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Dihydroxy-acid dehydratase

Functions in the biosynthesis of branched-chain amino acids. Catalyzes the dehydration of (2R,3R)-2,3-dihydroxy-3-methylpentanoate (2,3-dihydroxy-3-methylvalerate) into 2-oxo-3-methylpentanoate (2-oxo-3-methylvalerate) and of (2R)-2,3-dihydroxy-3-methylbutanoate (2,3-dihydroxyisovalerate) into 2-oxo-3-methylbutanoate (2-oxoisovalerate), the penultimate precursor to L-isoleucine and L-valine, respectively.

AlphaFold DB , UniProt , Accession P05791, Species ECOLI (Escherichia coli (strain K12)), Gene ilvD, Length 616 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
1M80.4Confident94.7Very high171 Ų17159.4 Ų59.484%0.84229%0.292SS*.  0119.40-71.7-171.2-88.200108.2N250M1-N250 VanDerWaalsContact CA-OD1 3.26Å; M1-N250 WeakPolarHBondContact CA-OD1 3.12Å; M1-N250 HydrophobicContact CG-CB 4.39Å; M1-N250 PolarHBondContact N-OD1 3.47Å
2P90.6Very high94.6Very high36 Ų3658.7 Ų58.723%0.23431%0.311CS..PPolyproline II helixtrans-58.2143.2173.4-18.131.4000109.9Y246 Y247 N250P2-Y246 HydrophobicContact CB-CE1 4.26Å; P2-Y246 WeakPolarHBondContact CD-O 3.25Å; P2-Y246 HydrophobicContact CG-CD2 4.42Å; P2-Y246 HydrophobicContact CG-CE1 4.39Å; P2-Y246 HydrophobicContact CG-CE2 3.91Å; P2-Y247 HydrophobicContact CB-CD1 3.82Å; P2-Y247 HydrophobicContact CB-CE1 4.34Å; P2-Y247 VanDerWaalsContact O-O 3.14Å; P2-N250 WeakPolarHBondContact CD-OD1 3.34Å
3K94.4Very high94.6Very high149 Ų14971.7 Ų71.765%0.64835%0.354SS*.PPolyproline II helixtrans-83.9140.1173.5-167.4-172.6-172.3-160.80109R5 A7 Y247K3-R5 PolarHBondContact O-N 3.2Å; K3-A7 HydrophobicContact CD-CB 3.99Å; K3-A7 HydrophobicContact CG-CB 4.09Å; K3-Y247 VanDerWaalsContact C-CD1 3.48Å; K3-Y247 WeakPolarHBondContact O-CD1 3.31Å; K3-Y247 VanDerWaalsContact O-CE1 3.23Å; K3-Y247 WeakPolarHBondContact O-CE1 3.46Å
4Y97.9Very high94.7Very high31 Ų3177.8 Ų77.812%0.12239%0.388CS..PPolyproline II helixtrans-49.3130.4167.6-71.6-45.5000110.9S6 A7 P35 D114 T243 Y247 E248Y4-S6 PolarHBondContact O-N 3.34Å; Y4-A7 WeakPolarHBondContact O-CB 3.31Å; Y4-A7 PolarHBondContact O-N 3.34Å; Y4-A7 VanDerWaalsContact O-N 3.12Å; Y4-P35 HydrophobicContact CD1-CB 4.29Å; Y4-P35 HydrophobicContact CE1-CB 3.85Å; Y4-D114 VanDerWaalsContact C-OD1 3.27Å; Y4-D114 WeakPolarHBondContact CA-OD1 3.14Å; Y4-D114 WeakPolarHBondContact CB-OD1 3.3Å; Y4-D114 HydrophobicContact CD1-CB 4.2Å; Y4-T243 HydrophobicContact CE1-CG2 3.9Å; Y4-Y247 AromaticContact CD1-CD1 3.76Å; Y4-Y247 HydrophobicContact CD1-CD1 3.76Å; Y4-Y247 AromaticContact CD1-CD2 3.44Å; Y4-Y247 HydrophobicContact CD1-CD2 3.44Å; Y4-Y247 VanDerWaalsContact CD1-CD2 3.44Å; Y4-Y247 HydrophobicContact CD1-CE1 4.29Å; Y4-Y247 AromaticContact CD1-CE2 3.99Å; Y4-Y247 HydrophobicContact CD1-CE2 3.99Å; Y4-Y247 AromaticContact CD1-CG 3.31Å; Y4-Y247 HydrophobicContact CD1-CG 3.31Å; Y4-Y247 HydrophobicContact CE1-CD1 4.32Å; Y4-Y247 AromaticContact CE1-CD2 3.41Å; Y4-Y247 HydrophobicContact CE1-CD2 3.41Å; Y4-Y247 VanDerWaalsContact CE1-CD2 3.41Å; Y4-Y247 HydrophobicContact CE1-CE2 4.29Å; Y4-Y247 AromaticContact CE1-CG 3.43Å; Y4-Y247 HydrophobicContact CE1-CG 3.43Å; Y4-Y247 VanDerWaalsContact CE1-CG 3.43Å; Y4-Y247 HydrophobicContact CG-CG 4.38Å; Y4-E248 WeakPolarHBondContact OH-CG 3.39Å; Y4-E248 PolarHBondContact OH-OE1 3.24Å
5R98.3Very high94.8Very high63 Ų6377 Ų7724%0.23838%0.384CS..THydrogen-bonded Turntrans-59.1-39.5175.7-64.8177.365.3173.60.9110.4K3 A7 T8 N109 C112 A113 D114 Y247K3-R5 PolarHBondContact O-N 3.2Å; R5-A7 PolarHBondContact O-N 3.25Å; R5-A7 VanDerWaalsContact O-N 3.1Å; R5-T8 VanDerWaalsContact O-CB 3.24Å; R5-T8 WeakPolarHBondContact O-CB 3.38Å; R5-T8 PolarHBondContact O-N 3.48Å; R5-T8 PolarHBondContact O-OG1 3.37Å; R5-N109 PolarHBondContact NH2-OD1 3.19Å; R5-C112 CarbonylContact C-O 3.58Å; R5-C112 HydrophobicContact CB-CB 4.35Å; R5-C112 WeakPolarHBondContact CB-O 3.49Å; R5-C112 WeakPolarHBondContact O-CB 3.34Å; R5-A113 WeakPolarHBondContact CD-O 3.27Å; R5-D114 WeakPolarHBondContact CA-OD1 3.39Å; R5-D114 PolarHBondContact N-OD1 2.8Å; R5-Y247 WeakPolarHBondContact CD-OH 3.41Å; R5-Y247 HydrophobicContact CG-CE1 4.37Å; R5-Y247 WeakPolarHBondContact CG-OH 3.47Å
6S98.1Very high94.9Very high2 Ų275.5 Ų75.51%0.01439%0.387CS..THydrogen-bonded Turntrans-62.2-19.317964.60000112.8Y4 T8 T9 T10 C112 D114Y4-S6 PolarHBondContact O-N 3.34Å; S6-T8 PolarHBondContact O-N 2.92Å; S6-T8 VanDerWaalsContact O-N 3.11Å; S6-T9 PolarHBondContact O-N 2.88Å; S6-T9 PolarHBondContact O-OG1 3.41Å; S6-T10 WeakPolarHBondContact O-CB 3.43Å; S6-T10 WeakPolarHBondContact O-CG2 3.4Å; S6-T10 PolarHBondContact O-N 2.96Å; S6-T10 PolarHBondContact O-OG1 3.4Å; S6-C112 WeakPolarHBondContact CA-O 3.45Å; S6-C112 PolarHBondContact N-O 2.84Å; S6-D114 WeakPolarHBondContact CB-OD2 3.3Å; S6-D114 PolarHBondContact N-OD1 3.02Å; S6-D114 PolarHBondContact OG-OD1 3.18Å; S6-D114 PolarHBondContact OG-OD2 3.04Å
7A97.2Very high95.1Very high5 Ų574 Ų744%0.04140%0.395CS..Hα-helixtrans-60.9-21.9173.700000112.8K3 Y4 R5 T9 T10 H11K3-A7 HydrophobicContact CD-CB 3.99Å; K3-A7 HydrophobicContact CG-CB 4.09Å; Y4-A7 WeakPolarHBondContact O-CB 3.31Å; Y4-A7 PolarHBondContact O-N 3.34Å; Y4-A7 VanDerWaalsContact O-N 3.12Å; R5-A7 PolarHBondContact O-N 3.25Å; R5-A7 VanDerWaalsContact O-N 3.1Å; A7-T9 VanDerWaalsContact C-N 3.32Å; A7-T9 PolarHBondContact O-N 3.41Å; A7-T10 WeakPolarHBondContact CA-OG1 3.42Å; A7-H11 WeakPolarHBondContact CA-ND1 3.46Å; A7-H11 WeakPolarHBondContact O-CB 3.37Å; A7-H11 PolarHBondContact O-N 3.48Å; A7-H11 VanDerWaalsContact O-N 3.07Å
8T97.1Very high95.2Very high86 Ų8671.3 Ų71.353%0.52839%0.385SS..Hα-helixtrans-60.7-39.2172.6-53.60000111.9R5 S6 M15R5-T8 VanDerWaalsContact O-CB 3.24Å; R5-T8 WeakPolarHBondContact O-CB 3.38Å; R5-T8 PolarHBondContact O-N 3.48Å; R5-T8 PolarHBondContact O-OG1 3.37Å; S6-T8 PolarHBondContact O-N 2.92Å; S6-T8 VanDerWaalsContact O-N 3.11Å; T8-M15 VanDerWaalsContact O-CE 3.24Å; T8-M15 WeakPolarHBondContact O-CE 3.39Å; T8-M15 VanDerWaalsContact O-CG 3.24Å; T8-M15 WeakPolarHBondContact O-CG 3.21Å
9T96.4Very high95.3Very high16 Ų1670.2 Ų70.210%0.09837%0.374CS..Hα-helixtrans-102.9-13.1-176.764.40000113.3S6 A7 M15 A18 W22 C112S6-T9 PolarHBondContact O-N 2.88Å; S6-T9 PolarHBondContact O-OG1 3.41Å; A7-T9 VanDerWaalsContact C-N 3.32Å; A7-T9 PolarHBondContact O-N 3.41Å; T9-M15 HydrophobicContact CG2-CE 4.4Å; T9-A18 VanDerWaalsContact O-CB 3.3Å; T9-A18 WeakPolarHBondContact O-CB 3.46Å; T9-W22 PolarHBondContact OG1-NE1 3.21Å; T9-W22 VanDerWaalsContact OG1-NE1 3.07Å; T9-C112 HydrophobicContact CG2-CB 4.33Å
10T96.6Very high95.5Very high7 Ų769.5 Ų69.54%0.04338%0.379CS..Hα-helixtrans-106.7-21.5-176.158.10000114.2S6 A7 R19 F32 I36S6-T10 WeakPolarHBondContact O-CB 3.43Å; S6-T10 WeakPolarHBondContact O-CG2 3.4Å; S6-T10 PolarHBondContact O-N 2.96Å; S6-T10 PolarHBondContact O-OG1 3.4Å; A7-T10 WeakPolarHBondContact CA-OG1 3.42Å; T10-R19 WeakPolarHBondContact O-CD 3.26Å; T10-R19 WeakPolarHBondContact O-CG 3.35Å; T10-R19 PolarHBondContact O-NH1 2.81Å; T10-F32 HydrophobicContact CG2-CD1 3.81Å; T10-F32 HydrophobicContact CG2-CE1 4.14Å; T10-I36 HydrophobicContact CG2-CD1 4.01Å
11H94.4Very high95.6Very high87 Ų8772.2 Ų72.240%0.40339%0.393SS..SBendtrans-110156.1-173.9-65.862.7000114.1A7 M15A7-H11 WeakPolarHBondContact CA-ND1 3.46Å; A7-H11 WeakPolarHBondContact O-CB 3.37Å; A7-H11 PolarHBondContact O-N 3.48Å; A7-H11 VanDerWaalsContact O-N 3.07Å; H11-M15 WeakPolarHBondContact O-CB 3.37Å
12G93.7Very high96.4Very high51 Ų5165.2 Ų65.253%0.52636%0.357SS..SBendtrans82.8154.2172.600000114.9N14 M15 R19G12-N14 VanDerWaalsContact C-N 3.33Å; G12-N14 PolarHBondContact O-N 3.38Å; G12-M15 PolarHBondContact O-N 2.73Å; G12-R19 VanDerWaalsContact O-CZ 3.3Å; G12-R19 PolarHBondContact O-NH1 3.44Å; G12-R19 PolarHBondContact O-NH2 3.37Å
13R94.9Very high96.8Very high228 Ų22868.3 Ų68.386%0.8636%0.364SS*.G310 helixtrans-60.7-39.7-175.7-174176.8178.1179.7-0.8112.6M15 A16R13-M15 PolarHBondContact O-N 2.91Å; R13-A16 WeakPolarHBondContact O-CB 3.47Å; R13-A16 PolarHBondContact O-N 3.13Å
14N95.8Very high96.9Very high157 Ų15765.4 Ų65.484%0.8437%0.367SS*.G310 helixtrans-67.4-20.3-176.2-66.5-5.8000113.5G12 A16G12-N14 VanDerWaalsContact C-N 3.33Å; G12-N14 PolarHBondContact O-N 3.38Å; N14-A16 VanDerWaalsContact C-N 3.31Å; N14-A16 PolarHBondContact O-N 2.7Å
15M96.2Very high96.8Very high66 Ų6667.3 Ų67.333%0.32538%0.382SS..G310 helixtrans-95.123178.3-57.4-56.9-68.200113T8 T9 H11 G12 R13 G17 A18 R19T8-M15 VanDerWaalsContact O-CE 3.24Å; T8-M15 WeakPolarHBondContact O-CE 3.39Å; T8-M15 VanDerWaalsContact O-CG 3.24Å; T8-M15 WeakPolarHBondContact O-CG 3.21Å; T9-M15 HydrophobicContact CG2-CE 4.4Å; H11-M15 WeakPolarHBondContact O-CB 3.37Å; G12-M15 PolarHBondContact O-N 2.73Å; R13-M15 PolarHBondContact O-N 2.91Å; M15-G17 VanDerWaalsContact C-N 3.28Å; M15-G17 PolarHBondContact O-N 2.88Å; M15-A18 HydrophobicContact CE-CB 3.88Å; M15-A18 PolarHBondContact O-N 3.34Å; M15-R19 PolarHBondContact O-N 2.9Å
16A97.1Very high96.7Very high53 Ų5367 Ų6744%0.43840%0.399SS..Hα-helixtrans-59.4-37.5177.100000112.7R13 N14 R19 A20R13-A16 WeakPolarHBondContact O-CB 3.47Å; R13-A16 PolarHBondContact O-N 3.13Å; N14-A16 VanDerWaalsContact C-N 3.31Å; N14-A16 PolarHBondContact O-N 2.7Å; A16-R19 PolarHBondContact O-N 2.69Å; A16-A20 WeakPolarHBondContact O-CB 3.44Å; A16-A20 PolarHBondContact O-N 3.43Å
17G97.4Very high96.7Very high50 Ų5067.3 Ų67.352%0.51540%0.4SS..Hα-helixtrans-63.7-45.6176.400000112.7M15 A20 L21M15-G17 VanDerWaalsContact C-N 3.28Å; M15-G17 PolarHBondContact O-N 2.88Å; G17-A20 WeakPolarHBondContact O-CB 3.44Å; G17-A20 PolarHBondContact O-N 3.4Å; G17-L21 PolarHBondContact O-N 3.43Å; G17-L21 VanDerWaalsContact O-N 3.08Å
18A97.5Very high96.6Very high25 Ų2570.4 Ų70.421%0.20742%0.419CS..Hα-helixtrans-62-44.6175.500000111.6T9 M15 A20 L21 W22T9-A18 VanDerWaalsContact O-CB 3.3Å; T9-A18 WeakPolarHBondContact O-CB 3.46Å; M15-A18 HydrophobicContact CE-CB 3.88Å; M15-A18 PolarHBondContact O-N 3.34Å; A18-A20 VanDerWaalsContact C-N 3.31Å; A18-A20 PolarHBondContact O-N 2.87Å; A18-L21 PolarHBondContact O-N 3.23Å; A18-W22 VanDerWaalsContact O-CD1 3.26Å; A18-W22 PolarHBondContact O-N 3.3Å
19R97.5Very high96.6Very high50 Ų5071.6 Ų71.619%0.18942%0.422CS..Hα-helixtrans-59.7-38.7173-79-163.5-65.3-71.6-4.8113T10 G12 M15 A16 L21 W22 R23 F32T10-R19 WeakPolarHBondContact O-CD 3.26Å; T10-R19 WeakPolarHBondContact O-CG 3.35Å; T10-R19 PolarHBondContact O-NH1 2.81Å; G12-R19 VanDerWaalsContact O-CZ 3.3Å; G12-R19 PolarHBondContact O-NH1 3.44Å; G12-R19 PolarHBondContact O-NH2 3.37Å; M15-R19 PolarHBondContact O-N 2.9Å; A16-R19 PolarHBondContact O-N 2.69Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-W22 PolarHBondContact O-N 2.96Å; R19-R23 VanDerWaalsContact O-CG 3.28Å; R19-R23 WeakPolarHBondContact O-CG 3.2Å; R19-R23 PolarHBondContact O-N 3.02Å; R19-F32 HydrophobicContact CB-CE1 4.27Å; R19-F32 HydrophobicContact CB-CE2 4.48Å; R19-F32 HydrophobicContact CB-CZ 3.87Å; R19-F32 HydrophobicContact CG-CD1 4.29Å; R19-F32 HydrophobicContact CG-CE1 3.76Å; R19-F32 HydrophobicContact CG-CE2 4.32Å; R19-F32 HydrophobicContact CG-CZ 3.78Å
20A98Very high96.5Very high57 Ų5774.3 Ų74.347%0.47145%0.446SS..Hα-helixtrans-62.5-42.6177.100000111.5A16 G17 A18 R23 A24A16-A20 WeakPolarHBondContact O-CB 3.44Å; A16-A20 PolarHBondContact O-N 3.43Å; G17-A20 WeakPolarHBondContact O-CB 3.44Å; G17-A20 PolarHBondContact O-N 3.4Å; A18-A20 VanDerWaalsContact C-N 3.31Å; A18-A20 PolarHBondContact O-N 2.87Å; A20-R23 WeakPolarHBondContact O-CB 3.37Å; A20-R23 PolarHBondContact O-N 3.2Å; A20-A24 PolarHBondContact O-N 3.25Å
21L97.9Very high96.6Very high127 Ų12775.4 Ų75.467%0.66545%0.452SS*.Hα-helixtrans-65.8-41.9173.7-68.1172.8000111.9G17 A18 R19 R23 A24 T25G17-L21 PolarHBondContact O-N 3.43Å; G17-L21 VanDerWaalsContact O-N 3.08Å; A18-L21 PolarHBondContact O-N 3.23Å; R19-L21 VanDerWaalsContact C-N 3.34Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.26Å; L21-A24 WeakPolarHBondContact O-CA 3.5Å; L21-A24 WeakPolarHBondContact O-CB 3.45Å; L21-A24 PolarHBondContact O-N 3.43Å; L21-T25 WeakPolarHBondContact O-CG2 3.37Å; L21-T25 PolarHBondContact O-N 2.77Å
22W97.5Very high96.6Very high24 Ų2473.2 Ų73.29%0.09144%0.441CS..Hα-helixtrans-57.8-40.7175-81.8128.7000112.5T9 A18 R19 A24 T25 M27 F32 I36 K72 H111T9-W22 PolarHBondContact OG1-NE1 3.21Å; T9-W22 VanDerWaalsContact OG1-NE1 3.07Å; A18-W22 VanDerWaalsContact O-CD1 3.26Å; A18-W22 PolarHBondContact O-N 3.3Å; R19-W22 PolarHBondContact O-N 2.96Å; W22-A24 VanDerWaalsContact C-N 3.31Å; W22-A24 PolarHBondContact O-N 3.46Å; W22-T25 HydrophobicContact CE3-CG2 4.25Å; W22-T25 WeakPolarHBondContact O-CA 3.39Å; W22-T25 WeakPolarHBondContact O-CB 3.47Å; W22-T25 PolarHBondContact O-N 3.17Å; W22-T25 PolarHBondContact O-OG1 2.95Å; W22-M27 HydrophobicContact CB-CB 4.45Å; W22-M27 HydrophobicContact CB-SD 3.71Å; W22-M27 HydrophobicContact CD2-SD 3.69Å; W22-M27 HydrophobicContact CE3-SD 3.51Å; W22-M27 VanDerWaalsContact CE3-SD 3.51Å; W22-M27 HydrophobicContact CG-SD 3.82Å; W22-M27 HydrophobicContact CZ3-SD 4.37Å; W22-M27 WeakPolarHBondContact O-CB 3.34Å; W22-M27 PolarHBondContact O-N 3.12Å; W22-F32 HydrophobicContact CB-CE1 3.96Å; W22-F32 HydrophobicContact CB-CZ 4.18Å; W22-F32 HydrophobicContact CG-CE1 4.48Å; W22-I36 HydrophobicContact CH2-CD1 4.28Å; W22-I36 HydrophobicContact CZ2-CD1 3.93Å; W22-K72 HydrophobicContact CH2-CG 4.43Å; W22-K72 HydrophobicContact CZ3-CD 4.1Å; W22-K72 HydrophobicContact CZ3-CG 3.88Å; W22-H111 HydrophobicContact CH2-CB 4.33Å; W22-H111 HydrophobicContact CZ2-CB 4.38Å
