47Å; I439-R443 HydrophobicContact CG2-CG 4.02Å; I439-R443 WeakPolarHBondContact O-CB 3.46Å; I439-R443 WeakPolarHBondContact O-CG 3.14Å; I439-R443 PolarHBondContact O-N 3.3Å; I439-I542 HydrophobicContact CD1-CD1 3.77Å; I439-I542 HydrophobicContact CG1-CD1 4.05Å; I439-I542 HydrophobicContact CG2-CD1 4.07Å; I439-I542 HydrophobicContact CG2-CG2 3.9Å; I439-H567 WeakPolarHBondContact CB-NE2 3.44Å; I439-H567 HydrophobicContact CD1-CB 4.12Å; I439-H567 PolarHBondContact N-NE2 3.03Å; I439-H567 VanDerWaalsContact N-NE2 3.19Å; I439-I573 HydrophobicContact CD1-CG1 4.34Å
440A98.9Very high98.5Very high29 Ų2928.3 Ų28.324%0.2418%0.181CC..Hα-helixtrans-58.1-47.9176.500000111.8E437 R443 S444 H567 G571E437-A440 PolarHBondContact O-N 3.32Å; A440-R443 PolarHBondContact O-N 3.48Å; A440-S444 PolarHBondContact O-N 3.3Å; A440-S444 VanDerWaalsContact O-N 3.09Å; A440-H567 PolarHBondContact N-NE2 3Å; A440-G571 WeakPolarHBondContact CA-O 3.48Å
441M98.9Very high98.6Very high11 Ų1128.2 Ų28.25%0.05418%0.18CC..Hα-helixtrans-59.7-47.7179-176.9-176.868.600112.5F398 T399 Y402 L405 E437 D438 I439 S444F398-M441 HydrophobicContact CB-CE 3.58Å; T399-M441 HydrophobicContact CG2-SD 4.08Å; Y402-M441 HydrophobicContact CD1-CG 4.22Å; Y402-M441 HydrophobicContact CD2-CG 3.24Å; Y402-M441 HydrophobicContact CD2-SD 3.75Å; Y402-M441 HydrophobicContact CE1-CG 4.31Å; Y402-M441 HydrophobicContact CE2-CB 4.44Å; Y402-M441 HydrophobicContact CE2-CG 3.36Å; Y402-M441 HydrophobicContact CE2-SD 4.45Å; Y402-M441 HydrophobicContact CG-CG 3.72Å; Y402-M441 HydrophobicContact CG-SD 3.79Å; L405-M441 HydrophobicContact CD1-CE 4.15Å; E437-M441 VanDerWaalsContact O-CB 3.3Å; E437-M441 WeakPolarHBondContact O-CB 3.48Å; E437-M441 PolarHBondContact O-N 3.27Å; D438-M441 PolarHBondContact O-N 2.58Å; I439-M441 PolarHBondContact O-N 3.06Å; M441-S444 PolarHBondContact O-OG 3.47Å
442F98.9Very high98.6Very high0 Ų026 Ų260%017%0.165CC..Hα-helixtrans-77.6-30.5-179.5-80.7-80.4000112.7F398 L405 C417 D438 I439 S444 L445 S448 V450 I472 F474F398-F442 HydrophobicContact CB-CE2 4.11Å; F398-F442 HydrophobicContact CB-CZ 4.21Å; F398-F442 HydrophobicContact CD1-CZ 4.44Å; F398-F442 HydrophobicContact CD2-CE2 4.31Å; F398-F442 HydrophobicContact CD2-CZ 4.26Å; F398-F442 HydrophobicContact CG-CE2 4.28Å; F398-F442 HydrophobicContact CG-CZ 4.07Å; L405-F442 HydrophobicContact CD1-CE1 3.76Å; L405-F442 HydrophobicContact CD1-CE2 4.38Å; L405-F442 HydrophobicContact CD1-CZ 3.59Å; L405-F442 HydrophobicContact CD2-CE1 4.01Å; L405-F442 HydrophobicContact CD2-CZ 4.37Å; L405-F442 HydrophobicContact CG-CE1 4.48Å; C417-F442 HydrophobicContact CB-CE1 3.98Å; C417-F442 HydrophobicContact CB-CZ 3.85Å; D438-F442 VanDerWaalsContact O-CD2 3.32Å; D438-F442 WeakPolarHBondContact O-CD2 3.04Å; D438-F442 PolarHBondContact O-N 3.47Å; I439-F442 PolarHBondContact O-N 3.4Å; F442-S444 VanDerWaalsContact C-N 3.31Å; F442-S444 PolarHBondContact O-N 3.09Å; F442-L445 HydrophobicContact CD1-CD1 3.9Å; F442-L445 HydrophobicContact CE1-CD1 4.42Å; F442-L445 PolarHBondContact O-N 2.92Å; F442-S448 WeakPolarHBondContact O-CB 3.29Å; F442-S448 PolarHBondContact O-OG 3.14Å; F442-V450 HydrophobicContact CB-CG2 3.72Å; F442-I472 HydrophobicContact CD1-CG2 4.22Å; F442-I472 HydrophobicContact CE1-CG2 4.05Å; F442-F474 HydrophobicContact CB-CB 4.05Å; F442-F474 HydrophobicContact CB-CD1 3.93Å; F442-F474 HydrophobicContact CB-CG 4.17Å; F442-F474 HydrophobicContact CD1-CB 3.56Å; F442-F474 HydrophobicContact CD1-CD1 4.5Å; F442-F474 HydrophobicContact CD1-CD2 4.36Å; F442-F474 AromaticContact CD1-CG 3.93Å; F442-F474 HydrophobicContact CD1-CG 3.93Å; F442-F474 HydrophobicContact CD2-CB 3.99Å; F442-F474 AromaticContact CD2-CD1 3.4Å; F442-F474 HydrophobicContact CD2-CD1 3.4Å; F442-F474 VanDerWaalsContact CD2-CD1 3.4Å; F442-F474 AromaticContact CD2-CD2 3.65Å; F442-F474 HydrophobicContact CD2-CD2 3.65Å; F442-F474 AromaticContact CD2-CE1 3.7Å; F442-F474 HydrophobicContact CD2-CE1 3.7Å; F442-F474 AromaticContact CD2-CE2 3.9Å; F442-F474 HydrophobicContact CD2-CE2 3.9Å; F442-F474 AromaticContact CD2-CG 3.4Å; F442-F474 HydrophobicContact CD2-CG 3.4Å; F442-F474 VanDerWaalsContact CD2-CG 3.4Å; F442-F474 AromaticContact CD2-CZ 3.95Å; F442-F474 HydrophobicContact CD2-CZ 3.95Å; F442-F474 HydrophobicContact CE1-CB 3.9Å; F442-F474 HydrophobicContact CE1-CD2 4.07Å; F442-F474 HydrophobicContact CE1-CG 4.1Å; F442-F474 HydrophobicContact CE2-CB 4.31Å; F442-F474 AromaticContact CE2-CD1 3.99Å; F442-F474 HydrophobicContact CE2-CD1 3.99Å; F442-F474 AromaticContact CE2-CD2 3.33Å; F442-F474 HydrophobicContact CE2-CD2 3.33Å; F442-F474 HydrophobicContact CE2-CE1 4.13Å; F442-F474 AromaticContact CE2-CE2 3.46Å; F442-F474 HydrophobicContact CE2-CE2 3.46Å; F442-F474 VanDerWaalsContact CE2-CE2 3.46Å; F442-F474 AromaticContact CE2-CG 3.62Å; F442-F474 HydrophobicContact CE2-CG 3.62Å; F442-F474 AromaticContact CE2-CZ 3.89Å; F442-F474 HydrophobicContact CE2-CZ 3.89Å; F442-F474 HydrophobicContact CG-CB 3.6Å; F442-F474 AromaticContact CG-CD1 3.71Å; F442-F474 HydrophobicContact CG-CD1 3.71Å; F442-F474 HydrophobicContact CG-CD2 4.16Å; F442-F474 HydrophobicContact CG-CE1 4.44Å; F442-F474 AromaticContact CG-CG 3.57Å; F442-F474 HydrophobicContact CG-CG 3.57Å; F442-F474 HydrophobicContact CZ-CB 4.27Å; F442-F474 AromaticContact CZ-CD2 3.56Å; F442-F474 HydrophobicContact CZ-CD2 3.56Å; F442-F474 HydrophobicContact CZ-CE2 4.04Å; F442-F474 AromaticContact CZ-CG 3.97Å; F442-F474 HydrophobicContact CZ-CG 3.97Å
443R98.8Very high98.6Very high67 Ų6722.4 Ų22.425%0.25314%0.14SC..Hα-helixtrans-66.1-32.1174.9-77.6177.470.2-111.1-1.3112.5I439 A440 L445 V450 I542 K543 G571I439-R443 VanDerWaalsContact CG2-CD 3.47Å; I439-R443 HydrophobicContact CG2-CG 4.02Å; I439-R443 WeakPolarHBondContact O-CB 3.46Å; I439-R443 WeakPolarHBondContact O-CG 3.14Å; I439-R443 PolarHBondContact O-N 3.3Å; A440-R443 PolarHBondContact O-N 3.48Å; R443-L445 VanDerWaalsContact C-N 3.26Å; R443-L445 PolarHBondContact O-N 3.19Å; R443-V450 HydrophobicContact CG-CG2 4.28Å; R443-I542 HydrophobicContact CG-CG2 4.38Å; R443-K543 HydrophobicContact CB-CD 4.49Å; R443-K543 HydrophobicContact CG-CB 4.34Å; R443-K543 HydrophobicContact CG-CD 4.46Å; R443-K543 PolarHBondContact O-NZ 3.03Å; R443-G571 WeakPolarHBondContact CD-O 3.22Å; R443-G571 VanDerWaalsContact NH1-C 3.3Å; R443-G571 PolarHBondContact NH1-O 3.01Å
444S98.7Very high98.6Very high64 Ų6420.2 Ų20.245%0.44813%0.13SC..Hα-helixtrans-68.5-24179.175.60000113.2Y402 A440 M441 F442 P446Y402-S444 PolarHBondContact OH-OG 3.08Å; A440-S444 PolarHBondContact O-N 3.3Å; A440-S444 VanDerWaalsContact O-N 3.09Å; M441-S444 PolarHBondContact O-OG 3.47Å; F442-S444 VanDerWaalsContact C-N 3.31Å; F442-S444 PolarHBondContact O-N 3.09Å; S444-P446 WeakPolarHBondContact O-CD 3.43Å
445L98.7Very high98.6Very high2 Ų220.1 Ų20.11%0.0113%0.13CC..SBendtrans-69.2124.9-178.4-61.3-179.8000111.2Y402 L405 R406 A409 F442 R443 G447 S448 I472 K543Y402-L445 HydrophobicContact CD2-CD2 4.46Å; Y402-L445 HydrophobicContact CE2-CD2 3.83Å; Y402-L445 HydrophobicContact CE2-CG 4.46Å; L405-L445 HydrophobicContact CB-CD1 3.92Å; R406-L445 HydrophobicContact CB-CD2 4.18Å; A409-L445 HydrophobicContact CB-CB 4.47Å; F442-L445 HydrophobicContact CD1-CD1 3.9Å; F442-L445 HydrophobicContact CE1-CD1 4.42Å; F442-L445 PolarHBondContact O-N 2.92Å; R443-L445 VanDerWaalsContact C-N 3.26Å; R443-L445 PolarHBondContact O-N 3.19Å; L445-G447 PolarHBondContact O-N 3.15Å; L445-S448 WeakPolarHBondContact O-CB 3.45Å; L445-S448 PolarHBondContact O-N 3.32Å; L445-S448 PolarHBondContact O-OG 3.21Å; L445-I472 HydrophobicContact CD1-CB 4.47Å; L445-I472 HydrophobicContact CD1-CG2 3.95Å; L445-K543 PolarHBondContact O-NZ 3.21Å
446P97.3Very high98.6Very high101 Ų10120.1 Ų20.166%0.65613%0.13SC*.THydrogen-bonded Turntrans-58137.1176.4-25.335.1000112.1S444 S448S444-P446 WeakPolarHBondContact O-CD 3.43Å; P446-S448 PolarHBondContact O-N 3.41Å; P446-S448 VanDerWaalsContact O-N 3.12Å
447G96.2Very high98.6Very high62 Ų6220 Ų2064%0.63913%0.129SC*.THydrogen-bonded Turntrans68.53.8178.300000116.1L445L445-G447 PolarHBondContact O-N 3.15Å
448S98.7Very high98.6Very high4 Ų416.5 Ų16.53%0.02811%0.113CC..  trans-69.2153.7179.865.80000113.6F442 L445 P446 I472 K543F442-S448 WeakPolarHBondContact O-CB 3.29Å; F442-S448 PolarHBondContact O-OG 3.14Å; L445-S448 WeakPolarHBondContact O-CB 3.45Å; L445-S448 PolarHBondContact O-N 3.32Å; L445-S448 PolarHBondContact O-OG 3.21Å; P446-S448 PolarHBondContact O-N 3.41Å; P446-S448 VanDerWaalsContact O-N 3.12Å; S448-I472 WeakPolarHBondContact CA-O 3.45Å; S448-I472 VanDerWaalsContact CB-O 3.31Å; S448-I472 WeakPolarHBondContact CB-O 3.27Å; S448-K543 WeakPolarHBondContact O-CE 3.27Å; S448-K543 PolarHBondContact OG-NZ 3.35Å
449T98.9Very high98.6Very high5 Ų516.5 Ų16.53%0.03111%0.113CC..EExtended strand (participates in β ladder)trans-114.7130.7168.9-60.80000109.2L451 Q469 I472 C473 F474 I494 K543T449-L451 HydrophobicContact CG2-CD2 3.99Å; T449-L451 HydrophobicContact CG2-CG 4.1Å; T449-Q469 HydrophobicContact CG2-CG 4.48Å; T449-Q469 WeakPolarHBondContact OG1-CG 3.36Å; T449-I472 PolarHBondContact N-O 3.09Å; T449-I472 VanDerWaalsContact N-O 3.09Å; T449-C473 CarbonylContact O-C 3.6Å; T449-C473 WeakPolarHBondContact O-CA 3.4Å; T449-F474 PolarHBondContact O-N 3.22Å; T449-I494 HydrophobicContact CG2-CD1 4.15Å; T449-I494 HydrophobicContact CG2-CG1 4.3Å; T449-I494 HydrophobicContact CG2-CG2 3.8Å; T449-K543 CarbonylContact C-O 3.57Å; T449-K543 VanDerWaalsContact CA-O 3.29Å; T449-K543 WeakPolarHBondContact CA-O 3.48Å
450V98.9Very high98.6Very high0 Ų016.5 Ų16.50%011%0.113CC..EExtended strand (participates in β ladder)trans-124.5110.7-178.5-179.60000109.6F442 R443 F474 I542 K543F442-V450 HydrophobicContact CB-CG2 3.72Å; R443-V450 HydrophobicContact CG-CG2 4.28Å; V450-F474 HydrophobicContact CG1-CD1 3.97Å; V450-F474 HydrophobicContact CG2-CB 4.49Å; V450-I542 HydrophobicContact CB-CB 4.32Å; V450-I542 HydrophobicContact CG1-CB 4.02Å; V450-I542 HydrophobicContact CG1-CD1 4.18Å; V450-I542 HydrophobicContact CG1-CG1 4.47Å; V450-I542 PolarHBondContact O-N 3.19Å; V450-K543 HydrophobicContact CB-CB 4.01Å; V450-K543 HydrophobicContact CG2-CB 4.11Å; V450-K543 PolarHBondContact N-O 2.79Å; V450-K543 PolarHBondContact O-N 3.04Å
451L98.9Very high98.6Very high0 Ų017 Ų170%011%0.108CC..EExtended strand (participates in β ladder)trans-111.8136.2177.3-53.3-174.9000110.2T449 A462 V466 F474 I475 R476 I494 F540T449-L451 HydrophobicContact CG2-CD2 3.99Å; T449-L451 HydrophobicContact CG2-CG 4.1Å; L451-A462 HydrophobicContact CB-CB 4.3Å; L451-A462 HydrophobicContact CD1-CB 3.83Å; L451-V466 HydrophobicContact CD1-CG1 3.68Å; L451-V466 HydrophobicContact CG-CG1 4.33Å; L451-F474 PolarHBondContact N-O 3.39Å; L451-I475 WeakPolarHBondContact O-CA 3.42Å; L451-R476 PolarHBondContact O-N 3.03Å; L451-I494 HydrophobicContact CD1-CG1 4.44Å; L451-I494 HydrophobicContact CD2-CG1 4.44Å; L451-F540 CarbonylContact C-O 3.48Å; L451-F540 WeakPolarHBondContact CA-O 3.49Å; L451-F540 HydrophobicContact CD1-CE1 4.42Å; L451-F540 HydrophobicContact CD1-CZ 4.15Å; L451-F540 HydrophobicContact CD2-CE1 4.24Å
452Y98.9Very high98.6Very high0 Ų016.5 Ų16.50%011%0.106CC..  trans-126.183.6175.2-168.4-172000109.7R476 S478 A513 F540 I542 I573Y452-R476 HydrophobicContact CD2-CB 3.69Å; Y452-R476 HydrophobicContact CD2-CG 3.93Å; Y452-R476 WeakPolarHBondContact CD2-O 3.23Å; Y452-R476 HydrophobicContact CE2-CB 4.16Å; Y452-R476 HydrophobicContact CE2-CG 3.91Å; Y452-R476 HydrophobicContact CG-CB 3.99Å; Y452-R476 HydrophobicContact CG-CG 4.3Å; Y452-R476 VanDerWaalsContact CZ-NH1 3.29Å; Y452-R476 PolarHBondContact OH-NH1 2.88Å; Y452-R476 VanDerWaalsContact OH-NH1 3.16Å; Y452-S478 PolarHBondContact OH-OG 3.13Å; Y452-A513 HydrophobicContact CD1-CB 3.6Å; Y452-A513 HydrophobicContact CE1-CB 4.28Å; Y452-A513 WeakPolarHBondContact CE1-O 3.46Å; Y452-A513 HydrophobicContact CG-CB 4.04Å; Y452-F540 PolarHBondContact N-O 2.95Å; Y452-I542 HydrophobicContact CD1-CD1 4.19Å; Y452-I542 HydrophobicContact CG-CD1 4.46Å; Y452-I573 HydrophobicContact CD1-CD1 4.37Å
453P98.9Very high98.6Very high0 Ų016.5 Ų16.50%011%0.106CC..  trans-64.5138.3178.627.2-36.8000112.2C459 A462 I475 R476P453-C459 HydrophobicContact CB-CB 3.74Å; P453-C459 VanDerWaalsContact CB-N 3.32Å; P453-C459 HydrophobicContact CG-CB 3.79Å; P453-A462 HydrophobicContact CB-CB 4.49Å; P453-A462 HydrophobicContact CG-CB 4.41Å; P453-I475 HydrophobicContact CG-CG2 3.87Å; P453-R476 WeakPolarHBondContact CD-O 3.41Å
454S98.8Very high98.6Very high1 Ų114.3 Ų14.31%0.00710%0.099CC..  trans-90.4-29.3-177.1-60.40000113.5S458 T482 G514 L517 F518 D538S454-S458 PolarHBondContact N-OG 2.78Å; S454-T482 PolarHBondContact O-OG1 2.79Å; S454-T482 VanDerWaalsContact O-OG1 3.08Å; S454-G514 PolarHBondContact OG-N 3.23Å; S454-L517 VanDerWaalsContact CB-CD2 3.44Å; S454-F518 WeakPolarHBondContact O-CE2 3.41Å; S454-F518 VanDerWaalsContact O-CZ 3.24Å; S454-F518 WeakPolarHBondContact O-CZ 3.43Å; S454-D538 VanDerWaalsContact CB-OD2 3.26Å; S454-D538 WeakPolarHBondContact CB-OD2 3.36Å; S454-D538 PolarHBondContact OG-OD1 3.13Å; S454-D538 PolarHBondContact OG-OD2 3.06Å
455D98.8Very high98.5Very high0 Ų012.4 Ų12.40%08%0.083CC..SBendtrans-136.4-177.9-18081.2-11.8000112.8T322 V457 S458 C459 I485 Y486 F518T322-D455 WeakPolarHBondContact CG2-O 3.45Å; D455-V457 PolarHBondContact OD1-N 2.92Å; D455-S458 PolarHBondContact N-OG 3.2Å; D455-S458 PolarHBondContact O-OG 2.96Å; D455-S458 WeakPolarHBondContact OD1-CB 3.41Å; D455-S458 PolarHBondContact OD1-N 2.87Å; D455-S458 PolarHBondContact OD1-OG 2.85Å; D455-C459 VanDerWaalsContact O-CB 3.27Å; D455-C459 WeakPolarHBondContact O-CB 3.39Å; D455-C459 PolarHBondContact O-N 3.09Å; D455-I485 HydrophobicContact CB-CG1 4.41Å; D455-I485 PolarHBondContact OD2-N 3.45Å; D455-Y486 WeakPolarHBondContact OD1-CD2 3.49Å; D455-Y486 WeakPolarHBondContact OD2-CD2 3.48Å; D455-Y486 PolarHBondContact OD2-N 3.25Å; D455-F518 HydrophobicContact CB-CZ 4.39Å
456A98.7Very high98.5Very high0 Ų012.3 Ų12.30%08%0.083CC..Hα-helixtrans-65.3-39.8-177.600000113.3Y314 V320 A325 C459 E460 V484Y314-A456 HydrophobicContact CD1-CB 4.01Å; Y314-A456 HydrophobicContact CD2-CB 3.88Å; Y314-A456 HydrophobicContact CE1-CB 3.78Å; Y314-A456 HydrophobicContact CE2-CB 3.65Å; Y314-A456 HydrophobicContact CG-CB 4.06Å; V320-A456 HydrophobicContact CB-CB 3.95Å; V320-A456 HydrophobicContact CG1-CB 3.9Å; A325-A456 HydrophobicContact CB-CB 3.76Å; A456-C459 PolarHBondContact O-N 2.97Å; A456-E460 WeakPolarHBondContact O-CG 3.39Å; A456-E460 PolarHBondContact O-N 2.89Å; A456-V484 HydrophobicContact CB-CG2 3.96Å
457V98.8Very high98.6Very high0 Ų07.5 Ų7.50%05%0.052CC..Hα-helixtrans-64.7-52.4179.7172.20000110.5P312 Y314 D455 C459 E460 R461 V484P312-V457 HydrophobicContact CB-CG1 4.35Å; P312-V457 HydrophobicContact CB-CG2 4.11Å; P312-V457 HydrophobicContact CG-CG1 4.24Å; Y314-V457 HydrophobicContact CD2-CG2 3.85Å; D455-V457 PolarHBondContact OD1-N 2.92Å; V457-C459 PolarHBondContact O-N 3.12Å; V457-E460 PolarHBondContact O-N 2.6Å; V457-R461 WeakPolarHBondContact O-CG 3.17Å; V457-R461 PolarHBondContact O-N 3.38Å; V457-V484 HydrophobicContact CG2-CG1 3.95Å
458S98.7Very high98.6Very high0 Ų08.8 Ų8.80%04%0.037CC..Hα-helixtrans-59.6-34.1177.1560000111.8S454 D455 R461 A462S454-S458 PolarHBondContact N-OG 2.78Å; D455-S458 PolarHBondContact N-OG 3.2Å; D455-S458 PolarHBondContact O-OG 2.96Å; D455-S458 WeakPolarHBondContact OD1-CB 3.41Å; D455-S458 PolarHBondContact OD1-N 2.87Å; D455-S458 PolarHBondContact OD1-OG 2.85Å; S458-R461 PolarHBondContact O-N 2.68Å; S458-A462 WeakPolarHBondContact O-CB 3.29Å; S458-A462 PolarHBondContact O-N 3Å