23R98Very high96.7Very high100 Ų10072.6 Ų72.638%0.37743%0.434SS..Hα-helixtrans-61.8-38.6173.5-69.3170.9179.8-717.1112.6R19 A20 L21 T25 G26 M27 D29 F32R19-R23 VanDerWaalsContact O-CG 3.28Å; R19-R23 WeakPolarHBondContact O-CG 3.2Å; R19-R23 PolarHBondContact O-N 3.02Å; A20-R23 WeakPolarHBondContact O-CB 3.37Å; A20-R23 PolarHBondContact O-N 3.2Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.26Å; R23-T25 PolarHBondContact O-N 2.96Å; R23-G26 WeakPolarHBondContact O-CA 3.25Å; R23-G26 PolarHBondContact O-N 3.46Å; R23-M27 WeakPolarHBondContact CA-O 3.13Å; R23-D29 IonicContact CZ-OD1 3.64Å; R23-D29 IonicContact NH1-OD1 3.38Å; R23-D29 PolarHBondContact NH1-OD1 3.25Å; R23-D29 VanDerWaalsContact NH2-CG 3.29Å; R23-D29 IonicContact NH2-OD1 3.92Å; R23-D29 PolarHBondContact NH2-OD1 3Å; R23-D29 IonicContact NH2-OD2 3.7Å; R23-D29 PolarHBondContact NH2-OD2 3.44Å; R23-F32 HydrophobicContact CG-CE2 4.23Å; R23-F32 HydrophobicContact CG-CZ 4.09Å
24A97.8Very high96.8Very high88 Ų8864.9 Ų64.973%0.72741%0.407SS*.Hα-helixtrans-64.1-22.5174.400000112.8A20 L21 W22 G26A20-A24 PolarHBondContact O-N 3.25Å; L21-A24 WeakPolarHBondContact O-CA 3.5Å; L21-A24 WeakPolarHBondContact O-CB 3.45Å; L21-A24 PolarHBondContact O-N 3.43Å; W22-A24 VanDerWaalsContact C-N 3.31Å; W22-A24 PolarHBondContact O-N 3.46Å; A24-G26 PolarHBondContact O-N 3.11Å
25T96Very high96.9Very high71 Ų7157.5 Ų57.544%0.43637%0.368SS..THydrogen-bonded Turntrans-82.36.2170.179.90000113.9L21 W22 R23 K72L21-T25 WeakPolarHBondContact O-CG2 3.37Å; L21-T25 PolarHBondContact O-N 2.77Å; W22-T25 HydrophobicContact CE3-CG2 4.25Å; W22-T25 WeakPolarHBondContact O-CA 3.39Å; W22-T25 WeakPolarHBondContact O-CB 3.47Å; W22-T25 PolarHBondContact O-N 3.17Å; W22-T25 PolarHBondContact O-OG1 2.95Å; R23-T25 PolarHBondContact O-N 2.96Å; T25-K72 PolarHBondContact O-NZ 3.44Å; T25-K72 WeakPolarHBondContact OG1-CE 3.48Å; T25-K72 PolarHBondContact OG1-NZ 2.74Å; T25-K72 VanDerWaalsContact OG1-NZ 3.11Å
26G96Very high97Very high57 Ų5754.5 Ų54.559%0.58835%0.353SS*.THydrogen-bonded Turntrans93.83.2-179.400000115.7R23 A24R23-G26 WeakPolarHBondContact O-CA 3.25Å; R23-G26 PolarHBondContact O-N 3.46Å; A24-G26 PolarHBondContact O-N 3.11Å
27M97.1Very high97.1Very high8 Ų852 Ų524%0.03933%0.332CS..  trans-69.9138.3176.2-69-177.865.700112W22 R23 D31 F32 I36 V70W22-M27 HydrophobicContact CB-CB 4.45Å; W22-M27 HydrophobicContact CB-SD 3.71Å; W22-M27 HydrophobicContact CD2-SD 3.69Å; W22-M27 HydrophobicContact CE3-SD 3.51Å; W22-M27 VanDerWaalsContact CE3-SD 3.51Å; W22-M27 HydrophobicContact CG-SD 3.82Å; W22-M27 HydrophobicContact CZ3-SD 4.37Å; W22-M27 WeakPolarHBondContact O-CB 3.34Å; W22-M27 PolarHBondContact O-N 3.12Å; R23-M27 WeakPolarHBondContact CA-O 3.13Å; M27-D31 HydrophobicContact CB-CB 4.29Å; M27-D31 HydrophobicContact CE-CB 3.84Å; M27-D31 HydrophobicContact CG-CB 4.48Å; M27-F32 HydrophobicContact CE-CD1 3.87Å; M27-F32 HydrophobicContact CE-CE1 3.85Å; M27-I36 HydrophobicContact CE-CD1 4.34Å; M27-I36 HydrophobicContact SD-CD1 4.43Å; M27-V70 HydrophobicContact CE-CG1 4.15Å; M27-V70 HydrophobicContact CE-CG2 4.28Å; M27-V70 HydrophobicContact CG-CG1 4.17Å; M27-V70 HydrophobicContact SD-CG1 4.1Å
28T96.6Very high97.2Very high70 Ų7049.9 Ų49.943%0.42931%0.31SS..  trans-101.9173.5176.170.20000111.6A30 D31T28-A30 PolarHBondContact O-N 2.92Å; T28-A30 PolarHBondContact OG1-N 3.35Å; T28-D31 WeakPolarHBondContact CB-OD2 3.35Å; T28-D31 PolarHBondContact N-OD2 3.45Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 3.04Å; T28-D31 PolarHBondContact OG1-OD2 3.23Å
29D95.3Very high97.2Very high112 Ų11248.7 Ų48.760%0.59930%0.3SS*.G310 helixtrans-58-36.2174.9-71.740.7000111.9R23 D31 F32R23-D29 IonicContact CZ-OD1 3.64Å; R23-D29 IonicContact NH1-OD1 3.38Å; R23-D29 PolarHBondContact NH1-OD1 3.25Å; R23-D29 VanDerWaalsContact NH2-CG 3.29Å; R23-D29 IonicContact NH2-OD1 3.92Å; R23-D29 PolarHBondContact NH2-OD1 3Å; R23-D29 IonicContact NH2-OD2 3.7Å; R23-D29 PolarHBondContact NH2-OD2 3.44Å; D29-D31 PolarHBondContact O-N 3.08Å; D29-F32 PolarHBondContact O-N 3.27Å
30A96Very high97.3Very high72 Ų7246.3 Ų46.360%0.59529%0.291SS*.G310 helixtrans-69.3-15.3179.300000113.1T28 K34T28-A30 PolarHBondContact O-N 2.92Å; T28-A30 PolarHBondContact OG1-N 3.35Å; A30-K34 WeakPolarHBondContact O-CE 3.49Å; A30-K34 PolarHBondContact O-NZ 3.23Å
31D97.3Very high97.3Very high31 Ų3143.6 Ų43.617%0.16627%0.269CS..G310 helixtrans-88.2-23.4179.7-60.4-43.5000112.6M27 T28 D29 G33 K34 V70M27-D31 HydrophobicContact CB-CB 4.29Å; M27-D31 HydrophobicContact CE-CB 3.84Å; M27-D31 HydrophobicContact CG-CB 4.48Å; T28-D31 WeakPolarHBondContact CB-OD2 3.35Å; T28-D31 PolarHBondContact N-OD2 3.45Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 3.04Å; T28-D31 PolarHBondContact OG1-OD2 3.23Å; D29-D31 PolarHBondContact O-N 3.08Å; D31-G33 PolarHBondContact O-N 2.72Å; D31-K34 WeakPolarHBondContact O-CB 3.38Å; D31-K34 PolarHBondContact O-N 3.47Å; D31-K34 IonicContact OD1-NZ 2.86Å; D31-K34 PolarHBondContact OD1-NZ 2.95Å; D31-V70 HydrophobicContact CB-CG2 3.74Å
32F95.9Very high97.3Very high41 Ų4137.6 Ų37.618%0.1824%0.237CC..THydrogen-bonded Turntrans-70121.4175.5-65-53.7000110.8T10 R19 W22 R23 M27 D29T10-F32 HydrophobicContact CG2-CD1 3.81Å; T10-F32 HydrophobicContact CG2-CE1 4.14Å; R19-F32 HydrophobicContact CB-CE1 4.27Å; R19-F32 HydrophobicContact CB-CE2 4.48Å; R19-F32 HydrophobicContact CB-CZ 3.87Å; R19-F32 HydrophobicContact CG-CD1 4.29Å; R19-F32 HydrophobicContact CG-CE1 3.76Å; R19-F32 HydrophobicContact CG-CE2 4.32Å; R19-F32 HydrophobicContact CG-CZ 3.78Å; W22-F32 HydrophobicContact CB-CE1 3.96Å; W22-F32 HydrophobicContact CB-CZ 4.18Å; W22-F32 HydrophobicContact CG-CE1 4.48Å; R23-F32 HydrophobicContact CG-CE2 4.23Å; R23-F32 HydrophobicContact CG-CZ 4.09Å; M27-F32 HydrophobicContact CE-CD1 3.87Å; M27-F32 HydrophobicContact CE-CE1 3.85Å; D29-F32 PolarHBondContact O-N 3.27Å
33G94.1Very high97.3Very high37 Ų3738.9 Ų38.938%0.38124%0.244SC..THydrogen-bonded Turntrans108.6-18.7-175.500000113.6D31D31-G33 PolarHBondContact O-N 2.72Å
34K97.6Very high97.3Very high66 Ų6635.5 Ų35.529%0.28723%0.234SC..SBendtrans-76.1153.8169.6-63.5178.9-172.61610110.8A30 D31 I36 V70A30-K34 WeakPolarHBondContact O-CE 3.49Å; A30-K34 PolarHBondContact O-NZ 3.23Å; D31-K34 WeakPolarHBondContact O-CB 3.38Å; D31-K34 PolarHBondContact O-N 3.47Å; D31-K34 IonicContact OD1-NZ 2.86Å; D31-K34 PolarHBondContact OD1-NZ 2.95Å; K34-I36 PolarHBondContact O-N 2.88Å; K34-V70 HydrophobicContact CB-CG2 3.92Å; K34-V70 HydrophobicContact CD-CG2 4.1Å
35P98.3Very high97.2Very high3 Ų338.7 Ų38.72%0.01923%0.234CC..PPolyproline II helixtrans-65.4133.3172.525.6-32.4000111.4Y4 V70 D114 T243Y4-P35 HydrophobicContact CD1-CB 4.29Å; Y4-P35 HydrophobicContact CE1-CB 3.85Å; P35-V70 PolarHBondContact O-N 3Å; P35-D114 VanDerWaalsContact CA-OD2 3.28Å; P35-D114 WeakPolarHBondContact CA-OD2 3.48Å; P35-D114 HydrophobicContact CB-CB 4.23Å; P35-T243 HydrophobicContact CB-CG2 3.58Å; P35-T243 HydrophobicContact CG-CG2 4.24Å
36I98.7Very high97.1Very high3 Ų343.3 Ų43.32%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-89.1119.2171.5-59.1-176.1000108.6T10 W22 M27 K34 V70 K72 D114T10-I36 HydrophobicContact CG2-CD1 4.01Å; W22-I36 HydrophobicContact CH2-CD1 4.28Å; W22-I36 HydrophobicContact CZ2-CD1 3.93Å; M27-I36 HydrophobicContact CE-CD1 4.34Å; M27-I36 HydrophobicContact SD-CD1 4.43Å; K34-I36 PolarHBondContact O-N 2.88Å; I36-V70 CarbonylContact C-O 3.44Å; I36-V70 WeakPolarHBondContact CA-O 3.42Å; I36-V70 HydrophobicContact CG1-CB 4.33Å; I36-K72 HydrophobicContact CG2-CG 4.29Å; I36-D114 PolarHBondContact N-OD2 2.93Å; I36-D114 WeakPolarHBondContact O-CB 3.37Å; I36-D114 PolarHBondContact O-N 3.12Å
37I98.9Very high97.2Very high0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-111.1122.5-178.7-51.9-167.8000109.1I64 V70 K72 A115 V117 I239 V240I37-I64 HydrophobicContact CB-CD1 4.11Å; I37-I64 HydrophobicContact CB-CG2 4.03Å; I37-I64 HydrophobicContact CD1-CG1 4.5Å; I37-I64 HydrophobicContact CD1-CG2 3.95Å; I37-I64 HydrophobicContact CG1-CG2 4.14Å; I37-I64 HydrophobicContact CG2-CD1 3.78Å; I37-I64 HydrophobicContact CG2-CG1 4.48Å; I37-V70 PolarHBondContact N-O 2.89Å; I37-K72 PolarHBondContact O-N 3.21Å; I37-A115 WeakPolarHBondContact CA-O 3.07Å; I37-A115 HydrophobicContact CG1-CB 4.38Å; I37-A115 HydrophobicContact CG2-CB 4.42Å; I37-V117 HydrophobicContact CG2-CG2 4.35Å; I37-I239 HydrophobicContact CD1-CB 4.44Å; I37-I239 HydrophobicContact CD1-CG1 4.16Å; I37-I239 HydrophobicContact CD1-CG2 3.74Å; I37-I239 HydrophobicContact CG2-CG1 3.83Å; I37-I239 HydrophobicContact CG2-CG2 4Å; I37-V240 HydrophobicContact CD1-CB 4.26Å; I37-V240 HydrophobicContact CD1-CG2 3.51Å
38A98.8Very high97.1Very high6 Ų642.9 Ų42.95%0.0524%0.235CC..EExtended strand (participates in β ladder)trans-80.6124.9176.400000110.1K72 F74 V108 A113 A115 M116 V117A38-K72 WeakPolarHBondContact CA-O 3.45Å; A38-F74 HydrophobicContact CB-CD1 4.39Å; A38-F74 HydrophobicContact CB-CE1 3.94Å; A38-V108 HydrophobicContact CB-CG2 4.36Å; A38-A113 HydrophobicContact CB-CB 3.95Å; A38-A115 PolarHBondContact N-O 3.3Å; A38-M116 HydrophobicContact CB-CB 4.2Å; A38-M116 CarbonylContact O-C 3.09Å; A38-M116 WeakPolarHBondContact O-CA 3.43Å; A38-M116 WeakPolarHBondContact O-CB 3.44Å; A38-V117 PolarHBondContact O-N 3.3Å
39V98.9Very high97.1Very high0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-95.1102.9170.9-177.50000107N41 V60 I64 A71 K72 E73 F74 I119V39-N41 PolarHBondContact O-N 2.98Å; V39-V60 HydrophobicContact CG1-CB 4.35Å; V39-V60 HydrophobicContact CG1-CG1 4.24Å; V39-V60 HydrophobicContact CG2-CG1 4.08Å; V39-I64 HydrophobicContact CG2-CD1 3.54Å; V39-A71 HydrophobicContact CG2-CB 4.41Å; V39-K72 PolarHBondContact N-O 3.42Å; V39-E73 HydrophobicContact CB-CB 4.16Å; V39-E73 HydrophobicContact CB-CG 4.39Å; V39-E73 HydrophobicContact CG1-CG 4.42Å; V39-E73 WeakPolarHBondContact O-CA 3.4Å; V39-F74 PolarHBondContact O-N 2.88Å; V39-I119 HydrophobicContact CG1-CD1 3.7Å; V39-I119 HydrophobicContact CG1-CG1 4.42Å
40V98.8Very high97.2Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-84.897.6-179.1-169.20000108.1F74 T76 V104 M116 V117 I119 M129V40-F74 HydrophobicContact CB-CE1 4.28Å; V40-F74 HydrophobicContact CB-CZ 4.12Å; V40-F74 HydrophobicContact CG1-CE1 4.41Å; V40-F74 HydrophobicContact CG1-CE2 4.05Å; V40-F74 HydrophobicContact CG1-CZ 3.77Å; V40-F74 HydrophobicContact CG2-CE1 3.68Å; V40-F74 HydrophobicContact CG2-CZ 3.66Å; V40-T76 HydrophobicContact CG1-CG2 4.48Å; V40-V104 HydrophobicContact CG1-CG1 4.48Å; V40-V104 HydrophobicContact CG1-CG2 3.53Å; V40-V104 HydrophobicContact CG2-CG1 4.18Å; V40-M116 HydrophobicContact CG2-CB 4.16Å; V40-M116 HydrophobicContact CG2-SD 4.3Å; V40-V117 PolarHBondContact N-O 2.92Å; V40-I119 PolarHBondContact O-N 2.67Å; V40-M129 HydrophobicContact CB-CE 4.37Å; V40-M129 HydrophobicContact CB-SD 4.41Å; V40-M129 HydrophobicContact CG1-CE 3.62Å; V40-M129 HydrophobicContact CG1-CG 4.44Å; V40-M129 HydrophobicContact CG1-SD 4Å
41N98.5Very high97.2Very high0 Ų032.8 Ų32.80%017%0.171CC..EExtended strand (participates in β ladder)trans-94157.5175.6-158.4-12000110.7V39 F43 L53 E73 F74 N75 T76V39-N41 PolarHBondContact O-N 2.98Å; N41-F43 PolarHBondContact OD1-N 3.46Å; N41-L53 PolarHBondContact ND2-O 3.48Å; N41-E73 HydrophobicContact CB-CG 4.23Å; N41-E73 WeakPolarHBondContact CB-OE1 3.32Å; N41-E73 PolarHBondContact ND2-OE1 3.34Å; N41-F74 PolarHBondContact N-O 2.92Å; N41-N75 CarbonylContact O-C 3.33Å; N41-N75 VanDerWaalsContact O-CA 3.28Å; N41-N75 WeakPolarHBondContact O-CA 3.46Å; N41-T76 PolarHBondContact O-N 3.24Å
42S97.7Very high97.2Very high0 Ų032 Ų320%017%0.166CC..  trans-131.728.3177.554.20000111.3T44 H50 I119S42-T44 PolarHBondContact O-N 3.34Å; S42-H50 WeakPolarHBondContact CB-ND1 3.36Å; S42-H50 WeakPolarHBondContact O-CB 3.45Å; S42-H50 PolarHBondContact O-ND1 2.9Å; S42-H50 PolarHBondContact OG-CE1 2.72Å; S42-H50 PolarHBondContact OG-ND1 2.93Å; S42-I119 PolarHBondContact OG-O 2.79Å
43F97.7Very high97.3Very high52 Ų5230.1 Ų30.123%0.22816%0.158CC..  trans-58.3133.8179.1164.3-106.9000111.5N41 Q45 H50 V51 L53 R54N41-F43 PolarHBondContact OD1-N 3.46Å; F43-Q45 HydrophobicContact CE2-CG 4.23Å; F43-Q45 HydrophobicContact CZ-CG 3.78Å; F43-H50 WeakPolarHBondContact CD2-O 3.35Å; F43-V51 WeakPolarHBondContact CE2-O 3.43Å; F43-L53 HydrophobicContact CB-CB 4.22Å; F43-R54 HydrophobicContact CD1-CB 4.05Å; F43-R54 HydrophobicContact CD1-CG 3.99Å; F43-R54 HydrophobicContact CD2-CB 3.53Å; F43-R54 HydrophobicContact CD2-CG 4.34Å; F43-R54 HydrophobicContact CE1-CB 4.07Å; F43-R54 HydrophobicContact CE1-CG 3.83Å; F43-R54 HydrophobicContact CE2-CB 3.58Å; F43-R54 HydrophobicContact CE2-CG 4.22Å; F43-R54 HydrophobicContact CG-CB 3.78Å; F43-R54 HydrophobicContact CG-CG 4.23Å; F43-R54 HydrophobicContact CZ-CB 3.84Å; F43-R54 HydrophobicContact CZ-CG 3.95Å
44T96.7Very high97.4Very high28 Ų2835 Ų3517%0.17217%0.165CC..  trans-158.1149.2168.2176.80000109.2S42 F46 V47 H50 V51 A78S42-T44 PolarHBondContact O-N 3.34Å; T44-F46 VanDerWaalsContact C-N 3.29Å; T44-F46 PolarHBondContact OG1-N 2.76Å; T44-V47 HydrophobicContact CG2-CB 3.73Å; T44-V47 HydrophobicContact CG2-CG2 3.33Å; T44-H50 HydrophobicContact CG2-CB 4.1Å; T44-V51 PolarHBondContact O-N 3.28Å; T44-A78 HydrophobicContact CG2-CB 3.83Å
45Q95.9Very high97.2Very high156 Ų15636.4 Ų36.473%0.72918%0.175SC*.THydrogen-bonded Turntrans-80.8-10.7175.8-62.3-175.4-87.300113.1F43 V47F43-Q45 HydrophobicContact CE2-CG 4.23Å; F43-Q45 HydrophobicContact CZ-CG 3.78Å; Q45-V47 VanDerWaalsContact C-N 3.33Å
46F95.1Very high97.2Very high168 Ų16836.7 Ų36.774%0.73718%0.177SC*.THydrogen-bonded Turntrans-74.9-22.3178.3-78.7-91.7000113.4T44 I83T44-F46 VanDerWaalsContact C-N 3.29Å; T44-F46 PolarHBondContact OG1-N 2.76Å; F46-I83 VanDerWaalsContact O-CD1 3.27Å; F46-I83 WeakPolarHBondContact O-CD1 3.4Å
47V96.6Very high97.1Very high1 Ų136.6 Ų36.61%0.00618%0.176CC..  trans-118.8114.5-167.3-174.50000108.6T44 Q45 G49 H50 V51 A78 D80 C122T44-V47 HydrophobicContact CG2-CB 3.73Å; T44-V47 HydrophobicContact CG2-CG2 3.33Å; Q45-V47 VanDerWaalsContact C-N 3.33Å; V47-G49 PolarHBondContact O-N 3.48Å; V47-G49 VanDerWaalsContact O-N 3.15Å; V47-H50 HydrophobicContact CB-CB 4.05Å; V47-H50 HydrophobicContact CG1-CB 4.29Å; V47-H50 WeakPolarHBondContact CG1-CD2 3.46Å; V47-H50 CarbonylContact O-C 3.59Å; V47-H50 PolarHBondContact O-N 2.95Å; V47-V51 PolarHBondContact O-N 2.84Å; V47-A78 HydrophobicContact CG2-CB 4.07Å; V47-D80 HydrophobicContact CB-CB 4.28Å; V47-D80 HydrophobicContact CG1-CB 4.08Å; V47-D80 WeakPolarHBondContact CG1-OD2 3.47Å; V47-D80 HydrophobicContact CG2-CB 3.93Å; V47-C122 HydrophobicContact CG1-CB 3.98Å