459C98.9Very high98.5Very high0 Ų011.5 Ų11.50%05%0.049CC..Hα-helixtrans-67-46.1176.1-173.30000112.8T322 A325 P453 D455 A456 V457 R461 A462 V463T322-C459 HydrophobicContact CG2-CB 4.35Å; T322-C459 PolarHBondContact O-SG 3.34Å; A325-C459 HydrophobicContact CB-CB 3.86Å; P453-C459 HydrophobicContact CB-CB 3.74Å; P453-C459 VanDerWaalsContact CB-N 3.32Å; P453-C459 HydrophobicContact CG-CB 3.79Å; D455-C459 VanDerWaalsContact O-CB 3.27Å; D455-C459 WeakPolarHBondContact O-CB 3.39Å; D455-C459 PolarHBondContact O-N 3.09Å; A456-C459 PolarHBondContact O-N 2.97Å; V457-C459 PolarHBondContact O-N 3.12Å; C459-R461 VanDerWaalsContact C-N 3.29Å; C459-R461 PolarHBondContact O-N 3.4Å; C459-A462 WeakPolarHBondContact O-CB 3.4Å; C459-A462 PolarHBondContact O-N 3.3Å; C459-V463 PolarHBondContact O-N 3.45Å
460E98.8Very high98.3Very high1 Ų115.2 Ų15.21%0.0057%0.074CC..Hα-helixtrans-62.5-39.6176.3-61.7-156.5-176.500112L308 P312 Y314 A325 T328 A329 K332 A456 V457 V463 E464L308-E460 HydrophobicContact CD1-CB 4.06Å; P312-E460 HydrophobicContact CG-CB 4.13Å; Y314-E460 HydrophobicContact CE2-CG 4.04Å; Y314-E460 WeakPolarHBondContact CE2-OE1 3.31Å; Y314-E460 VanDerWaalsContact CZ-OE1 3.22Å; Y314-E460 PolarHBondContact OH-OE1 3.44Å; A325-E460 HydrophobicContact CB-CG 4.5Å; T328-E460 WeakPolarHBondContact CG2-OE1 3.35Å; A329-E460 HydrophobicContact CB-CB 3.83Å; A329-E460 HydrophobicContact CB-CG 3.83Å; K332-E460 WeakPolarHBondContact CD-OE2 3.46Å; K332-E460 WeakPolarHBondContact CE-OE2 3.45Å; K332-E460 IonicContact NZ-OE1 3.17Å; K332-E460 PolarHBondContact NZ-OE1 2.86Å; K332-E460 IonicContact NZ-OE2 2.73Å; K332-E460 PolarHBondContact NZ-OE2 3.47Å; A456-E460 WeakPolarHBondContact O-CG 3.39Å; A456-E460 PolarHBondContact O-N 2.89Å; V457-E460 PolarHBondContact O-N 2.6Å; E460-V463 PolarHBondContact O-N 2.94Å; E460-E464 PolarHBondContact O-N 2.94Å; E460-E464 VanDerWaalsContact O-N 3.09Å
461R98.6Very high98.3Very high39 Ų3916.1 Ų16.115%0.1478%0.083CC..Hα-helixtrans-65.4-37.8174.9-63.5-62.8-172-172.4-1.6112.2V457 S458 C459 V463 E464 L465 N488 E490 F492V457-R461 WeakPolarHBondContact O-CG 3.17Å; V457-R461 PolarHBondContact O-N 3.38Å; S458-R461 PolarHBondContact O-N 2.68Å; C459-R461 VanDerWaalsContact C-N 3.29Å; C459-R461 PolarHBondContact O-N 3.4Å; R461-V463 PolarHBondContact O-N 2.88Å; R461-E464 IonicContact NH1-OE2 3.62Å; R461-E464 PolarHBondContact NH1-OE2 3.48Å; R461-E464 VanDerWaalsContact NH1-OE2 3.13Å; R461-E464 WeakPolarHBondContact O-CB 3.25Å; R461-E464 PolarHBondContact O-N 3.16Å; R461-L465 WeakPolarHBondContact O-CB 3.48Å; R461-L465 VanDerWaalsContact O-CG 3.24Å; R461-L465 WeakPolarHBondContact O-CG 3.23Å; R461-L465 PolarHBondContact O-N 2.8Å; R461-N488 PolarHBondContact NH2-O 3.23Å; R461-E490 PolarHBondContact NE-O 3.47Å; R461-F492 HydrophobicContact CB-CB 4.06Å; R461-F492 HydrophobicContact CB-CD2 3.94Å; R461-F492 HydrophobicContact CB-CG 4.22Å; R461-F492 HydrophobicContact CG-CD2 3.88Å
462A98.8Very high98.3Very high0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-60.3-44.4173.900000111.6L451 P453 S458 C459 E464 L465 V466 I475 F540L451-A462 HydrophobicContact CB-CB 4.3Å; L451-A462 HydrophobicContact CD1-CB 3.83Å; P453-A462 HydrophobicContact CB-CB 4.49Å; P453-A462 HydrophobicContact CG-CB 4.41Å; S458-A462 WeakPolarHBondContact O-CB 3.29Å; S458-A462 PolarHBondContact O-N 3Å; C459-A462 WeakPolarHBondContact O-CB 3.4Å; C459-A462 PolarHBondContact O-N 3.3Å; A462-E464 VanDerWaalsContact C-N 3.34Å; A462-E464 PolarHBondContact O-N 2.84Å; A462-L465 PolarHBondContact O-N 2.72Å; A462-V466 WeakPolarHBondContact O-CG1 3.39Å; A462-V466 WeakPolarHBondContact O-CG2 3.46Å; A462-V466 PolarHBondContact O-N 2.93Å; A462-I475 HydrophobicContact CB-CD1 4.35Å; A462-I475 HydrophobicContact CB-CG2 4.34Å; A462-F540 HydrophobicContact CB-CE2 4.03Å; A462-F540 HydrophobicContact CB-CZ 4.12Å
463V98.8Very high98.3Very high0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-59.8-44.6175.7173.40000111.4Y326 A329 L333 F390 C459 E460 R461 V466 A467 I475Y326-V463 HydrophobicContact CD2-CG2 3.74Å; Y326-V463 HydrophobicContact CE2-CG2 4.45Å; A329-V463 HydrophobicContact CB-CB 3.72Å; A329-V463 HydrophobicContact CB-CG1 3.83Å; A329-V463 HydrophobicContact CB-CG2 3.9Å; L333-V463 HydrophobicContact CD2-CG1 4.28Å; F390-V463 HydrophobicContact CE1-CG1 4Å; F390-V463 HydrophobicContact CZ-CG1 4.17Å; C459-V463 PolarHBondContact O-N 3.45Å; E460-V463 PolarHBondContact O-N 2.94Å; R461-V463 PolarHBondContact O-N 2.88Å; V463-V466 WeakPolarHBondContact O-CG2 3.19Å; V463-A467 PolarHBondContact O-N 2.85Å; V463-I475 HydrophobicContact CB-CD1 4.3Å; V463-I475 HydrophobicContact CG2-CD1 3.62Å
464E98.3Very high98.3Very high22 Ų2216.2 Ų16.210%0.1038%0.084CC..Hα-helixtrans-60.7-46176.2-171.9175.6-157.200112.4H307 L308 E460 R461 A462 A467 R468H307-E464 WeakPolarHBondContact CA-OE1 3.38Å; H307-E464 WeakPolarHBondContact CB-OE1 3.28Å; L308-E464 HydrophobicContact CD1-CB 4.26Å; L308-E464 HydrophobicContact CD2-CB 4.18Å; L308-E464 HydrophobicContact CG-CB 3.87Å; L308-E464 HydrophobicContact CG-CG 4.05Å; L308-E464 PolarHBondContact N-OE1 2.87Å; L308-E464 VanDerWaalsContact N-OE1 3.16Å; E460-E464 PolarHBondContact O-N 2.94Å; E460-E464 VanDerWaalsContact O-N 3.09Å; R461-E464 IonicContact NH1-OE2 3.62Å; R461-E464 PolarHBondContact NH1-OE2 3.48Å; R461-E464 VanDerWaalsContact NH1-OE2 3.13Å; R461-E464 WeakPolarHBondContact O-CB 3.25Å; R461-E464 PolarHBondContact O-N 3.16Å; A462-E464 VanDerWaalsContact C-N 3.34Å; A462-E464 PolarHBondContact O-N 2.84Å; E464-A467 WeakPolarHBondContact O-CB 3.19Å; E464-A467 PolarHBondContact O-N 3.08Å; E464-R468 IonicContact OE1-CZ 2.7Å; E464-R468 IonicContact OE1-NH1 3.23Å; E464-R468 IonicContact OE1-NH2 3.28Å; E464-R468 PolarHBondContact OE1-NH2 2.93Å
465L98.3Very high98.3Very high24 Ų2416.3 Ų16.313%0.1268%0.084CC..Hα-helixtrans-65.2-48.3-178.7-73.3167.2000111.7R461 A462 A467 R468 Q469 F492 I494 F540R461-L465 WeakPolarHBondContact O-CB 3.48Å; R461-L465 VanDerWaalsContact O-CG 3.24Å; R461-L465 WeakPolarHBondContact O-CG 3.23Å; R461-L465 PolarHBondContact O-N 2.8Å; A462-L465 PolarHBondContact O-N 2.72Å; L465-A467 PolarHBondContact O-N 3.46Å; L465-R468 PolarHBondContact O-N 3.11Å; L465-R468 VanDerWaalsContact O-N 3.15Å; L465-Q469 PolarHBondContact O-N 3.15Å; L465-F492 HydrophobicContact CD1-CB 3.99Å; L465-I494 HydrophobicContact CB-CD1 4.18Å; L465-I494 HydrophobicContact CB-CG1 4.1Å; L465-I494 HydrophobicContact CD1-CG1 4.4Å; L465-F540 HydrophobicContact CD1-CE1 3.98Å; L465-F540 HydrophobicContact CD1-CZ 3.87Å
466V98.3Very high98.3Very high0 Ų016.3 Ų16.30%08%0.084CC..Hα-helixtrans-67.4-28.2-178-57.60000112.1F390 K416 L451 A462 V463 R468 Q469 C473 I475F390-V466 HydrophobicContact CE1-CG2 3.71Å; F390-V466 HydrophobicContact CZ-CG2 4.03Å; K416-V466 HydrophobicContact CB-CG2 4.29Å; K416-V466 HydrophobicContact CD-CB 4.04Å; K416-V466 HydrophobicContact CD-CG2 4.1Å; K416-V466 WeakPolarHBondContact CD-O 3.35Å; K416-V466 WeakPolarHBondContact CE-O 3.45Å; K416-V466 HydrophobicContact CG-CG2 4.3Å; K416-V466 PolarHBondContact NZ-O 3.38Å; L451-V466 HydrophobicContact CD1-CG1 3.68Å; L451-V466 HydrophobicContact CG-CG1 4.33Å; A462-V466 WeakPolarHBondContact O-CG1 3.39Å; A462-V466 WeakPolarHBondContact O-CG2 3.46Å; A462-V466 PolarHBondContact O-N 2.93Å; V463-V466 WeakPolarHBondContact O-CG2 3.19Å; V466-R468 PolarHBondContact O-N 3.36Å; V466-Q469 PolarHBondContact O-N 3.19Å; V466-Q469 VanDerWaalsContact O-N 3.14Å; V466-C473 HydrophobicContact CB-CB 3.68Å; V466-C473 HydrophobicContact CG1-CB 3.74Å; V466-I475 HydrophobicContact CG1-CD1 4.38Å; V466-I475 HydrophobicContact CG1-CG1 4.08Å; V466-I475 HydrophobicContact CG2-CD1 3.7Å; V466-I475 HydrophobicContact CG2-CG1 4.17Å
467A98Very high98.3Very high0 Ų016.3 Ų16.30%08%0.084CC..Hα-helixtrans-58.2-30.9175.500000112.8M306 L333 F390 V463 E464 L465M306-A467 HydrophobicContact CB-CB 4.16Å; M306-A467 HydrophobicContact CG-CB 4.45Å; L333-A467 HydrophobicContact CD1-CB 4.02Å; L333-A467 HydrophobicContact CD2-CB 3.57Å; L333-A467 HydrophobicContact CG-CB 4.43Å; F390-A467 HydrophobicContact CE2-CB 4.41Å; F390-A467 HydrophobicContact CZ-CB 4.06Å; V463-A467 PolarHBondContact O-N 2.85Å; E464-A467 WeakPolarHBondContact O-CB 3.19Å; E464-A467 PolarHBondContact O-N 3.08Å; L465-A467 PolarHBondContact O-N 3.46Å
468R96.4Very high98.3Very high88 Ų8816.4 Ų16.433%0.3329%0.085SC..Hα-helixtrans-89.4-25.9177.5-60.4173.5-177.9136.110.2112.9M306 H307 E464 L465 V466 P470M306-R468 HydrophobicContact CB-CG 3.9Å; M306-R468 PolarHBondContact O-NE 3.44Å; M306-R468 PolarHBondContact O-NH2 3.46Å; H307-R468 VanDerWaalsContact CB-NH2 3.34Å; E464-R468 IonicContact OE1-CZ 2.7Å; E464-R468 IonicContact OE1-NH1 3.23Å; E464-R468 IonicContact OE1-NH2 3.28Å; E464-R468 PolarHBondContact OE1-NH2 2.93Å; L465-R468 PolarHBondContact O-N 3.11Å; L465-R468 VanDerWaalsContact O-N 3.15Å; V466-R468 PolarHBondContact O-N 3.36Å; R468-P470 WeakPolarHBondContact O-CD 3.49Å
469Q96.8Very high98.3Very high61 Ų6120.2 Ų20.229%0.28510%0.099SC..SBendtrans-78.6123.9-170.4179.656.639.300111.7N414 K416 T449 L465 V466 I494N414-Q469 PolarHBondContact OD1-O 3.3Å; K416-Q469 PolarHBondContact NZ-O 2.76Å; T449-Q469 HydrophobicContact CG2-CG 4.48Å; T449-Q469 WeakPolarHBondContact OG1-CG 3.36Å; L465-Q469 PolarHBondContact O-N 3.15Å; V466-Q469 PolarHBondContact O-N 3.19Å; V466-Q469 VanDerWaalsContact O-N 3.14Å; Q469-I494 HydrophobicContact CB-CD1 3.71Å; Q469-I494 HydrophobicContact CG-CD1 3.76Å
470P96Very high98.2Very high84 Ų8422 Ų2255%0.54511%0.111SC..  trans-65158171.4-22.334.5000113.3N414 R468N414-P470 WeakPolarHBondContact OD1-CA 3.28Å; R468-P470 WeakPolarHBondContact O-CD 3.49Å
471G97.6Very high98.2Very high19 Ų1926.9 Ų26.920%0.19614%0.137CC..SBendtrans91.1-170.9175.200000114.3A413 I415 K416 C473A413-G471 CarbonylContact O-C 3.57Å; A413-G471 VanDerWaalsContact O-CA 3.23Å; A413-G471 WeakPolarHBondContact O-CA 3.28Å; I415-G471 PolarHBondContact N-O 3.42Å; I415-G471 VanDerWaalsContact O-O 3.13Å; K416-G471 PolarHBondContact NZ-O 2.88Å; K416-G471 VanDerWaalsContact NZ-O 3.17Å; G471-C473 PolarHBondContact O-N 2.81Å
472I98.7Very high98.1Very high2 Ų225.5 Ų25.51%0.0113%0.133CC..  trans-76.5106.1174.9-50.3-58.7000108.7L405 A409 A413 I415 F442 L445 S448 T449L405-I472 HydrophobicContact CD2-CG2 4.16Å; A409-I472 HydrophobicContact CB-CG1 4.18Å; A413-I472 HydrophobicContact CB-CD1 4.1Å; I415-I472 HydrophobicContact CD1-CD1 3.96Å; I415-I472 HydrophobicContact CG1-CD1 3.58Å; F442-I472 HydrophobicContact CD1-CG2 4.22Å; F442-I472 HydrophobicContact CE1-CG2 4.05Å; L445-I472 HydrophobicContact CD1-CB 4.47Å; L445-I472 HydrophobicContact CD1-CG2 3.95Å; S448-I472 WeakPolarHBondContact CA-O 3.45Å; S448-I472 VanDerWaalsContact CB-O 3.31Å; S448-I472 WeakPolarHBondContact CB-O 3.27Å; T449-I472 PolarHBondContact N-O 3.09Å; T449-I472 VanDerWaalsContact N-O 3.09Å
473C98.9Very high98.1Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-101141.7175.2-53.10000110.6I415 K416 C417 T449 V466 G471I415-C473 PolarHBondContact O-N 3.35Å; K416-C473 HydrophobicContact CD-CB 3.85Å; K416-C473 PolarHBondContact NZ-SG 2.82Å; C417-C473 PolarHBondContact N-O 3.22Å; T449-C473 CarbonylContact O-C 3.6Å; T449-C473 WeakPolarHBondContact O-CA 3.4Å; V466-C473 HydrophobicContact CB-CB 3.68Å; V466-C473 HydrophobicContact CG1-CB 3.74Å; G471-C473 PolarHBondContact O-N 2.81Å
474F98.9Very high98.1Very high0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-124.7129.7176.8-179.4-127.8000110.9A395 F398 C417 D438 F442 T449 V450 L451 R476A395-F474 HydrophobicContact CB-CZ 4.28Å; F398-F474 HydrophobicContact CD2-CE2 4.36Å; C417-F474 HydrophobicContact CB-CD2 4.07Å; C417-F474 CarbonylContact O-C 3.55Å; C417-F474 VanDerWaalsContact O-CA 3.28Å; C417-F474 WeakPolarHBondContact O-CA 3.35Å; C417-F474 WeakPolarHBondContact O-CD2 3.45Å; D438-F474 HydrophobicContact CB-CE1 4.3Å; D438-F474 HydrophobicContact CB-CZ 4.18Å; D438-F474 VanDerWaalsContact OD2-CE1 3.28Å; D438-F474 WeakPolarHBondContact OD2-CE1 3.19Å; D438-F474 VanDerWaalsContact OD2-CZ 3.3Å; D438-F474 WeakPolarHBondContact OD2-CZ 3.43Å; F442-F474 HydrophobicContact CB-CB 4.05Å; F442-F474 HydrophobicContact CB-CD1 3.93Å; F442-F474 HydrophobicContact CB-CG 4.17Å; F442-F474 HydrophobicContact CD1-CB 3.56Å; F442-F474 HydrophobicContact CD1-CD1 4.5Å; F442-F474 HydrophobicContact CD1-CD2 4.36Å; F442-F474 AromaticContact CD1-CG 3.93Å; F442-F474 HydrophobicContact CD1-CG 3.93Å; F442-F474 HydrophobicContact CD2-CB 3.99Å; F442-F474 AromaticContact CD2-CD1 3.4Å; F442-F474 HydrophobicContact CD2-CD1 3.4Å; F442-F474 VanDerWaalsContact CD2-CD1 3.4Å; F442-F474 AromaticContact CD2-CD2 3.65Å; F442-F474 HydrophobicContact CD2-CD2 3.65Å; F442-F474 AromaticContact CD2-CE1 3.7Å; F442-F474 HydrophobicContact CD2-CE1 3.7Å; F442-F474 AromaticContact CD2-CE2 3.9Å; F442-F474 HydrophobicContact CD2-CE2 3.9Å; F442-F474 AromaticContact CD2-CG 3.4Å; F442-F474 HydrophobicContact CD2-CG 3.4Å; F442-F474 VanDerWaalsContact CD2-CG 3.4Å; F442-F474 AromaticContact CD2-CZ 3.95Å; F442-F474 HydrophobicContact CD2-CZ 3.95Å; F442-F474 HydrophobicContact CE1-CB 3.9Å; F442-F474 HydrophobicContact CE1-CD2 4.07Å; F442-F474 HydrophobicContact CE1-CG 4.1Å; F442-F474 HydrophobicContact CE2-CB 4.31Å; F442-F474 AromaticContact CE2-CD1 3.99Å; F442-F474 HydrophobicContact CE2-CD1 3.99Å; F442-F474 AromaticContact CE2-CD2 3.33Å; F442-F474 HydrophobicContact CE2-CD2 3.33Å; F442-F474 HydrophobicContact CE2-CE1 4.13Å; F442-F474 AromaticContact CE2-CE2 3.46Å; F442-F474 HydrophobicContact CE2-CE2 3.46Å; F442-F474 VanDerWaalsContact CE2-CE2 3.46Å; F442-F474 AromaticContact CE2-CG 3.62Å; F442-F474 HydrophobicContact CE2-CG 3.62Å; F442-F474 AromaticContact CE2-CZ 3.89Å; F442-F474 HydrophobicContact CE2-CZ 3.89Å; F442-F474 HydrophobicContact CG-CB 3.6Å; F442-F474 AromaticContact CG-CD1 3.71Å; F442-F474 HydrophobicContact CG-CD1 3.71Å; F442-F474 HydrophobicContact CG-CD2 4.16Å; F442-F474 HydrophobicContact CG-CE1 4.44Å; F442-F474 AromaticContact CG-CG 3.57Å; F442-F474 HydrophobicContact CG-CG 3.57Å; F442-F474 HydrophobicContact CZ-CB 4.27Å; F442-F474 AromaticContact CZ-CD2 3.56Å; F442-F474 HydrophobicContact CZ-CD2 3.56Å; F442-F474 HydrophobicContact CZ-CE2 4.04Å; F442-F474 AromaticContact CZ-CG 3.97Å; F442-F474 HydrophobicContact CZ-CG 3.97Å; T449-F474 PolarHBondContact O-N 3.22Å; V450-F474 HydrophobicContact CG1-CD1 3.97Å; V450-F474 HydrophobicContact CG2-CB 4.49Å; L451-F474 PolarHBondContact N-O 3.39Å; F474-R476 HydrophobicContact CD1-CB 4.48Å; F474-R476 HydrophobicContact CE1-CB 3.75Å; F474-R476 HydrophobicContact CE1-CG 4.13Å; F474-R476 HydrophobicContact CZ-CB 4.03Å; F474-R476 HydrophobicContact CZ-CG 4.23Å
475I99Very high98.1Very high2 Ų229.1 Ų29.11%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-111.7115.9168.6-51.5177.1000107.5C417 C418 G419 L451 P453 A462 V463 V466 T477C417-I475 PolarHBondContact O-N 2.85Å; C418-I475 WeakPolarHBondContact CA-O 3.42Å; G419-I475 PolarHBondContact N-O 2.91Å; L451-I475 WeakPolarHBondContact O-CA 3.42Å; P453-I475 HydrophobicContact CG-CG2 3.87Å; A462-I475 HydrophobicContact CB-CD1 4.35Å; A462-I475 HydrophobicContact CB-CG2 4.34Å; V463-I475 HydrophobicContact CB-CD1 4.3Å; V463-I475 HydrophobicContact CG2-CD1 3.62Å; V466-I475 HydrophobicContact CG1-CD1 4.38Å; V466-I475 HydrophobicContact CG1-CG1 4.08Å; V466-I475 HydrophobicContact CG2-CD1 3.7Å; V466-I475 HydrophobicContact CG2-CG1 4.17Å; I475-T477 HydrophobicContact CG2-CG2 3.93Å
476R98.9Very high98.1Very high0 Ų028.9 Ų28.90%015%0.152CC..EExtended strand (participates in β ladder)trans-87.2119.3174.6-166.3179.3-159.8-113.13109.2A422 G435 D438 L451 Y452 P453 F474 D566A422-R476 HydrophobicContact CB-CG 3.51Å; A422-R476 VanDerWaalsContact CB-CZ 3.47Å; G435-R476 PolarHBondContact O-NH2 3.25Å; D438-R476 VanDerWaalsContact CG-NE 3.32Å; D438-R476 IonicContact OD1-CZ 3.16Å; D438-R476 IonicContact OD1-NE 2.79Å; D438-R476 PolarHBondContact OD1-NE 3.01Å; D438-R476 VanDerWaalsContact OD1-NE 3.15Å; D438-R476 IonicContact OD1-NH2 2.64Å; D438-R476 PolarHBondContact OD1-NH2 3.17Å; D438-R476 VanDerWaalsContact OD2-CD 3.25Å; D438-R476 WeakPolarHBondContact OD2-CD 3.09Å; D438-R476 WeakPolarHBondContact OD2-CG 3.3Å; D438-R476 IonicContact OD2-CZ 3.98Å; D438-R476 IonicContact OD2-NE 3.53Å; D438-R476 PolarHBondContact OD2-NE 2.72Å; D438-R476 IonicContact OD2-NH2 3.16Å; L451-R476 PolarHBondContact O-N 3.03Å; Y452-R476 HydrophobicContact CD2-CB 3.69Å; Y452-R476 HydrophobicContact CD2-CG 3.93Å; Y452-R476 WeakPolarHBondContact CD2-O 3.23Å; Y452-R476 HydrophobicContact CE2-CB 4.16Å; Y452-R476 HydrophobicContact CE2-CG 3.91Å; Y452-R476 HydrophobicContact CG-CB 3.99Å; Y452-R476 HydrophobicContact CG-CG 4.3Å; Y452-R476 VanDerWaalsContact CZ-NH1 3.29Å; Y452-R476 PolarHBondContact OH-NH1 2.88Å; Y452-R476 VanDerWaalsContact OH-NH1 3.16Å; P453-R476 WeakPolarHBondContact CD-O 3.41Å; F474-R476 HydrophobicContact CD1-CB 4.48Å; F474-R476 HydrophobicContact CE1-CB 3.75Å; F474-R476 HydrophobicContact CE1-CG 4.13Å; F474-R476 HydrophobicContact CZ-CB 4.03Å; F474-R476 HydrophobicContact CZ-CG 4.23Å; R476-D566 PolarHBondContact NH1-O 2.95Å; R476-D566 PolarHBondContact NH2-O 3.22Å
477T98.9Very high98.1Very high0 Ų032.6 Ų32.60%017%0.172CC..  trans-119.4151179.761.20000112T322 G419 S420 H421 A422 I475T322-T477 WeakPolarHBondContact OG1-CA 3.47Å; G419-T477 PolarHBondContact O-N 2.99Å; G419-T477 PolarHBondContact O-OG1 2.95Å; S420-T477 CarbonylContact C-O 3.42Å; S420-T477 WeakPolarHBondContact CA-O 3.19Å; S420-T477 WeakPolarHBondContact CA-OG1 3.38Å; S420-T477 WeakPolarHBondContact CB-OG1 3.22Å; H421-T477 PolarHBondContact N-O 2.91Å; A422-T477 PolarHBondContact N-O 3.25Å; I475-T477 HydrophobicContact CG2-CG2 3.93Å
478S98.7Very high98.2Very high3 Ų334.2 Ų34.22%0.02118%0.181CC..  trans-110150.1-170-540000111.6T322 R323 Y452T322-S478 PolarHBondContact OG1-N 3.27Å; R323-S478 WeakPolarHBondContact CG-O 3.29Å; Y452-S478 PolarHBondContact OH-OG 3.13Å
479R98.5Very high98.2Very high80 Ų8035.5 Ų35.530%0.30219%0.194SC..SBendtrans-73.6-46.4-179.9177.1171-168-940.4113.8A321 R323 I426A321-R479 WeakPolarHBondContact CB-O 3.14Å; R323-R479 PolarHBondContact NE-O 3.07Å; R323-R479 PolarHBondContact NH2-O 3.4Å; I426-R479 HydrophobicContact CB-CB 4.37Å; I426-R479 HydrophobicContact CG2-CB 4.01Å; I426-R479 WeakPolarHBondContact O-CD 3.28Å; I426-R479 PolarHBondContact O-NH1 2.92Å
480P97.5Very high98.3Very high38 Ų3835.6 Ų35.625%0.24720%0.195CC..SBendtrans-65.5152-178.3-23.135.3000113.3A321 S425 V515A321-P480 WeakPolarHBondContact CA-O 3.31Å; A321-P480 WeakPolarHBondContact CB-O 3.48Å; S425-P480 VanDerWaalsContact O-CG 3.23Å; S425-P480 WeakPolarHBondContact O-CG 3.29Å; P480-V515 HydrophobicContact CG-CG1 4.29Å
481N98.2Very high98.3Very high103 Ų10336.3 Ų36.355%0.55120%0.198SC*.  trans-74.7126.6167.3-68.5-16.6000109.5K319 A321K319-N481 HydrophobicContact CB-CB 4.02Å; A321-N481 WeakPolarHBondContact CB-OD1 3.24Å; A321-N481 PolarHBondContact N-OD1 3.4Å; A321-N481 VanDerWaalsContact N-OD1 3.09Å
482T97.6Very high98.3Very high10 Ų1036.1 Ų36.16%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-113.5150.4174.954.90000110.6K319 V320 S454 V515 F518K319-T482 WeakPolarHBondContact CA-O 3.21Å; V320-T482 PolarHBondContact N-O 2.77Å; V320-T482 PolarHBondContact O-N 3.07Å; S454-T482 PolarHBondContact O-OG1 2.79Å; S454-T482 VanDerWaalsContact O-OG1 3.08Å; T482-V515 HydrophobicContact CG2-CG1 4.39Å; T482-F518 VanDerWaalsContact CB-CZ 3.42Å; T482-F518 HydrophobicContact CG2-CD2 3.52Å; T482-F518 HydrophobicContact CG2-CE2 3.42Å; T482-F518 VanDerWaalsContact CG2-CE2 3.42Å; T482-F518 HydrophobicContact CG2-CG 4.31Å; T482-F518 HydrophobicContact CG2-CZ 4.11Å
483P98.3Very high98.3Very high45 Ų4539 Ų3929%0.29221%0.212SC..EExtended strand (participates in β ladder)trans-60.7138.6174.6-21.932000112.1D318 F518D318-P483 CarbonylContact O-C 3.54Å; D318-P483 WeakPolarHBondContact O-CA 3.33Å; P483-F518 HydrophobicContact CB-CE1 4.3Å; P483-F518 HydrophobicContact CG-CD1 4.23Å; P483-F518 HydrophobicContact CG-CE1 4.32Å; P483-F518 VanDerWaalsContact O-CE1 3.26Å; P483-F518 WeakPolarHBondContact O-CE1 3.34Å
484V98.7Very high98.3Very high2 Ų241 Ų411%0.01222%0.223CC..  trans-69.9126.1165.7173.60000108.9Y314 G317 D318 A456 V457Y314-V484 HydrophobicContact CG-CG2 4.26Å; G317-V484 PolarHBondContact N-O 3.06Å; D318-V484 HydrophobicContact CB-CG2 4.29Å; D318-V484 WeakPolarHBondContact O-CG2 3.45Å; D318-V484 PolarHBondContact O-N 3.44Å; A456-V484 HydrophobicContact CB-CG2 3.96Å; V457-V484 HydrophobicContact CG2-CG1 3.95Å
485I98.5Very high98.3Very high51 Ų5141.6 Ų41.626%0.26223%0.228SC..  trans-119.4-19.6-176.360.6170.8000112.9D455 I500 L517 F518D455-I485 HydrophobicContact CB-CG1 4.41Å; D455-I485 PolarHBondContact OD2-N 3.45Å; I485-I500 HydrophobicContact CD1-CD1 3.98Å; I485-L517 HydrophobicContact CD1-CD2 3.74Å; I485-F518 HydrophobicContact CG2-CE1 3.99Å
486Y98.6Very high98.3Very high19 Ų1945.6 Ų45.68%0.07525%0.246CC..SBendtrans-96.8147.4177.9-63.7-69.4000112.3D455 E490 F492 K498 I500 D538D455-Y486 WeakPolarHBondContact OD1-CD2 3.49Å; D455-Y486 WeakPolarHBondContact OD2-CD2 3.48Å; D455-Y486 PolarHBondContact OD2-N 3.25Å; Y486-E490 HydrophobicContact CD1-CB 4.47Å; Y486-E490 HydrophobicContact CD1-CG 3.75Å; Y486-E490 HydrophobicContact CE1-CG 4.49Å; Y486-E490 HydrophobicContact CG-CG 4.18Å; Y486-F492 HydrophobicContact CD1-CZ 4.12Å; Y486-F492 HydrophobicContact CD2-CE2 4.34Å; Y486-F492 AromaticContact CD2-CZ 3.63Å; Y486-F492 HydrophobicContact CD2-CZ 3.63Å; Y486-F492 HydrophobicContact CE1-CZ 4.08Å; Y486-F492 HydrophobicContact CE2-CE1 4.19Å; Y486-F492 AromaticContact CE2-CZ 3.59Å; Y486-F492 HydrophobicContact CE2-CZ 3.59Å; Y486-F492 HydrophobicContact CG-CE2 4.3Å; Y486-F492 AromaticContact CG-CZ 3.88Å; Y486-F492 HydrophobicContact CG-CZ 3.88Å; Y486-F492 AromaticContact CZ-CZ 3.8Å; Y486-K498 HydrophobicContact CE1-CB 4.08Å; Y486-K498 HydrophobicContact CE1-CG 4.02Å; Y486-K498 WeakPolarHBondContact OH-CB 3.34Å; Y486-I500 HydrophobicContact CE1-CD1 3.98Å; Y486-I500 WeakPolarHBondContact OH-CD1 3.24Å; Y486-D538 WeakPolarHBondContact OH-CB 3.36Å; Y486-D538 PolarHBondContact OH-OD2 3.1Å; Y486-D538 VanDerWaalsContact OH-OD2 3.12Å
487D98.2Very high98.3Very high77 Ų7745.9 Ų45.941%0.41225%0.248SC..  trans-65.1148.5167-173.9-92.8000110.2N489 E490D487-N489 PolarHBondContact O-N 3.03Å; D487-N489 VanDerWaalsContact O-N 3.1Å; D487-N489 VanDerWaalsContact OD1-CB 3.3Å; D487-N489 WeakPolarHBondContact OD1-CB 3.48Å; D487-N489 PolarHBondContact OD1-N 3.27Å; D487-N489 PolarHBondContact OD1-ND2 2.83Å; D487-E490 WeakPolarHBondContact O-CB 3.43Å; D487-E490 PolarHBondContact O-N 3.21Å
488N98.4Very high98.2Very high34 Ų3447.8 Ų47.818%0.18226%0.256CS..THydrogen-bonded Turntrans-59.2-25.9179.7-70.2-50.1000113.7P312 K313 Y314 R461P312-N488 HydrophobicContact CB-CB 4.23Å; P312-N488 WeakPolarHBondContact CB-OD1 3.45Å; P312-N488 VanDerWaalsContact O-CB 3.24Å; P312-N488 WeakPolarHBondContact O-CB 3.38Å; P312-N488 PolarHBondContact O-OD1 3.42Å; K313-N488 PolarHBondContact N-OD1 3.42Å; Y314-N488 PolarHBondContact N-ND2 3.36Å; Y314-N488 PolarHBondContact N-OD1 2.89Å; Y314-N488 PolarHBondContact O-ND2 3.41Å; Y314-N488 PolarHBondContact O-OD1 3.49Å; R461-N488 PolarHBondContact NH2-O 3.23Å
489N97.3Very high98.2Very high116 Ų11651 Ų5162%0.6227%0.272SS*.THydrogen-bonded Turntrans-88.2-2.1177.4-55.3-63.6000113.3D487 T491D487-N489 PolarHBondContact O-N 3.03Å; D487-N489 VanDerWaalsContact O-N 3.1Å; D487-N489 VanDerWaalsContact OD1-CB 3.3Å; D487-N489 WeakPolarHBondContact OD1-CB 3.48Å; D487-N489 PolarHBondContact OD1-N 3.27Å; D487-N489 PolarHBondContact OD1-ND2 2.83Å; N489-T491 PolarHBondContact O-N 2.85Å
490E97.9Very high98.2Very high62 Ų6249.4 Ų49.429%0.2927%0.269SS..  trans-57.8129176.1-172.665.5-155.100110.1R461 Y486 D487 F492 K498R461-E490 PolarHBondContact NE-O 3.47Å; Y486-E490 HydrophobicContact CD1-CB 4.47Å; Y486-E490 HydrophobicContact CD1-CG 3.75Å; Y486-E490 HydrophobicContact CE1-CG 4.49Å; Y486-E490 HydrophobicContact CG-CG 4.18Å; D487-E490 WeakPolarHBondContact O-CB 3.43Å; D487-E490 PolarHBondContact O-N 3.21Å; E490-F492 HydrophobicContact CB-CE2 4.11Å; E490-F492 HydrophobicContact CG-CD2 4.29Å; E490-F492 HydrophobicContact CG-CE2 3.61Å; E490-F492 HydrophobicContact CG-CZ 4.16Å; E490-K498 VanDerWaalsContact OE1-CE 3.3Å; E490-K498 WeakPolarHBondContact OE1-CE 3.48Å; E490-K498 IonicContact OE1-NZ 3.99Å; E490-K498 PolarHBondContact OE1-NZ 3.2Å
491T97.1Very high98.1Very high100 Ų10051 Ų5161%0.61327%0.27SS*.  trans-96.7136.9-17859.20000110.7N489 K498N489-T491 PolarHBondContact O-N 2.85Å; T491-K498 VanDerWaalsContact O-CE 3.24Å; T491-K498 WeakPolarHBondContact O-CE 3.34Å; T491-K498 PolarHBondContact O-NZ 2.91Å
492F98.4Very high98.1Very high14 Ų1451 Ų516%0.06127%0.265CS..  trans-119.7152.4175.1-72.4-102000110.3R461 L465 Y486 E490 K498 F540R461-F492 HydrophobicContact CB-CB 4.06Å; R461-F492 HydrophobicContact CB-CD2 3.94Å; R461-F492 HydrophobicContact CB-CG 4.22Å; R461-F492 HydrophobicContact CG-CD2 3.88Å; L465-F492 HydrophobicContact CD1-CB 3.99Å; Y486-F492 HydrophobicContact CD1-CZ 4.12Å; Y486-F492 HydrophobicContact CD2-CE2 4.34Å; Y486-F492 AromaticContact CD2-CZ 3.63Å; Y486-F492 HydrophobicContact CD2-CZ 3.63Å; Y486-F492 HydrophobicContact CE1-CZ 4.08Å; Y486-F492 HydrophobicContact CE2-CE1 4.19Å; Y486-F492 AromaticContact CE2-CZ 3.59Å; Y486-F492 HydrophobicContact CE2-CZ 3.59Å; Y486-F492 HydrophobicContact CG-CE2 4.3Å; Y486-F492 AromaticContact CG-CZ 3.88Å; Y486-F492 HydrophobicContact CG-CZ 3.88Å; Y486-F492 AromaticContact CZ-CZ 3.8Å; E490-F492 HydrophobicContact CB-CE2 4.11Å; E490-F492 HydrophobicContact CG-CD2 4.29Å; E490-F492 HydrophobicContact CG-CE2 3.61Å; E490-F492 HydrophobicContact CG-CZ 4.16Å; F492-K498 HydrophobicContact CD1-CG 4.38Å; F492-K498 HydrophobicContact CE1-CG 3.76Å; F492-K498 HydrophobicContact CZ-CG 4.26Å; F492-F540 HydrophobicContact CB-CE1 3.85Å; F492-F540 HydrophobicContact CB-CE2 4.41Å; F492-F540 HydrophobicContact CB-CZ 3.77Å; F492-F540 HydrophobicContact CD1-CB 4.45Å; F492-F540 AromaticContact CD1-CD1 3.79Å; F492-F540 HydrophobicContact CD1-CD1 3.79Å; F492-F540 AromaticContact CD1-CD2 3.58Å; F492-F540 HydrophobicContact CD1-CD2 3.58Å; F492-F540 AromaticContact CD1-CE1 3.83Å; F492-F540 HydrophobicContact CD1-CE1 3.83Å; F492-F540 AromaticContact CD1-CE2 3.62Å; F492-F540 HydrophobicContact CD1-CE2 3.62Å; F492-F540 AromaticContact CD1-CG 3.67Å; F492-F540 HydrophobicContact CD1-CG 3.67Å; F492-F540 AromaticContact CD1-CZ 3.75Å; F492-F540 HydrophobicContact CD1-CZ 3.75Å; F492-F540 AromaticContact CE1-CD2 3.86Å; F492-F540 HydrophobicContact CE1-CD2 3.86Å; F492-F540 HydrophobicContact CE1-CE2 4.2Å; F492-F540 HydrophobicContact CE1-CG 4.09Å; F492-F540 HydrophobicContact CG-CE1 4.29Å; F492-F540 HydrophobicContact CG-CE2 4.19Å; F492-F540 HydrophobicContact CG-CZ 4.04Å
493S98.3Very high98Very high64 Ų6452.1 Ų52.145%0.44827%0.274SS..  trans-136.9146.1176.7-62.40000109.7K496S493-K496 PolarHBondContact O-N 2.69Å
494I98.5Very high97.8Very high42 Ų4257.5 Ų57.522%0.21530%0.3CS..THydrogen-bonded Turntrans-63.8135.7172-64.8168.8000108.6T449 L451 L465 Q469 K496 P544T449-I494 HydrophobicContact CG2-CD1 4.15Å; T449-I494 HydrophobicContact CG2-CG1 4.3Å; T449-I494 HydrophobicContact CG2-CG2 3.8Å; L451-I494 HydrophobicContact CD1-CG1 4.44Å; L451-I494 HydrophobicContact CD2-CG1 4.44Å; L465-I494 HydrophobicContact CB-CD1 4.18Å; L465-I494 HydrophobicContact CB-CG1 4.1Å; L465-I494 HydrophobicContact CD1-CG1 4.4Å; Q469-I494 HydrophobicContact CB-CD1 3.71Å; Q469-I494 HydrophobicContact CG-CD1 3.76Å; I494-K496 VanDerWaalsContact C-N 3.33Å; I494-P544 HydrophobicContact CG2-CG 3.79Å
495G98.5Very high97.7Very high12 Ų1262.3 Ų62.312%0.12433%0.326CS..THydrogen-bonded Turntrans79.110.6-17700000115.2S541 P544 D546G495-S541 PolarHBondContact N-OG 3.28Å; G495-P544 WeakPolarHBondContact CA-O 3.34Å; G495-D546 WeakPolarHBondContact O-CA 3.26Å; G495-D546 WeakPolarHBondContact O-CB 3.24Å
496K98.6Very high97.7Very high85 Ų8560.4 Ų60.437%0.3732%0.316SS..  trans-123.9142176.8-65.8-63.6175.7-172.10112.1S493 I494 D546 E548S493-K496 PolarHBondContact O-N 2.69Å; I494-K496 VanDerWaalsContact C-N 3.33Å; K496-D546 WeakPolarHBondContact CA-OD2 3.08Å; K496-D546 WeakPolarHBondContact CD-OD2 3.26Å; K496-D546 IonicContact NZ-OD1 2.68Å; K496-D546 PolarHBondContact NZ-OD1 3.02Å; K496-E548 IonicContact NZ-OE2 3.94Å; K496-E548 PolarHBondContact NZ-OE2 2.81Å
497S98.7Very high97.6Very high6 Ų662.5 Ų62.54%0.04233%0.327CS..  trans-102.6177.2178.1-59.40000111.1D538 L539 D546S497-D538 WeakPolarHBondContact CB-O 3.31Å; S497-L539 PolarHBondContact OG-O 3.36Å; S497-L539 VanDerWaalsContact OG-O 3.13Å; S497-D546 PolarHBondContact N-OD2 3.08Å; S497-D546 VanDerWaalsContact OG-CB 3.26Å; S497-D546 WeakPolarHBondContact OG-CB 3.35Å
498K98.6Very high97.6Very high41 Ų4158.9 Ų58.918%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-128.4135.7174.2-66.5-66.9179.91760111.1Y486 E490 T491 F492 I500 I537 D538Y486-K498 HydrophobicContact CE1-CB 4.08Å; Y486-K498 HydrophobicContact CE1-CG 4.02Å; Y486-K498 WeakPolarHBondContact OH-CB 3.34Å; E490-K498 VanDerWaalsContact OE1-CE 3.3Å; E490-K498 WeakPolarHBondContact OE1-CE 3.48Å; E490-K498 IonicContact OE1-NZ 3.99Å; E490-K498 PolarHBondContact OE1-NZ 3.2Å; T491-K498 VanDerWaalsContact O-CE 3.24Å; T491-K498 WeakPolarHBondContact O-CE 3.34Å; T491-K498 PolarHBondContact O-NZ 2.91Å; F492-K498 HydrophobicContact CD1-CG 4.38Å; F492-K498 HydrophobicContact CE1-CG 3.76Å; F492-K498 HydrophobicContact CZ-CG 4.26Å; K498-I500 HydrophobicContact CB-CD1 4.5Å; K498-I537 CarbonylContact O-C 3.55Å; K498-I537 WeakPolarHBondContact O-CA 3.39Å; K498-D538 HydrophobicContact CB-CB 4.37Å; K498-D538 PolarHBondContact N-O 3.03Å; K498-D538 PolarHBondContact O-N 3Å
499I97.9Very high97.6Very high69 Ų6957.2 Ų57.235%0.35430%0.298SS..EExtended strand (participates in β ladder)trans-86122.2171.2-163141.5000109.9R501 K502 E553I499-R501 WeakPolarHBondContact CG1-O 3.43Å; I499-K502 HydrophobicContact CD1-CB 3.81Å; I499-K502 HydrophobicContact CD1-CD 3.72Å; I499-K502 HydrophobicContact CD1-CG 4.07Å; I499-K502 HydrophobicContact CG1-CB 3.99Å; I499-E553 HydrophobicContact CD1-CG 4.17Å
500I98Very high97.7Very high47 Ų4751.7 Ų51.724%0.24127%0.269CS..EExtended strand (participates in β ladder)trans-95-37.2-178.1-58.3-53.6000111I485 Y486 K498 L517 I521 I536 D538I485-I500 HydrophobicContact CD1-CD1 3.98Å; Y486-I500 HydrophobicContact CE1-CD1 3.98Å; Y486-I500 WeakPolarHBondContact OH-CD1 3.24Å; K498-I500 HydrophobicContact CB-CD1 4.5Å; I500-L517 HydrophobicContact CG1-CD1 4.08Å; I500-L517 HydrophobicContact CG1-CD2 4.36Å; I500-I521 HydrophobicContact CG2-CD1 3.99Å; I500-I521 HydrophobicContact CG2-CG1 4.06Å; I500-I536 HydrophobicContact CB-CB 4.14Å; I500-I536 HydrophobicContact CB-CG2 4.09Å; I500-I536 HydrophobicContact CG1-CG2 4.37Å; I500-I536 PolarHBondContact N-O 2.97Å; I500-D538 HydrophobicContact CD1-CB 4.08Å; I500-D538 HydrophobicContact CG1-CB 3.98Å