48P95.7Very high97Very high54 Ų5442.6 Ų42.635%0.35120%0.202SC..THydrogen-bonded Turntrans-56.9-30.6178.4-26.235.5000113.5H50 D80 G193P48-H50 PolarHBondContact O-N 3.36Å; P48-D80 VanDerWaalsContact CD-OD2 3.29Å; P48-D80 WeakPolarHBondContact CD-OD2 3.4Å; P48-G193 PolarHBondContact O-N 3.39Å; P48-G193 VanDerWaalsContact O-N 3.08Å
49G96Very high97Very high2 Ų243.6 Ų43.62%0.02121%0.207CC..THydrogen-bonded Turntrans-71-9.2174.200000115.6V47 H52 N121 G193V47-G49 PolarHBondContact O-N 3.48Å; V47-G49 VanDerWaalsContact O-N 3.15Å; G49-H52 PolarHBondContact O-CE1 2.87Å; G49-H52 VanDerWaalsContact O-CE1 3.23Å; G49-N121 WeakPolarHBondContact O-CB 3.29Å; G49-N121 PolarHBondContact O-ND2 3.35Å; G49-G193 WeakPolarHBondContact CA-O 3.38Å; G49-G193 PolarHBondContact N-O 3.24Å
50H97.4Very high97Very high0 Ų043.6 Ų43.60%021%0.207CC..THydrogen-bonded Turntrans-127.1-11.1-175.3-65.9-116.2000113.9S42 F43 T44 V47 P48 H52 L53 C122S42-H50 WeakPolarHBondContact CB-ND1 3.36Å; S42-H50 WeakPolarHBondContact O-CB 3.45Å; S42-H50 PolarHBondContact O-ND1 2.9Å; S42-H50 PolarHBondContact OG-CE1 2.72Å; S42-H50 PolarHBondContact OG-ND1 2.93Å; F43-H50 WeakPolarHBondContact CD2-O 3.35Å; T44-H50 HydrophobicContact CG2-CB 4.1Å; V47-H50 HydrophobicContact CB-CB 4.05Å; V47-H50 HydrophobicContact CG1-CB 4.29Å; V47-H50 WeakPolarHBondContact CG1-CD2 3.46Å; V47-H50 CarbonylContact O-C 3.59Å; V47-H50 PolarHBondContact O-N 2.95Å; P48-H50 PolarHBondContact O-N 3.36Å; H50-H52 PolarHBondContact O-N 3.09Å; H50-H52 VanDerWaalsContact O-N 3.15Å; H50-L53 HydrophobicContact CB-CD1 3.88Å; H50-L53 HydrophobicContact CB-CG 4.43Å; H50-L53 WeakPolarHBondContact O-CB 3.48Å; H50-L53 WeakPolarHBondContact O-CG 3.21Å; H50-L53 PolarHBondContact O-N 3.07Å; H50-C122 WeakPolarHBondContact NE2-CB 3.35Å; H50-C122 PolarHBondContact NE2-N 2.76Å
51V96.8Very high96.9Very high41 Ų4144.2 Ų44.225%0.24821%0.212CC..G310 helixtrans-58.7-30.2-176.470.40000113.1F43 T44 V47 C192F43-V51 WeakPolarHBondContact CE2-O 3.43Å; T44-V51 PolarHBondContact O-N 3.28Å; V47-V51 PolarHBondContact O-N 2.84Å; V51-C192 HydrophobicContact CG1-CB 3.88Å
52H97.2Very high96.9Very high15 Ų1548.2 Ų48.27%0.06923%0.231CC..G310 helixtrans-85.7-6.1-18065.2-62000113.9G49 H50 R54 G145 C192 A390G49-H52 PolarHBondContact O-CE1 2.87Å; G49-H52 VanDerWaalsContact O-CE1 3.23Å; H50-H52 PolarHBondContact O-N 3.09Å; H50-H52 VanDerWaalsContact O-N 3.15Å; H52-R54 PolarHBondContact O-N 3.33Å; H52-G145 PolarHBondContact NE2-O 2.98Å; H52-C192 HydrophobicContact CB-CB 4Å; H52-A390 HydrophobicContact CB-CB 4.12Å
53L97.8Very high97Very high0 Ų051.3 Ų51.30%025%0.245CC..G310 helixtrans-82-9.9-172.1-55.7-179.4000114.4N41 F43 H50 D55 L56 I119N41-L53 PolarHBondContact ND2-O 3.48Å; F43-L53 HydrophobicContact CB-CB 4.22Å; H50-L53 HydrophobicContact CB-CD1 3.88Å; H50-L53 HydrophobicContact CB-CG 4.43Å; H50-L53 WeakPolarHBondContact O-CB 3.48Å; H50-L53 WeakPolarHBondContact O-CG 3.21Å; H50-L53 PolarHBondContact O-N 3.07Å; L53-D55 VanDerWaalsContact C-N 3.31Å; L53-D55 PolarHBondContact O-N 3.47Å; L53-L56 HydrophobicContact CD2-CD1 3.62Å; L53-L56 PolarHBondContact O-N 3.44Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L53-I119 HydrophobicContact CD1-CG2 4.22Å; L53-I119 HydrophobicContact CD2-CG2 4.11Å
54R95.6Very high97Very high141 Ų14148.8 Ų48.853%0.53223%0.234SC..THydrogen-bonded Turntrans-50.3-50.9-173.9-171-179.563.5-156.2-10.3112.6F43 H52F43-R54 HydrophobicContact CD1-CB 4.05Å; F43-R54 HydrophobicContact CD1-CG 3.99Å; F43-R54 HydrophobicContact CD2-CB 3.53Å; F43-R54 HydrophobicContact CD2-CG 4.34Å; F43-R54 HydrophobicContact CE1-CB 4.07Å; F43-R54 HydrophobicContact CE1-CG 3.83Å; F43-R54 HydrophobicContact CE2-CB 3.58Å; F43-R54 HydrophobicContact CE2-CG 4.22Å; F43-R54 HydrophobicContact CG-CB 3.78Å; F43-R54 HydrophobicContact CG-CG 4.23Å; F43-R54 HydrophobicContact CZ-CB 3.84Å; F43-R54 HydrophobicContact CZ-CG 3.95Å; H52-R54 PolarHBondContact O-N 3.33Å
55D95.2Very high97.1Very high94 Ų9452.5 Ų52.550%0.50325%0.249SC..THydrogen-bonded Turntrans-94.7-1-172-57.1-43.6000111.6L53 L59L53-D55 VanDerWaalsContact C-N 3.31Å; L53-D55 PolarHBondContact O-N 3.47Å; D55-L59 PolarHBondContact O-N 3.48Å
56L97Very high97.2Very high10 Ų1049 Ų495%0.05225%0.247CC..Hα-helixtrans-80.7-29.9179.9-56.9-170.2000112.7L53 K58 L59 V60 F232 A390 F391L53-L56 HydrophobicContact CD2-CD1 3.62Å; L53-L56 PolarHBondContact O-N 3.44Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L56-K58 VanDerWaalsContact C-N 3.33Å; L56-L59 HydrophobicContact CD2-CD2 4.49Å; L56-L59 WeakPolarHBondContact O-CB 3.31Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-V60 WeakPolarHBondContact O-CG2 3.19Å; L56-V60 PolarHBondContact O-N 2.96Å; L56-F232 HydrophobicContact CB-CD1 4.07Å; L56-F232 HydrophobicContact CB-CE1 3.87Å; L56-F232 HydrophobicContact CB-CZ 4.48Å; L56-F232 HydrophobicContact CD1-CD1 4.32Å; L56-F232 HydrophobicContact CD1-CD2 4.48Å; L56-F232 HydrophobicContact CD1-CE1 3.65Å; L56-F232 HydrophobicContact CD1-CE2 3.85Å; L56-F232 HydrophobicContact CD1-CZ 3.39Å; L56-F232 HydrophobicContact CG-CE1 4.36Å; L56-A390 HydrophobicContact CD2-CB 4.45Å; L56-F391 HydrophobicContact CD1-CZ 4.24Å; L56-F391 HydrophobicContact CD2-CE2 3.47Å; L56-F391 VanDerWaalsContact CD2-CE2 3.47Å; L56-F391 HydrophobicContact CD2-CZ 3.66Å
57G96.4Very high97.4Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-59.8-45.2171.800000111.6L59 V60 A61G57-L59 PolarHBondContact O-N 2.81Å; G57-V60 PolarHBondContact O-N 2.78Å; G57-A61 WeakPolarHBondContact O-CB 3.42Å; G57-A61 PolarHBondContact O-N 2.84Å
58K97.3Very high97.5Very high126 Ų12643.6 Ų43.655%0.54824%0.236SC..Hα-helixtrans-58.3-46171.7-174-179.1178.5-170.10112.6L56 V60 A61 E62 E73L56-K58 VanDerWaalsContact C-N 3.33Å; K58-V60 VanDerWaalsContact C-N 3.29Å; K58-V60 PolarHBondContact O-N 2.91Å; K58-A61 WeakPolarHBondContact O-CB 3.49Å; K58-A61 PolarHBondContact O-N 2.86Å; K58-A61 VanDerWaalsContact O-N 3.16Å; K58-E62 WeakPolarHBondContact CE-OE1 3.36Å; K58-E62 IonicContact NZ-OE1 3.5Å; K58-E62 WeakPolarHBondContact O-CG 3.21Å; K58-E62 PolarHBondContact O-N 3.49Å; K58-E73 PolarHBondContact N-OE2 3.32Å
59L98Very high97.6Very high27 Ų2741.1 Ų41.114%0.14122%0.22CC..Hα-helixtrans-57.6-43.1178.6-17575.4000111.9D55 L56 G57 K229 F232 L233 F391D55-L59 PolarHBondContact O-N 3.48Å; L56-L59 HydrophobicContact CD2-CD2 4.49Å; L56-L59 WeakPolarHBondContact O-CB 3.31Å; L56-L59 PolarHBondContact O-N 3.49Å; G57-L59 PolarHBondContact O-N 2.81Å; L59-K229 HydrophobicContact CD2-CG 3.98Å; L59-F232 HydrophobicContact CD2-CB 3.84Å; L59-L233 HydrophobicContact CD1-CD2 3.85Å; L59-L233 HydrophobicContact CD2-CD2 4.31Å; L59-L233 HydrophobicContact CG-CD2 3.95Å; L59-F391 HydrophobicContact CD2-CE2 4.32Å
60V98.6Very high97.7Very high0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-68.3-42.7176.6172.10000111V39 L56 G57 K58 E62 Q63 I64 V117 I119 F232V39-V60 HydrophobicContact CG1-CB 4.35Å; V39-V60 HydrophobicContact CG1-CG1 4.24Å; V39-V60 HydrophobicContact CG2-CG1 4.08Å; L56-V60 WeakPolarHBondContact O-CG2 3.19Å; L56-V60 PolarHBondContact O-N 2.96Å; G57-V60 PolarHBondContact O-N 2.78Å; K58-V60 VanDerWaalsContact C-N 3.29Å; K58-V60 PolarHBondContact O-N 2.91Å; V60-E62 PolarHBondContact O-N 3.32Å; V60-Q63 PolarHBondContact O-N 3.43Å; V60-Q63 VanDerWaalsContact O-N 3.16Å; V60-I64 HydrophobicContact CG1-CD1 3.84Å; V60-I64 HydrophobicContact CG1-CG1 4.44Å; V60-I64 WeakPolarHBondContact O-CG1 3.33Å; V60-I64 PolarHBondContact O-N 2.88Å; V60-V117 HydrophobicContact CG1-CB 4.02Å; V60-V117 HydrophobicContact CG1-CG1 3.89Å; V60-V117 HydrophobicContact CG1-CG2 3.87Å; V60-I119 HydrophobicContact CB-CD1 4.49Å; V60-I119 HydrophobicContact CG2-CD1 4.03Å; V60-F232 HydrophobicContact CG2-CB 4.14Å; V60-F232 HydrophobicContact CG2-CD1 3.81Å; V60-F232 HydrophobicContact CG2-CG 4.49Å
61A98.6Very high97.7Very high13 Ų1341.5 Ų41.511%0.10722%0.223CC..Hα-helixtrans-58.1-45.3179.400000112.3G57 K58 Q63 I64 E65 A71G57-A61 WeakPolarHBondContact O-CB 3.42Å; G57-A61 PolarHBondContact O-N 2.84Å; K58-A61 WeakPolarHBondContact O-CB 3.49Å; K58-A61 PolarHBondContact O-N 2.86Å; K58-A61 VanDerWaalsContact O-N 3.16Å; A61-Q63 VanDerWaalsContact C-N 3.26Å; A61-Q63 PolarHBondContact O-N 3.23Å; A61-I64 WeakPolarHBondContact O-CB 3.48Å; A61-I64 PolarHBondContact O-N 2.93Å; A61-I64 VanDerWaalsContact O-N 3.16Å; A61-E65 WeakPolarHBondContact O-CG 3.13Å; A61-E65 PolarHBondContact O-N 3.32Å; A61-A71 VanDerWaalsContact CA-CB 3.45Å; A61-A71 HydrophobicContact CB-CB 3.44Å; A61-A71 VanDerWaalsContact CB-CB 3.44Å
62E98.4Very high97.8Very high85 Ų8542 Ų4240%0.39722%0.221SC..Hα-helixtrans-59.5-36.8177.2-71.4172.4174.300112.1K58 V60 A66K58-E62 WeakPolarHBondContact CE-OE1 3.36Å; K58-E62 IonicContact NZ-OE1 3.5Å; K58-E62 WeakPolarHBondContact O-CG 3.21Å; K58-E62 PolarHBondContact O-N 3.49Å; V60-E62 PolarHBondContact O-N 3.32Å; E62-A66 WeakPolarHBondContact O-CB 3.22Å; E62-A66 PolarHBondContact O-N 2.74Å
63Q98.7Very high97.9Very high64 Ų6444.9 Ų44.930%0.29924%0.235SC..Hα-helixtrans-74.6-34.4176.9-66.7-53.9-59.500113.3V60 A61 E65 A67 L233V60-Q63 PolarHBondContact O-N 3.43Å; V60-Q63 VanDerWaalsContact O-N 3.16Å; A61-Q63 VanDerWaalsContact C-N 3.26Å; A61-Q63 PolarHBondContact O-N 3.23Å; Q63-E65 VanDerWaalsContact C-N 3.35Å; Q63-A67 WeakPolarHBondContact O-CB 3.21Å; Q63-A67 PolarHBondContact O-N 3Å; Q63-L233 HydrophobicContact CG-CB 4.26Å; Q63-L233 HydrophobicContact CG-CD2 3.53Å
64I98.8Very high97.9Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-61.3-47.5172.5-72.5163.9000110I37 V39 V60 A61 A67 G68 G69 A71 V117 G236 I239 V240I37-I64 HydrophobicContact CB-CD1 4.11Å; I37-I64 HydrophobicContact CB-CG2 4.03Å; I37-I64 HydrophobicContact CD1-CG1 4.5Å; I37-I64 HydrophobicContact CD1-CG2 3.95Å; I37-I64 HydrophobicContact CG1-CG2 4.14Å; I37-I64 HydrophobicContact CG2-CD1 3.78Å; I37-I64 HydrophobicContact CG2-CG1 4.48Å; V39-I64 HydrophobicContact CG2-CD1 3.54Å; V60-I64 HydrophobicContact CG1-CD1 3.84Å; V60-I64 HydrophobicContact CG1-CG1 4.44Å; V60-I64 WeakPolarHBondContact O-CG1 3.33Å; V60-I64 PolarHBondContact O-N 2.88Å; A61-I64 WeakPolarHBondContact O-CB 3.48Å; A61-I64 PolarHBondContact O-N 2.93Å; A61-I64 VanDerWaalsContact O-N 3.16Å; I64-A67 PolarHBondContact O-N 2.89Å; I64-G68 PolarHBondContact O-N 2.98Å; I64-G69 PolarHBondContact O-N 3.4Å; I64-A71 HydrophobicContact CB-CB 4.02Å; I64-A71 HydrophobicContact CD1-CB 4.17Å; I64-A71 HydrophobicContact CG2-CB 3.89Å; I64-V117 HydrophobicContact CD1-CG2 4.09Å; I64-G236 VanDerWaalsContact CG1-O 3.3Å; I64-G236 WeakPolarHBondContact CG1-O 3.47Å; I64-I239 HydrophobicContact CD1-CG2 4.17Å; I64-I239 HydrophobicContact CG1-CG2 3.8Å; I64-V240 HydrophobicContact CB-CG2 4.38Å; I64-V240 HydrophobicContact CG2-CG2 4.07Å
65E98.4Very high97.9Very high106 Ų10643.2 Ų43.250%0.49524%0.235SC..Hα-helixtrans-63.2-44.8179.5-70.1174.1176.800111.3A61 Q63 A67 G68 G69 A71A61-E65 WeakPolarHBondContact O-CG 3.13Å; A61-E65 PolarHBondContact O-N 3.32Å; Q63-E65 VanDerWaalsContact C-N 3.35Å; E65-A67 VanDerWaalsContact C-N 3.27Å; E65-A67 PolarHBondContact O-N 3.28Å; E65-G68 PolarHBondContact O-N 3.27Å; E65-G69 WeakPolarHBondContact CA-O 3.39Å; E65-A71 HydrophobicContact CG-CB 4.26Å
66A98.3Very high98.1Very high81 Ų8139.2 Ų39.267%0.66921%0.214SC*.Hα-helixtrans-61.3-33.2175.400000113.1E62 G68E62-A66 WeakPolarHBondContact O-CB 3.22Å; E62-A66 PolarHBondContact O-N 2.74Å; A66-G68 VanDerWaalsContact C-N 3.25Å; A66-G68 PolarHBondContact O-N 2.85Å
67A98.4Very high98.1Very high32 Ų3242.3 Ų42.326%0.26423%0.23SC..THydrogen-bonded Turntrans-81.60.2175.900000113.7Q63 I64 E65 K237 V240Q63-A67 WeakPolarHBondContact O-CB 3.21Å; Q63-A67 PolarHBondContact O-N 3Å; I64-A67 PolarHBondContact O-N 2.89Å; E65-A67 VanDerWaalsContact C-N 3.27Å; E65-A67 PolarHBondContact O-N 3.28Å; A67-K237 HydrophobicContact CB-CG 4.42Å; A67-V240 HydrophobicContact CB-CB 3.94Å; A67-V240 HydrophobicContact CB-CG1 4.27Å; A67-V240 HydrophobicContact CB-CG2 3.8Å; A67-V240 WeakPolarHBondContact O-CG1 3.42Å
68G97.8Very high98.1Very high25 Ų2543.1 Ų43.126%0.25824%0.237SC..THydrogen-bonded Turntrans90.719.717500000114.8I64 E65 A66I64-G68 PolarHBondContact O-N 2.98Å; E65-G68 PolarHBondContact O-N 3.27Å; A66-G68 VanDerWaalsContact C-N 3.25Å; A66-G68 PolarHBondContact O-N 2.85Å
69G98.3Very high98.1Very high1 Ų138.8 Ų38.81%0.0122%0.221CC..  trans-94.4-178.1165.600000112.4I64 E65I64-G69 PolarHBondContact O-N 3.4Å; E65-G69 WeakPolarHBondContact CA-O 3.39Å
70V98.6Very high98Very high5 Ų538.8 Ų38.83%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-118.4118.8168.2175.10000107.6M27 D31 K34 P35 I36 I37M27-V70 HydrophobicContact CE-CG1 4.15Å; M27-V70 HydrophobicContact CE-CG2 4.28Å; M27-V70 HydrophobicContact CG-CG1 4.17Å; M27-V70 HydrophobicContact SD-CG1 4.1Å; D31-V70 HydrophobicContact CB-CG2 3.74Å; K34-V70 HydrophobicContact CB-CG2 3.92Å; K34-V70 HydrophobicContact CD-CG2 4.1Å; P35-V70 PolarHBondContact O-N 3Å; I36-V70 CarbonylContact C-O 3.44Å; I36-V70 WeakPolarHBondContact CA-O 3.42Å; I36-V70 HydrophobicContact CG1-CB 4.33Å; I37-V70 PolarHBondContact N-O 2.89Å
71A98.5Very high97.8Very high6 Ų639.2 Ų39.25%0.0522%0.223CC..EExtended strand (participates in β ladder)trans-89.5137.5178.600000111.5V39 A61 I64 E65V39-A71 HydrophobicContact CG2-CB 4.41Å; A61-A71 VanDerWaalsContact CA-CB 3.45Å; A61-A71 HydrophobicContact CB-CB 3.44Å; A61-A71 VanDerWaalsContact CB-CB 3.44Å; I64-A71 HydrophobicContact CB-CB 4.02Å; I64-A71 HydrophobicContact CD1-CB 4.17Å; I64-A71 HydrophobicContact CG2-CB 3.89Å; E65-A71 HydrophobicContact CG-CB 4.26Å