501R96.7Very high97.7Very high72 Ų7248.8 Ų48.827%0.27226%0.255SS..EExtended strand (participates in β ladder)trans-140.3136176.2-64.9-172.4-179.6-160.2-3.1109.2I499 D525 A535 I536I499-R501 WeakPolarHBondContact CG1-O 3.43Å; R501-D525 IonicContact CZ-OD1 3.72Å; R501-D525 IonicContact NH1-OD1 3.51Å; R501-D525 PolarHBondContact NH1-OD1 2.64Å; R501-D525 VanDerWaalsContact NH2-CG 3.3Å; R501-D525 IonicContact NH2-OD1 3.07Å; R501-D525 PolarHBondContact NH2-OD1 3.21Å; R501-D525 IonicContact NH2-OD2 2.67Å; R501-D525 PolarHBondContact NH2-OD2 3.13Å; R501-A535 WeakPolarHBondContact O-CA 3.35Å; R501-I536 HydrophobicContact CB-CB 4.33Å; R501-I536 HydrophobicContact CB-CD1 4.4Å; R501-I536 HydrophobicContact CB-CG1 4.24Å; R501-I536 HydrophobicContact CG-CD1 4.15Å; R501-I536 PolarHBondContact O-N 2.91Å
502K96.7Very high97.8Very high102 Ų10244 Ų4444%0.44323%0.226SC..  trans-149.1138.8175.5-173.4171.2-175.6161.10109.4I499 D506 E553I499-K502 HydrophobicContact CD1-CB 3.81Å; I499-K502 HydrophobicContact CD1-CD 3.72Å; I499-K502 HydrophobicContact CD1-CG 4.07Å; I499-K502 HydrophobicContact CG1-CB 3.99Å; K502-D506 WeakPolarHBondContact CA-OD2 3.46Å; K502-E553 WeakPolarHBondContact CE-OE1 3.38Å; K502-E553 IonicContact NZ-OE1 2.77Å; K502-E553 PolarHBondContact NZ-OE1 2.94Å; K502-E553 IonicContact NZ-OE2 3.46Å
503S96.2Very high97.8Very high35 Ų3543.3 Ų43.325%0.24522%0.223CC..  trans-148158.3165.378.40000110.2D505 D506 R556S503-D505 PolarHBondContact O-N 2.77Å; S503-D506 VanDerWaalsContact N-CG 3.32Å; S503-D506 PolarHBondContact N-OD1 2.84Å; S503-D506 PolarHBondContact N-OD2 2.93Å; S503-D506 PolarHBondContact O-N 2.81Å; S503-D506 PolarHBondContact OG-OD1 3.21Å; S503-R556 PolarHBondContact O-NH1 2.87Å
504D94.6Very high97.8Very high157 Ų15740.3 Ų40.384%0.8420%0.202SC*.THydrogen-bonded Turntrans-65.9-18.7179.4-64.2-26.7000112.9
505D96.3Very high97.8Very high103 Ų10338.7 Ų38.755%0.55119%0.194SC*.THydrogen-bonded Turntrans-96.610.3-178.3-58.2-43.8000113S503 E507 K533S503-D505 PolarHBondContact O-N 2.77Å; D505-E507 PolarHBondContact O-N 3.03Å; D505-K533 HydrophobicContact CB-CD 3.55Å; D505-K533 IonicContact OD2-NZ 3.44Å; D505-K533 PolarHBondContact OD2-NZ 3.3Å
506D97.7Very high97.8Very high12 Ų1238.1 Ų38.16%0.06419%0.188CC..  trans-65.6130.3-178.6-61.3-29.2000111.3K502 S503 A535 R556 V557K502-D506 WeakPolarHBondContact CA-OD2 3.46Å; S503-D506 VanDerWaalsContact N-CG 3.32Å; S503-D506 PolarHBondContact N-OD1 2.84Å; S503-D506 PolarHBondContact N-OD2 2.93Å; S503-D506 PolarHBondContact O-N 2.81Å; S503-D506 PolarHBondContact OG-OD1 3.21Å; D506-A535 HydrophobicContact CB-CB 4.19Å; D506-A535 WeakPolarHBondContact OD2-CB 3.38Å; D506-R556 IonicContact OD2-CZ 2.72Å; D506-R556 IonicContact OD2-NH1 2.64Å; D506-R556 PolarHBondContact OD2-NH1 3.22Å; D506-R556 IonicContact OD2-NH2 2.77Å; D506-R556 PolarHBondContact OD2-NH2 3.28Å; D506-V557 HydrophobicContact CB-CG1 3.95Å
507E97Very high97.8Very high63 Ų6334.1 Ų34.129%0.29417%0.171SC..  trans-99.9-26.1-177.5-58-177.9-104.500113D505 K533 R560 L625D505-E507 PolarHBondContact O-N 3.03Å; E507-K533 PolarHBondContact N-O 3.44Å; E507-R560 PolarHBondContact O-NE 2.76Å; E507-R560 PolarHBondContact O-NH2 2.7Å; E507-L625 HydrophobicContact CB-CD2 3.69Å
508V98Very high97.8Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-137.5141.5-179.2-177.60000109.5V534 A535 R560 V562 V621 L625V508-V534 HydrophobicContact CB-CG1 4.09Å; V508-V534 CarbonylContact O-C 3.55Å; V508-V534 VanDerWaalsContact O-CA 3.29Å; V508-V534 WeakPolarHBondContact O-CA 3.34Å; V508-V534 WeakPolarHBondContact O-CB 3.27Å; V508-A535 PolarHBondContact O-N 3.05Å; V508-R560 HydrophobicContact CG1-CB 4.47Å; V508-R560 WeakPolarHBondContact CG1-O 3.35Å; V508-R560 HydrophobicContact CG2-CB 4.09Å; V508-V562 HydrophobicContact CG1-CB 4.47Å; V508-V562 HydrophobicContact CG1-CG2 3.82Å; V508-V621 HydrophobicContact CB-CG1 4.3Å; V508-V621 HydrophobicContact CG1-CG2 4.23Å; V508-V621 HydrophobicContact CG2-CG1 3.95Å; V508-L625 HydrophobicContact CG2-CD2 3.8Å; V508-L625 HydrophobicContact CG2-CG 4.28Å
509L98.4Very high97.8Very high0 Ų033.4 Ų33.40%017%0.167CC..EExtended strand (participates in β ladder)trans-95.4121.6170.8169.463.2000109.5V511 A535 I537 E553 A554 V557 R560 V561 V562L509-V511 HydrophobicContact CD1-CG2 4.36Å; L509-V511 HydrophobicContact CD2-CG2 4.06Å; L509-V511 HydrophobicContact CG-CG2 3.95Å; L509-A535 HydrophobicContact CD1-CB 3.85Å; L509-I537 HydrophobicContact CD1-CB 4.37Å; L509-I537 HydrophobicContact CD1-CD1 3.67Å; L509-I537 HydrophobicContact CD1-CG1 3.74Å; L509-I537 HydrophobicContact CD2-CD1 4.05Å; L509-I537 HydrophobicContact CG-CD1 4.44Å; L509-E553 HydrophobicContact CD1-CB 4.23Å; L509-E553 HydrophobicContact CD2-CB 3.79Å; L509-A554 HydrophobicContact CD2-CB 4.34Å; L509-V557 HydrophobicContact CB-CG1 4.37Å; L509-V557 HydrophobicContact CB-CG2 3.75Å; L509-R560 PolarHBondContact N-O 2.74Å; L509-V561 HydrophobicContact CB-CG2 4.38Å; L509-V561 HydrophobicContact CD2-CG1 4.46Å; L509-V561 HydrophobicContact CD2-CG2 4.25Å; L509-V561 CarbonylContact O-C 3.41Å; L509-V561 WeakPolarHBondContact O-CA 3.46Å; L509-V562 PolarHBondContact O-N 3.17Å
510I98.8Very high97.8Very high0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-99.1124.5171.2-55.1170.5000109A520 V534 A535 I536 I537 V562 V564 I617 V621I510-A520 HydrophobicContact CG2-CB 3.69Å; I510-V534 HydrophobicContact CD1-CB 4.06Å; I510-V534 HydrophobicContact CD1-CG1 4.39Å; I510-V534 HydrophobicContact CD1-CG2 3.73Å; I510-V534 HydrophobicContact CG1-CB 4.42Å; I510-A535 PolarHBondContact N-O 3.5Å; I510-I536 HydrophobicContact CB-CG1 4.46Å; I510-I536 CarbonylContact O-C 3.59Å; I510-I536 WeakPolarHBondContact O-CA 3.44Å; I510-I537 PolarHBondContact O-N 2.78Å; I510-V562 CarbonylContact C-O 3.03Å; I510-V562 VanDerWaalsContact CA-O 3.31Å; I510-V562 WeakPolarHBondContact CA-O 3.49Å; I510-V562 HydrophobicContact CG1-CB 4.46Å; I510-V564 HydrophobicContact CG2-CG1 4.25Å; I510-I617 HydrophobicContact CD1-CG2 3.79Å; I510-V621 HydrophobicContact CD1-CG2 4.22Å; I510-V621 HydrophobicContact CG1-CG2 4.41Å
511V98.9Very high97.9Very high0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-112.4121.8175.4-179.20000109.2L509 I537 L539 L550 V561 V562 T563 V564 I573 V577L509-V511 HydrophobicContact CD1-CG2 4.36Å; L509-V511 HydrophobicContact CD2-CG2 4.06Å; L509-V511 HydrophobicContact CG-CG2 3.95Å; V511-I537 HydrophobicContact CG2-CB 4.39Å; V511-L539 HydrophobicContact CG1-CB 4.28Å; V511-L539 HydrophobicContact CG1-CD1 4.08Å; V511-L539 HydrophobicContact CG1-CD2 4.43Å; V511-L550 HydrophobicContact CG1-CD2 4.28Å; V511-L550 HydrophobicContact CG2-CD2 3.82Å; V511-V561 HydrophobicContact CG2-CG1 4.17Å; V511-V562 PolarHBondContact N-O 3.03Å; V511-T563 HydrophobicContact CB-CG2 4.15Å; V511-T563 WeakPolarHBondContact O-CA 3.17Å; V511-V564 PolarHBondContact O-N 3.48Å; V511-I573 HydrophobicContact CG1-CG2 4.46Å; V511-V577 HydrophobicContact CG1-CG2 3.95Å
512A98.8Very high97.9Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-143.6169.7-17600000111.3L517 A520 I537 L539 V564A512-L517 HydrophobicContact CB-CB 4.36Å; A512-L517 HydrophobicContact CB-CD1 4.2Å; A512-A520 HydrophobicContact CB-CB 4.2Å; A512-I537 PolarHBondContact N-O 2.73Å; A512-I537 VanDerWaalsContact N-O 3.07Å; A512-L539 PolarHBondContact O-N 2.87Å; A512-V564 HydrophobicContact CB-CG1 3.65Å
513A98.7Very high98Very high0 Ų025.6 Ų25.60%013%0.132CC..  trans-157.3154.9171.700000110.7Y452 T516 L539 I573Y452-A513 HydrophobicContact CD1-CB 3.6Å; Y452-A513 HydrophobicContact CE1-CB 4.28Å; Y452-A513 WeakPolarHBondContact CE1-O 3.46Å; Y452-A513 HydrophobicContact CG-CB 4.04Å; A513-T516 PolarHBondContact O-OG1 3.21Å; A513-L539 HydrophobicContact CB-CB 4.27Å; A513-I573 HydrophobicContact CB-CD1 3.84Å
514G98.4Very high98.1Very high1 Ų124.1 Ų24.11%0.0112%0.122CC..THydrogen-bonded Turntrans65.2-137.5179.900000112.1S454 T516 L517 F518S454-G514 PolarHBondContact OG-N 3.23Å; G514-T516 VanDerWaalsContact C-N 3.27Å; G514-T516 PolarHBondContact O-N 3.34Å; G514-L517 WeakPolarHBondContact O-CB 3.19Å; G514-L517 PolarHBondContact O-N 2.96Å; G514-F518 WeakPolarHBondContact O-CD2 3.49Å; G514-F518 WeakPolarHBondContact O-CE2 3.43Å
515V97.9Very high98.3Very high8 Ų820 Ų205%0.04810%0.1CC..Hα-helixtrans-61-32.2-178.6-65.30000113.6P480 T482 L517 F518 D566P480-V515 HydrophobicContact CG-CG1 4.29Å; T482-V515 HydrophobicContact CG2-CG1 4.39Å; V515-L517 PolarHBondContact O-N 3.12Å; V515-F518 PolarHBondContact O-N 3.09Å; V515-D566 HydrophobicContact CG2-CB 3.89Å
516T98.7Very high98.4Very high0 Ų019.1 Ų19.10%09%0.093CC..Hα-helixtrans-73.9-16.6-177.7610000112.8A513 G514 F518 E519 A520 V564 D566 I612A513-T516 PolarHBondContact O-OG1 3.21Å; G514-T516 VanDerWaalsContact C-N 3.27Å; G514-T516 PolarHBondContact O-N 3.34Å; T516-F518 VanDerWaalsContact C-N 3.29Å; T516-F518 PolarHBondContact O-N 3.25Å; T516-E519 PolarHBondContact O-N 3.44Å; T516-A520 PolarHBondContact O-N 2.93Å; T516-V564 HydrophobicContact CG2-CG2 4.04Å; T516-V564 PolarHBondContact OG1-O 2.9Å; T516-D566 HydrophobicContact CG2-CB 4.05Å; T516-I612 HydrophobicContact CG2-CD1 4.34Å
517L98.8Very high98.4Very high0 Ų018.6 Ų18.60%09%0.09CC..Hα-helixtrans-61.5-40.9171.6-175.167.6000111.3S454 I485 I500 A512 G514 V515 E519 A520 I521 I536 D538S454-L517 VanDerWaalsContact CB-CD2 3.44Å; I485-L517 HydrophobicContact CD1-CD2 3.74Å; I500-L517 HydrophobicContact CG1-CD1 4.08Å; I500-L517 HydrophobicContact CG1-CD2 4.36Å; A512-L517 HydrophobicContact CB-CB 4.36Å; A512-L517 HydrophobicContact CB-CD1 4.2Å; G514-L517 WeakPolarHBondContact O-CB 3.19Å; G514-L517 PolarHBondContact O-N 2.96Å; V515-L517 PolarHBondContact O-N 3.12Å; L517-E519 VanDerWaalsContact C-N 3.34Å; L517-A520 WeakPolarHBondContact O-CB 3.35Å; L517-A520 PolarHBondContact O-N 2.74Å; L517-I521 HydrophobicContact CG-CD1 4.29Å; L517-I521 WeakPolarHBondContact O-CG1 3.22Å; L517-I521 PolarHBondContact O-N 2.89Å; L517-I536 HydrophobicContact CD1-CG2 3.72Å; L517-D538 HydrophobicContact CD1-CB 3.88Å; L517-D538 HydrophobicContact CD2-CB 3.72Å; L517-D538 HydrophobicContact CG-CB 4.44Å
518F98.6Very high98.4Very high18 Ų1822.4 Ų22.48%0.07911%0.105CC..Hα-helixtrans-72.3-31.3179.6-56.2-81.7000111.9S454 D455 T482 P483 I485 G514 V515 T516 I521 K522S454-F518 WeakPolarHBondContact O-CE2 3.41Å; S454-F518 VanDerWaalsContact O-CZ 3.24Å; S454-F518 WeakPolarHBondContact O-CZ 3.43Å; D455-F518 HydrophobicContact CB-CZ 4.39Å; T482-F518 VanDerWaalsContact CB-CZ 3.42Å; T482-F518 HydrophobicContact CG2-CD2 3.52Å; T482-F518 HydrophobicContact CG2-CE2 3.42Å; T482-F518 VanDerWaalsContact CG2-CE2 3.42Å; T482-F518 HydrophobicContact CG2-CG 4.31Å; T482-F518 HydrophobicContact CG2-CZ 4.11Å; P483-F518 HydrophobicContact CB-CE1 4.3Å; P483-F518 HydrophobicContact CG-CD1 4.23Å; P483-F518 HydrophobicContact CG-CE1 4.32Å; P483-F518 VanDerWaalsContact O-CE1 3.26Å; P483-F518 WeakPolarHBondContact O-CE1 3.34Å; I485-F518 HydrophobicContact CG2-CE1 3.99Å; G514-F518 WeakPolarHBondContact O-CD2 3.49Å; G514-F518 WeakPolarHBondContact O-CE2 3.43Å; V515-F518 PolarHBondContact O-N 3.09Å; T516-F518 VanDerWaalsContact C-N 3.29Å; T516-F518 PolarHBondContact O-N 3.25Å; F518-I521 HydrophobicContact CD1-CD1 4.44Å; F518-I521 PolarHBondContact O-N 3.41Å; F518-K522 VanDerWaalsContact O-CG 3.27Å; F518-K522 WeakPolarHBondContact O-CG 3.24Å; F518-K522 PolarHBondContact O-N 3.32Å
519E98.7Very high98.3Very high15 Ų1529.2 Ų29.27%0.0714%0.142CC..Hα-helixtrans-66.4-38.4169.5-64.5-55.7114.600111.4T516 L517 K522 A523 M607 A614 I617T516-E519 PolarHBondContact O-N 3.44Å; L517-E519 VanDerWaalsContact C-N 3.34Å; E519-K522 PolarHBondContact O-N 2.88Å; E519-K522 IonicContact OE1-NZ 2.98Å; E519-K522 PolarHBondContact OE1-NZ 3.1Å; E519-A523 WeakPolarHBondContact O-CB 3.49Å; E519-A523 PolarHBondContact O-N 3.06Å; E519-M607 HydrophobicContact CG-CE 4.39Å; E519-M607 HydrophobicContact CG-SD 4.03Å; E519-A614 WeakPolarHBondContact O-CB 3.19Å; E519-A614 WeakPolarHBondContact OE2-CB 3.5Å; E519-A614 PolarHBondContact OE2-N 2.98Å; E519-I617 HydrophobicContact CB-CD1 3.87Å
520A98.8Very high98.2Very high0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-64.8-42.2173.800000112.6I510 A512 T516 L517 A523 A524 I536 I617I510-A520 HydrophobicContact CG2-CB 3.69Å; A512-A520 HydrophobicContact CB-CB 4.2Å; T516-A520 PolarHBondContact O-N 2.93Å; L517-A520 WeakPolarHBondContact O-CB 3.35Å; L517-A520 PolarHBondContact O-N 2.74Å; A520-A523 PolarHBondContact O-N 3.3Å; A520-A524 WeakPolarHBondContact O-CB 3.3Å; A520-A524 PolarHBondContact O-N 3.29Å; A520-I536 HydrophobicContact CB-CD1 4.36Å; A520-I536 HydrophobicContact CB-CG2 4.31Å; A520-I617 HydrophobicContact CB-CD1 4.3Å
521I98.6Very high98Very high30 Ų3037.9 Ų37.915%0.15420%0.197CC..Hα-helixtrans-60.8-47.3175.4-68.3167.1000110.5I500 L517 F518 A523 A524 D525 I536I500-I521 HydrophobicContact CG2-CD1 3.99Å; I500-I521 HydrophobicContact CG2-CG1 4.06Å; L517-I521 HydrophobicContact CG-CD1 4.29Å; L517-I521 WeakPolarHBondContact O-CG1 3.22Å; L517-I521 PolarHBondContact O-N 2.89Å; F518-I521 HydrophobicContact CD1-CD1 4.44Å; F518-I521 PolarHBondContact O-N 3.41Å; I521-A523 VanDerWaalsContact C-N 3.34Å; I521-A523 PolarHBondContact O-N 2.92Å; I521-A524 PolarHBondContact O-N 2.94Å; I521-D525 PolarHBondContact O-N 3.18Å; I521-D525 VanDerWaalsContact O-N 3.12Å; I521-I536 HydrophobicContact CG1-CD1 4.13Å
522K98.3Very high98Very high95 Ų9538.9 Ų38.941%0.41320%0.203SC..Hα-helixtrans-60.4-42.1175.3-71.3170.8-170.5170.90112F518 E519 A524 D525 Q526 A614F518-K522 VanDerWaalsContact O-CG 3.27Å; F518-K522 WeakPolarHBondContact O-CG 3.24Å; F518-K522 PolarHBondContact O-N 3.32Å; E519-K522 PolarHBondContact O-N 2.88Å; E519-K522 IonicContact OE1-NZ 2.98Å; E519-K522 PolarHBondContact OE1-NZ 3.1Å; K522-A524 VanDerWaalsContact C-N 3.35Å; K522-D525 PolarHBondContact O-N 2.96Å; K522-Q526 WeakPolarHBondContact O-CG 3.14Å; K522-Q526 PolarHBondContact O-N 2.84Å; K522-Q526 VanDerWaalsContact O-N 3.15Å; K522-A614 HydrophobicContact CB-CB 3.74Å; K522-A614 HydrophobicContact CD-CB 4.5Å
523A98.6Very high97.9Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-63.5-40.9177.800000111.8E519 A520 I521 D525 Q526 L527 A614 I617 V618E519-A523 WeakPolarHBondContact O-CB 3.49Å; E519-A523 PolarHBondContact O-N 3.06Å; A520-A523 PolarHBondContact O-N 3.3Å; I521-A523 VanDerWaalsContact C-N 3.34Å; I521-A523 PolarHBondContact O-N 2.92Å; A523-D525 VanDerWaalsContact C-N 3.33Å; A523-D525 PolarHBondContact O-N 3.12Å; A523-Q526 PolarHBondContact O-N 2.61Å; A523-L527 WeakPolarHBondContact O-CB 3.48Å; A523-L527 WeakPolarHBondContact O-CG 3.4Å; A523-L527 PolarHBondContact O-N 2.74Å; A523-A614 HydrophobicContact CB-CB 4.25Å; A523-I617 HydrophobicContact CB-CB 3.72Å; A523-I617 HydrophobicContact CB-CD1 4.39Å; A523-I617 HydrophobicContact CB-CG2 3.57Å; A523-V618 HydrophobicContact CB-CG2 3.88Å
524A98.3Very high97.9Very high5 Ų543.5 Ų43.54%0.04122%0.224CC..Hα-helixtrans-65.2-34.7176.900000112.9A520 I521 K522 K528 V534 I536A520-A524 WeakPolarHBondContact O-CB 3.3Å; A520-A524 PolarHBondContact O-N 3.29Å; I521-A524 PolarHBondContact O-N 2.94Å; K522-A524 VanDerWaalsContact C-N 3.35Å; A524-K528 VanDerWaalsContact O-CB 3.3Å; A524-K528 WeakPolarHBondContact O-CB 3.45Å; A524-K528 PolarHBondContact O-N 3.45Å; A524-V534 HydrophobicContact CB-CG2 3.51Å; A524-I536 HydrophobicContact CB-CD1 3.75Å; A524-I536 HydrophobicContact CB-CG1 4.48Å
525D97.8Very high97.9Very high70 Ų7043.4 Ų43.437%0.37422%0.223SC..Hα-helixtrans-63.4-45.3171.3-69.1-30.7000111.3R501 I521 K522 A523 L527 K528 D529R501-D525 IonicContact CZ-OD1 3.72Å; R501-D525 IonicContact NH1-OD1 3.51Å; R501-D525 PolarHBondContact NH1-OD1 2.64Å; R501-D525 VanDerWaalsContact NH2-CG 3.3Å; R501-D525 IonicContact NH2-OD1 3.07Å; R501-D525 PolarHBondContact NH2-OD1 3.21Å; R501-D525 IonicContact NH2-OD2 2.67Å; R501-D525 PolarHBondContact NH2-OD2 3.13Å; I521-D525 PolarHBondContact O-N 3.18Å; I521-D525 VanDerWaalsContact O-N 3.12Å; K522-D525 PolarHBondContact O-N 2.96Å; A523-D525 VanDerWaalsContact C-N 3.33Å; A523-D525 PolarHBondContact O-N 3.12Å; D525-L527 PolarHBondContact O-N 3.23Å; D525-K528 PolarHBondContact O-N 2.9Å; D525-D529 PolarHBondContact O-N 3.43Å
526Q98.3Very high98Very high85 Ų8543 Ų4340%0.39722%0.221SC..Hα-helixtrans-65.6-36.5177.6-66.7173.423.200113.3K522 A523 V618K522-Q526 WeakPolarHBondContact O-CG 3.14Å; K522-Q526 PolarHBondContact O-N 2.84Å; K522-Q526 VanDerWaalsContact O-N 3.15Å; A523-Q526 PolarHBondContact O-N 2.61Å; Q526-V618 HydrophobicContact CB-CG2 3.99Å
527L98.3Very high98Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-70-39.1176.4-76.1161.9000111.5A523 D525 D529 K530 G531 V532 V534 V618 V621 E622A523-L527 WeakPolarHBondContact O-CB 3.48Å; A523-L527 WeakPolarHBondContact O-CG 3.4Å; A523-L527 PolarHBondContact O-N 2.74Å; D525-L527 PolarHBondContact O-N 3.23Å; L527-D529 VanDerWaalsContact C-N 3.28Å; L527-D529 PolarHBondContact O-N 3.34Å; L527-K530 CarbonylContact O-C 3.55Å; L527-K530 WeakPolarHBondContact O-CA 3.17Å; L527-K530 WeakPolarHBondContact O-CB 3.39Å; L527-K530 PolarHBondContact O-N 2.91Å; L527-G531 PolarHBondContact O-N 3.07Å; L527-G531 VanDerWaalsContact O-N 3.16Å; L527-V532 CarbonylContact C-O 3.55Å; L527-V532 HydrophobicContact CB-CB 4.12Å; L527-V532 HydrophobicContact CB-CG1 4.33Å; L527-V532 HydrophobicContact CD2-CB 4.07Å; L527-V532 HydrophobicContact CD2-CG1 4.04Å; L527-V532 PolarHBondContact O-N 2.89Å; L527-V534 HydrophobicContact CD1-CG1 3.91Å; L527-V534 HydrophobicContact CD1-CG2 4.25Å; L527-V618 HydrophobicContact CD2-CG1 4Å; L527-V618 HydrophobicContact CG-CG1 4.4Å; L527-V618 HydrophobicContact CG-CG2 4.13Å; L527-V621 HydrophobicContact CD1-CB 3.97Å; L527-V621 HydrophobicContact CD1-CG1 3.86Å; L527-V621 HydrophobicContact CD1-CG2 3.93Å; L527-V621 HydrophobicContact CD2-CB 4.2Å; L527-V621 HydrophobicContact CD2-CG1 3.87Å; L527-E622 HydrophobicContact CD2-CG 4.34Å
528K96.5Very high98Very high143 Ų14343 Ų4362%0.62222%0.221SC*.Hα-helixtrans-59.3-40.4175.9-178.4-176.6175.5-174.70111.5A524 D525 K530 G531 V532A524-K528 VanDerWaalsContact O-CB 3.3Å; A524-K528 WeakPolarHBondContact O-CB 3.45Å; A524-K528 PolarHBondContact O-N 3.45Å; D525-K528 PolarHBondContact O-N 2.9Å; K528-K530 PolarHBondContact O-N 3.21Å; K528-G531 PolarHBondContact O-N 2.92Å; K528-V532 WeakPolarHBondContact CA-O 3.14Å; K528-V532 PolarHBondContact N-O 3.27Å
529D95.6Very high98Very high144 Ų14442.2 Ų42.277%0.7722%0.217SC*.THydrogen-bonded Turntrans-63.4-21175.5-68-18.6000112.8D525 L527D525-D529 PolarHBondContact O-N 3.43Å; L527-D529 VanDerWaalsContact C-N 3.28Å; L527-D529 PolarHBondContact O-N 3.34Å
530K96Very high98Very high120 Ų12041.5 Ų41.552%0.52221%0.214SC..THydrogen-bonded Turntrans-96.62.7174.3-62.1176.4176.1-178.90113.7L527 K528 E622L527-K530 CarbonylContact O-C 3.55Å; L527-K530 WeakPolarHBondContact O-CA 3.17Å; L527-K530 WeakPolarHBondContact O-CB 3.39Å; L527-K530 PolarHBondContact O-N 2.91Å; K528-K530 PolarHBondContact O-N 3.21Å; K530-E622 VanDerWaalsContact CD-OE1 3.29Å; K530-E622 WeakPolarHBondContact CD-OE1 3.41Å; K530-E622 IonicContact NZ-OE1 3.3Å; K530-E622 PolarHBondContact NZ-OE1 3.28Å; K530-E622 IonicContact NZ-OE2 2.82Å
531G96.5Very high98Very high62 Ų6241.5 Ų41.564%0.63921%0.214SC*.THydrogen-bonded Turntrans83.35.8-178.900000115.4L527 K528L527-G531 PolarHBondContact O-N 3.07Å; L527-G531 VanDerWaalsContact O-N 3.16Å; K528-G531 PolarHBondContact O-N 2.92Å
532V97.5Very high98Very high21 Ų2140.2 Ų40.213%0.12721%0.207CC..  trans-95.2129.3177.4175.40000109.7L527 K528 V534 V621 L625L527-V532 CarbonylContact C-O 3.55Å; L527-V532 HydrophobicContact CB-CB 4.12Å; L527-V532 HydrophobicContact CB-CG1 4.33Å; L527-V532 HydrophobicContact CD2-CB 4.07Å; L527-V532 HydrophobicContact CD2-CG1 4.04Å; L527-V532 PolarHBondContact O-N 2.89Å; K528-V532 WeakPolarHBondContact CA-O 3.14Å; K528-V532 PolarHBondContact N-O 3.27Å; V532-V534 HydrophobicContact CG1-CG1 4.23Å; V532-V621 HydrophobicContact CG1-CG1 4.02Å; V532-L625 HydrophobicContact CB-CD1 4.36Å; V532-L625 HydrophobicContact CG1-CD1 3.54Å; V532-L625 HydrophobicContact CG2-CD1 3.84Å
533K97.5Very high98Very high87 Ų8738 Ų3838%0.37820%0.198SC..  trans-108.5140.8177-69.1171.9178-174.70110.4D505 E507D505-K533 HydrophobicContact CB-CD 3.55Å; D505-K533 IonicContact OD2-NZ 3.44Å; D505-K533 PolarHBondContact OD2-NZ 3.3Å; E507-K533 PolarHBondContact N-O 3.44Å
534V98.6Very high98Very high9 Ų941 Ų416%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-137.2143.1-176.8-63.20000110.8V508 I510 A524 L527 V532 V621V508-V534 HydrophobicContact CB-CG1 4.09Å; V508-V534 CarbonylContact O-C 3.55Å; V508-V534 VanDerWaalsContact O-CA 3.29Å; V508-V534 WeakPolarHBondContact O-CA 3.34Å; V508-V534 WeakPolarHBondContact O-CB 3.27Å; I510-V534 HydrophobicContact CD1-CB 4.06Å; I510-V534 HydrophobicContact CD1-CG1 4.39Å; I510-V534 HydrophobicContact CD1-CG2 3.73Å; I510-V534 HydrophobicContact CG1-CB 4.42Å; A524-V534 HydrophobicContact CB-CG2 3.51Å; L527-V534 HydrophobicContact CD1-CG1 3.91Å; L527-V534 HydrophobicContact CD1-CG2 4.25Å; V532-V534 HydrophobicContact CG1-CG1 4.23Å; V534-V621 HydrophobicContact CG1-CG1 4.03Å; V534-V621 HydrophobicContact CG1-CG2 4.46Å
535A98.5Very high98Very high0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-81.1147.9168.200000109.5R501 D506 V508 L509 I510 V557R501-A535 WeakPolarHBondContact O-CA 3.35Å; D506-A535 HydrophobicContact CB-CB 4.19Å; D506-A535 WeakPolarHBondContact OD2-CB 3.38Å; V508-A535 PolarHBondContact O-N 3.05Å; L509-A535 HydrophobicContact CD1-CB 3.85Å; I510-A535 PolarHBondContact N-O 3.5Å; A535-V557 HydrophobicContact CB-CG1 4.45Å
536I98.8Very high98Very high0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-129126173.2-55.7177.6000109.7I500 R501 I510 L517 A520 I521 A524I500-I536 HydrophobicContact CB-CB 4.14Å; I500-I536 HydrophobicContact CB-CG2 4.09Å; I500-I536 HydrophobicContact CG1-CG2 4.37Å; I500-I536 PolarHBondContact N-O 2.97Å; R501-I536 HydrophobicContact CB-CB 4.33Å; R501-I536 HydrophobicContact CB-CD1 4.4Å; R501-I536 HydrophobicContact CB-CG1 4.24Å; R501-I536 HydrophobicContact CG-CD1 4.15Å; R501-I536 PolarHBondContact O-N 2.91Å; I510-I536 HydrophobicContact CB-CG1 4.46Å; I510-I536 CarbonylContact O-C 3.59Å; I510-I536 WeakPolarHBondContact O-CA 3.44Å; L517-I536 HydrophobicContact CD1-CG2 3.72Å; A520-I536 HydrophobicContact CB-CD1 4.36Å; A520-I536 HydrophobicContact CB-CG2 4.31Å; I521-I536 HydrophobicContact CG1-CD1 4.13Å; A524-I536 HydrophobicContact CB-CD1 3.75Å; A524-I536 HydrophobicContact CB-CG1 4.48Å
537I98.8Very high97.9Very high0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-105.9126167.8-70.4173.9000109.4K498 L509 I510 V511 A512 M549 L550 E553K498-I537 CarbonylContact O-C 3.55Å; K498-I537 WeakPolarHBondContact O-CA 3.39Å; L509-I537 HydrophobicContact CD1-CB 4.37Å; L509-I537 HydrophobicContact CD1-CD1 3.67Å; L509-I537 HydrophobicContact CD1-CG1 3.74Å; L509-I537 HydrophobicContact CD2-CD1 4.05Å; L509-I537 HydrophobicContact CG-CD1 4.44Å; I510-I537 PolarHBondContact O-N 2.78Å; V511-I537 HydrophobicContact CG2-CB 4.39Å; A512-I537 PolarHBondContact N-O 2.73Å; A512-I537 VanDerWaalsContact N-O 3.07Å; I537-M549 HydrophobicContact CD1-CG 4Å; I537-M549 HydrophobicContact CD1-SD 4.13Å; I537-M549 HydrophobicContact CG1-SD 4.25Å; I537-L550 HydrophobicContact CD1-CD2 4.21Å; I537-E553 HydrophobicContact CD1-CB 4.03Å; I537-E553 HydrophobicContact CD1-CG 4.05Å
538D98.8Very high97.8Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-81.1113.5156-178.35.3000108.2S454 Y486 S497 K498 I500 L517 F540S454-D538 VanDerWaalsContact CB-OD2 3.26Å; S454-D538 WeakPolarHBondContact CB-OD2 3.36Å; S454-D538 PolarHBondContact OG-OD1 3.13Å; S454-D538 PolarHBondContact OG-OD2 3.06Å; Y486-D538 WeakPolarHBondContact OH-CB 3.36Å; Y486-D538 PolarHBondContact OH-OD2 3.1Å; Y486-D538 VanDerWaalsContact OH-OD2 3.12Å; S497-D538 WeakPolarHBondContact CB-O 3.31Å; K498-D538 HydrophobicContact CB-CB 4.37Å; K498-D538 PolarHBondContact N-O 3.03Å; K498-D538 PolarHBondContact O-N 3Å; I500-D538 HydrophobicContact CD1-CB 4.08Å; I500-D538 HydrophobicContact CG1-CB 3.98Å; L517-D538 HydrophobicContact CD1-CB 3.88Å; L517-D538 HydrophobicContact CD2-CB 3.72Å; L517-D538 HydrophobicContact CG-CB 4.44Å; D538-F540 VanDerWaalsContact C-N 3.32Å; D538-F540 PolarHBondContact O-N 2.76Å; D538-F540 PolarHBondContact OD1-N 3.14Å
539L98.6Very high97.9Very high0 Ų039.2 Ų39.20%022%0.215CC..  trans-66.2-36.2-173.6-167.561.5000111.9S497 V511 A512 A513 S541 I542 I545 L550 I573S497-L539 PolarHBondContact OG-O 3.36Å; S497-L539 VanDerWaalsContact OG-O 3.13Å; V511-L539 HydrophobicContact CG1-CB 4.28Å; V511-L539 HydrophobicContact CG1-CD1 4.08Å; V511-L539 HydrophobicContact CG1-CD2 4.43Å; A512-L539 PolarHBondContact O-N 2.87Å; A513-L539 HydrophobicContact CB-CB 4.27Å; L539-S541 PolarHBondContact O-N 3.46Å; L539-I542 HydrophobicContact CD2-CG1 4.13Å; L539-I545 HydrophobicContact CD1-CD1 4.18Å; L539-I545 HydrophobicContact CD1-CG1 3.89Å; L539-I545 HydrophobicContact CD2-CD1 4.36Å; L539-L550 HydrophobicContact CD1-CD1 4.38Å; L539-L550 HydrophobicContact CD1-CD2 4.45Å; L539-I573 HydrophobicContact CD2-CB 4.46Å; L539-I573 HydrophobicContact CD2-CG1 4.21Å; L539-I573 HydrophobicContact CD2-CG2 3.72Å
540F98.8Very high97.9Very high0 Ų032.3 Ų32.30%018%0.178CC..  trans52.2-64-175.5178-105.1000115.6L451 Y452 A462 L465 F492 D538L451-F540 CarbonylContact C-O 3.48Å; L451-F540 WeakPolarHBondContact CA-O 3.49Å; L451-F540 HydrophobicContact CD1-CE1 4.42Å; L451-F540 HydrophobicContact CD1-CZ 4.15Å; L451-F540 HydrophobicContact CD2-CE1 4.24Å; Y452-F540 PolarHBondContact N-O 2.95Å; A462-F540 HydrophobicContact CB-CE2 4.03Å; A462-F540 HydrophobicContact CB-CZ 4.12Å; L465-F540 HydrophobicContact CD1-CE1 3.98Å; L465-F540 HydrophobicContact CD1-CZ 3.87Å; F492-F540 HydrophobicContact CB-CE1 3.85Å; F492-F540 HydrophobicContact CB-CE2 4.41Å; F492-F540 HydrophobicContact CB-CZ 3.77Å; F492-F540 HydrophobicContact CD1-CB 4.45Å; F492-F540 AromaticContact CD1-CD1 3.79Å; F492-F540 HydrophobicContact CD1-CD1 3.79Å; F492-F540 AromaticContact CD1-CD2 3.58Å; F492-F540 HydrophobicContact CD1-CD2 3.58Å; F492-F540 AromaticContact CD1-CE1 3.83Å; F492-F540 HydrophobicContact CD1-CE1 3.83Å; F492-F540 AromaticContact CD1-CE2 3.62Å; F492-F540 HydrophobicContact CD1-CE2 3.62Å; F492-F540 AromaticContact CD1-CG 3.67Å; F492-F540 HydrophobicContact CD1-CG 3.67Å; F492-F540 AromaticContact CD1-CZ 3.75Å; F492-F540 HydrophobicContact CD1-CZ 3.75Å; F492-F540 AromaticContact CE1-CD2 3.86Å; F492-F540 HydrophobicContact CE1-CD2 3.86Å; F492-F540 HydrophobicContact CE1-CE2 4.2Å; F492-F540 HydrophobicContact CE1-CG 4.09Å; F492-F540 HydrophobicContact CG-CE1 4.29Å; F492-F540 HydrophobicContact CG-CE2 4.19Å; F492-F540 HydrophobicContact CG-CZ 4.04Å; D538-F540 VanDerWaalsContact C-N 3.32Å; D538-F540 PolarHBondContact O-N 2.76Å; D538-F540 PolarHBondContact OD1-N 3.14Å
541S98.8Very high98Very high0 Ų028 Ų280%016%0.16CC..EExtended strand (participates in β ladder)trans-97.7106175.8-170.50000111G495 L539 P544G495-S541 PolarHBondContact N-OG 3.28Å; L539-S541 PolarHBondContact O-N 3.46Å; S541-P544 CarbonylContact C-O 3.55Å; S541-P544 WeakPolarHBondContact CB-O 3.46Å; S541-P544 PolarHBondContact OG-O 2.94Å
542I98.8Very high97.9Very high3 Ų330.6 Ų30.62%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-80.1-33176.5-53.9177.3000110.5I439 R443 V450 Y452 L539 I573 A576I439-I542 HydrophobicContact CD1-CD1 3.77Å; I439-I542 HydrophobicContact CG1-CD1 4.05Å; I439-I542 HydrophobicContact CG2-CD1 4.07Å; I439-I542 HydrophobicContact CG2-CG2 3.9Å; R443-I542 HydrophobicContact CG-CG2 4.38Å; V450-I542 HydrophobicContact CB-CB 4.32Å; V450-I542 HydrophobicContact CG1-CB 4.02Å; V450-I542 HydrophobicContact CG1-CD1 4.18Å; V450-I542 HydrophobicContact CG1-CG1 4.47Å; V450-I542 PolarHBondContact O-N 3.19Å; Y452-I542 HydrophobicContact CD1-CD1 4.19Å; Y452-I542 HydrophobicContact CG-CD1 4.46Å; L539-I542 HydrophobicContact CD2-CG1 4.13Å; I542-I573 HydrophobicContact CD1-CD1 4.16Å; I542-I573 HydrophobicContact CD1-CG1 3.88Å; I542-I573 HydrophobicContact CG1-CG1 4.29Å; I542-A576 HydrophobicContact CG2-CB 4.48Å
543K98.8Very high97.8Very high49 Ų4929.9 Ų29.921%0.21315%0.151CC..EExtended strand (participates in β ladder)trans-145.3123174.6-175.4-179.4173.8-174.90110.4R443 L445 S448 T449 V450R443-K543 HydrophobicContact CB-CD 4.49Å; R443-K543 HydrophobicContact CG-CB 4.34Å; R443-K543 HydrophobicContact CG-CD 4.46Å; R443-K543 PolarHBondContact O-NZ 3.03Å; L445-K543 PolarHBondContact O-NZ 3.21Å; S448-K543 WeakPolarHBondContact O-CE 3.27Å; S448-K543 PolarHBondContact OG-NZ 3.35Å; T449-K543 CarbonylContact C-O 3.57Å; T449-K543 VanDerWaalsContact CA-O 3.29Å; T449-K543 WeakPolarHBondContact CA-O 3.48Å; V450-K543 HydrophobicContact CB-CB 4.01Å; V450-K543 HydrophobicContact CG2-CB 4.11Å; V450-K543 PolarHBondContact N-O 2.79Å; V450-K543 PolarHBondContact O-N 3.04Å
544P98.6Very high97.8Very high64 Ų6425.7 Ų25.742%0.41613%0.133SC..SBendcis-58.8153.1-14.727.1-34.1000111.2I494 G495 S541I494-P544 HydrophobicContact CG2-CG 3.79Å; G495-P544 WeakPolarHBondContact CA-O 3.34Å; S541-P544 CarbonylContact C-O 3.55Å; S541-P544 WeakPolarHBondContact CB-O 3.46Å; S541-P544 PolarHBondContact OG-O 2.94Å
545I98.2Very high97.6Very high30 Ų3029.5 Ų29.515%0.15415%0.153CC..  trans-96148.1179.8-164.2170000109.8L539 S547 L550 A576 V577 V580L539-I545 HydrophobicContact CD1-CD1 4.18Å; L539-I545 HydrophobicContact CD1-CG1 3.89Å; L539-I545 HydrophobicContact CD2-CD1 4.36Å; I545-S547 VanDerWaalsContact C-N 3.27Å; I545-S547 PolarHBondContact O-N 3.24Å; I545-L550 HydrophobicContact CD1-CD1 3.5Å; I545-L550 HydrophobicContact CG1-CD1 3.61Å; I545-A576 HydrophobicContact CD1-CB 3.96Å; I545-V577 HydrophobicContact CD1-CG2 3.98Å; I545-V580 HydrophobicContact CD1-CG2 4.23Å; I545-V580 HydrophobicContact CG2-CG2 3.39Å
546D98.2Very high97.4Very high4 Ų433 Ų332%0.02117%0.166CC..  trans-77.475178.9-164.4-3.5000111.5G495 K496 S497 E548 M549 L550G495-D546 WeakPolarHBondContact O-CA 3.26Å; G495-D546 WeakPolarHBondContact O-CB 3.24Å; K496-D546 WeakPolarHBondContact CA-OD2 3.08Å; K496-D546 WeakPolarHBondContact CD-OD2 3.26Å; K496-D546 IonicContact NZ-OD1 2.68Å; K496-D546 PolarHBondContact NZ-OD1 3.02Å; S497-D546 PolarHBondContact N-OD2 3.08Å; S497-D546 VanDerWaalsContact OG-CB 3.26Å; S497-D546 WeakPolarHBondContact OG-CB 3.35Å; D546-E548 VanDerWaalsContact C-N 3.26Å; D546-E548 PolarHBondContact O-N 3.07Å; D546-M549 HydrophobicContact CB-CB 4.42Å; D546-M549 PolarHBondContact O-N 2.97Å; D546-M549 WeakPolarHBondContact OD2-CB 3.5Å; D546-L550 WeakPolarHBondContact O-CG 3.41Å; D546-L550 PolarHBondContact O-N 2.81Å; D546-L550 VanDerWaalsContact O-N 3.14Å
547S96.9Very high97.2Very high50 Ų5033.2 Ų33.235%0.3517%0.167SC..Hα-helixtrans-57.7-39.2-175.5-57.40000112.7I545 L550 I551I545-S547 VanDerWaalsContact C-N 3.27Å; I545-S547 PolarHBondContact O-N 3.24Å; S547-L550 PolarHBondContact O-N 3.27Å; S547-I551 WeakPolarHBondContact O-CB 3.32Å; S547-I551 VanDerWaalsContact O-CD1 3.24Å; S547-I551 WeakPolarHBondContact O-CD1 3.41Å; S547-I551 WeakPolarHBondContact O-CG1 3.47Å; S547-I551 PolarHBondContact O-N 2.64Å
548E96.2Very high96.9Very high136 Ų13635.9 Ų35.964%0.63620%0.195SC*.Hα-helixtrans-60.3-53.8-178.4-66.4172.1166.100111.4K496 D546 L550 I551 E552K496-E548 IonicContact NZ-OE2 3.94Å; K496-E548 PolarHBondContact NZ-OE2 2.81Å; D546-E548 VanDerWaalsContact C-N 3.26Å; D546-E548 PolarHBondContact O-N 3.07Å; E548-L550 PolarHBondContact O-N 2.75Å; E548-I551 PolarHBondContact O-N 3.18Å; E548-E552 WeakPolarHBondContact O-CB 3.25Å; E548-E552 PolarHBondContact O-N 2.82Å