72K98.1Very high97.5Very high51 Ų5139.7 Ų39.722%0.22223%0.23CC..EExtended strand (participates in β ladder)trans-134.9109167.4-63.3-66.1163-165.90109.7W22 T25 I36 I37 A38 V39W22-K72 HydrophobicContact CH2-CG 4.43Å; W22-K72 HydrophobicContact CZ3-CD 4.1Å; W22-K72 HydrophobicContact CZ3-CG 3.88Å; T25-K72 PolarHBondContact O-NZ 3.44Å; T25-K72 WeakPolarHBondContact OG1-CE 3.48Å; T25-K72 PolarHBondContact OG1-NZ 2.74Å; T25-K72 VanDerWaalsContact OG1-NZ 3.11Å; I36-K72 HydrophobicContact CG2-CG 4.29Å; I37-K72 PolarHBondContact O-N 3.21Å; A38-K72 WeakPolarHBondContact CA-O 3.45Å; V39-K72 PolarHBondContact N-O 3.42Å
73E98.2Very high97.3Very high76 Ų7640.6 Ų40.636%0.35524%0.236SC..EExtended strand (participates in β ladder)trans-79.5138.5177.3-176.3179.2-179.200111.1V39 N41 K58V39-E73 HydrophobicContact CB-CB 4.16Å; V39-E73 HydrophobicContact CB-CG 4.39Å; V39-E73 HydrophobicContact CG1-CG 4.42Å; V39-E73 WeakPolarHBondContact O-CA 3.4Å; N41-E73 HydrophobicContact CB-CG 4.23Å; N41-E73 WeakPolarHBondContact CB-OE1 3.32Å; N41-E73 PolarHBondContact ND2-OE1 3.34Å; K58-E73 PolarHBondContact N-OE2 3.32Å
74F98.1Very high97.1Very high22 Ų2238 Ų3810%0.09623%0.225CC..EExtended strand (participates in β ladder)trans-140.3166.8163.975.3-86.4000109.7A38 V39 V40 N41 V104 M107A38-F74 HydrophobicContact CB-CD1 4.39Å; A38-F74 HydrophobicContact CB-CE1 3.94Å; V39-F74 PolarHBondContact O-N 2.88Å; V40-F74 HydrophobicContact CB-CE1 4.28Å; V40-F74 HydrophobicContact CB-CZ 4.12Å; V40-F74 HydrophobicContact CG1-CE1 4.41Å; V40-F74 HydrophobicContact CG1-CE2 4.05Å; V40-F74 HydrophobicContact CG1-CZ 3.77Å; V40-F74 HydrophobicContact CG2-CE1 3.68Å; V40-F74 HydrophobicContact CG2-CZ 3.66Å; N41-F74 PolarHBondContact N-O 2.92Å; F74-V104 HydrophobicContact CE2-CG2 4.48Å; F74-V104 HydrophobicContact CZ-CB 4.49Å; F74-V104 HydrophobicContact CZ-CG1 4.4Å; F74-V104 HydrophobicContact CZ-CG2 4.36Å; F74-M107 HydrophobicContact CB-CE 3.49Å; F74-M107 VanDerWaalsContact CB-CE 3.49Å; F74-M107 HydrophobicContact CD1-CB 4.22Å; F74-M107 HydrophobicContact CD1-CE 4.19Å; F74-M107 HydrophobicContact CD2-CB 3.9Å; F74-M107 HydrophobicContact CD2-CE 3.99Å; F74-M107 HydrophobicContact CD2-CG 3.58Å; F74-M107 HydrophobicContact CE1-CB 3.89Å; F74-M107 HydrophobicContact CE2-CB 3.57Å; F74-M107 HydrophobicContact CE2-CG 3.59Å; F74-M107 HydrophobicContact CG-CB 4.21Å; F74-M107 HydrophobicContact CG-CE 3.64Å; F74-M107 HydrophobicContact CG-CG 4.14Å; F74-M107 HydrophobicContact CZ-CB 3.56Å; F74-M107 HydrophobicContact CZ-CG 4.13Å
75N96.7Very high96.7Very high83 Ų8338.3 Ų38.344%0.44423%0.227SC..EExtended strand (participates in β ladder)trans-114146.7-179-71.6-90.8000111.7N41N41-N75 CarbonylContact O-C 3.33Å; N41-N75 VanDerWaalsContact O-CA 3.28Å; N41-N75 WeakPolarHBondContact O-CA 3.46Å
76T97.9Very high96.2Very high10 Ų1034.3 Ų34.36%0.06121%0.214CC..  trans-115.3167.8162.2-165.70000110.3V40 N41 I100 S103 M129V40-T76 HydrophobicContact CG1-CG2 4.48Å; N41-T76 PolarHBondContact O-N 3.24Å; T76-I100 HydrophobicContact CG2-CG1 4.36Å; T76-I100 HydrophobicContact CG2-CG2 3.94Å; T76-S103 WeakPolarHBondContact OG1-CB 3.24Å; T76-S103 PolarHBondContact OG1-OG 3.41Å; T76-M129 HydrophobicContact CG2-CE 3.75Å
77I97.3Very high95.8Very high76 Ų7635.1 Ų35.139%0.3920%0.204SC..  trans-70.4161.1-178.963.1155.9000111.9L99 I100I77-L99 HydrophobicContact CD1-CB 4.45Å; I77-L99 HydrophobicContact CD1-CD2 3.59Å; I77-L99 HydrophobicContact CD1-CG 4.13Å; I77-L99 HydrophobicContact CG1-CD2 4.43Å; I77-I100 HydrophobicContact CG1-CD1 4.38Å; I77-I100 HydrophobicContact CG1-CG1 3.79Å; I77-I100 WeakPolarHBondContact O-CD1 3.39Å
78A97.4Very high95.6Very high16 Ų1636 Ų3613%0.13222%0.216CC..  trans-143.1128.5167.600000109.2T44 V47 I125T44-A78 HydrophobicContact CG2-CB 3.83Å; V47-A78 HydrophobicContact CG2-CB 4.07Å; A78-I125 HydrophobicContact CB-CD1 3.8Å; A78-I125 HydrophobicContact CB-CG1 3.6Å
79V97Very high95.5Very high36 Ų3636 Ų3622%0.21822%0.216CC..  trans-102.3136.9173175.80000107.9A84V79-A84 HydrophobicContact CG1-CB 4.43Å
80D96.3Very high95.3Very high27 Ų2736 Ų3614%0.14422%0.216CC..  trans-89.6113.4173.6-167.4-85.9000109.9V47 P48 G82 I83 A84V47-D80 HydrophobicContact CB-CB 4.28Å; V47-D80 HydrophobicContact CG1-CB 4.08Å; V47-D80 WeakPolarHBondContact CG1-OD2 3.47Å; V47-D80 HydrophobicContact CG2-CB 3.93Å; P48-D80 VanDerWaalsContact CD-OD2 3.29Å; P48-D80 WeakPolarHBondContact CD-OD2 3.4Å; D80-G82 VanDerWaalsContact C-N 3.31Å; D80-G82 PolarHBondContact O-N 3.28Å; D80-G82 VanDerWaalsContact OD1-CA 3.27Å; D80-G82 WeakPolarHBondContact OD1-CA 3.43Å; D80-G82 PolarHBondContact OD1-N 3.19Å; D80-I83 HydrophobicContact CB-CB 4.13Å; D80-I83 HydrophobicContact CB-CD1 4.08Å; D80-I83 HydrophobicContact CB-CG1 4.3Å; D80-I83 WeakPolarHBondContact OD1-CG1 3.3Å; D80-I83 PolarHBondContact OD1-N 3.18Å; D80-A84 WeakPolarHBondContact O-CB 3.43Å; D80-A84 PolarHBondContact O-N 3.36Å
81D93.4Very high95.3Very high8 Ų836 Ų364%0.04322%0.216CC..Hα-helixtrans-63.9-35.1177-88.6-63.6000112.4A84 M85 M90 S93 D123 K124D81-A84 PolarHBondContact O-N 3.07Å; D81-M85 PolarHBondContact O-N 2.9Å; D81-M85 VanDerWaalsContact O-N 3.16Å; D81-M90 HydrophobicContact CB-CE 4.39Å; D81-M90 WeakPolarHBondContact O-CE 3.33Å; D81-M90 VanDerWaalsContact OD1-SD 3.35Å; D81-S93 WeakPolarHBondContact OD1-CB 3.24Å; D81-S93 PolarHBondContact OD1-OG 3.24Å; D81-S93 PolarHBondContact OD2-OG 2.94Å; D81-D123 HydrophobicContact CB-CB 4.46Å; D81-D123 WeakPolarHBondContact OD2-CB 3.38Å; D81-D123 VanDerWaalsContact OD2-CG 3.31Å; D81-K124 IonicContact OD1-NZ 2.9Å; D81-K124 IonicContact OD2-NZ 3.48Å; D81-K124 PolarHBondContact OD2-NZ 3.3Å
82G92.1Very high95.2Very high24 Ų2440.3 Ų40.325%0.24723%0.232CC..Hα-helixtrans-66.1-46.4-179.100000112.7D80 M85D80-G82 VanDerWaalsContact C-N 3.31Å; D80-G82 PolarHBondContact O-N 3.28Å; D80-G82 VanDerWaalsContact OD1-CA 3.27Å; D80-G82 WeakPolarHBondContact OD1-CA 3.43Å; D80-G82 PolarHBondContact OD1-N 3.19Å; G82-M85 VanDerWaalsContact O-CB 3.29Å; G82-M85 WeakPolarHBondContact O-CB 3.29Å
83I94.6Very high95.2Very high104 Ų10437.9 Ų37.953%0.53322%0.221SC..Hα-helixtrans-71.8-36.3176.7-65168.2000110.7F46 D80 M85 H87F46-I83 VanDerWaalsContact O-CD1 3.27Å; F46-I83 WeakPolarHBondContact O-CD1 3.4Å; D80-I83 HydrophobicContact CB-CB 4.13Å; D80-I83 HydrophobicContact CB-CD1 4.08Å; D80-I83 HydrophobicContact CB-CG1 4.3Å; D80-I83 WeakPolarHBondContact OD1-CG1 3.3Å; D80-I83 PolarHBondContact OD1-N 3.18Å; I83-M85 PolarHBondContact O-N 3.11Å; I83-H87 PolarHBondContact O-NE2 3.12Å
84A94.7Very high95.2Very high8 Ų834.3 Ų34.37%0.06620%0.204CC..Hα-helixtrans-71.8-14-179.600000113.9V79 D80 D81 H87 M90V79-A84 HydrophobicContact CG1-CB 4.43Å; D80-A84 WeakPolarHBondContact O-CB 3.43Å; D80-A84 PolarHBondContact O-N 3.36Å; D81-A84 PolarHBondContact O-N 3.07Å; A84-H87 PolarHBondContact O-CE1 2.95Å; A84-H87 VanDerWaalsContact O-CE1 3.3Å; A84-H87 PolarHBondContact O-ND1 3.31Å; A84-M90 HydrophobicContact CB-CE 4.06Å; A84-M90 WeakPolarHBondContact O-CB 3.45Å; A84-M90 PolarHBondContact O-N 2.8Å
85M90.8Very high95.2Very high8 Ų834.1 Ų34.14%0.03921%0.205CC..THydrogen-bonded Turntrans-63.9139.7-174.6-16168.26500112.1D81 G82 I83 H87 M90 M168 E491 L493 Y494D81-M85 PolarHBondContact O-N 2.9Å; D81-M85 VanDerWaalsContact O-N 3.16Å; G82-M85 VanDerWaalsContact O-CB 3.29Å; G82-M85 WeakPolarHBondContact O-CB 3.29Å; I83-M85 PolarHBondContact O-N 3.11Å; M85-H87 VanDerWaalsContact C-N 3.35Å; M85-H87 PolarHBondContact O-N 3.09Å; M85-M90 HydrophobicContact CB-CE 4.09Å; M85-M90 HydrophobicContact CE-CE 3.56Å; M85-M90 HydrophobicContact CG-CE 4.5Å; M85-M90 HydrophobicContact SD-CE 3.68Å; M85-M168 HydrophobicContact CG-CE 4.3Å; M85-E491 HydrophobicContact CE-CG 4.5Å; M85-L493 HydrophobicContact CE-CB 3.73Å; M85-L493 HydrophobicContact CE-CD2 4.25Å; M85-L493 HydrophobicContact CG-CB 4.06Å; M85-L493 HydrophobicContact SD-CB 3.53Å; M85-L493 VanDerWaalsContact SD-CB 3.53Å; M85-L493 PolarHBondContact SD-N 2.87Å; M85-Y494 HydrophobicContact CB-CE1 4.04Å; M85-Y494 HydrophobicContact CG-CD1 3.63Å; M85-Y494 HydrophobicContact CG-CE1 3.42Å; M85-Y494 VanDerWaalsContact CG-CE1 3.42Å; M85-Y494 PolarHBondContact O-OH 2.96Å
86G87.1Confident95.2Very high22 Ų2230.4 Ų30.423%0.22719%0.186CC..THydrogen-bonded Turntrans83.13.8172.500000116.1
87H91.2Very high95.3Very high98 Ų9829.9 Ų29.945%0.45418%0.183SC..SBendtrans-149.2174.317763.437.9000111.8I83 A84 M85 G89 M90I83-H87 PolarHBondContact O-NE2 3.12Å; A84-H87 PolarHBondContact O-CE1 2.95Å; A84-H87 VanDerWaalsContact O-CE1 3.3Å; A84-H87 PolarHBondContact O-ND1 3.31Å; M85-H87 VanDerWaalsContact C-N 3.35Å; M85-H87 PolarHBondContact O-N 3.09Å; H87-G89 PolarHBondContact ND1-N 3.42Å; H87-G89 VanDerWaalsContact ND1-N 3.13Å; H87-G89 PolarHBondContact O-N 3.43Å; H87-M90 PolarHBondContact O-N 3.27Å
88G92.8Very high95.3Very high49 Ų4926.4 Ų26.451%0.50517%0.165SC..G310 helixtrans-57.4-15.3-174.600000116.6M90 L91G88-M90 VanDerWaalsContact C-N 3.26Å; G88-M90 PolarHBondContact O-N 2.97Å; G88-L91 WeakPolarHBondContact O-CB 3.12Å; G88-L91 WeakPolarHBondContact O-CG 3.31Å; G88-L91 PolarHBondContact O-N 3.03Å
89G95.4Very high95.3Very high27 Ų2730 Ų3028%0.27818%0.181SC..G310 helixtrans-58.9-31.3170.800000114.1H87 L91 Y92H87-G89 PolarHBondContact ND1-N 3.42Å; H87-G89 VanDerWaalsContact ND1-N 3.13Å; H87-G89 PolarHBondContact O-N 3.43Å; G89-L91 PolarHBondContact O-N 2.93Å; G89-L91 VanDerWaalsContact O-N 3.15Å; G89-Y92 WeakPolarHBondContact O-CB 3.45Å; G89-Y92 PolarHBondContact O-N 3.44Å
90M95.9Very high95.4Very high0 Ų028.3 Ų28.30%017%0.171CC..G310 helixtrans-62.9-23.9-179.1-173.551.569.500113.2D81 A84 M85 H87 G88 Y92 S93 Q490 E491D81-M90 HydrophobicContact CB-CE 4.39Å; D81-M90 WeakPolarHBondContact O-CE 3.33Å; D81-M90 VanDerWaalsContact OD1-SD 3.35Å; A84-M90 HydrophobicContact CB-CE 4.06Å; A84-M90 WeakPolarHBondContact O-CB 3.45Å; A84-M90 PolarHBondContact O-N 2.8Å; M85-M90 HydrophobicContact CB-CE 4.09Å; M85-M90 HydrophobicContact CE-CE 3.56Å; M85-M90 HydrophobicContact CG-CE 4.5Å; M85-M90 HydrophobicContact SD-CE 3.68Å; H87-M90 PolarHBondContact O-N 3.27Å; G88-M90 VanDerWaalsContact C-N 3.26Å; G88-M90 PolarHBondContact O-N 2.97Å; M90-Y92 PolarHBondContact O-N 3.1Å; M90-Y92 VanDerWaalsContact O-N 3.12Å; M90-S93 WeakPolarHBondContact O-CB 3.33Å; M90-S93 PolarHBondContact O-N 2.97Å; M90-S93 VanDerWaalsContact O-N 3.15Å; M90-Q490 HydrophobicContact CB-CB 4.48Å; M90-Q490 HydrophobicContact CG-CB 3.86Å; M90-E491 HydrophobicContact CE-CB 4.39Å; M90-E491 HydrophobicContact CG-CB 4.42Å; M90-E491 WeakPolarHBondContact CG-O 3.47Å; M90-E491 HydrophobicContact SD-CB 3.73Å
91L96.9Very high95.5Very high5 Ų527 Ų273%0.02616%0.164CC..G310 helixtrans-60.4-22.4174.5-55.6176000112.5G88 G89 P95 Q490 R587 L593G88-L91 WeakPolarHBondContact O-CB 3.12Å; G88-L91 WeakPolarHBondContact O-CG 3.31Å; G88-L91 PolarHBondContact O-N 3.03Å; G89-L91 PolarHBondContact O-N 2.93Å; G89-L91 VanDerWaalsContact O-N 3.15Å; L91-P95 WeakPolarHBondContact O-CD 3.38Å; L91-P95 WeakPolarHBondContact O-CG 3.31Å; L91-Q490 HydrophobicContact CD2-CB 4.17Å; L91-R587 HydrophobicContact CD1-CG 4.04Å; L91-L593 HydrophobicContact CB-CD1 3.86Å; L91-L593 HydrophobicContact CB-CD2 4.21Å; L91-L593 HydrophobicContact CD1-CD1 4.15Å; L91-L593 WeakPolarHBondContact O-CD2 3.37Å
92Y97.5Very high95.7Very high97 Ų9727.7 Ų27.738%0.3817%0.168SC..G310 helixtrans-94.7-7.3-178-62.9-91.6000113.6G89 M90 S96 S590 L593G89-Y92 WeakPolarHBondContact O-CB 3.45Å; G89-Y92 PolarHBondContact O-N 3.44Å; M90-Y92 PolarHBondContact O-N 3.1Å; M90-Y92 VanDerWaalsContact O-N 3.12Å; Y92-S96 WeakPolarHBondContact O-CB 3.48Å; Y92-S96 PolarHBondContact O-N 3.22Å; Y92-S96 VanDerWaalsContact O-N 3.15Å; Y92-S590 WeakPolarHBondContact OH-CB 3.46Å; Y92-S590 PolarHBondContact OH-OG 3.45Å; Y92-L593 HydrophobicContact CD1-CD2 3.96Å; Y92-L593 HydrophobicContact CD1-CG 4.19Å; Y92-L593 HydrophobicContact CE1-CD1 4.01Å; Y92-L593 HydrophobicContact CE1-CD2 4.01Å; Y92-L593 HydrophobicContact CE1-CG 3.71Å; Y92-L593 HydrophobicContact CE2-CD1 3.9Å; Y92-L593 HydrophobicContact CE2-CG 4.47Å; Y92-L593 HydrophobicContact CG-CD2 4.31Å
93S97.3Very high96Very high0 Ų028.4 Ų28.40%017%0.169CC..Hα-helixtrans-63.2-69.6-177.2165.50000112.3D81 M90 S96 K124D81-S93 WeakPolarHBondContact OD1-CB 3.24Å; D81-S93 PolarHBondContact OD1-OG 3.24Å; D81-S93 PolarHBondContact OD2-OG 2.94Å; M90-S93 WeakPolarHBondContact O-CB 3.33Å; M90-S93 PolarHBondContact O-N 2.97Å; M90-S93 VanDerWaalsContact O-N 3.15Å; S93-S96 VanDerWaalsContact O-CB 3.25Å; S93-S96 WeakPolarHBondContact O-CB 3.31Å; S93-S96 PolarHBondContact O-N 2.93Å; S93-S96 PolarHBondContact O-OG 2.91Å; S93-K124 WeakPolarHBondContact OG-CE 3.42Å; S93-K124 WeakPolarHBondContact OG-CG 3.4Å; S93-K124 PolarHBondContact OG-NZ 2.99Å
94L98.1Very high96.2Very high0 Ų023.4 Ų23.40%014%0.143CC..Hα-helixtrans-61.1-40.5-178.4-178.867.1000112.6S96 R97 K124 L283 G488 M489 Y596 A607L94-S96 PolarHBondContact O-N 3.15Å; L94-S96 VanDerWaalsContact O-N 3.15Å; L94-R97 HydrophobicContact CD1-CB 4.49Å; L94-R97 WeakPolarHBondContact O-CB 3.48Å; L94-R97 PolarHBondContact O-N 2.78Å; L94-K124 HydrophobicContact CD1-CD 4.24Å; L94-L283 HydrophobicContact CD1-CD2 3.71Å; L94-L283 HydrophobicContact CD2-CD2 3.76Å; L94-L283 HydrophobicContact CG-CD2 4.41Å; L94-G488 VanDerWaalsContact CB-O 3.31Å; L94-G488 WeakPolarHBondContact CB-O 3.32Å; L94-M489 HydrophobicContact CD2-CB 3.55Å; L94-M489 HydrophobicContact CD2-CG 4.43Å; L94-M489 HydrophobicContact CD2-SD 4.13Å; L94-Y596 VanDerWaalsContact CD2-OH 3.3Å; L94-Y596 WeakPolarHBondContact CD2-OH 3.47Å; L94-A607 HydrophobicContact CD2-CB 4.24Å
95P98.1Very high96.4Very high18 Ų1825.7 Ų25.712%0.11715%0.153CC..Hα-helixtrans-56.6-28.6173.6-2937.8000114.3L91 R97 E98 L99 L593 Y596L91-P95 WeakPolarHBondContact O-CD 3.38Å; L91-P95 WeakPolarHBondContact O-CG 3.31Å; P95-R97 PolarHBondContact O-N 2.9Å; P95-E98 PolarHBondContact O-N 2.84Å; P95-L99 PolarHBondContact O-N 2.97Å; P95-L593 HydrophobicContact CG-CD2 4.18Å; P95-Y596 HydrophobicContact CB-CD1 4.47Å; P95-Y596 HydrophobicContact CB-CD2 3.7Å; P95-Y596 HydrophobicContact CB-CE2 4.17Å; P95-Y596 HydrophobicContact CB-CG 3.86Å; P95-Y596 HydrophobicContact CG-CD1 3.83Å; P95-Y596 HydrophobicContact CG-CD2 3.86Å; P95-Y596 HydrophobicContact CG-CE1 4.06Å; P95-Y596 HydrophobicContact CG-CE2 4.08Å; P95-Y596 HydrophobicContact CG-CG 3.73Å