549M96.9Very high96.7Very high44 Ų4436 Ų3622%0.21720%0.197CC..Hα-helixtrans-64.2-40.6180-175-178.4-64.400111.7I537 D546 I551 E552 E553I537-M549 HydrophobicContact CD1-CG 4Å; I537-M549 HydrophobicContact CD1-SD 4.13Å; I537-M549 HydrophobicContact CG1-SD 4.25Å; D546-M549 HydrophobicContact CB-CB 4.42Å; D546-M549 PolarHBondContact O-N 2.97Å; D546-M549 WeakPolarHBondContact OD2-CB 3.5Å; M549-I551 PolarHBondContact O-N 2.82Å; M549-E552 PolarHBondContact O-N 2.89Å; M549-E553 HydrophobicContact CG-CG 4.16Å; M549-E553 WeakPolarHBondContact O-CB 3.11Å; M549-E553 WeakPolarHBondContact O-CG 3.4Å; M549-E553 PolarHBondContact O-N 2.92Å
550L97.4Very high96.7Very high0 Ų039.4 Ų39.40%021%0.209CC..Hα-helixtrans-61.5-44.5179-73.2173.5000111.7V511 I537 L539 I545 D546 S547 E548 A554 V577 V580 L581V511-L550 HydrophobicContact CG1-CD2 4.28Å; V511-L550 HydrophobicContact CG2-CD2 3.82Å; I537-L550 HydrophobicContact CD1-CD2 4.21Å; L539-L550 HydrophobicContact CD1-CD1 4.38Å; L539-L550 HydrophobicContact CD1-CD2 4.45Å; I545-L550 HydrophobicContact CD1-CD1 3.5Å; I545-L550 HydrophobicContact CG1-CD1 3.61Å; D546-L550 WeakPolarHBondContact O-CG 3.41Å; D546-L550 PolarHBondContact O-N 2.81Å; D546-L550 VanDerWaalsContact O-N 3.14Å; S547-L550 PolarHBondContact O-N 3.27Å; E548-L550 PolarHBondContact O-N 2.75Å; L550-A554 WeakPolarHBondContact O-CB 3.3Å; L550-A554 PolarHBondContact O-N 3.43Å; L550-V577 HydrophobicContact CD1-CG2 4.23Å; L550-V577 HydrophobicContact CD2-CG1 4.49Å; L550-V577 HydrophobicContact CD2-CG2 4.44Å; L550-V580 HydrophobicContact CB-CG1 4.32Å; L550-V580 HydrophobicContact CD1-CG1 4.36Å; L550-V580 HydrophobicContact CD1-CG2 4.45Å; L550-L581 HydrophobicContact CB-CD2 4.4Å
551I96.2Very high96.6Very high28 Ų2839.4 Ų39.414%0.14421%0.209CC..Hα-helixtrans-67.4-45.2179.2-66.4159.7000110.6S547 E548 M549 N555 V580 L581 F584S547-I551 WeakPolarHBondContact O-CB 3.32Å; S547-I551 VanDerWaalsContact O-CD1 3.24Å; S547-I551 WeakPolarHBondContact O-CD1 3.41Å; S547-I551 WeakPolarHBondContact O-CG1 3.47Å; S547-I551 PolarHBondContact O-N 2.64Å; E548-I551 PolarHBondContact O-N 3.18Å; M549-I551 PolarHBondContact O-N 2.82Å; I551-N555 WeakPolarHBondContact CG2-ND2 3.35Å; I551-N555 WeakPolarHBondContact O-CB 3.36Å; I551-N555 VanDerWaalsContact O-CG 3.28Å; I551-N555 PolarHBondContact O-N 3.14Å; I551-N555 PolarHBondContact O-ND2 2.89Å; I551-V580 HydrophobicContact CD1-CG1 4.28Å; I551-V580 HydrophobicContact CG1-CG1 4.08Å; I551-L581 HydrophobicContact CG1-CD2 4.14Å; I551-F584 HydrophobicContact CD1-CD1 4.05Å; I551-F584 HydrophobicContact CD1-CD2 3.43Å; I551-F584 VanDerWaalsContact CD1-CD2 3.43Å; I551-F584 HydrophobicContact CD1-CE1 3.9Å; I551-F584 HydrophobicContact CD1-CE2 3.27Å; I551-F584 HydrophobicContact CD1-CG 3.84Å; I551-F584 HydrophobicContact CD1-CZ 3.52Å; I551-F584 HydrophobicContact CG1-CB 4.37Å; I551-F584 HydrophobicContact CG1-CD1 4.43Å; I551-F584 HydrophobicContact CG1-CD2 3.71Å; I551-F584 HydrophobicContact CG1-CE2 4.09Å; I551-F584 HydrophobicContact CG1-CG 3.91Å; I551-F584 HydrophobicContact CG2-CB 4.2Å; I551-F584 HydrophobicContact CG2-CD1 4.01Å; I551-F584 HydrophobicContact CG2-CG 4.03Å
552E95.3Very high96.6Very high118 Ų11839.4 Ų39.455%0.55121%0.209SC*.Hα-helixtrans-58.7-53.6179-176.5-176.3162.700111.2E548 M549 N555 R556E548-E552 WeakPolarHBondContact O-CB 3.25Å; E548-E552 PolarHBondContact O-N 2.82Å; M549-E552 PolarHBondContact O-N 2.89Å; E552-N555 PolarHBondContact O-N 3.23Å; E552-R556 WeakPolarHBondContact O-CB 3.41Å; E552-R556 PolarHBondContact O-N 3.28Å
553E96.4Very high96.6Very high5 Ų539.2 Ų39.22%0.02321%0.209CC..Hα-helixtrans-71.5-36.2-175.7-67-62.9140.300112.2I499 K502 L509 I537 M549 R556 V557I499-E553 HydrophobicContact CD1-CG 4.17Å; K502-E553 WeakPolarHBondContact CE-OE1 3.38Å; K502-E553 IonicContact NZ-OE1 2.77Å; K502-E553 PolarHBondContact NZ-OE1 2.94Å; K502-E553 IonicContact NZ-OE2 3.46Å; L509-E553 HydrophobicContact CD1-CB 4.23Å; L509-E553 HydrophobicContact CD2-CB 3.79Å; I537-E553 HydrophobicContact CD1-CB 4.03Å; I537-E553 HydrophobicContact CD1-CG 4.05Å; M549-E553 HydrophobicContact CG-CG 4.16Å; M549-E553 WeakPolarHBondContact O-CB 3.11Å; M549-E553 WeakPolarHBondContact O-CG 3.4Å; M549-E553 PolarHBondContact O-N 2.92Å; E553-R556 PolarHBondContact O-N 2.91Å; E553-R556 IonicContact OE1-NE 3.17Å; E553-R556 IonicContact OE2-CZ 3.28Å; E553-R556 IonicContact OE2-NE 2.96Å; E553-R556 PolarHBondContact OE2-NE 3.28Å; E553-R556 IonicContact OE2-NH2 2.71Å; E553-R556 PolarHBondContact OE2-NH2 3.35Å; E553-V557 WeakPolarHBondContact O-CG2 3.45Å; E553-V557 PolarHBondContact O-N 3.15Å
554A96.3Very high96.6Very high0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-62.6-44.3174.300000111.3L509 L550 R556 V557 G558 G559 V561 L581L509-A554 HydrophobicContact CD2-CB 4.34Å; L550-A554 WeakPolarHBondContact O-CB 3.3Å; L550-A554 PolarHBondContact O-N 3.43Å; A554-R556 VanDerWaalsContact C-N 3.35Å; A554-V557 WeakPolarHBondContact O-CG2 3.26Å; A554-V557 PolarHBondContact O-N 3.12Å; A554-G558 PolarHBondContact O-N 3.29Å; A554-G559 WeakPolarHBondContact O-CA 3.48Å; A554-G559 PolarHBondContact O-N 3.14Å; A554-V561 HydrophobicContact CB-CG2 3.71Å; A554-L581 HydrophobicContact CB-CD1 4.1Å; A554-L581 HydrophobicContact CB-CD2 3.83Å
555N94Very high96.7Very high89 Ų8933.9 Ų33.948%0.47618%0.179SC..Hα-helixtrans-63.4-42.1176.1-77.1-39.2000111.7I551 E552 V557 G558I551-N555 WeakPolarHBondContact CG2-ND2 3.35Å; I551-N555 WeakPolarHBondContact O-CB 3.36Å; I551-N555 VanDerWaalsContact O-CG 3.28Å; I551-N555 PolarHBondContact O-N 3.14Å; I551-N555 PolarHBondContact O-ND2 2.89Å; E552-N555 PolarHBondContact O-N 3.23Å; N555-V557 VanDerWaalsContact C-N 3.29Å; N555-V557 PolarHBondContact O-N 2.83Å; N555-G558 PolarHBondContact O-N 2.73Å
556R94.5Very high96.7Very high74 Ų7432.4 Ų32.428%0.27917%0.171SC..Hα-helixtrans-58.6-38.9-178.9-170.7-178.364.978.1-3112.8S503 D506 E552 E553 A554 G558S503-R556 PolarHBondContact O-NH1 2.87Å; D506-R556 IonicContact OD2-CZ 2.72Å; D506-R556 IonicContact OD2-NH1 2.64Å; D506-R556 PolarHBondContact OD2-NH1 3.22Å; D506-R556 IonicContact OD2-NH2 2.77Å; D506-R556 PolarHBondContact OD2-NH2 3.28Å; E552-R556 WeakPolarHBondContact O-CB 3.41Å; E552-R556 PolarHBondContact O-N 3.28Å; E553-R556 PolarHBondContact O-N 2.91Å; E553-R556 IonicContact OE1-NE 3.17Å; E553-R556 IonicContact OE2-CZ 3.28Å; E553-R556 IonicContact OE2-NE 2.96Å; E553-R556 PolarHBondContact OE2-NE 3.28Å; E553-R556 IonicContact OE2-NH2 2.71Å; E553-R556 PolarHBondContact OE2-NH2 3.35Å; A554-R556 VanDerWaalsContact C-N 3.35Å; R556-G558 VanDerWaalsContact C-N 3.3Å; R556-G558 PolarHBondContact O-N 3.46Å
557V95.4Very high96.7Very high3 Ų332.2 Ų32.22%0.01817%0.17CC..THydrogen-bonded Turntrans-88.38.2178.7-55.80000113.7D506 L509 A535 E553 A554 N555 R560D506-V557 HydrophobicContact CB-CG1 3.95Å; L509-V557 HydrophobicContact CB-CG1 4.37Å; L509-V557 HydrophobicContact CB-CG2 3.75Å; A535-V557 HydrophobicContact CB-CG1 4.45Å; E553-V557 WeakPolarHBondContact O-CG2 3.45Å; E553-V557 PolarHBondContact O-N 3.15Å; A554-V557 WeakPolarHBondContact O-CG2 3.26Å; A554-V557 PolarHBondContact O-N 3.12Å; N555-V557 VanDerWaalsContact C-N 3.29Å; N555-V557 PolarHBondContact O-N 2.83Å; V557-R560 WeakPolarHBondContact CG2-O 3.49Å; V557-R560 PolarHBondContact O-NE 2.99Å; V557-R560 PolarHBondContact O-NH2 3.02Å; V557-R560 VanDerWaalsContact O-NH2 3.09Å
558G92.8Very high96.8Very high57 Ų5732.5 Ų32.559%0.58816%0.164SC*.THydrogen-bonded Turntrans78.829.6178.800000114.6A554 N555 R556 R560A554-G558 PolarHBondContact O-N 3.29Å; N555-G558 PolarHBondContact O-N 2.73Å; R556-G558 VanDerWaalsContact C-N 3.3Å; R556-G558 PolarHBondContact O-N 3.46Å; G558-R560 VanDerWaalsContact C-N 3.34Å; G558-R560 PolarHBondContact O-N 3.29Å
559G94.8Very high96.9Very high3 Ų327.2 Ų27.23%0.03114%0.142CC..SBendtrans80.18.8175.100000114.9A554 V587 Q588A554-G559 WeakPolarHBondContact O-CA 3.48Å; A554-G559 PolarHBondContact O-N 3.14Å; G559-V587 CarbonylContact O-C 3.43Å; G559-V587 WeakPolarHBondContact O-CA 3.36Å; G559-V587 WeakPolarHBondContact O-CG1 3.35Å; G559-Q588 PolarHBondContact O-N 3.35Å
560R96.9Very high97Very high70 Ų7030.8 Ų30.826%0.26416%0.158SC..EExtended strand (participates in β ladder)trans-91.2103.7179.9-69.7171.5-70.7178.14.7110.5E507 V508 L509 V557 G558 M624E507-R560 PolarHBondContact O-NE 2.76Å; E507-R560 PolarHBondContact O-NH2 2.7Å; V508-R560 HydrophobicContact CG1-CB 4.47Å; V508-R560 WeakPolarHBondContact CG1-O 3.35Å; V508-R560 HydrophobicContact CG2-CB 4.09Å; L509-R560 PolarHBondContact N-O 2.74Å; V557-R560 WeakPolarHBondContact CG2-O 3.49Å; V557-R560 PolarHBondContact O-NE 2.99Å; V557-R560 PolarHBondContact O-NH2 3.02Å; V557-R560 VanDerWaalsContact O-NH2 3.09Å; G558-R560 VanDerWaalsContact C-N 3.34Å; G558-R560 PolarHBondContact O-N 3.29Å; R560-M624 HydrophobicContact CB-CE 3.8Å; R560-M624 HydrophobicContact CG-CE 4.2Å
561V98.2Very high97Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-121.5129.3-177.3-1750000111.5L509 V511 A554 T563 V577 L581 V587 Q588 V589 K590L509-V561 HydrophobicContact CB-CG2 4.38Å; L509-V561 HydrophobicContact CD2-CG1 4.46Å; L509-V561 HydrophobicContact CD2-CG2 4.25Å; L509-V561 CarbonylContact O-C 3.41Å; L509-V561 WeakPolarHBondContact O-CA 3.46Å; V511-V561 HydrophobicContact CG2-CG1 4.17Å; A554-V561 HydrophobicContact CB-CG2 3.71Å; V561-T563 HydrophobicContact CG1-CG2 4.42Å; V561-V577 HydrophobicContact CG1-CG1 4.32Å; V561-L581 HydrophobicContact CB-CD1 4.4Å; V561-L581 HydrophobicContact CG1-CD1 4.35Å; V561-L581 HydrophobicContact CG2-CD1 3.87Å; V561-V587 HydrophobicContact CG2-CG1 4.04Å; V561-Q588 PolarHBondContact N-O 2.96Å; V561-V589 HydrophobicContact CB-CG2 4.4Å; V561-V589 CarbonylContact O-C 3.42Å; V561-V589 WeakPolarHBondContact O-CA 3.06Å; V561-K590 PolarHBondContact O-N 2.62Å
562V98.7Very high97.2Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-109124.4167.7177.80000108.5V508 L509 I510 V511 K590 L592 A620 V621 M624V508-V562 HydrophobicContact CG1-CB 4.47Å; V508-V562 HydrophobicContact CG1-CG2 3.82Å; L509-V562 PolarHBondContact O-N 3.17Å; I510-V562 CarbonylContact C-O 3.03Å; I510-V562 VanDerWaalsContact CA-O 3.31Å; I510-V562 WeakPolarHBondContact CA-O 3.49Å; I510-V562 HydrophobicContact CG1-CB 4.46Å; V511-V562 PolarHBondContact N-O 3.03Å; V562-K590 CarbonylContact C-O 3.15Å; V562-K590 WeakPolarHBondContact CA-O 3.41Å; V562-K590 HydrophobicContact CG2-CB 4.3Å; V562-L592 HydrophobicContact CG1-CD1 4.02Å; V562-L592 HydrophobicContact CG1-CG 4.22Å; V562-A620 HydrophobicContact CG1-CB 4.4Å; V562-A620 HydrophobicContact CG2-CB 4.48Å; V562-V621 HydrophobicContact CG2-CG2 4.17Å; V562-M624 HydrophobicContact CG2-SD 3.42Å; V562-M624 WeakPolarHBondContact CG2-SD 3.36Å
563T98.9Very high97.3Very high0 Ų024.5 Ų24.50%013%0.131CC..EExtended strand (participates in β ladder)trans-102.6140.2168.652.30000108.9V511 V561 G574 V577 V589 K590 R591 L592V511-T563 HydrophobicContact CB-CG2 4.15Å; V511-T563 WeakPolarHBondContact O-CA 3.17Å; V561-T563 HydrophobicContact CG1-CG2 4.42Å; T563-G574 WeakPolarHBondContact OG1-CA 3.41Å; T563-V577 HydrophobicContact CG2-CB 3.8Å; T563-V577 HydrophobicContact CG2-CG1 3.8Å; T563-V577 HydrophobicContact CG2-CG2 3.95Å; T563-V589 HydrophobicContact CG2-CG1 4.06Å; T563-K590 PolarHBondContact N-O 3.14Å; T563-K590 PolarHBondContact OG1-O 3.39Å; T563-R591 WeakPolarHBondContact OG1-CA 3.26Å; T563-L592 WeakPolarHBondContact O-CB 3.3Å; T563-L592 PolarHBondContact O-N 3.28Å
564V98.9Very high97.4Very high0 Ų024.2 Ų24.20%013%0.13CC..EExtended strand (participates in β ladder)trans-135.5123.9176.559.40000111.6I510 V511 A512 T516 L592 I612 I617I510-V564 HydrophobicContact CG2-CG1 4.25Å; V511-V564 PolarHBondContact O-N 3.48Å; A512-V564 HydrophobicContact CB-CG1 3.65Å; T516-V564 HydrophobicContact CG2-CG2 4.04Å; T516-V564 PolarHBondContact OG1-O 2.9Å; V564-L592 WeakPolarHBondContact CA-O 3.33Å; V564-L592 HydrophobicContact CB-CB 4.16Å; V564-L592 HydrophobicContact CG2-CB 4.05Å; V564-I612 HydrophobicContact CG2-CB 3.96Å; V564-I612 HydrophobicContact CG2-CG2 4.29Å; V564-I617 HydrophobicContact CB-CD1 4.31Å; V564-I617 HydrophobicContact CB-CG1 4.29Å; V564-I617 HydrophobicContact CG1-CD1 3.89Å; V564-I617 HydrophobicContact CG1-CG1 4.32Å; V564-I617 HydrophobicContact CG2-CD1 4.04Å; V564-I617 HydrophobicContact CG2-CG1 4.07Å
565E98.9Very high97.5Very high0 Ų027.5 Ų27.50%015%0.145CC..  trans-141.4142.8-175.166.4-175.6122.400114.1H567 G572 I573 G574 L592 A593E565-H567 VanDerWaalsContact C-N 3.28Å; E565-H567 HydrophobicContact CB-CB 4.45Å; E565-H567 HydrophobicContact CG-CB 4.14Å; E565-H567 PolarHBondContact O-N 3.36Å; E565-H567 WeakPolarHBondContact OE2-CB 3.31Å; E565-H567 IonicContact OE2-CG 3.77Å; E565-H567 IonicContact OE2-ND1 2.7Å; E565-G572 WeakPolarHBondContact OE2-CA 3.36Å; E565-I573 HydrophobicContact CB-CB 4.13Å; E565-I573 HydrophobicContact CB-CD1 3.97Å; E565-I573 HydrophobicContact CB-CG1 4.3Å; E565-I573 VanDerWaalsContact CD-N 3.29Å; E565-I573 PolarHBondContact OE1-N 3.46Å; E565-I573 VanDerWaalsContact OE1-N 3.17Å; E565-I573 PolarHBondContact OE2-N 3.39Å; E565-G574 PolarHBondContact OE1-N 2.7Å; E565-L592 PolarHBondContact N-O 2.91Å; E565-A593 HydrophobicContact CG-CB 3.85Å
566D98.8Very high97.7Very high0 Ų023.5 Ų23.50%012%0.124CC..SBendtrans-88.967.6170.5-167.9-0.6000109.8G423 I424 S425 R476 V515 T516 I612G423-D566 WeakPolarHBondContact CA-OD1 3.46Å; G423-D566 WeakPolarHBondContact CA-OD2 3.38Å; I424-D566 VanDerWaalsContact CG1-OD1 3.23Å; I424-D566 WeakPolarHBondContact CG1-OD1 3.28Å; I424-D566 VanDerWaalsContact N-CG 3.34Å; I424-D566 PolarHBondContact N-OD1 3.35Å; I424-D566 PolarHBondContact N-OD2 2.93Å; S425-D566 WeakPolarHBondContact CB-OD2 3.02Å; S425-D566 PolarHBondContact N-OD2 3.09Å; S425-D566 PolarHBondContact OG-OD2 2.79Å; R476-D566 PolarHBondContact NH1-O 2.95Å; R476-D566 PolarHBondContact NH2-O 3.22Å; V515-D566 HydrophobicContact CG2-CB 3.89Å; T516-D566 HydrophobicContact CG2-CB 4.05Å; D566-I612 HydrophobicContact CB-CD1 3.89Å
567H98.9Very high97.9Very high0 Ų020 Ų200%011%0.111CC..SBendtrans-162163-174.6-174.1-85.6000109.2L436 E437 D438 I439 A440 E565 A593 V594L436-H567 PolarHBondContact O-CD2 3.49Å; L436-H567 PolarHBondContact O-CE1 2.68Å; L436-H567 PolarHBondContact O-ND1 3.31Å; L436-H567 PolarHBondContact O-NE2 3.43Å; L436-H567 VanDerWaalsContact O-NE2 3.11Å; E437-H567 VanDerWaalsContact C-NE2 3.28Å; E437-H567 VanDerWaalsContact CA-NE2 3.27Å; E437-H567 WeakPolarHBondContact CA-NE2 3.34Å; D438-H567 PolarHBondContact N-NE2 2.86Å; D438-H567 IonicContact OD1-CD2 3.01Å; I439-H567 WeakPolarHBondContact CB-NE2 3.44Å; I439-H567 HydrophobicContact CD1-CB 4.12Å; I439-H567 PolarHBondContact N-NE2 3.03Å; I439-H567 VanDerWaalsContact N-NE2 3.19Å; A440-H567 PolarHBondContact N-NE2 3Å; E565-H567 VanDerWaalsContact C-N 3.28Å; E565-H567 HydrophobicContact CB-CB 4.45Å; E565-H567 HydrophobicContact CG-CB 4.14Å; E565-H567 PolarHBondContact O-N 3.36Å; E565-H567 WeakPolarHBondContact OE2-CB 3.31Å; E565-H567 IonicContact OE2-CG 3.77Å; E565-H567 IonicContact OE2-ND1 2.7Å; H567-A593 WeakPolarHBondContact O-CB 3.44Å; H567-V594 PolarHBondContact O-N 3.44Å
568Y98.8Very high97.9Very high56 Ų5621.4 Ų21.422%0.2212%0.123CC..  trans-64155.3169.9-71.2-51.2000111.6L436 E437 E570 V594L436-Y568 HydrophobicContact CB-CD1 4.48Å; L436-Y568 HydrophobicContact CB-CD2 3.5Å; L436-Y568 VanDerWaalsContact CB-CD2 3.5Å; L436-Y568 HydrophobicContact CB-CE1 4.4Å; L436-Y568 HydrophobicContact CB-CE2 3.4Å; L436-Y568 HydrophobicContact CB-CG 4.04Å; L436-Y568 HydrophobicContact CD1-CE1 4.19Å; L436-Y568 HydrophobicContact CD1-CE2 4.19Å; L436-Y568 HydrophobicContact CG-CE2 4.43Å; L436-Y568 WeakPolarHBondContact O-CB 3.33Å; L436-Y568 WeakPolarHBondContact O-CD2 3.19Å; L436-Y568 PolarHBondContact O-N 3.26Å; E437-Y568 HydrophobicContact CB-CD2 4.49Å; Y568-E570 VanDerWaalsContact C-N 3.3Å; Y568-E570 PolarHBondContact O-N 2.96Å; Y568-V594 HydrophobicContact CD1-CG1 4.45Å; Y568-V594 VanDerWaalsContact CD1-O 3.29Å; Y568-V594 WeakPolarHBondContact CD1-O 3.47Å; Y568-V594 HydrophobicContact CE1-CG1 4.26Å