96S98.1Very high96.8Very high5 Ų533.4 Ų33.44%0.03518%0.182CC..Hα-helixtrans-61.3-28.6174.879.40000112.5Y92 S93 L94 E98 L99 I100Y92-S96 WeakPolarHBondContact O-CB 3.48Å; Y92-S96 PolarHBondContact O-N 3.22Å; Y92-S96 VanDerWaalsContact O-N 3.15Å; S93-S96 VanDerWaalsContact O-CB 3.25Å; S93-S96 WeakPolarHBondContact O-CB 3.31Å; S93-S96 PolarHBondContact O-N 2.93Å; S93-S96 PolarHBondContact O-OG 2.91Å; L94-S96 PolarHBondContact O-N 3.15Å; L94-S96 VanDerWaalsContact O-N 3.15Å; S96-E98 PolarHBondContact O-N 3.14Å; S96-L99 PolarHBondContact O-N 2.81Å; S96-I100 WeakPolarHBondContact O-CB 3.49Å; S96-I100 WeakPolarHBondContact O-CD1 3.45Å; S96-I100 WeakPolarHBondContact O-CG1 3.34Å; S96-I100 PolarHBondContact O-N 3.46Å
97R98.5Very high97.3Very high0 Ų035.5 Ų35.50%019%0.187CC..Hα-helixtrans-56.3-48.1174.4-172.5-169.370.2-177.68.5111.5L94 P95 I100 A101 K124 P127 G128 M131 G606 A607L94-R97 HydrophobicContact CD1-CB 4.49Å; L94-R97 WeakPolarHBondContact O-CB 3.48Å; L94-R97 PolarHBondContact O-N 2.78Å; P95-R97 PolarHBondContact O-N 2.9Å; R97-I100 PolarHBondContact O-N 2.76Å; R97-A101 PolarHBondContact O-N 3Å; R97-K124 HydrophobicContact CB-CB 4.33Å; R97-P127 HydrophobicContact CG-CB 4.34Å; R97-P127 HydrophobicContact CG-CG 4.37Å; R97-G128 WeakPolarHBondContact O-CA 3.49Å; R97-M131 VanDerWaalsContact CD-SD 3.6Å; R97-M131 HydrophobicContact CG-SD 3.83Å; R97-M131 PolarHBondContact NE-SD 2.98Å; R97-M131 VanDerWaalsContact NE-SD 3.38Å; R97-G606 VanDerWaalsContact CZ-O 3.3Å; R97-G606 PolarHBondContact NH1-O 2.88Å; R97-G606 PolarHBondContact NH2-O 3.29Å; R97-A607 PolarHBondContact NH2-O 3.44Å; R97-A607 VanDerWaalsContact NH2-O 3.08Å
98E97.9Very high97.7Very high2 Ų230.8 Ų30.81%0.00917%0.165CC..Hα-helixtrans-67.5-41179.1-58-52.3121.200111.5P95 S96 I100 A101 D102 M131 R135 Y596P95-E98 PolarHBondContact O-N 2.84Å; S96-E98 PolarHBondContact O-N 3.14Å; E98-I100 VanDerWaalsContact C-N 3.32Å; E98-I100 PolarHBondContact O-N 3.45Å; E98-A101 PolarHBondContact O-N 2.67Å; E98-D102 PolarHBondContact O-N 3.15Å; E98-M131 WeakPolarHBondContact OE1-CE 3.48Å; E98-M131 WeakPolarHBondContact OE2-CE 3.34Å; E98-R135 IonicContact OE2-NH2 3.46Å; E98-R135 PolarHBondContact OE2-NH2 2.92Å; E98-Y596 HydrophobicContact CG-CD2 4.24Å; E98-Y596 HydrophobicContact CG-CE2 3.97Å
99L97.7Very high97.9Very high92 Ų9231.5 Ų31.548%0.48216%0.157SC..Hα-helixtrans-65.3-37.6178-177.457.6000111.8I77 P95 S96 S103I77-L99 HydrophobicContact CD1-CB 4.45Å; I77-L99 HydrophobicContact CD1-CD2 3.59Å; I77-L99 HydrophobicContact CD1-CG 4.13Å; I77-L99 HydrophobicContact CG1-CD2 4.43Å; P95-L99 PolarHBondContact O-N 2.97Å; S96-L99 PolarHBondContact O-N 2.81Å; L99-S103 WeakPolarHBondContact O-CB 3.29Å; L99-S103 PolarHBondContact O-N 2.9Å
100I98.7Very high98.1Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-65-47.3173.9-71.4164.5000109.9T76 I77 S96 R97 E98 D102 S103 V104 I125 M129T76-I100 HydrophobicContact CG2-CG1 4.36Å; T76-I100 HydrophobicContact CG2-CG2 3.94Å; I77-I100 HydrophobicContact CG1-CD1 4.38Å; I77-I100 HydrophobicContact CG1-CG1 3.79Å; I77-I100 WeakPolarHBondContact O-CD1 3.39Å; S96-I100 WeakPolarHBondContact O-CB 3.49Å; S96-I100 WeakPolarHBondContact O-CD1 3.45Å; S96-I100 WeakPolarHBondContact O-CG1 3.34Å; S96-I100 PolarHBondContact O-N 3.46Å; R97-I100 PolarHBondContact O-N 2.76Å; E98-I100 VanDerWaalsContact C-N 3.32Å; E98-I100 PolarHBondContact O-N 3.45Å; I100-D102 VanDerWaalsContact C-N 3.31Å; I100-D102 PolarHBondContact O-N 3.12Å; I100-S103 PolarHBondContact O-N 2.83Å; I100-V104 WeakPolarHBondContact O-CG2 3.25Å; I100-V104 PolarHBondContact O-N 2.85Å; I100-I125 HydrophobicContact CD1-CB 4.26Å; I100-I125 HydrophobicContact CD1-CD1 4.37Å; I100-I125 HydrophobicContact CD1-CG1 3.84Å; I100-M129 HydrophobicContact CG2-CG 4.1Å
101A98.7Very high98.1Very high0 Ų037.7 Ų37.70%019%0.192CC..Hα-helixtrans-56.8-47.1179.400000111.3R97 E98 E105 G128 M131 A132R97-A101 PolarHBondContact O-N 3Å; E98-A101 PolarHBondContact O-N 2.67Å; A101-E105 WeakPolarHBondContact O-CB 3.31Å; A101-E105 PolarHBondContact O-N 3.32Å; A101-G128 WeakPolarHBondContact CA-O 3.03Å; A101-G128 WeakPolarHBondContact CB-O 3.3Å; A101-M131 HydrophobicContact CB-CB 4Å; A101-A132 WeakPolarHBondContact O-CB 3.45Å
102D97.9Very high98.2Very high23 Ų2338.5 Ų38.512%0.12320%0.197CC..Hα-helixtrans-64.4-45.9176-73.98.1000113.4E98 I100 V104 E105 Y106 R135 R609E98-D102 PolarHBondContact O-N 3.15Å; I100-D102 VanDerWaalsContact C-N 3.31Å; I100-D102 PolarHBondContact O-N 3.12Å; D102-V104 PolarHBondContact O-N 2.89Å; D102-E105 PolarHBondContact O-N 3.3Å; D102-E105 VanDerWaalsContact O-N 3.1Å; D102-Y106 HydrophobicContact CB-CD2 4.5Å; D102-Y106 WeakPolarHBondContact O-CB 3.1Å; D102-Y106 WeakPolarHBondContact O-CD2 3.32Å; D102-Y106 PolarHBondContact O-N 3.3Å; D102-R135 IonicContact OD1-NH1 2.75Å; D102-R135 PolarHBondContact OD1-NH1 3.15Å; D102-R609 IonicContact OD1-CZ 3.63Å; D102-R609 IonicContact OD1-NH1 2.79Å; D102-R609 PolarHBondContact OD1-NH1 3.05Å; D102-R609 IonicContact OD1-NH2 3.44Å; D102-R609 IonicContact OD2-CZ 3.53Å; D102-R609 IonicContact OD2-NH1 3.76Å; D102-R609 PolarHBondContact OD2-NH1 3.26Å; D102-R609 IonicContact OD2-NH2 3.65Å; D102-R609 PolarHBondContact OD2-NH2 3.13Å
103S98.5Very high98.3Very high38 Ų3834 Ų3427%0.26618%0.18SC..Hα-helixtrans-56.2-44.5-178.5177.50000110.6T76 L99 I100 M107T76-S103 WeakPolarHBondContact OG1-CB 3.24Å; T76-S103 PolarHBondContact OG1-OG 3.41Å; L99-S103 WeakPolarHBondContact O-CB 3.29Å; L99-S103 PolarHBondContact O-N 2.9Å; I100-S103 PolarHBondContact O-N 2.83Å; S103-M107 WeakPolarHBondContact O-CB 3.49Å; S103-M107 VanDerWaalsContact O-CG 3.32Å; S103-M107 WeakPolarHBondContact O-CG 3.36Å; S103-M107 PolarHBondContact O-N 3.09Å; S103-M107 VanDerWaalsContact O-N 3.09Å
104V98.9Very high98.3Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-65.1-46.7175.5177.30000111.1V40 F74 I100 D102 Y106 M107 V108 M116 M129 A132 L136V40-V104 HydrophobicContact CG1-CG1 4.48Å; V40-V104 HydrophobicContact CG1-CG2 3.53Å; V40-V104 HydrophobicContact CG2-CG1 4.18Å; F74-V104 HydrophobicContact CE2-CG2 4.48Å; F74-V104 HydrophobicContact CZ-CB 4.49Å; F74-V104 HydrophobicContact CZ-CG1 4.4Å; F74-V104 HydrophobicContact CZ-CG2 4.36Å; I100-V104 WeakPolarHBondContact O-CG2 3.25Å; I100-V104 PolarHBondContact O-N 2.85Å; D102-V104 PolarHBondContact O-N 2.89Å; V104-Y106 PolarHBondContact O-N 2.82Å; V104-M107 PolarHBondContact O-N 3.39Å; V104-V108 HydrophobicContact CG1-CG2 4.22Å; V104-V108 WeakPolarHBondContact O-CB 3.16Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 3.26Å; V104-M116 HydrophobicContact CG1-SD 3.94Å; V104-M129 HydrophobicContact CG2-CG 4.48Å; V104-A132 HydrophobicContact CB-CB 3.62Å; V104-A132 HydrophobicContact CG1-CB 3.6Å; V104-A132 HydrophobicContact CG2-CB 4.45Å; V104-L136 HydrophobicContact CG1-CD1 4.22Å
105E98.6Very high98.4Very high56 Ų5634 Ų3426%0.26218%0.18SC..Hα-helixtrans-58.4-46.1178.8-175.6174.6-178.800112.5A101 D102 N109 R135 L136A101-E105 WeakPolarHBondContact O-CB 3.31Å; A101-E105 PolarHBondContact O-N 3.32Å; D102-E105 PolarHBondContact O-N 3.3Å; D102-E105 VanDerWaalsContact O-N 3.1Å; E105-N109 WeakPolarHBondContact CG-ND2 3.41Å; E105-N109 VanDerWaalsContact O-CB 3.26Å; E105-N109 WeakPolarHBondContact O-CB 3.43Å; E105-N109 PolarHBondContact O-N 3.03Å; E105-N109 PolarHBondContact O-ND2 3.16Å; E105-R135 WeakPolarHBondContact OE2-CD 3.44Å; E105-R135 IonicContact OE2-NH1 3.95Å; E105-L136 HydrophobicContact CG-CD2 4.07Å; E105-L136 HydrophobicContact CG-CG 4.5Å
106Y98.5Very high98.4Very high170 Ų17033.1 Ų33.167%0.66718%0.175SC*.Hα-helixtrans-61.3-49.5177.8-88.5-119.1000111.1D102 V104 V108 A110D102-Y106 HydrophobicContact CB-CD2 4.5Å; D102-Y106 WeakPolarHBondContact O-CB 3.1Å; D102-Y106 WeakPolarHBondContact O-CD2 3.32Å; D102-Y106 PolarHBondContact O-N 3.3Å; V104-Y106 PolarHBondContact O-N 2.82Å; Y106-V108 PolarHBondContact O-N 3.1Å; Y106-A110 WeakPolarHBondContact O-CB 3.12Å; Y106-A110 PolarHBondContact O-N 2.85Å
107M98.4Very high98.4Very high65 Ų6532.9 Ų32.932%0.3217%0.173SC..Hα-helixtrans-63.1-44.8-178.3-74.8-64.8-65.400111.8F74 S103 V104 H111F74-M107 HydrophobicContact CB-CE 3.49Å; F74-M107 VanDerWaalsContact CB-CE 3.49Å; F74-M107 HydrophobicContact CD1-CB 4.22Å; F74-M107 HydrophobicContact CD1-CE 4.19Å; F74-M107 HydrophobicContact CD2-CB 3.9Å; F74-M107 HydrophobicContact CD2-CE 3.99Å; F74-M107 HydrophobicContact CD2-CG 3.58Å; F74-M107 HydrophobicContact CE1-CB 3.89Å; F74-M107 HydrophobicContact CE2-CB 3.57Å; F74-M107 HydrophobicContact CE2-CG 3.59Å; F74-M107 HydrophobicContact CG-CB 4.21Å; F74-M107 HydrophobicContact CG-CE 3.64Å; F74-M107 HydrophobicContact CG-CG 4.14Å; F74-M107 HydrophobicContact CZ-CB 3.56Å; F74-M107 HydrophobicContact CZ-CG 4.13Å; S103-M107 WeakPolarHBondContact O-CB 3.49Å; S103-M107 VanDerWaalsContact O-CG 3.32Å; S103-M107 WeakPolarHBondContact O-CG 3.36Å; S103-M107 PolarHBondContact O-N 3.09Å; S103-M107 VanDerWaalsContact O-N 3.09Å; V104-M107 PolarHBondContact O-N 3.39Å; M107-H111 WeakPolarHBondContact O-CB 3.41Å; M107-H111 PolarHBondContact O-N 3.05Å; M107-H111 PolarHBondContact O-ND1 2.8Å
108V98.8Very high98.5Very high0 Ų032.9 Ų32.90%017%0.173CC..Hα-helixtrans-68.4-48.6-179.41700000111.6A38 V104 Y106 C112 A113 M116 L136 I138A38-V108 HydrophobicContact CB-CG2 4.36Å; V104-V108 HydrophobicContact CG1-CG2 4.22Å; V104-V108 WeakPolarHBondContact O-CB 3.16Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 3.26Å; Y106-V108 PolarHBondContact O-N 3.1Å; V108-C112 WeakPolarHBondContact O-CA 3.34Å; V108-C112 PolarHBondContact O-N 3.48Å; V108-A113 HydrophobicContact CG1-CB 4.3Å; V108-A113 PolarHBondContact O-N 3.5Å; V108-A113 VanDerWaalsContact O-N 3.07Å; V108-M116 HydrophobicContact CG2-SD 4.05Å; V108-L136 HydrophobicContact CB-CD1 3.78Å; V108-L136 HydrophobicContact CB-CD2 4.14Å; V108-L136 HydrophobicContact CG1-CD1 3.81Å; V108-L136 HydrophobicContact CG1-CD2 3.83Å; V108-L136 HydrophobicContact CG1-CG 4.39Å; V108-L136 HydrophobicContact CG2-CD1 3.92Å; V108-I138 HydrophobicContact CG1-CD1 3.51Å
109N98.6Very high98.5Very high63 Ų6332.8 Ų32.834%0.33717%0.173SC..Hα-helixtrans-69.1-44.2-177.5-76.2-28.9000112R5 E105 H111 C112 L136R5-N109 PolarHBondContact NH2-OD1 3.19Å; E105-N109 WeakPolarHBondContact CG-ND2 3.41Å; E105-N109 VanDerWaalsContact O-CB 3.26Å; E105-N109 WeakPolarHBondContact O-CB 3.43Å; E105-N109 PolarHBondContact O-N 3.03Å; E105-N109 PolarHBondContact O-ND2 3.16Å; N109-H111 VanDerWaalsContact C-N 3.3Å; N109-H111 PolarHBondContact O-N 3.2Å; N109-C112 PolarHBondContact O-N 2.91Å; N109-C112 VanDerWaalsContact O-N 3.17Å; N109-C112 PolarHBondContact O-SG 3.27Å; N109-L136 VanDerWaalsContact OD1-CD2 3.24Å; N109-L136 WeakPolarHBondContact OD1-CD2 3.41Å
110A98.1Very high98.5Very high75 Ų7528.5 Ų28.562%0.6215%0.15SC*.Hα-helixtrans-63.4-35.9-178.600000112.6Y106Y106-A110 WeakPolarHBondContact O-CB 3.12Å; Y106-A110 PolarHBondContact O-N 2.85Å
111H97.5Very high98.3Very high82 Ų8228.5 Ų28.538%0.3815%0.15SC..Hα-helixtrans-93.8-3.9178.3-60.287.1000113.3W22 M107 N109 A113W22-H111 HydrophobicContact CH2-CB 4.33Å; W22-H111 HydrophobicContact CZ2-CB 4.38Å; M107-H111 WeakPolarHBondContact O-CB 3.41Å; M107-H111 PolarHBondContact O-N 3.05Å; M107-H111 PolarHBondContact O-ND1 2.8Å; N109-H111 VanDerWaalsContact C-N 3.3Å; N109-H111 PolarHBondContact O-N 3.2Å; H111-A113 VanDerWaalsContact C-N 3.31Å; H111-A113 PolarHBondContact O-N 3.31Å
112C98.1Very high98Very high22 Ų2228.9 Ų28.915%0.14915%0.153CC..THydrogen-bonded Turntrans53.344.4-177.5-59.70000112.7R5 S6 T9 V108 N109R5-C112 CarbonylContact C-O 3.58Å; R5-C112 HydrophobicContact CB-CB 4.35Å; R5-C112 WeakPolarHBondContact CB-O 3.49Å; R5-C112 WeakPolarHBondContact O-CB 3.34Å; S6-C112 WeakPolarHBondContact CA-O 3.45Å; S6-C112 PolarHBondContact N-O 2.84Å; T9-C112 HydrophobicContact CG2-CB 4.33Å; V108-C112 WeakPolarHBondContact O-CA 3.34Å; V108-C112 PolarHBondContact O-N 3.48Å; N109-C112 PolarHBondContact O-N 2.91Å; N109-C112 VanDerWaalsContact O-N 3.17Å; N109-C112 PolarHBondContact O-SG 3.27Å
113A98.7Very high97.8Very high3 Ų328.2 Ų28.23%0.02515%0.149CC..  trans-63.2145.8176.900000111.1R5 A38 V108 H111R5-A113 WeakPolarHBondContact CD-O 3.27Å; A38-A113 HydrophobicContact CB-CB 3.95Å; V108-A113 HydrophobicContact CG1-CB 4.3Å; V108-A113 PolarHBondContact O-N 3.5Å; V108-A113 VanDerWaalsContact O-N 3.07Å; H111-A113 VanDerWaalsContact C-N 3.31Å; H111-A113 PolarHBondContact O-N 3.31Å
114D98.9Very high97.8Very high0 Ų026.5 Ų26.50%014%0.137CC..SBendtrans-84.3-30.5-173.6-63-54.1000112.7Y4 R5 S6 P35 I36 T243 Y247Y4-D114 VanDerWaalsContact C-OD1 3.27Å; Y4-D114 WeakPolarHBondContact CA-OD1 3.14Å; Y4-D114 WeakPolarHBondContact CB-OD1 3.3Å; Y4-D114 HydrophobicContact CD1-CB 4.2Å; R5-D114 WeakPolarHBondContact CA-OD1 3.39Å; R5-D114 PolarHBondContact N-OD1 2.8Å; S6-D114 WeakPolarHBondContact CB-OD2 3.3Å; S6-D114 PolarHBondContact N-OD1 3.02Å; S6-D114 PolarHBondContact OG-OD1 3.18Å; S6-D114 PolarHBondContact OG-OD2 3.04Å; P35-D114 VanDerWaalsContact CA-OD2 3.28Å; P35-D114 WeakPolarHBondContact CA-OD2 3.48Å; P35-D114 HydrophobicContact CB-CB 4.23Å; I36-D114 PolarHBondContact N-OD2 2.93Å; I36-D114 WeakPolarHBondContact O-CB 3.37Å; I36-D114 PolarHBondContact O-N 3.12Å; D114-T243 HydrophobicContact CB-CG2 4.12Å; D114-Y247 HydrophobicContact CB-CE2 3.97Å; D114-Y247 VanDerWaalsContact O-CE2 3.31Å; D114-Y247 WeakPolarHBondContact O-CE2 2.97Å; D114-Y247 PolarHBondContact O-OH 3.02Å
115A98.9Very high97.7Very high0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-157.8174.4-177.600000110.5I37 A38 P139 I239 T243I37-A115 WeakPolarHBondContact CA-O 3.07Å; I37-A115 HydrophobicContact CG1-CB 4.38Å; I37-A115 HydrophobicContact CG2-CB 4.42Å; A38-A115 PolarHBondContact N-O 3.3Å; A115-P139 CarbonylContact C-O 3.57Å; A115-P139 VanDerWaalsContact CA-O 3.24Å; A115-P139 WeakPolarHBondContact CA-O 3.4Å; A115-P139 HydrophobicContact CB-CB 3.95Å; A115-P139 VanDerWaalsContact CB-O 3.28Å; A115-P139 WeakPolarHBondContact CB-O 3.23Å; A115-I239 HydrophobicContact CB-CD1 4.04Å; A115-I239 HydrophobicContact CB-CG1 4.08Å; A115-T243 HydrophobicContact CB-CG2 4.09Å; A115-T243 WeakPolarHBondContact CB-OG1 3.49Å