569P98.3Very high98.1Very high25 Ų2521.4 Ų21.416%0.16212%0.118CC..SBendtrans-65.3-29.7-176.920.3-29.1000113.9E575 R591 A593 V594P569-E575 WeakPolarHBondContact O-CG 3.36Å; P569-R591 PolarHBondContact O-NH1 3.44Å; P569-A593 HydrophobicContact CB-CB 4.02Å; P569-V594 WeakPolarHBondContact CD-O 3.4Å
570E98.6Very high98.1Very high119 Ų11922.1 Ų22.156%0.55612%0.121SC*.THydrogen-bonded Turntrans-78.7129.6-177.7-60.774.4-160.800112Y568 G572Y568-E570 VanDerWaalsContact C-N 3.3Å; Y568-E570 PolarHBondContact O-N 2.96Å; E570-G572 PolarHBondContact O-N 3.38Å; E570-G572 VanDerWaalsContact O-N 3.12Å
571G98.4Very high98.1Very high12 Ų1219 Ų1912%0.12411%0.109CC..THydrogen-bonded Turntrans676.8176.500000115.6A440 R443 E575A440-G571 WeakPolarHBondContact CA-O 3.48Å; R443-G571 WeakPolarHBondContact CD-O 3.22Å; R443-G571 VanDerWaalsContact NH1-C 3.3Å; R443-G571 PolarHBondContact NH1-O 3.01Å; G571-E575 WeakPolarHBondContact CA-OE2 3.38Å; G571-E575 PolarHBondContact N-OE2 3.48Å
572G98.6Very high97.8Very high0 Ų023 Ų230%014%0.138CC..SBendtrans-81.9-161.3179.100000115.4E565 E570 A576E565-G572 WeakPolarHBondContact OE2-CA 3.36Å; E570-G572 PolarHBondContact O-N 3.38Å; E570-G572 VanDerWaalsContact O-N 3.12Å; G572-A576 WeakPolarHBondContact O-CB 3.41Å; G572-A576 PolarHBondContact O-N 2.95Å; G572-A576 VanDerWaalsContact O-N 3.1Å
573I98.7Very high97.1Very high1 Ų129.4 Ų29.41%0.00517%0.172CC..Hα-helixtrans-59.8-46.9174.2-66.4176.9000110.7I439 Y452 V511 A513 L539 I542 E565 E575 A576 V577I439-I573 HydrophobicContact CD1-CG1 4.34Å; Y452-I573 HydrophobicContact CD1-CD1 4.37Å; V511-I573 HydrophobicContact CG1-CG2 4.46Å; A513-I573 HydrophobicContact CB-CD1 3.84Å; L539-I573 HydrophobicContact CD2-CB 4.46Å; L539-I573 HydrophobicContact CD2-CG1 4.21Å; L539-I573 HydrophobicContact CD2-CG2 3.72Å; I542-I573 HydrophobicContact CD1-CD1 4.16Å; I542-I573 HydrophobicContact CD1-CG1 3.88Å; I542-I573 HydrophobicContact CG1-CG1 4.29Å; E565-I573 HydrophobicContact CB-CB 4.13Å; E565-I573 HydrophobicContact CB-CD1 3.97Å; E565-I573 HydrophobicContact CB-CG1 4.3Å; E565-I573 VanDerWaalsContact CD-N 3.29Å; E565-I573 PolarHBondContact OE1-N 3.46Å; E565-I573 VanDerWaalsContact OE1-N 3.17Å; E565-I573 PolarHBondContact OE2-N 3.39Å; I573-E575 VanDerWaalsContact C-N 3.32Å; I573-E575 PolarHBondContact O-N 3.01Å; I573-A576 PolarHBondContact O-N 3.21Å; I573-A576 VanDerWaalsContact O-N 3.14Å; I573-V577 HydrophobicContact CG2-CG2 4.15Å; I573-V577 WeakPolarHBondContact O-CG2 3.4Å; I573-V577 PolarHBondContact O-N 3.44Å
574G98.5Very high96.2Very high0 Ų033.7 Ų33.70%019%0.191CC..Hα-helixtrans-60.6-40.8-17600000112.6T563 E565 A578 R591T563-G574 WeakPolarHBondContact OG1-CA 3.41Å; E565-G574 PolarHBondContact OE1-N 2.7Å; G574-A578 WeakPolarHBondContact O-CB 3.47Å; G574-A578 PolarHBondContact O-N 2.98Å; G574-R591 VanDerWaalsContact C-CD 3.44Å
575E98Very high94.9Very high69 Ų6937 Ų3732%0.32222%0.224SC..Hα-helixtrans-74.2-35.4174.2-69.4-168.7171.900112.9P569 G571 I573 A578 A579 R591P569-E575 WeakPolarHBondContact O-CG 3.36Å; G571-E575 WeakPolarHBondContact CA-OE2 3.38Å; G571-E575 PolarHBondContact N-OE2 3.48Å; I573-E575 VanDerWaalsContact C-N 3.32Å; I573-E575 PolarHBondContact O-N 3.01Å; E575-A578 PolarHBondContact O-N 3Å; E575-A579 VanDerWaalsContact O-CB 3.31Å; E575-A579 WeakPolarHBondContact O-CB 3.5Å; E575-A579 PolarHBondContact O-N 2.93Å; E575-R591 IonicContact OE1-NH1 2.62Å; E575-R591 PolarHBondContact OE1-NH1 2.83Å
576A98.2Very high94Very high5 Ų543.7 Ų43.74%0.04127%0.266CS..Hα-helixtrans-62-44.8175.300000111.7I542 I545 G572 I573 V580I542-A576 HydrophobicContact CG2-CB 4.48Å; I545-A576 HydrophobicContact CD1-CB 3.96Å; G572-A576 WeakPolarHBondContact O-CB 3.41Å; G572-A576 PolarHBondContact O-N 2.95Å; G572-A576 VanDerWaalsContact O-N 3.1Å; I573-A576 PolarHBondContact O-N 3.21Å; I573-A576 VanDerWaalsContact O-N 3.14Å; A576-V580 WeakPolarHBondContact O-CG2 3.24Å; A576-V580 PolarHBondContact O-N 2.93Å
577V98.2Very high93.6Very high0 Ų045.5 Ų45.50%028%0.277CS..Hα-helixtrans-68.1-45.1176.5173.20000111V511 I545 L550 V561 T563 I573 A579 V580 L581V511-V577 HydrophobicContact CG1-CG2 3.95Å; I545-V577 HydrophobicContact CD1-CG2 3.98Å; L550-V577 HydrophobicContact CD1-CG2 4.23Å; L550-V577 HydrophobicContact CD2-CG1 4.49Å; L550-V577 HydrophobicContact CD2-CG2 4.44Å; V561-V577 HydrophobicContact CG1-CG1 4.32Å; T563-V577 HydrophobicContact CG2-CB 3.8Å; T563-V577 HydrophobicContact CG2-CG1 3.8Å; T563-V577 HydrophobicContact CG2-CG2 3.95Å; I573-V577 HydrophobicContact CG2-CG2 4.15Å; I573-V577 WeakPolarHBondContact O-CG2 3.4Å; I573-V577 PolarHBondContact O-N 3.44Å; V577-A579 VanDerWaalsContact C-N 3.29Å; V577-A579 PolarHBondContact O-N 3.23Å; V577-V580 PolarHBondContact O-N 3.47Å; V577-V580 VanDerWaalsContact O-N 3.14Å; V577-L581 HydrophobicContact CG1-CD1 3.7Å; V577-L581 HydrophobicContact CG1-CG 4.34Å; V577-L581 WeakPolarHBondContact O-CG 3.39Å; V577-L581 PolarHBondContact O-N 3.35Å
578A97Very high93.3Very high33 Ų3350.9 Ų50.927%0.27330%0.302SS..Hα-helixtrans-60.2-38.5178.500000112.4G574 E575 V580 L581 S582 V589G574-A578 WeakPolarHBondContact O-CB 3.47Å; G574-A578 PolarHBondContact O-N 2.98Å; E575-A578 PolarHBondContact O-N 3Å; A578-V580 VanDerWaalsContact C-N 3.35Å; A578-L581 PolarHBondContact O-N 3.27Å; A578-S582 WeakPolarHBondContact O-CB 3.46Å; A578-S582 PolarHBondContact O-N 3.46Å; A578-S582 PolarHBondContact O-OG 2.85Å; A578-V589 HydrophobicContact CB-CB 4.48Å; A578-V589 HydrophobicContact CB-CG1 4.42Å; A578-V589 HydrophobicContact CB-CG2 4.48Å
579A95.7Very high93.2Very high57 Ų5750.1 Ų50.147%0.47130%0.303SS..Hα-helixtrans-67-32.6176.100000113.2E575 V577 S582E575-A579 VanDerWaalsContact O-CB 3.31Å; E575-A579 WeakPolarHBondContact O-CB 3.5Å; E575-A579 PolarHBondContact O-N 2.93Å; V577-A579 VanDerWaalsContact C-N 3.29Å; V577-A579 PolarHBondContact O-N 3.23Å; A579-S582 PolarHBondContact O-OG 2.82Å
580V95.7Very high93.2Very high17 Ų1753.2 Ų53.210%0.10331%0.314CS..Hα-helixtrans-67.9-47.1172.5169.90000110.4I545 L550 I551 A576 V577 A578 F584I545-V580 HydrophobicContact CD1-CG2 4.23Å; I545-V580 HydrophobicContact CG2-CG2 3.39Å; L550-V580 HydrophobicContact CB-CG1 4.32Å; L550-V580 HydrophobicContact CD1-CG1 4.36Å; L550-V580 HydrophobicContact CD1-CG2 4.45Å; I551-V580 HydrophobicContact CD1-CG1 4.28Å; I551-V580 HydrophobicContact CG1-CG1 4.08Å; A576-V580 WeakPolarHBondContact O-CG2 3.24Å; A576-V580 PolarHBondContact O-N 2.93Å; V577-V580 PolarHBondContact O-N 3.47Å; V577-V580 VanDerWaalsContact O-N 3.14Å; A578-V580 VanDerWaalsContact C-N 3.35Å; V580-F584 VanDerWaalsContact O-CD2 3.26Å; V580-F584 WeakPolarHBondContact O-CD2 3.17Å
581L95.7Very high93.2Very high4 Ų452.1 Ų52.12%0.02131%0.305CS..Hα-helixtrans-81.7-15.5-171.3-61.6176.3000113.4L550 I551 A554 V561 V577 A578 D583 F584 V587 V589L550-L581 HydrophobicContact CB-CD2 4.4Å; I551-L581 HydrophobicContact CG1-CD2 4.14Å; A554-L581 HydrophobicContact CB-CD1 4.1Å; A554-L581 HydrophobicContact CB-CD2 3.83Å; V561-L581 HydrophobicContact CB-CD1 4.4Å; V561-L581 HydrophobicContact CG1-CD1 4.35Å; V561-L581 HydrophobicContact CG2-CD1 3.87Å; V577-L581 HydrophobicContact CG1-CD1 3.7Å; V577-L581 HydrophobicContact CG1-CG 4.34Å; V577-L581 WeakPolarHBondContact O-CG 3.39Å; V577-L581 PolarHBondContact O-N 3.35Å; A578-L581 PolarHBondContact O-N 3.27Å; L581-D583 PolarHBondContact O-N 3.06Å; L581-F584 PolarHBondContact O-N 3.21Å; L581-V587 HydrophobicContact CB-CB 4.32Å; L581-V587 HydrophobicContact CB-CG1 4Å; L581-V587 HydrophobicContact CB-CG2 4.34Å; L581-V587 HydrophobicContact CD1-CG1 3.82Å; L581-V587 HydrophobicContact CG-CG1 4.46Å; L581-V589 HydrophobicContact CD1-CG2 4.02Å
582S93.1Very high93.2Very high86 Ų8652.3 Ų52.360%0.60130%0.303SS*.THydrogen-bonded Turntrans-62.9-23.4178.157.60000113.7A578 A579A578-S582 WeakPolarHBondContact O-CB 3.46Å; A578-S582 PolarHBondContact O-N 3.46Å; A578-S582 PolarHBondContact O-OG 2.85Å; A579-S582 PolarHBondContact O-OG 2.82Å
583D83.5Confident93.2Very high133 Ų13352.9 Ų52.971%0.71131%0.307SS*.THydrogen-bonded Turntrans-88.1-4.8178-67.4-16.8000112.7L581L581-D583 PolarHBondContact O-N 3.06Å
584F79.8Confident93.2Very high91 Ų9152.9 Ų52.940%0.39931%0.307SS..SBendtrans-132.4104-170.2-61.2-86.8000113.1I551 V580 L581 V587I551-F584 HydrophobicContact CD1-CD1 4.05Å; I551-F584 HydrophobicContact CD1-CD2 3.43Å; I551-F584 VanDerWaalsContact CD1-CD2 3.43Å; I551-F584 HydrophobicContact CD1-CE1 3.9Å; I551-F584 HydrophobicContact CD1-CE2 3.27Å; I551-F584 HydrophobicContact CD1-CG 3.84Å; I551-F584 HydrophobicContact CD1-CZ 3.52Å; I551-F584 HydrophobicContact CG1-CB 4.37Å; I551-F584 HydrophobicContact CG1-CD1 4.43Å; I551-F584 HydrophobicContact CG1-CD2 3.71Å; I551-F584 HydrophobicContact CG1-CE2 4.09Å; I551-F584 HydrophobicContact CG1-CG 3.91Å; I551-F584 HydrophobicContact CG2-CB 4.2Å; I551-F584 HydrophobicContact CG2-CD1 4.01Å; I551-F584 HydrophobicContact CG2-CG 4.03Å; V580-F584 VanDerWaalsContact O-CD2 3.26Å; V580-F584 WeakPolarHBondContact O-CD2 3.17Å; L581-F584 PolarHBondContact O-N 3.21Å; F584-V587 VanDerWaalsContact O-CG2 3.26Å; F584-V587 WeakPolarHBondContact O-CG2 3.4Å
585G71.6Confident93.1Very high68 Ų6858.9 Ų58.970%0.70134%0.339SS*.SBendtrans67.3-171.7164.800000115.5V587G585-V587 PolarHBondContact O-N 2.81Å
586T80.3Confident93.1Very high142 Ų14257.9 Ų57.987%0.87134%0.343SS*.SBendtrans-84.895.1174.6-530000108.7
587V89.4Confident93.1Very high37 Ų3763.8 Ų63.822%0.22437%0.373CS..  trans-114.7133.7178.3179.80000110.3G559 V561 L581 F584 G585 V589G559-V587 CarbonylContact O-C 3.43Å; G559-V587 WeakPolarHBondContact O-CA 3.36Å; G559-V587 WeakPolarHBondContact O-CG1 3.35Å; V561-V587 HydrophobicContact CG2-CG1 4.04Å; L581-V587 HydrophobicContact CB-CB 4.32Å; L581-V587 HydrophobicContact CB-CG1 4Å; L581-V587 HydrophobicContact CB-CG2 4.34Å; L581-V587 HydrophobicContact CD1-CG1 3.82Å; L581-V587 HydrophobicContact CG-CG1 4.46Å; F584-V587 VanDerWaalsContact O-CG2 3.26Å; F584-V587 WeakPolarHBondContact O-CG2 3.4Å; G585-V587 PolarHBondContact O-N 2.81Å; V587-V589 HydrophobicContact CG1-CG2 3.67Å
588Q93.9Very high93.1Very high114 Ų11464.1 Ų64.153%0.53338%0.376SS..EExtended strand (participates in β ladder)trans-105112.8166.4-173.1-176.428.500108.9G559 V561 M624G559-Q588 PolarHBondContact O-N 3.35Å; V561-Q588 PolarHBondContact N-O 2.96Å; Q588-M624 HydrophobicContact CB-CE 4.11Å; Q588-M624 HydrophobicContact CG-CE 4.05Å; Q588-M624 WeakPolarHBondContact O-CE 3.37Å
589V96.8Very high93.1Very high40 Ų4070.1 Ų70.124%0.24239%0.391CS..EExtended strand (participates in β ladder)trans-101.6106.5174.6-172.30000109.8V561 T563 A578 L581 V587 R591V561-V589 HydrophobicContact CB-CG2 4.4Å; V561-V589 CarbonylContact O-C 3.42Å; V561-V589 WeakPolarHBondContact O-CA 3.06Å; T563-V589 HydrophobicContact CG2-CG1 4.06Å; A578-V589 HydrophobicContact CB-CB 4.48Å; A578-V589 HydrophobicContact CB-CG1 4.42Å; A578-V589 HydrophobicContact CB-CG2 4.48Å; L581-V589 HydrophobicContact CD1-CG2 4.02Å; V587-V589 HydrophobicContact CG1-CG2 3.67Å; V589-R591 HydrophobicContact CG1-CG 4.19Å
590K97.7Very high93.3Very high90 Ų9070.9 Ų70.939%0.39139%0.393SS..EExtended strand (participates in β ladder)trans-86.3117.5169.3-178.860.8177.1178.40109.4V561 V562 T563 L592 A620 M624V561-K590 PolarHBondContact O-N 2.62Å; V562-K590 CarbonylContact C-O 3.15Å; V562-K590 WeakPolarHBondContact CA-O 3.41Å; V562-K590 HydrophobicContact CG2-CB 4.3Å; T563-K590 PolarHBondContact N-O 3.14Å; T563-K590 PolarHBondContact OG1-O 3.39Å; K590-L592 HydrophobicContact CG-CD2 4.5Å; K590-A620 HydrophobicContact CG-CB 4.29Å; K590-M624 HydrophobicContact CB-SD 3.6Å; K590-M624 HydrophobicContact CG-SD 4.48Å
591R98.2Very high93.4Very high96 Ų9670.8 Ų70.836%0.36240%0.395SS..EExtended strand (participates in β ladder)trans-96.9121.2178.8-56.2-174.4-67.4147.8-7.6111.3T563 P569 G574 E575 V589T563-R591 WeakPolarHBondContact OG1-CA 3.26Å; P569-R591 PolarHBondContact O-NH1 3.44Å; G574-R591 VanDerWaalsContact C-CD 3.44Å; E575-R591 IonicContact OE1-NH1 2.62Å; E575-R591 PolarHBondContact OE1-NH1 2.83Å; V589-R591 HydrophobicContact CG1-CG 4.19Å
592L98.8Very high93.5Very high16 Ų1674.1 Ų74.18%0.08442%0.417CS..EExtended strand (participates in β ladder)trans-106.1117.5168.6-56.5-176.9000108.4V562 T563 V564 E565 K590 I617 A620V562-L592 HydrophobicContact CG1-CD1 4.02Å; V562-L592 HydrophobicContact CG1-CG 4.22Å; T563-L592 WeakPolarHBondContact O-CB 3.3Å; T563-L592 PolarHBondContact O-N 3.28Å; V564-L592 WeakPolarHBondContact CA-O 3.33Å; V564-L592 HydrophobicContact CB-CB 4.16Å; V564-L592 HydrophobicContact CG2-CB 4.05Å; E565-L592 PolarHBondContact N-O 2.91Å; K590-L592 HydrophobicContact CG-CD2 4.5Å; L592-I617 HydrophobicContact CD1-CB 4.43Å; L592-I617 HydrophobicContact CD1-CG1 3.94Å; L592-A620 HydrophobicContact CD1-CB 3.82Å; L592-A620 HydrophobicContact CD2-CB 4.06Å; L592-A620 HydrophobicContact CG-CB 4.28Å
593A98.8Very high93.7Very high12 Ų1271.6 Ų71.610%0.09940%0.399CS..  trans-151.2166.5-175.100000109E565 H567 P569 N595E565-A593 HydrophobicContact CG-CB 3.85Å; H567-A593 WeakPolarHBondContact O-CB 3.44Å; P569-A593 HydrophobicContact CB-CB 4.02Å; A593-N595 PolarHBondContact O-N 3.22Å
594V98.7Very high94.3Very high0 Ų070.5 Ų70.50%039%0.393CS..  trans-70.2110.7175.9178.90000108.5I424 L436 H567 Y568 P569 P598 F610 I612I424-V594 HydrophobicContact CD1-CG2 3.96Å; I424-V594 HydrophobicContact CG1-CG2 4.13Å; I424-V594 HydrophobicContact CG2-CG1 4.12Å; I424-V594 HydrophobicContact CG2-CG2 4.06Å; L436-V594 HydrophobicContact CD1-CG1 4.49Å; L436-V594 HydrophobicContact CD2-CB 4.23Å; L436-V594 HydrophobicContact CD2-CG1 4.41Å; L436-V594 HydrophobicContact CD2-CG2 4.01Å; H567-V594 PolarHBondContact O-N 3.44Å; Y568-V594 HydrophobicContact CD1-CG1 4.45Å; Y568-V594 VanDerWaalsContact CD1-O 3.29Å; Y568-V594 WeakPolarHBondContact CD1-O 3.47Å; Y568-V594 HydrophobicContact CE1-CG1 4.26Å; P569-V594 WeakPolarHBondContact CD-O 3.4Å; V594-P598 HydrophobicContact CG1-CG 3.63Å; V594-F610 HydrophobicContact CG1-CB 4.26Å; V594-F610 HydrophobicContact CG1-CD1 4.01Å; V594-F610 HydrophobicContact CG1-CG 4.18Å; V594-F610 HydrophobicContact CG2-CB 4.36Å; V594-I612 HydrophobicContact CG2-CD1 4.1Å
595N96.4Very high95.2Very high126 Ų12668.5 Ų68.567%0.67439%0.393SS*.  trans-102.97-167.366.9-4.6000115.3A593A593-N595 PolarHBondContact O-N 3.22Å
596A97.2Very high96.5Very high49 Ų4965.4 Ų65.441%0.40536%0.361SS..SBendtrans-154.2161.5179.500000109.8P598 F610A596-P598 WeakPolarHBondContact O-CD 3.29Å; A596-F610 HydrophobicContact CB-CE1 4.29Å
597L97.9Very high97.3Very high128 Ų12859.2 Ų59.267%0.6732%0.322SS*.  trans-55.4121.8173.7179.863.9000110P431P431-L597 HydrophobicContact CB-CD1 3.78Å; P431-L597 HydrophobicContact CG-CD1 4.26Å
598P98.2Very high97.7Very high8 Ų861 Ų615%0.05233%0.33CS..  trans-72.3-177-178.3-2640.1000115I424 M434 L436 V594 A596 F610I424-P598 HydrophobicContact CG2-CB 3.58Å; I424-P598 HydrophobicContact CG2-CG 3.34Å; M434-P598 HydrophobicContact CE-CB 4.48Å; M434-P598 HydrophobicContact SD-CB 3.62Å; M434-P598 HydrophobicContact SD-CG 4.14Å; L436-P598 HydrophobicContact CD1-CG 3.63Å; V594-P598 HydrophobicContact CG1-CG 3.63Å; A596-P598 WeakPolarHBondContact O-CD 3.29Å; P598-F610 HydrophobicContact CB-CE1 4.38Å; P598-F610 HydrophobicContact CB-CE2 3.94Å; P598-F610 HydrophobicContact CB-CZ 3.91Å; P598-F610 HydrophobicContact CG-CE1 4.44Å; P598-F610 HydrophobicContact CG-CZ 4.44Å
599R98.4Very high98Very high159 Ų15960.7 Ų60.760%0.633%0.33SS*.  trans-142.4168.4175.661.1177.160.9-158.9-2.9110.3L606 M609R599-L606 HydrophobicContact CG-CD2 4.24Å; R599-L606 WeakPolarHBondContact O-CD2 3.35Å; R599-M609 HydrophobicContact CG-SD 4.19Å
600S98.6Very high98Very high72 Ų7259.4 Ų59.450%0.50332%0.321SS..SBendtrans-65.1140.1170.8-60.10000111.6E428E428-S600 WeakPolarHBondContact O-CB 3.39Å; E428-S600 PolarHBondContact O-OG 2.96Å
601G98.2Very high98.1Very high15 Ų1556.4 Ų56.416%0.15532%0.316CS..SBendtrans172173.8172.500000111.6G427 E428 L606G427-G601 CarbonylContact C-O 3.53Å; G427-G601 WeakPolarHBondContact CA-O 3.16Å; E428-G601 PolarHBondContact N-O 3.2Å; G601-L606 WeakPolarHBondContact O-CD1 3.49Å
602P98Very high98.1Very high75 Ų7551.8 Ų51.849%0.48730%0.298SS..  trans-61.4141.8175.4-23.334.2000111.5D604 A605 L606P602-D604 PolarHBondContact O-N 3.25Å; P602-A605 HydrophobicContact CB-CB 4.32Å; P602-A605 WeakPolarHBondContact O-CB 3.38Å; P602-A605 PolarHBondContact O-N 3.23Å; P602-L606 PolarHBondContact O-N 3.44Å
603P97.3Very high98.1Very high32 Ų3251.4 Ų51.421%0.20830%0.297CS..Hα-helixtrans-49-49-176-31.736.3000114.8S425 A605 L606 M607S425-P603 WeakPolarHBondContact O-CB 3.42Å; S425-P603 WeakPolarHBondContact O-CG 3.41Å; P603-A605 VanDerWaalsContact C-N 3.32Å; P603-A605 PolarHBondContact O-N 2.86Å; P603-L606 PolarHBondContact O-N 3.29Å; P603-M607 WeakPolarHBondContact O-CG 3.29Å; P603-M607 PolarHBondContact O-N 2.8Å
604D96.7Very high98.1Very high111 Ų11151.1 Ų51.159%0.59429%0.294SS*.Hα-helixtrans-64.1-36.9-179.3-66.6-16.6000112.5P602 M607 N608P602-D604 PolarHBondContact O-N 3.25Å; D604-M607 WeakPolarHBondContact OD1-CE 3.38Å; D604-N608 PolarHBondContact O-N 3.3Å; D604-N608 VanDerWaalsContact O-N 3.09Å
605A98Very high98.1Very high49 Ų4956.6 Ų56.641%0.40532%0.318SS..Hα-helixtrans-67.5-39.7177.400000111.1P602 P603 M609P602-A605 HydrophobicContact CB-CB 4.32Å; P602-A605 WeakPolarHBondContact O-CB 3.38Å; P602-A605 PolarHBondContact O-N 3.23Å; P603-A605 VanDerWaalsContact C-N 3.32Å; P603-A605 PolarHBondContact O-N 2.86Å; A605-M609 VanDerWaalsContact O-CB 3.22Å; A605-M609 WeakPolarHBondContact O-CB 3.42Å; A605-M609 PolarHBondContact O-N 2.67Å
606L98.5Very high98.2Very high3 Ų351.2 Ų51.22%0.01629%0.29CS..Hα-helixtrans-66.1-48.7175.3-62.3177.7000111I424 M434 R599 G601 P602 P603 N608 M609 F610I424-L606 HydrophobicContact CB-CB 4.26Å; I424-L606 HydrophobicContact CB-CD1 4.44Å; I424-L606 HydrophobicContact CD1-CB 3.95Å; I424-L606 WeakPolarHBondContact CD1-O 3.3Å; I424-L606 HydrophobicContact CG1-CB 4.35Å; I424-L606 VanDerWaalsContact O-CD1 3.3Å; I424-L606 WeakPolarHBondContact O-CD1 3.49Å; M434-L606 HydrophobicContact CE-CD1 3.82Å; R599-L606 HydrophobicContact CG-CD2 4.24Å; R599-L606 WeakPolarHBondContact O-CD2 3.35Å; G601-L606 WeakPolarHBondContact O-CD1 3.49Å; P602-L606 PolarHBondContact O-N 3.44Å; P603-L606 PolarHBondContact O-N 3.29Å; L606-N608 VanDerWaalsContact C-N 3.26Å; L606-N608 PolarHBondContact O-N 2.65Å; L606-M609 PolarHBondContact O-N 3.26Å; L606-F610 HydrophobicContact CB-CD2 4.41Å; L606-F610 HydrophobicContact CD2-CE2 4.06Å; L606-F610 VanDerWaalsContact O-CD2 3.28Å; L606-F610 WeakPolarHBondContact O-CD2 3.38Å; L606-F610 PolarHBondContact O-N 3.18Å
607M98.2Very high98.2Very high11 Ų1148.9 Ų48.95%0.05427%0.271CS..Hα-helixtrans-56.9-39.8178.7-71.1-171.2-6500112.3E519 P603 D604 G611 I612 S613E519-M607 HydrophobicContact CG-CE 4.39Å; E519-M607 HydrophobicContact CG-SD 4.03Å; P603-M607 WeakPolarHBondContact O-CG 3.29Å; P603-M607 PolarHBondContact O-N 2.8Å; D604-M607 WeakPolarHBondContact OD1-CE 3.38Å; M607-G611 PolarHBondContact O-N 2.72Å; M607-I612 HydrophobicContact CB-CG1 4.05Å; M607-I612 HydrophobicContact CG-CD1 4.25Å; M607-I612 HydrophobicContact CG-CG1 4.19Å; M607-I612 PolarHBondContact O-N 2.82Å; M607-S613 PolarHBondContact O-N 3.21Å
608N98.2Very high98.3Very high75 Ų7543 Ų4340%0.40124%0.241SC..Hα-helixtrans-70.7-42.5174.2178.283.7000112.2D604 L606 F610 G611D604-N608 PolarHBondContact O-N 3.3Å; D604-N608 VanDerWaalsContact O-N 3.09Å; L606-N608 VanDerWaalsContact C-N 3.26Å; L606-N608 PolarHBondContact O-N 2.65Å; N608-F610 VanDerWaalsContact C-N 3.34Å; N608-F610 PolarHBondContact O-N 2.77Å; N608-G611 PolarHBondContact O-N 2.77Å
609M98.3Very high98.3Very high108 Ų10846.1 Ų46.153%0.53225%0.254SS..Hα-helixtrans-61.1-40.3179.1-179.4178.6-65.200112.6R599 A605 L606R599-M609 HydrophobicContact CG-SD 4.19Å; A605-M609 VanDerWaalsContact O-CB 3.22Å; A605-M609 WeakPolarHBondContact O-CB 3.42Å; A605-M609 PolarHBondContact O-N 2.67Å; L606-M609 PolarHBondContact O-N 3.26Å
610F98.5Very high98.3Very high13 Ų1338.6 Ų38.66%0.05723%0.226CC..THydrogen-bonded Turntrans-97.113.6-176.5-67.5-76.6000113.8I424 V594 A596 P598 L606 N608I424-F610 HydrophobicContact CD1-CB 3.65Å; I424-F610 HydrophobicContact CD1-CD2 3.67Å; I424-F610 HydrophobicContact CD1-CG 3.98Å; V594-F610 HydrophobicContact CG1-CB 4.26Å; V594-F610 HydrophobicContact CG1-CD1 4.01Å; V594-F610 HydrophobicContact CG1-CG 4.18Å; V594-F610 HydrophobicContact CG2-CB 4.36Å; A596-F610 HydrophobicContact CB-CE1 4.29Å; P598-F610 HydrophobicContact CB-CE1 4.38Å; P598-F610 HydrophobicContact CB-CE2 3.94Å; P598-F610 HydrophobicContact CB-CZ 3.91Å; P598-F610 HydrophobicContact CG-CE1 4.44Å; P598-F610 HydrophobicContact CG-CZ 4.44Å; L606-F610 HydrophobicContact CB-CD2 4.41Å; L606-F610 HydrophobicContact CD2-CE2 4.06Å; L606-F610 VanDerWaalsContact O-CD2 3.28Å; L606-F610 WeakPolarHBondContact O-CD2 3.38Å; L606-F610 PolarHBondContact O-N 3.18Å; N608-F610 VanDerWaalsContact C-N 3.34Å; N608-F610 PolarHBondContact O-N 2.77Å
611G98.3Very high98.3Very high26 Ų2635.2 Ų35.227%0.26820%0.202SC..THydrogen-bonded Turntrans82.119.9164.900000116.3M607 N608 C616M607-G611 PolarHBondContact O-N 2.72Å; N608-G611 PolarHBondContact O-N 2.77Å; G611-C616 VanDerWaalsContact C-CB 3.45Å; G611-C616 VanDerWaalsContact CA-SG 3.56Å; G611-C616 VanDerWaalsContact O-CB 3.25Å; G611-C616 WeakPolarHBondContact O-CB 3.42Å
612I98.8Very high98.2Very high0 Ų038.4 Ų38.40%021%0.213CC..  trans-122.56.1-175.164.4170000114.3I424 T516 V564 D566 V594 M607I424-I612 HydrophobicContact CD1-CD1 3.9Å; I424-I612 HydrophobicContact CD1-CG1 4.31Å; I424-I612 HydrophobicContact CG1-CD1 4.08Å; T516-I612 HydrophobicContact CG2-CD1 4.34Å; V564-I612 HydrophobicContact CG2-CB 3.96Å; V564-I612 HydrophobicContact CG2-CG2 4.29Å; D566-I612 HydrophobicContact CB-CD1 3.89Å; V594-I612 HydrophobicContact CG2-CD1 4.1Å; M607-I612 HydrophobicContact CB-CG1 4.05Å; M607-I612 HydrophobicContact CG-CD1 4.25Å; M607-I612 HydrophobicContact CG-CG1 4.19Å; M607-I612 PolarHBondContact O-N 2.82Å
613S98.6Very high98.2Very high8 Ų842.6 Ų42.66%0.05622%0.219CC..SBendtrans-73.4166.317471.30000112.9M607 K615 C616 I617M607-S613 PolarHBondContact O-N 3.21Å; S613-K615 PolarHBondContact O-N 3.37Å; S613-C616 WeakPolarHBondContact O-CA 3.38Å; S613-C616 WeakPolarHBondContact O-CB 3.49Å; S613-C616 PolarHBondContact O-N 3.32Å; S613-C616 PolarHBondContact OG-SG 3.33Å; S613-I617 WeakPolarHBondContact O-CG1 3.3Å; S613-I617 PolarHBondContact O-N 3.49Å
614A98.6Very high98Very high5 Ų542 Ų424%0.04121%0.214CC..Hα-helixtrans-50-42.4173.200000112.6E519 K522 A523 C616 I617 V618E519-A614 WeakPolarHBondContact O-CB 3.19Å; E519-A614 WeakPolarHBondContact OE2-CB 3.5Å; E519-A614 PolarHBondContact OE2-N 2.98Å; K522-A614 HydrophobicContact CB-CB 3.74Å; K522-A614 HydrophobicContact CD-CB 4.5Å; A523-A614 HydrophobicContact CB-CB 4.25Å; A614-C616 VanDerWaalsContact C-N 3.33Å; A614-C616 PolarHBondContact O-N 3.4Å; A614-I617 PolarHBondContact O-N 3.03Å; A614-V618 WeakPolarHBondContact O-CG2 3.44Å; A614-V618 PolarHBondContact O-N 2.97Å
615K98.4Very high97.9Very high115 Ų11541.4 Ų41.450%0.521%0.21SC..Hα-helixtrans-57.3-45.7176179.9-173171.5-168.30111.8S613 I617 V618 E619S613-K615 PolarHBondContact O-N 3.37Å; K615-I617 VanDerWaalsContact C-N 3.33Å; K615-I617 PolarHBondContact O-N 3.21Å; K615-V618 PolarHBondContact O-N 2.9Å; K615-E619 WeakPolarHBondContact CE-OE1 3.46Å; K615-E619 IonicContact NZ-OE1 3.34Å; K615-E619 WeakPolarHBondContact O-CG 3.33Å; K615-E619 PolarHBondContact O-N 2.98Å
616C98.5Very high97.9Very high13 Ų1341.1 Ų41.19%0.08820%0.201CC..Hα-helixtrans-68.4-33.9-179.1-55.40000112.1G611 S613 A614 A620G611-C616 VanDerWaalsContact C-CB 3.45Å; G611-C616 VanDerWaalsContact CA-SG 3.56Å; G611-C616 VanDerWaalsContact O-CB 3.25Å; G611-C616 WeakPolarHBondContact O-CB 3.42Å; S613-C616 WeakPolarHBondContact O-CA 3.38Å; S613-C616 WeakPolarHBondContact O-CB 3.49Å; S613-C616 PolarHBondContact O-N 3.32Å; S613-C616 PolarHBondContact OG-SG 3.33Å; A614-C616 VanDerWaalsContact C-N 3.33Å; A614-C616 PolarHBondContact O-N 3.4Å; C616-A620 WeakPolarHBondContact O-CB 3.41Å; C616-A620 PolarHBondContact O-N 3.19Å
617I98.8Very high97.8Very high0 Ų043.1 Ų43.10%021%0.21CC..Hα-helixtrans-65.4-47.5173.5-61.4166.8000110.3I510 E519 A520 A523 V564 L592 S613 A614 K615 E619 A620 V621I510-I617 HydrophobicContact CD1-CG2 3.79Å; E519-I617 HydrophobicContact CB-CD1 3.87Å; A520-I617 HydrophobicContact CB-CD1 4.3Å; A523-I617 HydrophobicContact CB-CB 3.72Å; A523-I617 HydrophobicContact CB-CD1 4.39Å; A523-I617 HydrophobicContact CB-CG2 3.57Å; V564-I617 HydrophobicContact CB-CD1 4.31Å; V564-I617 HydrophobicContact CB-CG1 4.29Å; V564-I617 HydrophobicContact CG1-CD1 3.89Å; V564-I617 HydrophobicContact CG1-CG1 4.32Å; V564-I617 HydrophobicContact CG2-CD1 4.04Å; V564-I617 HydrophobicContact CG2-CG1 4.07Å; L592-I617 HydrophobicContact CD1-CB 4.43Å; L592-I617 HydrophobicContact CD1-CG1 3.94Å; S613-I617 WeakPolarHBondContact O-CG1 3.3Å; S613-I617 PolarHBondContact O-N 3.49Å; A614-I617 PolarHBondContact O-N 3.03Å; K615-I617 VanDerWaalsContact C-N 3.33Å; K615-I617 PolarHBondContact O-N 3.21Å; I617-E619 PolarHBondContact O-N 2.88Å; I617-A620 WeakPolarHBondContact O-CB 3.42Å; I617-A620 PolarHBondContact O-N 3.4Å; I617-A620 VanDerWaalsContact O-N 3.09Å; I617-V621 HydrophobicContact CG2-CG2 4.49Å; I617-V621 WeakPolarHBondContact O-CG2 3.44Å; I617-V621 PolarHBondContact O-N 3Å
618V98.7Very high97.8Very high6 Ų644.8 Ų44.84%0.03622%0.219CC..Hα-helixtrans-55.5-50.5175.2174.10000110.7A523 Q526 L527 A614 K615 A620 V621 E622A523-V618 HydrophobicContact CB-CG2 3.88Å; Q526-V618 HydrophobicContact CB-CG2 3.99Å; L527-V618 HydrophobicContact CD2-CG1 4Å; L527-V618 HydrophobicContact CG-CG1 4.4Å; L527-V618 HydrophobicContact CG-CG2 4.13Å; A614-V618 WeakPolarHBondContact O-CG2 3.44Å; A614-V618 PolarHBondContact O-N 2.97Å; K615-V618 PolarHBondContact O-N 2.9Å; V618-A620 PolarHBondContact O-N 3.44Å; V618-V621 PolarHBondContact O-N 2.93Å; V618-E622 HydrophobicContact CG1-CG 4.33Å; V618-E622 WeakPolarHBondContact O-CB 3.39Å; V618-E622 WeakPolarHBondContact O-CG 3.26Å; V618-E622 PolarHBondContact O-N 2.79Å
619E98.4Very high97.8Very high73 Ų7343.1 Ų43.134%0.34121%0.208SC..Hα-helixtrans-61.8-29.4177.8-70.7174-174.400113.1K615 I617 R623K615-E619 WeakPolarHBondContact CE-OE1 3.46Å; K615-E619 IonicContact NZ-OE1 3.34Å; K615-E619 WeakPolarHBondContact O-CG 3.33Å; K615-E619 PolarHBondContact O-N 2.98Å; I617-E619 PolarHBondContact O-N 2.88Å; E619-R623 WeakPolarHBondContact O-CB 3.35Å; E619-R623 VanDerWaalsContact O-CG 3.3Å; E619-R623 WeakPolarHBondContact O-CG 3.47Å; E619-R623 PolarHBondContact O-N 2.64Å; E619-R623 PolarHBondContact O-NE 2.77Å; E619-R623 PolarHBondContact O-NH2 3.09Å
620A98.4Very high97.7Very high1 Ų139 Ų391%0.00819%0.188CC..Hα-helixtrans-74.7-43.9176.200000111.7V562 K590 L592 C616 I617 V618 R623 M624V562-A620 HydrophobicContact CG1-CB 4.4Å; V562-A620 HydrophobicContact CG2-CB 4.48Å; K590-A620 HydrophobicContact CG-CB 4.29Å; L592-A620 HydrophobicContact CD1-CB 3.82Å; L592-A620 HydrophobicContact CD2-CB 4.06Å; L592-A620 HydrophobicContact CG-CB 4.28Å; C616-A620 WeakPolarHBondContact O-CB 3.41Å; C616-A620 PolarHBondContact O-N 3.19Å; I617-A620 WeakPolarHBondContact O-CB 3.42Å; I617-A620 PolarHBondContact O-N 3.4Å; I617-A620 VanDerWaalsContact O-N 3.09Å; V618-A620 PolarHBondContact O-N 3.44Å; A620-R623 PolarHBondContact O-N 3.49Å; A620-M624 WeakPolarHBondContact O-CG 3.4Å; A620-M624 PolarHBondContact O-N 3.16Å
621V98.4Very high97.7Very high0 Ų040.7 Ų40.70%020%0.197CC..Hα-helixtrans-61.1-49.5175.4171.70000110.4V508 I510 L527 V532 V534 V562 I617 V618 R623 M624 L625V508-V621 HydrophobicContact CB-CG1 4.3Å; V508-V621 HydrophobicContact CG1-CG2 4.23Å; V508-V621 HydrophobicContact CG2-CG1 3.95Å; I510-V621 HydrophobicContact CD1-CG2 4.22Å; I510-V621 HydrophobicContact CG1-CG2 4.41Å; L527-V621 HydrophobicContact CD1-CB 3.97Å; L527-V621 HydrophobicContact CD1-CG1 3.86Å; L527-V621 HydrophobicContact CD1-CG2 3.93Å; L527-V621 HydrophobicContact CD2-CB 4.2Å; L527-V621 HydrophobicContact CD2-CG1 3.87Å; V532-V621 HydrophobicContact CG1-CG1 4.02Å; V534-V621 HydrophobicContact CG1-CG1 4.03Å; V534-V621 HydrophobicContact CG1-CG2 4.46Å; V562-V621 HydrophobicContact CG2-CG2 4.17Å; I617-V621 HydrophobicContact CG2-CG2 4.49Å; I617-V621 WeakPolarHBondContact O-CG2 3.44Å; I617-V621 PolarHBondContact O-N 3Å; V618-V621 PolarHBondContact O-N 2.93Å; V621-R623 PolarHBondContact O-N 3.04Å; V621-R623 VanDerWaalsContact O-N 3.14Å; V621-M624 PolarHBondContact O-N 2.96Å; V621-L625 HydrophobicContact CG1-CD1 4.2Å; V621-L625 PolarHBondContact O-N 3.45Å
622E97.4Very high97.6Very high82 Ų8241.8 Ų41.838%0.38319%0.192SC..Hα-helixtrans-61.4-22.9178.6-71.6177.9154.500113.8L527 K530 V618L527-E622 HydrophobicContact CD2-CG 4.34Å; K530-E622 VanDerWaalsContact CD-OE1 3.29Å; K530-E622 WeakPolarHBondContact CD-OE1 3.41Å; K530-E622 IonicContact NZ-OE1 3.3Å; K530-E622 PolarHBondContact NZ-OE1 3.28Å; K530-E622 IonicContact NZ-OE2 2.82Å; V618-E622 HydrophobicContact CG1-CG 4.33Å; V618-E622 WeakPolarHBondContact O-CB 3.39Å; V618-E622 WeakPolarHBondContact O-CG 3.26Å; V618-E622 PolarHBondContact O-N 2.79Å
623R96.4Very high97.6Very high163 Ų16345 Ų4562%0.61521%0.207SC*.Hα-helixtrans-85.3-16.8174.6-79.7-178.8-70.1-146.5-5113.8E619 A620 V621E619-R623 WeakPolarHBondContact O-CB 3.35Å; E619-R623 VanDerWaalsContact O-CG 3.3Å; E619-R623 WeakPolarHBondContact O-CG 3.47Å; E619-R623 PolarHBondContact O-N 2.64Å; E619-R623 PolarHBondContact O-NE 2.77Å; E619-R623 PolarHBondContact O-NH2 3.09Å; A620-R623 PolarHBondContact O-N 3.49Å; V621-R623 PolarHBondContact O-N 3.04Å; V621-R623 VanDerWaalsContact O-N 3.14Å
624M94.1Very high97.5Very high21 Ų2148.1 Ų48.110%0.10322%0.219CC..Hα-helixtrans-92-21.7178.3-72.8-174.471.800112.9R560 V562 Q588 K590 A620 V621R560-M624 HydrophobicContact CB-CE 3.8Å; R560-M624 HydrophobicContact CG-CE 4.2Å; V562-M624 HydrophobicContact CG2-SD 3.42Å; V562-M624 WeakPolarHBondContact CG2-SD 3.36Å; Q588-M624 HydrophobicContact CB-CE 4.11Å; Q588-M624 HydrophobicContact CG-CE 4.05Å; Q588-M624 WeakPolarHBondContact O-CE 3.37Å; K590-M624 HydrophobicContact CB-SD 3.6Å; K590-M624 HydrophobicContact CG-SD 4.48Å; A620-M624 WeakPolarHBondContact O-CG 3.4Å; A620-M624 PolarHBondContact O-N 3.16Å; V621-M624 PolarHBondContact O-N 2.96Å
625L93.6Very high97.4Very high98 Ų9852 Ų5251%0.51324%0.235SC..  trans-85.40169.9-56.7-178.6000109.7E507 V508 V532 V621E507-L625 HydrophobicContact CB-CD2 3.69Å; V508-L625 HydrophobicContact CG2-CD2 3.8Å; V508-L625 HydrophobicContact CG2-CG 4.28Å; V532-L625 HydrophobicContact CB-CD1 4.36Å; V532-L625 HydrophobicContact CG1-CD1 3.54Å; V532-L625 HydrophobicContact CG2-CD1 3.84Å; V621-L625 HydrophobicContact CG1-CD1 4.2Å; V621-L625 PolarHBondContact O-N 3.45Å

Retrieved 625 of 625 residues in 344 ms (Link to these results)

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