116M98.8Very high97.7Very high0 Ų023.8 Ų23.80%013%0.125CC..EExtended strand (participates in β ladder)trans-148.2149.9177.159.1-174.3-179.400115.6A38 V40 V104 V108 L136 P139 V140 I141 I239A38-M116 HydrophobicContact CB-CB 4.2Å; A38-M116 CarbonylContact O-C 3.09Å; A38-M116 WeakPolarHBondContact O-CA 3.43Å; A38-M116 WeakPolarHBondContact O-CB 3.44Å; V40-M116 HydrophobicContact CG2-CB 4.16Å; V40-M116 HydrophobicContact CG2-SD 4.3Å; V104-M116 HydrophobicContact CG1-SD 3.94Å; V108-M116 HydrophobicContact CG2-SD 4.05Å; M116-L136 HydrophobicContact CE-CD1 3.96Å; M116-L136 HydrophobicContact SD-CD1 4.06Å; M116-P139 PolarHBondContact N-O 3.46Å; M116-V140 HydrophobicContact CE-CB 4.27Å; M116-V140 HydrophobicContact CE-CG2 4Å; M116-V140 HydrophobicContact CG-CB 4.14Å; M116-V140 HydrophobicContact CG-CG2 3.87Å; M116-V140 VanDerWaalsContact O-CA 3.28Å; M116-V140 WeakPolarHBondContact O-CA 3.38Å; M116-I141 PolarHBondContact O-N 3.36Å; M116-I239 VanDerWaalsContact O-CD1 3.32Å; M116-I239 WeakPolarHBondContact O-CD1 3.49Å
117V98.9Very high97.7Very high0 Ų015.8 Ų15.80%09%0.093CC..EExtended strand (participates in β ladder)trans-105.5122.7165.2-176.80000108.3I37 A38 V40 V60 I64 I119 I141 V143 A235 I239I37-V117 HydrophobicContact CG2-CG2 4.35Å; A38-V117 PolarHBondContact O-N 3.3Å; V40-V117 PolarHBondContact N-O 2.92Å; V60-V117 HydrophobicContact CG1-CB 4.02Å; V60-V117 HydrophobicContact CG1-CG1 3.89Å; V60-V117 HydrophobicContact CG1-CG2 3.87Å; I64-V117 HydrophobicContact CD1-CG2 4.09Å; V117-I119 HydrophobicContact CG1-CG1 4.31Å; V117-I141 WeakPolarHBondContact CA-O 3.27Å; V117-I141 HydrophobicContact CB-CG2 4.39Å; V117-I141 HydrophobicContact CG1-CG2 4.15Å; V117-I141 HydrophobicContact CG2-CG2 3.92Å; V117-V143 HydrophobicContact CG1-CG1 3.83Å; V117-A235 HydrophobicContact CG1-CB 4.33Å; V117-I239 HydrophobicContact CG2-CB 3.84Å; V117-I239 HydrophobicContact CG2-CG1 3.97Å; V117-I239 HydrophobicContact CG2-CG2 3.54Å
118C98.9Very high97.7Very high0 Ų012.7 Ų12.70%08%0.078CC..EExtended strand (participates in β ladder)trans-95.6109178-67.30000109.9M129 I141 F142 V143C118-M129 HydrophobicContact CB-CB 4.21Å; C118-M129 HydrophobicContact CB-SD 3.67Å; C118-I141 PolarHBondContact N-O 3.19Å; C118-F142 HydrophobicContact CB-CD1 3.55Å; C118-F142 HydrophobicContact CB-CD2 4.16Å; C118-F142 HydrophobicContact CB-CE1 3.51Å; C118-F142 HydrophobicContact CB-CE2 4.12Å; C118-F142 HydrophobicContact CB-CG 3.86Å; C118-F142 HydrophobicContact CB-CZ 3.77Å; C118-V143 PolarHBondContact O-N 3.43Å
119I98.7Very high97.7Very high0 Ų012.7 Ų12.70%08%0.078CC..EExtended strand (participates in β ladder)trans-9791.7173.3-52.4176.8000108.5V39 V40 S42 L53 V60 V117 M129 V143 F232V39-I119 HydrophobicContact CG1-CD1 3.7Å; V39-I119 HydrophobicContact CG1-CG1 4.42Å; V40-I119 PolarHBondContact O-N 2.67Å; S42-I119 PolarHBondContact OG-O 2.79Å; L53-I119 HydrophobicContact CD1-CG2 4.22Å; L53-I119 HydrophobicContact CD2-CG2 4.11Å; V60-I119 HydrophobicContact CB-CD1 4.49Å; V60-I119 HydrophobicContact CG2-CD1 4.03Å; V117-I119 HydrophobicContact CG1-CG1 4.31Å; I119-M129 WeakPolarHBondContact O-CE 3.35Å; I119-V143 WeakPolarHBondContact CA-O 3.5Å; I119-V143 HydrophobicContact CG1-CG1 3.99Å; I119-F232 HydrophobicContact CD1-CE1 4.45Å; I119-F232 HydrophobicContact CG1-CE1 4.45Å; I119-F232 HydrophobicContact CG2-CE1 3.86Å
120S96.9Very high97.8Very high1 Ų19.7 Ų9.71%0.0076%0.062CC..EExtended strand (participates in β ladder)trans-111.2174.6-179.669.20000111.6T126 S144 G145S120-T126 VanDerWaalsContact CB-OG1 3.27Å; S120-T126 WeakPolarHBondContact CB-OG1 3.27Å; S120-T126 PolarHBondContact OG-OG1 3.42Å; S120-S144 CarbonylContact O-C 3.54Å; S120-S144 WeakPolarHBondContact O-CA 3.19Å; S120-G145 PolarHBondContact O-N 3.27Å
121N96.2Very high97.8Very high0 Ų06.1 Ų6.10%03%0.033CC..  trans-162.6-64.4163.1-154.320.8000113.3G49 G145 G146 S194 N205G49-N121 WeakPolarHBondContact O-CB 3.29Å; G49-N121 PolarHBondContact O-ND2 3.35Å; N121-G145 PolarHBondContact OD1-N 3.48Å; N121-G146 PolarHBondContact ND2-N 3.47Å; N121-G146 PolarHBondContact ND2-O 3.5Å; N121-G146 PolarHBondContact OD1-N 2.98Å; N121-G146 PolarHBondContact OD1-O 3Å; N121-S194 PolarHBondContact ND2-N 3.23Å; N121-S194 VanDerWaalsContact ND2-N 3.13Å; N121-S194 PolarHBondContact OD1-OG 3.27Å; N121-N205 PolarHBondContact O-ND2 3.42Å; N121-N205 PolarHBondContact OD1-ND2 2.89Å; N121-N205 VanDerWaalsContact OD1-ND2 3.07Å
122C92.5Very high97.9Very high8 Ų82.2 Ų2.25%0.0541%0.014CC..SBendtrans-69.9171.2-174.2-158.10000110.9V47 H50 K124 I125V47-C122 HydrophobicContact CG1-CB 3.98Å; H50-C122 WeakPolarHBondContact NE2-CB 3.35Å; H50-C122 PolarHBondContact NE2-N 2.76Å; C122-K124 PolarHBondContact O-N 3.22Å; C122-I125 HydrophobicContact CB-CD1 4.16Å; C122-I125 PolarHBondContact O-N 2.89Å
123D93Very high97.9Very high10 Ų101.2 Ų1.25%0.0531%0.007CC..THydrogen-bonded Turntrans-48.1-64.3-156.7-166-38.8000114.3D81 I125 P127 T200D81-D123 HydrophobicContact CB-CB 4.46Å; D81-D123 WeakPolarHBondContact OD2-CB 3.38Å; D81-D123 VanDerWaalsContact OD2-CG 3.31Å; D123-I125 PolarHBondContact O-N 2.87Å; D123-P127 WeakPolarHBondContact O-CD 3.37Å; D123-P127 WeakPolarHBondContact O-CG 3.47Å; D123-T200 WeakPolarHBondContact OD1-CB 3.37Å; D123-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D123-T200 WeakPolarHBondContact OD2-CB 3.34Å; D123-T200 PolarHBondContact OD2-OG1 3.15Å
124K97.4Very high97.9Very high1 Ų11 Ų10%0.0041%0.006CC..THydrogen-bonded Turntrans-84.7-9.1-174.6-51.4-58.6179.4-69.70114.4D81 S93 L94 R97 C122 P127 G128 E491 R515D81-K124 IonicContact OD1-NZ 2.9Å; D81-K124 IonicContact OD2-NZ 3.48Å; D81-K124 PolarHBondContact OD2-NZ 3.3Å; S93-K124 WeakPolarHBondContact OG-CE 3.42Å; S93-K124 WeakPolarHBondContact OG-CG 3.4Å; S93-K124 PolarHBondContact OG-NZ 2.99Å; L94-K124 HydrophobicContact CD1-CD 4.24Å; R97-K124 HydrophobicContact CB-CB 4.33Å; C122-K124 PolarHBondContact O-N 3.22Å; K124-P127 WeakPolarHBondContact O-CG 3.34Å; K124-G128 PolarHBondContact O-N 3.34Å; K124-G128 VanDerWaalsContact O-N 3.12Å; K124-E491 IonicContact NZ-OE2 3.6Å; K124-E491 PolarHBondContact NZ-OE2 2.96Å; K124-R515 VanDerWaalsContact CE-NH1 3.28Å
125I98.2Very high97.8Very high0 Ų03 Ų30%01%0.014CC..Hα-helixtrans-76.6-50.3-174.9-63.764.4000110.4A78 I100 C122 D123 G128 M129A78-I125 HydrophobicContact CB-CD1 3.8Å; A78-I125 HydrophobicContact CB-CG1 3.6Å; I100-I125 HydrophobicContact CD1-CB 4.26Å; I100-I125 HydrophobicContact CD1-CD1 4.37Å; I100-I125 HydrophobicContact CD1-CG1 3.84Å; C122-I125 HydrophobicContact CB-CD1 4.16Å; C122-I125 PolarHBondContact O-N 2.89Å; D123-I125 PolarHBondContact O-N 2.87Å; I125-G128 PolarHBondContact O-N 2.91Å; I125-M129 HydrophobicContact CG2-CE 3.74Å; I125-M129 HydrophobicContact CG2-CG 4.41Å; I125-M129 HydrophobicContact CG2-SD 4.38Å; I125-M129 PolarHBondContact O-N 3.43Å
126T98.4Very high97.8Very high0 Ų03.9 Ų3.90%02%0.018CC..Hα-helixtrans-54.5-51.3177.2-59.60000112.2S120 G128 M129 L130 M204 N205 T208S120-T126 VanDerWaalsContact CB-OG1 3.27Å; S120-T126 WeakPolarHBondContact CB-OG1 3.27Å; S120-T126 PolarHBondContact OG-OG1 3.42Å; T126-G128 PolarHBondContact O-N 3.17Å; T126-M129 PolarHBondContact O-N 2.85Å; T126-L130 WeakPolarHBondContact O-CB 3.45Å; T126-L130 PolarHBondContact O-N 2.9Å; T126-M204 HydrophobicContact CG2-CB 3.94Å; T126-N205 PolarHBondContact OG1-OD1 3.27Å; T126-N205 VanDerWaalsContact OG1-OD1 3.06Å; T126-T208 HydrophobicContact CG2-CG2 3.63Å
127P98.6Very high97.8Very high1 Ų16 Ų61%0.0063%0.029CC..Hα-helixtrans-67.1-33.9176.725.1-33.1000113.5R97 D123 K124 L130 M131 M204 H284R97-P127 HydrophobicContact CG-CB 4.34Å; R97-P127 HydrophobicContact CG-CG 4.37Å; D123-P127 WeakPolarHBondContact O-CD 3.37Å; D123-P127 WeakPolarHBondContact O-CG 3.47Å; K124-P127 WeakPolarHBondContact O-CG 3.34Å; P127-L130 PolarHBondContact O-N 2.95Å; P127-M131 WeakPolarHBondContact O-CB 3.46Å; P127-M131 VanDerWaalsContact O-CG 3.3Å; P127-M131 WeakPolarHBondContact O-CG 3.4Å; P127-M131 PolarHBondContact O-N 3.42Å; P127-M204 HydrophobicContact CB-CE 4Å; P127-M204 HydrophobicContact CG-CG 4.48Å; P127-H284 HydrophobicContact CB-CB 3.81Å; P127-H284 HydrophobicContact CG-CB 4.49Å
128G98.7Very high97.8Very high0 Ų06.2 Ų6.20%03%0.03CC..Hα-helixtrans-62.4-45.7175.200000112.2R97 A101 K124 I125 T126 M131 A132R97-G128 WeakPolarHBondContact O-CA 3.49Å; A101-G128 WeakPolarHBondContact CA-O 3.03Å; A101-G128 WeakPolarHBondContact CB-O 3.3Å; K124-G128 PolarHBondContact O-N 3.34Å; K124-G128 VanDerWaalsContact O-N 3.12Å; I125-G128 PolarHBondContact O-N 2.91Å; T126-G128 PolarHBondContact O-N 3.17Å; G128-M131 PolarHBondContact O-N 3.06Å; G128-A132 PolarHBondContact O-N 2.83Å; G128-A132 VanDerWaalsContact O-N 3.12Å
129M98.8Very high97.8Very high0 Ų06.2 Ų6.20%03%0.03CC..Hα-helixtrans-66.3-36.5173.7-69.4-168.5-173.300112.2V40 T76 I100 V104 C118 I119 I125 T126 A132 S133 F142V40-M129 HydrophobicContact CB-CE 4.37Å; V40-M129 HydrophobicContact CB-SD 4.41Å; V40-M129 HydrophobicContact CG1-CE 3.62Å; V40-M129 HydrophobicContact CG1-CG 4.44Å; V40-M129 HydrophobicContact CG1-SD 4Å; T76-M129 HydrophobicContact CG2-CE 3.75Å; I100-M129 HydrophobicContact CG2-CG 4.1Å; V104-M129 HydrophobicContact CG2-CG 4.48Å; C118-M129 HydrophobicContact CB-CB 4.21Å; C118-M129 HydrophobicContact CB-SD 3.67Å; I119-M129 WeakPolarHBondContact O-CE 3.35Å; I125-M129 HydrophobicContact CG2-CE 3.74Å; I125-M129 HydrophobicContact CG2-CG 4.41Å; I125-M129 HydrophobicContact CG2-SD 4.38Å; I125-M129 PolarHBondContact O-N 3.43Å; T126-M129 PolarHBondContact O-N 2.85Å; M129-A132 PolarHBondContact O-N 2.99Å; M129-S133 WeakPolarHBondContact O-CB 3.38Å; M129-S133 PolarHBondContact O-N 3.15Å; M129-F142 HydrophobicContact CB-CE1 3.66Å; M129-F142 HydrophobicContact CB-CZ 4.03Å
130L98.8Very high97.8Very high0 Ų06.2 Ų6.20%03%0.031CC..Hα-helixtrans-61.1-48.4175.518059.9000111.2T126 P127 A132 S133 L134 F142 M204 L211 L213 A288T126-L130 WeakPolarHBondContact O-CB 3.45Å; T126-L130 PolarHBondContact O-N 2.9Å; P127-L130 PolarHBondContact O-N 2.95Å; L130-A132 PolarHBondContact O-N 2.9Å; L130-S133 PolarHBondContact O-N 3Å; L130-S133 VanDerWaalsContact O-N 3.16Å; L130-S133 PolarHBondContact O-OG 2.71Å; L130-L134 HydrophobicContact CD1-CD1 3.92Å; L130-L134 HydrophobicContact CD1-CG 4.34Å; L130-L134 HydrophobicContact CG-CD1 3.99Å; L130-L134 WeakPolarHBondContact O-CG 3.21Å; L130-L134 PolarHBondContact O-N 3.28Å; L130-L134 VanDerWaalsContact O-N 3.1Å; L130-F142 HydrophobicContact CB-CE1 4.46Å; L130-F142 HydrophobicContact CB-CZ 4.16Å; L130-F142 HydrophobicContact CD1-CE2 4.47Å; L130-F142 HydrophobicContact CD1-CZ 4.42Å; L130-M204 HydrophobicContact CD2-CE 4.11Å; L130-L211 HydrophobicContact CD1-CD1 4.32Å; L130-L211 HydrophobicContact CD2-CD1 3.88Å; L130-L213 HydrophobicContact CD1-CD1 3.47Å; L130-L213 VanDerWaalsContact CD1-CD1 3.47Å; L130-A288 HydrophobicContact CD2-CB 3.8Å; L130-A288 HydrophobicContact CG-CB 4.03Å
131M98.9Very high97.9Very high1 Ų16.2 Ų6.21%0.0053%0.03CC..Hα-helixtrans-56.8-49.5175.3-73.917261.900111.4R97 E98 A101 P127 G128 S133 L134 R135 A287 E291 V608R97-M131 VanDerWaalsContact CD-SD 3.6Å; R97-M131 HydrophobicContact CG-SD 3.83Å; R97-M131 PolarHBondContact NE-SD 2.98Å; R97-M131 VanDerWaalsContact NE-SD 3.38Å; E98-M131 WeakPolarHBondContact OE1-CE 3.48Å; E98-M131 WeakPolarHBondContact OE2-CE 3.34Å; A101-M131 HydrophobicContact CB-CB 4Å; P127-M131 WeakPolarHBondContact O-CB 3.46Å; P127-M131 VanDerWaalsContact O-CG 3.3Å; P127-M131 WeakPolarHBondContact O-CG 3.4Å; P127-M131 PolarHBondContact O-N 3.42Å; G128-M131 PolarHBondContact O-N 3.06Å; M131-S133 VanDerWaalsContact C-N 3.28Å; M131-S133 PolarHBondContact O-N 3.15Å; M131-L134 PolarHBondContact O-N 3.38Å; M131-R135 WeakPolarHBondContact O-CG 3.25Å; M131-R135 PolarHBondContact O-N 2.72Å; M131-A287 HydrophobicContact CE-CB 4.45Å; M131-A287 HydrophobicContact CG-CB 4.41Å; M131-A287 HydrophobicContact SD-CB 3.84Å; M131-E291 HydrophobicContact CB-CG 4.12Å; M131-E291 HydrophobicContact CE-CG 4.09Å; M131-E291 HydrophobicContact CG-CG 4.18Å; M131-V608 HydrophobicContact CE-CG1 3.97Å
132A98.8Very high98Very high0 Ų06.2 Ų6.20%03%0.031CC..Hα-helixtrans-56.7-42176.300000112.5A101 V104 G128 M129 L130 L134 R135 L136A101-A132 WeakPolarHBondContact O-CB 3.45Å; V104-A132 HydrophobicContact CB-CB 3.62Å; V104-A132 HydrophobicContact CG1-CB 3.6Å; V104-A132 HydrophobicContact CG2-CB 4.45Å; G128-A132 PolarHBondContact O-N 2.83Å; G128-A132 VanDerWaalsContact O-N 3.12Å; M129-A132 PolarHBondContact O-N 2.99Å; L130-A132 PolarHBondContact O-N 2.9Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 3.16Å; A132-R135 PolarHBondContact O-N 2.98Å; A132-L136 VanDerWaalsContact O-CB 3.31Å; A132-L136 WeakPolarHBondContact O-CB 3.2Å; A132-L136 WeakPolarHBondContact O-CD1 3Å; A132-L136 VanDerWaalsContact O-CG 3.26Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 2.92Å
133S98.8Very high98.3Very high0 Ų05.9 Ų5.90%03%0.028CC..Hα-helixtrans-63.1-37.218079.90000113.9M129 L130 M131 N137 P256M129-S133 WeakPolarHBondContact O-CB 3.38Å; M129-S133 PolarHBondContact O-N 3.15Å; L130-S133 PolarHBondContact O-N 3Å; L130-S133 VanDerWaalsContact O-N 3.16Å; L130-S133 PolarHBondContact O-OG 2.71Å; M131-S133 VanDerWaalsContact C-N 3.28Å; M131-S133 PolarHBondContact O-N 3.15Å; S133-N137 PolarHBondContact O-N 3.17Å; S133-P256 WeakPolarHBondContact O-CG 3.34Å
134L98.7Very high98.6Very high0 Ų05.4 Ų5.40%03%0.025CC..Hα-helixtrans-78.8-34.6179.3-63.4165.9000111L130 M131 A132 P256 R257 A260 F265 A288 E291 A292L130-L134 HydrophobicContact CD1-CD1 3.92Å; L130-L134 HydrophobicContact CD1-CG 4.34Å; L130-L134 HydrophobicContact CG-CD1 3.99Å; L130-L134 WeakPolarHBondContact O-CG 3.21Å; L130-L134 PolarHBondContact O-N 3.28Å; L130-L134 VanDerWaalsContact O-N 3.1Å; M131-L134 PolarHBondContact O-N 3.38Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 3.16Å; L134-P256 HydrophobicContact CD2-CB 4.23Å; L134-R257 HydrophobicContact CD2-CG 4.34Å; L134-R257 PolarHBondContact O-NE 3.33Å; L134-R257 PolarHBondContact O-NH2 3.01Å; L134-A260 HydrophobicContact CD2-CB 4.17Å; L134-F265 HydrophobicContact CD1-CZ 4.21Å; L134-A288 HydrophobicContact CD1-CB 3.68Å; L134-A288 WeakPolarHBondContact CD1-O 3.46Å; L134-E291 CarbonylContact C-O 3.52Å; L134-E291 HydrophobicContact CB-CB 4.22Å; L134-A292 HydrophobicContact CB-CB 4.11Å; L134-A292 HydrophobicContact CD1-CB 4.14Å; L134-A292 HydrophobicContact CD2-CB 4.01Å; L134-A292 HydrophobicContact CG-CB 4.29Å
135R97.7Very high98.6Very high42 Ų425.3 Ų5.316%0.1583%0.025CC..Hα-helixtrans-61.5-50.2170.3-70.4-178.2-172.9163.95.7112E98 D102 E105 M131 A132 E291E98-R135 IonicContact OE2-NH2 3.46Å; E98-R135 PolarHBondContact OE2-NH2 2.92Å; D102-R135 IonicContact OD1-NH1 2.75Å; D102-R135 PolarHBondContact OD1-NH1 3.15Å; E105-R135 WeakPolarHBondContact OE2-CD 3.44Å; E105-R135 IonicContact OE2-NH1 3.95Å; M131-R135 WeakPolarHBondContact O-CG 3.25Å; M131-R135 PolarHBondContact O-N 2.72Å; A132-R135 PolarHBondContact O-N 2.98Å; R135-E291 HydrophobicContact CG-CB 3.83Å; R135-E291 HydrophobicContact CG-CG 3.92Å; R135-E291 WeakPolarHBondContact CG-OE2 3.36Å; R135-E291 IonicContact CZ-OE1 3.58Å; R135-E291 IonicContact NE-OE1 3.11Å; R135-E291 PolarHBondContact NE-OE1 2.67Å; R135-E291 IonicContact NE-OE2 3.22Å; R135-E291 PolarHBondContact NE-OE2 2.81Å; R135-E291 IonicContact NH2-OE1 3.35Å; R135-E291 PolarHBondContact NH2-OE1 2.9Å
136L98.6Very high98.6Very high17 Ų175.3 Ų5.39%0.0893%0.025CC..Hα-helixtrans-73.7-31.1-174.4-72164.5000113.1V104 E105 V108 N109 M116 A132 I138V104-L136 HydrophobicContact CG1-CD1 4.22Å; E105-L136 HydrophobicContact CG-CD2 4.07Å; E105-L136 HydrophobicContact CG-CG 4.5Å; V108-L136 HydrophobicContact CB-CD1 3.78Å; V108-L136 HydrophobicContact CB-CD2 4.14Å; V108-L136 HydrophobicContact CG1-CD1 3.81Å; V108-L136 HydrophobicContact CG1-CD2 3.83Å; V108-L136 HydrophobicContact CG1-CG 4.39Å; V108-L136 HydrophobicContact CG2-CD1 3.92Å; N109-L136 VanDerWaalsContact OD1-CD2 3.24Å; N109-L136 WeakPolarHBondContact OD1-CD2 3.41Å; M116-L136 HydrophobicContact CE-CD1 3.96Å; M116-L136 HydrophobicContact SD-CD1 4.06Å; A132-L136 VanDerWaalsContact O-CB 3.31Å; A132-L136 WeakPolarHBondContact O-CB 3.2Å; A132-L136 WeakPolarHBondContact O-CD1 3Å; A132-L136 VanDerWaalsContact O-CG 3.26Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 2.92Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 HydrophobicContact CB-CG1 4.26Å; L136-I138 PolarHBondContact O-N 2.83Å
137N98.6Very high98.6Very high44 Ų445.3 Ų5.324%0.2353%0.025CC..  trans45.248.7-178.1-162.735.3000114.5S133 L255 R257S133-N137 PolarHBondContact O-N 3.17Å; N137-L255 WeakPolarHBondContact O-CD2 3.2Å; N137-R257 HydrophobicContact CB-CG 4.23Å; N137-R257 WeakPolarHBondContact OD1-CB 3.5Å; N137-R257 WeakPolarHBondContact OD1-CG 3.29Å; N137-R257 PolarHBondContact OD1-N 3.35Å
138I98.8Very high98.5Very high5 Ų55.7 Ų5.73%0.0263%0.027CC..SBendtrans-111.5159168.456.1174.9000110.1V108 L136 V140 P256V108-I138 HydrophobicContact CG1-CD1 3.51Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 HydrophobicContact CB-CG1 4.26Å; L136-I138 PolarHBondContact O-N 2.83Å; I138-V140 PolarHBondContact O-N 2.59Å; I138-P256 WeakPolarHBondContact O-CD 3.32Å; I138-P256 WeakPolarHBondContact O-CG 3.49Å
139P98.9Very high98.5Very high0 Ų05.7 Ų5.70%03%0.027CC..  trans-48.4131.5177.7-28.436.6000111.9A115 M116 I239 L242 Y246 Y247 L255A115-P139 CarbonylContact C-O 3.57Å; A115-P139 VanDerWaalsContact CA-O 3.24Å; A115-P139 WeakPolarHBondContact CA-O 3.4Å; A115-P139 HydrophobicContact CB-CB 3.95Å; A115-P139 VanDerWaalsContact CB-O 3.28Å; A115-P139 WeakPolarHBondContact CB-O 3.23Å; M116-P139 PolarHBondContact N-O 3.46Å; P139-I239 HydrophobicContact CB-CD1 4.43Å; P139-L242 HydrophobicContact CB-CB 4.21Å; P139-Y246 HydrophobicContact CG-CD1 4.02Å; P139-Y246 HydrophobicContact CG-CG 4.22Å; P139-Y247 HydrophobicContact CG-CE2 4.48Å; P139-L255 HydrophobicContact CG-CD2 4.13Å
140V98.9Very high98.4Very high1 Ų15.8 Ų5.81%0.0063%0.028CC..EExtended strand (participates in β ladder)trans-143149-175.263.20000110.8M116 I138 F142 L213 P256M116-V140 HydrophobicContact CE-CB 4.27Å; M116-V140 HydrophobicContact CE-CG2 4Å; M116-V140 HydrophobicContact CG-CB 4.14Å; M116-V140 HydrophobicContact CG-CG2 3.87Å; M116-V140 VanDerWaalsContact O-CA 3.28Å; M116-V140 WeakPolarHBondContact O-CA 3.38Å; I138-V140 PolarHBondContact O-N 2.59Å; V140-F142 HydrophobicContact CG2-CD2 3.99Å; V140-F142 HydrophobicContact CG2-CE2 3.66Å; V140-L213 HydrophobicContact CG1-CD2 4.18Å; V140-P256 HydrophobicContact CG1-CB 3.54Å; V140-P256 HydrophobicContact CG1-CG 3.81Å
141I98.9Very high98.1Very high0 Ų05.8 Ų5.80%03%0.028CC..EExtended strand (participates in β ladder)trans-138.4138.3165.1-167.3162000109.7M116 V117 C118 Q215 A235 R238 I239 V352M116-I141 PolarHBondContact O-N 3.36Å; V117-I141 WeakPolarHBondContact CA-O 3.27Å; V117-I141 HydrophobicContact CB-CG2 4.39Å; V117-I141 HydrophobicContact CG1-CG2 4.15Å; V117-I141 HydrophobicContact CG2-CG2 3.92Å; C118-I141 PolarHBondContact N-O 3.19Å; I141-Q215 HydrophobicContact CD1-CG 3.99Å; I141-A235 HydrophobicContact CG2-CB 4.13Å; I141-R238 HydrophobicContact CD1-CB 3.95Å; I141-R238 HydrophobicContact CD1-CG 3.88Å; I141-I239 HydrophobicContact CB-CD1 4.45Å; I141-I239 HydrophobicContact CG2-CB 3.84Å; I141-I239 HydrophobicContact CG2-CD1 4.11Å; I141-I239 HydrophobicContact CG2-CG1 4.29Å; I141-V352 HydrophobicContact CB-CG1 4.47Å; I141-V352 HydrophobicContact CD1-CB 4.08Å; I141-V352 HydrophobicContact CD1-CG1 4.46Å; I141-V352 HydrophobicContact CD1-CG2 3.92Å; I141-V352 HydrophobicContact CG1-CB 4.34Å; I141-V352 HydrophobicContact CG1-CG1 4.22Å; I141-V352 HydrophobicContact CG1-CG2 4.19Å
142F98.8Very high97.7Very high1 Ų19.4 Ų9.40%0.0044%0.043CC..EExtended strand (participates in β ladder)trans-99.4133.7176.6-80-105.5000110.3C118 M129 L130 V140 T208 L213 S214C118-F142 HydrophobicContact CB-CD1 3.55Å; C118-F142 HydrophobicContact CB-CD2 4.16Å; C118-F142 HydrophobicContact CB-CE1 3.51Å; C118-F142 HydrophobicContact CB-CE2 4.12Å; C118-F142 HydrophobicContact CB-CG 3.86Å; C118-F142 HydrophobicContact CB-CZ 3.77Å; M129-F142 HydrophobicContact CB-CE1 3.66Å; M129-F142 HydrophobicContact CB-CZ 4.03Å; L130-F142 HydrophobicContact CB-CE1 4.46Å; L130-F142 HydrophobicContact CB-CZ 4.16Å; L130-F142 HydrophobicContact CD1-CE2 4.47Å; L130-F142 HydrophobicContact CD1-CZ 4.42Å; V140-F142 HydrophobicContact CG2-CD2 3.99Å; V140-F142 HydrophobicContact CG2-CE2 3.66Å; F142-T208 HydrophobicContact CD1-CG2 4.13Å; F142-T208 HydrophobicContact CG-CG2 4.29Å; F142-L213 HydrophobicContact CD2-CB 4Å; F142-L213 HydrophobicContact CE2-CD1 4.39Å; F142-L213 PolarHBondContact N-O 2.48Å; F142-S214 WeakPolarHBondContact CB-OG 3.3Å; F142-S214 PolarHBondContact O-OG 3.24Å
143V98.7Very high96.7Very high0 Ų010 Ų100%05%0.047CC..EExtended strand (participates in β ladder)trans-133.2111.4169.858.80000109.4V117 C118 I119 N218 L231 F232 A235V117-V143 HydrophobicContact CG1-CG1 3.83Å; C118-V143 PolarHBondContact O-N 3.43Å; I119-V143 WeakPolarHBondContact CA-O 3.5Å; I119-V143 HydrophobicContact CG1-CG1 3.99Å; V143-N218 WeakPolarHBondContact CA-OD1 3.37Å; V143-L231 HydrophobicContact CG2-CB 4.15Å; V143-F232 HydrophobicContact CG1-CD1 3.85Å; V143-F232 HydrophobicContact CG1-CE1 3.91Å; V143-F232 HydrophobicContact CG2-CD1 3.81Å; V143-F232 HydrophobicContact CG2-CD2 3.9Å; V143-F232 HydrophobicContact CG2-CE1 3.85Å; V143-F232 HydrophobicContact CG2-CE2 3.93Å; V143-F232 HydrophobicContact CG2-CG 3.83Å; V143-F232 HydrophobicContact CG2-CZ 3.9Å; V143-A235 HydrophobicContact CB-CB 4.01Å; V143-A235 HydrophobicContact CG1-CB 3.96Å
144S98Very high95.3Very high0 Ų018.4 Ų18.40%08%0.084CC..EExtended strand (participates in β ladder)trans-77.9155.7-176.969.10000112S120 G146 N218 R228 F232S120-S144 CarbonylContact O-C 3.54Å; S120-S144 WeakPolarHBondContact O-CA 3.19Å; S144-G146 PolarHBondContact O-N 2.95Å; S144-N218 PolarHBondContact N-OD1 2.82Å; S144-N218 PolarHBondContact OG-O 2.87Å; S144-N218 PolarHBondContact OG-OD1 2.57Å; S144-R228 PolarHBondContact O-NH1 2.79Å; S144-R228 PolarHBondContact OG-NH1 3.21Å; S144-F232 WeakPolarHBondContact O-CZ 3.42Å
145G98.1Very high93.6Very high0 Ų020.9 Ų20.90%010%0.097CC..  trans-62.5-26.8169.600000113.8H52 S120 N121 A223 R228H52-G145 PolarHBondContact NE2-O 2.98Å; S120-G145 PolarHBondContact O-N 3.27Å; N121-G145 PolarHBondContact OD1-N 3.48Å; G145-A223 WeakPolarHBondContact O-CA 3.43Å; G145-A223 WeakPolarHBondContact O-CB 3.39Å; G145-R228 WeakPolarHBondContact O-CD 3.38Å
146G98.3Very high92.1Very high0 Ų021.4 Ų21.40%011%0.107CC..  trans93.9156.3179.900000114.1N121 S144 G193 S194N121-G146 PolarHBondContact ND2-N 3.47Å; N121-G146 PolarHBondContact ND2-O 3.5Å; N121-G146 PolarHBondContact OD1-N 2.98Å; N121-G146 PolarHBondContact OD1-O 3Å; S144-G146 PolarHBondContact O-N 2.95Å; G146-G193 CarbonylContact O-C 3.58Å; G146-G193 WeakPolarHBondContact O-CA 3.49Å; G146-S194 PolarHBondContact O-N 3.13Å; G146-S194 PolarHBondContact O-OG 2.81Å
147P98.1Very high90.4Very high0 Ų029.1 Ų29.10%015%0.148CC..BIsolated β-bridgetrans-61.8146.7170.525.4-36.9000112.6S194 S220 L221 L222 A223 M323P147-S194 VanDerWaalsContact CA-OG 3.31Å; P147-S194 WeakPolarHBondContact CA-OG 3.26Å; P147-S220 WeakPolarHBondContact CG-O 3.42Å; P147-L221 VanDerWaalsContact CD-O 3.27Å; P147-L221 WeakPolarHBondContact CD-O 3.15Å; P147-L222 HydrophobicContact CB-CD2 4.41Å; P147-L222 HydrophobicContact CG-CD2 4.21Å; P147-A223 WeakPolarHBondContact O-CB 3.38Å; P147-A223 PolarHBondContact O-N 2.88Å; P147-M323 HydrophobicContact CB-CB 3.92Å; P147-M323 HydrophobicContact CB-CG 3.87Å; P147-M323 HydrophobicContact CG-CB 4.09Å; P147-M323 HydrophobicContact CG-CG 3.61Å
148M97.8Very high89.1Confident8 Ų834.2 Ų34.24%0.03917%0.171CC..PPolyproline II helixtrans-72.9156.4164.777.5176.954.500110.3C189 T191 C192 G193 S194M148-C189 HydrophobicContact CE-CB 4.35Å; M148-C189 HydrophobicContact SD-CB 3.86Å; M148-T191 WeakPolarHBondContact CB-OG1 3.37Å; M148-C192 WeakPolarHBondContact CA-O 3.39Å; M148-C192 WeakPolarHBondContact CB-O 3.04Å; M148-G193 WeakPolarHBondContact CE-O 3.38Å; M148-S194 WeakPolarHBondContact CB-O 3.45Å; M148-S194 VanDerWaalsContact CG-O 3.23Å; M148-S194 WeakPolarHBondContact CG-O 3.07Å; M148-S194 PolarHBondContact N-O 3.08Å
149E97.4Very high88.1Confident1 Ų139.4 Ų39.41%0.00520%0.197CC..PPolyproline II helixtrans-64.1146.1170.9-57.5-171.5-171.300111.1P190 T191 L222 T224 P382 A383 G384 Q393E149-P190 HydrophobicContact CB-CG 4.49Å; E149-P190 WeakPolarHBondContact O-CG 3.26Å; E149-T191 HydrophobicContact CB-CG2 4.2Å; E149-T191 HydrophobicContact CG-CG2 4.15Å; E149-T191 PolarHBondContact N-OG1 3.22Å; E149-L222 HydrophobicContact CG-CD1 4.03Å; E149-L222 HydrophobicContact CG-CD2 4.18Å; E149-T224 PolarHBondContact OE1-OG1 2.88Å; E149-P382 HydrophobicContact CB-CB 4.1Å; E149-P382 HydrophobicContact CG-CB 3.89Å; E149-P382 VanDerWaalsContact OE2-CB 3.32Å; E149-P382 WeakPolarHBondContact OE2-CB 3.44Å; E149-A383 PolarHBondContact OE1-N 2.85Å; E149-A383 PolarHBondContact OE2-N 2.9Å; E149-G384 PolarHBondContact OE2-N 3.32Å; E149-Q393 PolarHBondContact OE1-NE2 2.75Å
150A96.2Very high87.3Confident2 Ų242.4 Ų42.42%0.01721%0.213CC..PPolyproline II helixtrans-65.113717400000110.8H322 E324A150-H322 HydrophobicContact CB-CB 3.91Å; A150-E324 PolarHBondContact N-OE2 2.76Å; A150-E324 VanDerWaalsContact N-OE2 3.1Å
151G94.2Very high86.8Confident0 Ų044.3 Ų44.30%022%0.221CC..EExtended strand (participates in β ladder)trans-61.5153.1171.400000111.3K161 L162 S187G151-K161 CarbonylContact O-C 3.52Å; G151-K161 VanDerWaalsContact O-CA 3.32Å; G151-K161 WeakPolarHBondContact O-CA 3.28Å; G151-L162 WeakPolarHBondContact CA-O 3.11Å; G151-L162 PolarHBondContact N-O 2.91Å; G151-L162 PolarHBondContact O-N 3.2Å; G151-S187 WeakPolarHBondContact CA-O 3.37Å
152K89Confident86.4Confident76 Ų7644.4 Ų44.433%0.3322%0.221SC..EExtended strand (participates in β ladder)trans-139.1136.8178.5-67.6171.1-169.6161.40109.7I159 I160K152-I159 HydrophobicContact CB-CG2 3.96Å; K152-I159 HydrophobicContact CD-CG2 4.24Å; K152-I159 HydrophobicContact CG-CG2 3.99Å; K152-I160 WeakPolarHBondContact CA-O 3.5Å
153T77.8Confident86.1Confident14 Ų1444.4 Ų44.49%0.08622%0.221CC..EExtended strand (participates in β ladder)trans-135.2154.9174.1-170.30000112.4L155 I160 L162T153-L155 HydrophobicContact CG2-CB 4.1Å; T153-L155 HydrophobicContact CG2-CD1 4.07Å; T153-L155 HydrophobicContact CG2-CG 4.17Å; T153-L155 WeakPolarHBondContact OG1-CG 3.44Å; T153-L155 PolarHBondContact OG1-N 2.75Å; T153-I160 HydrophobicContact CG2-CB 3.98Å; T153-I160 PolarHBondContact N-O 3.45Å; T153-I160 PolarHBondContact O-N 2.88Å; T153-L162 HydrophobicContact CG2-CD1 3.53Å; T153-L162 HydrophobicContact CG2-CD2 4.18Å; T153-L162 HydrophobicContact CG2-CG 3.98Å
154K69.9Low85.8Confident175 Ų17546.6 Ų46.676%0.76123%0.233SC*.  trans-10628.7173.9-68.7-173.9175.8-176.20112.1S156K154-S156 CarbonylContact C-O 3.56Å; K154-S156 PolarHBondContact O-N 3.15Å; K154-S156 VanDerWaalsContact O-N 3.11Å
155L63.5Low85.5Confident52 Ų5246.8 Ų46.827%0.27223%0.234SC..SBendtrans-62.8-10.7176.1-78.4172.4000113.5T153 Q180 Q183 V184T153-L155 HydrophobicContact CG2-CB 4.1Å; T153-L155 HydrophobicContact CG2-CD1 4.07Å; T153-L155 HydrophobicContact CG2-CG 4.17Å; T153-L155 WeakPolarHBondContact OG1-CG 3.44Å; T153-L155 PolarHBondContact OG1-N 2.75Å; L155-Q180 HydrophobicContact CD2-CB 4.44Å; L155-Q180 HydrophobicContact CD2-CG 4.07Å; L155-Q183 HydrophobicContact CD1-CB 4.36Å; L155-Q183 HydrophobicContact CD2-CB 4.3Å; L155-V184 HydrophobicContact CD1-CG2 3.36Å
156S65.3Low85.2Confident53 Ų5347.5 Ų47.537%0.37124%0.238SC..SBendtrans-131.1175.6167.475.90000110.3K154 Q158 I160K154-S156 CarbonylContact C-O 3.56Å; K154-S156 PolarHBondContact O-N 3.15Å; K154-S156 VanDerWaalsContact O-N 3.11Å; S156-Q158 PolarHBondContact O-N 3.38Å; S156-Q158 PolarHBondContact OG-N 3.1Å; S156-Q158 PolarHBondContact OG-O 3.02Å; S156-Q158 VanDerWaalsContact OG-O 3.12Å; S156-I160 WeakPolarHBondContact OG-CD1 3.37Å
157D64.3Low84.9Confident179 Ų17948.5 Ų48.596%0.95725%0.246SC*.SBendtrans-61.5-7174.8-63.5-35.6000113.6
158Q69.9Low84.5Confident152 Ų15249.9 Ų49.971%0.7125%0.253SS*.SBendtrans-117.5148.8177.4-62.2-174.6-7.400110.7S156 I160S156-Q158 PolarHBondContact O-N 3.38Å; S156-Q158 PolarHBondContact OG-N 3.1Å; S156-Q158 PolarHBondContact OG-O 3.02Å; S156-Q158 VanDerWaalsContact OG-O 3.12Å; Q158-I160 PolarHBondContact O-N 3.19Å; Q158-I160 VanDerWaalsContact O-N 3.15Å
159I77.9Confident84.2Confident113 Ų11351 Ų5158%0.57926%0.259SS*.  trans-67.4115.2169.3-64.1176.1000107.6K152K152-I159 HydrophobicContact CB-CG2 3.96Å; K152-I159 HydrophobicContact CD-CG2 4.24Å; K152-I159 HydrophobicContact CG-CG2 3.99Å
160I81.8Confident83.8Confident64 Ų6453.3 Ų53.333%0.32827%0.27SS..EExtended strand (participates in β ladder)trans-92.5123.1172.9-58.8174.1000107.2K152 T153 S156 Q158 L162K152-I160 WeakPolarHBondContact CA-O 3.5Å; T153-I160 HydrophobicContact CG2-CB 3.98Å; T153-I160 PolarHBondContact N-O 3.45Å; T153-I160 PolarHBondContact O-N 2.88Å; S156-I160 WeakPolarHBondContact OG-CD1 3.37Å; Q158-I160 PolarHBondContact O-N 3.19Å; Q158-I160 VanDerWaalsContact O-N 3.15Å; I160-L162 HydrophobicContact CG2-CD2 3.97Å
161K88.9Confident83.6Confident41 Ų4155.7 Ų55.718%0.17829%0.294CS..EExtended strand (participates in β ladder)trans-72.5139.4167.3-67.4-178176.9174.90108.5G151 K320 D325G151-K161 CarbonylContact O-C 3.52Å; G151-K161 VanDerWaalsContact O-CA 3.32Å; G151-K161 WeakPolarHBondContact O-CA 3.28Å; K161-K320 PolarHBondContact NZ-O 2.9Å; K161-K320 VanDerWaalsContact NZ-O 3.12Å; K161-D325 IonicContact NZ-OD1 2.66Å; K161-D325 PolarHBondContact NZ-OD1 2.72Å; K161-D325 IonicContact NZ-OD2 2.95Å; K161-D325 PolarHBondContact NZ-OD2 3.21Å
162L91.6Very high83.3Confident1 Ų156.9 Ų56.91%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-128.5149.9-176.1-63.1173.4000110.5G151 T153 I160 D166 V184 A188G151-L162 WeakPolarHBondContact CA-O 3.11Å; G151-L162 PolarHBondContact N-O 2.91Å; G151-L162 PolarHBondContact O-N 3.2Å; T153-L162 HydrophobicContact CG2-CD1 3.53Å; T153-L162 HydrophobicContact CG2-CD2 4.18Å; T153-L162 HydrophobicContact CG2-CG 3.98Å; I160-L162 HydrophobicContact CG2-CD2 3.97Å; L162-D166 WeakPolarHBondContact CA-OD2 3.44Å; L162-D166 HydrophobicContact CD2-CB 3.93Å; L162-V184 HydrophobicContact CD1-CB 4.49Å; L162-V184 HydrophobicContact CD1-CG1 4.05Å; L162-V184 HydrophobicContact CD1-CG2 4.44Å; L162-V184 HydrophobicContact CD2-CG1 4.16Å; L162-A188 HydrophobicContact CB-CB 4.5Å
163D92.4Very high83.4Confident2 Ų255.1 Ų55.11%0.01130%0.298CS..  trans-134.6-175.416468.137.8000111.9V165 D166 A167 A188 S196 F199 A315 H322D163-V165 VanDerWaalsContact C-N 3.25Å; D163-V165 PolarHBondContact O-N 3.47Å; D163-V165 WeakPolarHBondContact OD1-CA 3.01Å; D163-V165 VanDerWaalsContact OD1-CB 3.23Å; D163-V165 WeakPolarHBondContact OD1-CB 3.1Å; D163-V165 PolarHBondContact OD1-N 3.46Å; D163-D166 PolarHBondContact N-OD2 3.13Å; D163-D166 PolarHBondContact O-N 3.07Å; D163-D166 PolarHBondContact OD1-N 3.15Å; D163-A167 PolarHBondContact O-N 3.36Å; D163-A188 WeakPolarHBondContact O-CB 3.37Å; D163-S196 WeakPolarHBondContact CB-OG 3.35Å; D163-F199 HydrophobicContact CB-CZ 4.43Å; D163-F199 WeakPolarHBondContact OD2-CZ 3.41Å; D163-A315 WeakPolarHBondContact OD2-CB 3.4Å; D163-H322 IonicContact OD2-NE2 2.76Å
164L92.6Very high83.8Confident45 Ų4559.5 Ų59.524%0.23633%0.327CS..Hα-helixtrans-55.9-38.5178.2174.364.3000112.7D166 A167 M168L164-D166 VanDerWaalsContact C-N 3.33Å; L164-A167 PolarHBondContact O-N 2.9Å; L164-M168 HydrophobicContact CD1-SD 4.44Å; L164-M168 HydrophobicContact CG-SD 4.17Å; L164-M168 WeakPolarHBondContact O-CG 3.46Å; L164-M168 PolarHBondContact O-N 2.87Å
165V90.7Very high84.9Confident5 Ų560 Ų603%0.0333%0.329CS..Hα-helixtrans-68.2-37.6-177.4-178.20000110D163 A167 M168 I169 F199 L493D163-V165 VanDerWaalsContact C-N 3.25Å; D163-V165 PolarHBondContact O-N 3.47Å; D163-V165 WeakPolarHBondContact OD1-CA 3.01Å; D163-V165 VanDerWaalsContact OD1-CB 3.23Å; D163-V165 WeakPolarHBondContact OD1-CB 3.1Å; D163-V165 PolarHBondContact OD1-N 3.46Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 2.9Å; V165-M168 PolarHBondContact O-N 3.02Å; V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 HydrophobicContact CG1-CG1 4.19Å; V165-I169 WeakPolarHBondContact O-CG1 3.3Å; V165-I169 PolarHBondContact O-N 3.41Å; V165-F199 HydrophobicContact CG2-CE1 4.07Å; V165-F199 HydrophobicContact CG2-CE2 4.12Å; V165-F199 HydrophobicContact CG2-CZ 3.55Å; V165-L493 HydrophobicContact CG2-CD1 4.48Å; V165-L493 HydrophobicContact CG2-CD2 4.28Å
166D91Very high86.1Confident14 Ų1458.9 Ų58.98%0.07533%0.325CS..Hα-helixtrans-62.5-40.9176.5-62-54.1000112L162 D163 L164 M168 I169 Q170 Q319L162-D166 WeakPolarHBondContact CA-OD2 3.44Å; L162-D166 HydrophobicContact CD2-CB 3.93Å; D163-D166 PolarHBondContact N-OD2 3.13Å; D163-D166 PolarHBondContact O-N 3.07Å; D163-D166 PolarHBondContact OD1-N 3.15Å; L164-D166 VanDerWaalsContact C-N 3.33Å; D166-M168 VanDerWaalsContact C-N 3.31Å; D166-M168 PolarHBondContact O-N 3.15Å; D166-I169 PolarHBondContact O-N 3.4Å; D166-Q170 WeakPolarHBondContact O-CB 3.38Å; D166-Q170 WeakPolarHBondContact O-CG 3.04Å; D166-Q170 PolarHBondContact O-N 3.27Å; D166-Q319 PolarHBondContact OD1-NE2 2.74Å
167A92.3Very high87.5Confident22 Ų2259 Ų5918%0.18233%0.326CS..Hα-helixtrans-61.4-40.9174.800000111.7D163 L164 V165 G171 V184 A188D163-A167 PolarHBondContact O-N 3.36Å; L164-A167 PolarHBondContact O-N 2.9Å; V165-A167 VanDerWaalsContact C-N 3.34Å; V165-A167 PolarHBondContact O-N 2.9Å; A167-G171 PolarHBondContact O-N 3.12Å; A167-V184 HydrophobicContact CB-CG1 4.05Å; A167-A188 HydrophobicContact CB-CB 3.97Å
168M90.8Very high88.9Confident29 Ų2957.1 Ų57.114%0.14332%0.315CS..Hα-helixtrans-69.8-42.3178.9-67.8174.854.900113.3M85 L164 V165 D166 A172 L493 Y494M85-M168 HydrophobicContact CG-CE 4.3Å; L164-M168 HydrophobicContact CD1-SD 4.44Å; L164-M168 HydrophobicContact CG-SD 4.17Å; L164-M168 WeakPolarHBondContact O-CG 3.46Å; L164-M168 PolarHBondContact O-N 2.87Å; V165-M168 PolarHBondContact O-N 3.02Å; D166-M168 VanDerWaalsContact C-N 3.31Å; D166-M168 PolarHBondContact O-N 3.15Å; M168-A172 PolarHBondContact O-N 2.76Å; M168-L493 HydrophobicContact CE-CB 4.02Å; M168-L493 HydrophobicContact CE-CD2 3.43Å; M168-L493 VanDerWaalsContact CE-CD2 3.43Å; M168-L493 HydrophobicContact CE-CG 3.49Å; M168-L493 VanDerWaalsContact CE-CG 3.49Å; M168-L493 HydrophobicContact SD-CD2 3.38Å; M168-L493 WeakPolarHBondContact SD-CD2 3.23Å; M168-L493 HydrophobicContact SD-CG 4.13Å; M168-Y494 HydrophobicContact CE-CD1 3.28Å; M168-Y494 HydrophobicContact CE-CE1 3.24Å; M168-Y494 HydrophobicContact SD-CE1 4.48Å
169I90.1Very high90Very high32 Ų3253.3 Ų53.316%0.16431%0.306CS..Hα-helixtrans-64.7-48.1178.7-69.3170.5000109.7V165 D166 A172 D173 K500 S501V165-I169 HydrophobicContact CG1-CD1 3.74Å; V165-I169 HydrophobicContact CG1-CG1 4.19Å; V165-I169 WeakPolarHBondContact O-CG1 3.3Å; V165-I169 PolarHBondContact O-N 3.41Å; D166-I169 PolarHBondContact O-N 3.4Å; I169-A172 PolarHBondContact O-N 3.11Å; I169-D173 PolarHBondContact O-N 3.05Å; I169-D173 VanDerWaalsContact O-N 3.15Å; I169-K500 HydrophobicContact CD1-CD 3.77Å; I169-S501 PolarHBondContact O-OG 3.17Å
170Q89.9Confident90.6Very high49 Ų4951.6 Ų51.623%0.22930%0.295CS..Hα-helixtrans-69-35.8-177.6-71.4-17460.200112.4D166 A172 D173 V176D166-Q170 WeakPolarHBondContact O-CB 3.38Å; D166-Q170 WeakPolarHBondContact O-CG 3.04Å; D166-Q170 PolarHBondContact O-N 3.27Å; Q170-A172 PolarHBondContact O-N 3.03Å; Q170-D173 PolarHBondContact O-N 3.48Å; Q170-V176 HydrophobicContact CB-CG1 4.29Å; Q170-V176 HydrophobicContact CB-CG2 4.24Å; Q170-V176 HydrophobicContact CG-CG2 4.32Å; Q170-V176 WeakPolarHBondContact O-CB 3.37Å
171G91.2Very high91.1Very high51 Ų5149.9 Ų49.953%0.52629%0.289SS..Hα-helixtrans-65.8-17.2176.200000114.7A167A167-G171 PolarHBondContact O-N 3.12Å
172A89.4Confident91.3Very high26 Ų2651.7 Ų51.722%0.21530%0.3CS..THydrogen-bonded Turntrans-110.4-2.3176.600000113.8M168 I169 Q170 P174 F498M168-A172 PolarHBondContact O-N 2.76Å; I169-A172 PolarHBondContact O-N 3.11Å; Q170-A172 PolarHBondContact O-N 3.03Å; A172-P174 WeakPolarHBondContact O-CD 3.11Å; A172-F498 HydrophobicContact CB-CD1 3.46Å; A172-F498 VanDerWaalsContact CB-CD1 3.46Å; A172-F498 HydrophobicContact CB-CE1 3.43Å; A172-F498 VanDerWaalsContact CB-CE1 3.43Å; A172-F498 HydrophobicContact CB-CZ 4.44Å
173D89.2Confident91.3Very high39 Ų3955.9 Ų55.921%0.20932%0.32CS..  trans-83.4115.6177.8-176.8-14.6000109.8I169 Q170 K175 V176I169-D173 PolarHBondContact O-N 3.05Å; I169-D173 VanDerWaalsContact O-N 3.15Å; Q170-D173 PolarHBondContact O-N 3.48Å; D173-K175 PolarHBondContact O-N 2.94Å; D173-K175 VanDerWaalsContact OD1-CB 3.31Å; D173-K175 WeakPolarHBondContact OD1-CB 3.13Å; D173-K175 PolarHBondContact OD1-N 3.06Å; D173-V176 HydrophobicContact CB-CB 4.44Å; D173-V176 HydrophobicContact CB-CG2 3.86Å; D173-V176 PolarHBondContact O-N 3.21Å
174P88Confident91.3Very high106 Ų10655.8 Ų55.869%0.68832%0.319SS*.THydrogen-bonded Turntrans-64.5-9.9-178.227.7-36000114.1A172A172-P174 WeakPolarHBondContact O-CD 3.11Å
175K92Very high91.3Very high184 Ų18459.8 Ų59.880%0.834%0.337SS*.THydrogen-bonded Turntrans-88.7-13.4175.5-59.3171.8-174.8167.10112.9D173D173-K175 PolarHBondContact O-N 2.94Å; D173-K175 VanDerWaalsContact OD1-CB 3.31Å; D173-K175 WeakPolarHBondContact OD1-CB 3.13Å; D173-K175 PolarHBondContact OD1-N 3.06Å
176V89.9Confident91.4Very high30 Ų3067.9 Ų67.918%0.18237%0.367CS..SBendtrans-90128.5177.3179.10000108.6Q170 D173 Q180Q170-V176 HydrophobicContact CB-CG1 4.29Å; Q170-V176 HydrophobicContact CB-CG2 4.24Å; Q170-V176 HydrophobicContact CG-CG2 4.32Å; Q170-V176 WeakPolarHBondContact O-CB 3.37Å; D173-V176 HydrophobicContact CB-CB 4.44Å; D173-V176 HydrophobicContact CB-CG2 3.86Å; D173-V176 PolarHBondContact O-N 3.21Å; V176-Q180 HydrophobicContact CG1-CB 3.84Å
177S93.1Very high91.5Very high56 Ų5668.8 Ų68.839%0.39237%0.374SS..  trans-74.4151.9176.362.80000111.9S179 Q180 S181S177-S179 PolarHBondContact O-N 3.19Å; S177-Q180 WeakPolarHBondContact O-CB 3.11Å; S177-Q180 PolarHBondContact O-N 3.18Å; S177-Q180 VanDerWaalsContact OG-CG 3.29Å; S177-Q180 WeakPolarHBondContact OG-CG 3.17Å; S177-Q180 PolarHBondContact OG-N 3.07Å; S177-Q180 PolarHBondContact OG-OE1 2.63Å; S177-S181 PolarHBondContact O-N 2.62Å
178D93.7Very high91.6Very high139 Ų13967.9 Ų67.974%0.74337%0.367SS*.Hα-helixtrans-50.7-43.2175.8-62.6-15.1000111.9Q180 S181 D182D178-Q180 VanDerWaalsContact C-N 3.32Å; D178-Q180 PolarHBondContact O-N 2.59Å; D178-S181 WeakPolarHBondContact O-CB 3.4Å; D178-S181 PolarHBondContact O-N 3.06Å; D178-D182 WeakPolarHBondContact O-CB 3.29Å; D178-D182 PolarHBondContact O-N 2.8Å
179S93.4Very high91.8Very high72 Ų7269.5 Ų69.550%0.50338%0.38SS..Hα-helixtrans-64.8-32.1178.4179.30000113.6S177 Q183S177-S179 PolarHBondContact O-N 3.19Å; S179-Q183 WeakPolarHBondContact O-CG 3.23Å; S179-Q183 PolarHBondContact O-N 2.84Å
180Q90.8Very high92Very high77 Ų7769 Ų6936%0.3638%0.379SS..Hα-helixtrans-75.2-43.3175.2-73.3169.4-54.400110.3L155 V176 S177 D178 D182 Q183 V184L155-Q180 HydrophobicContact CD2-CB 4.44Å; L155-Q180 HydrophobicContact CD2-CG 4.07Å; V176-Q180 HydrophobicContact CG1-CB 3.84Å; S177-Q180 WeakPolarHBondContact O-CB 3.11Å; S177-Q180 PolarHBondContact O-N 3.18Å; S177-Q180 VanDerWaalsContact OG-CG 3.29Å; S177-Q180 WeakPolarHBondContact OG-CG 3.17Å; S177-Q180 PolarHBondContact OG-N 3.07Å; S177-Q180 PolarHBondContact OG-OE1 2.63Å; D178-Q180 VanDerWaalsContact C-N 3.32Å; D178-Q180 PolarHBondContact O-N 2.59Å; Q180-D182 VanDerWaalsContact C-N 3.32Å; Q180-D182 PolarHBondContact O-N 3.15Å; Q180-Q183 PolarHBondContact O-N 3.08Å; Q180-Q183 VanDerWaalsContact O-N 3.12Å; Q180-V184 PolarHBondContact O-N 3.17Å
181S92.1Very high92.4Very high27 Ų2767 Ų6719%0.18937%0.37CS..Hα-helixtrans-54.5-48.1174.1-176.10000111.1S177 D178 Q183 V184 E185S177-S181 PolarHBondContact O-N 2.62Å; D178-S181 WeakPolarHBondContact O-CB 3.4Å; D178-S181 PolarHBondContact O-N 3.06Å; S181-Q183 VanDerWaalsContact C-N 3.28Å; S181-Q183 PolarHBondContact O-N 2.54Å; S181-V184 PolarHBondContact O-N 3.33Å; S181-V184 VanDerWaalsContact O-N 3.11Å; S181-E185 PolarHBondContact O-N 3.39Å
182D92.7Very high92.7Very high79 Ų7964.6 Ų64.642%0.42235%0.345SS..Hα-helixtrans-57.8-38.3177-78.4-0.2000112.9D178 Q180 R186D178-D182 WeakPolarHBondContact O-CB 3.29Å; D178-D182 PolarHBondContact O-N 2.8Å; Q180-D182 VanDerWaalsContact C-N 3.32Å; Q180-D182 PolarHBondContact O-N 3.15Å; D182-R186 WeakPolarHBondContact O-CB 3.23Å; D182-R186 WeakPolarHBondContact O-CD 3.16Å; D182-R186 WeakPolarHBondContact O-CG 3.03Å; D182-R186 PolarHBondContact O-N 3.26Å; D182-R186 VanDerWaalsContact O-N 3.15Å
183Q91.6Very high93.1Very high89 Ų8963.4 Ų63.442%0.41634%0.336SS..Hα-helixtrans-70.3-38.6178.3-73.7179.83700111.8L155 S179 Q180 S181 S187L155-Q183 HydrophobicContact CD1-CB 4.36Å; L155-Q183 HydrophobicContact CD2-CB 4.3Å; S179-Q183 WeakPolarHBondContact O-CG 3.23Å; S179-Q183 PolarHBondContact O-N 2.84Å; Q180-Q183 PolarHBondContact O-N 3.08Å; Q180-Q183 VanDerWaalsContact O-N 3.12Å; S181-Q183 VanDerWaalsContact C-N 3.28Å; S181-Q183 PolarHBondContact O-N 2.54Å; Q183-S187 WeakPolarHBondContact O-CB 3.46Å; Q183-S187 PolarHBondContact O-N 2.94Å; Q183-S187 PolarHBondContact O-OG 3.36Å
184V92.5Very high93.5Very high0 Ų061.6 Ų61.60%033%0.326CS..Hα-helixtrans-66.2-47.8175175.50000110.7L155 L162 A167 Q180 S181 R186 S187 A188L155-V184 HydrophobicContact CD1-CG2 3.36Å; L162-V184 HydrophobicContact CD1-CB 4.49Å; L162-V184 HydrophobicContact CD1-CG1 4.05Å; L162-V184 HydrophobicContact CD1-CG2 4.44Å; L162-V184 HydrophobicContact CD2-CG1 4.16Å; A167-V184 HydrophobicContact CB-CG1 4.05Å; Q180-V184 PolarHBondContact O-N 3.17Å; S181-V184 PolarHBondContact O-N 3.33Å; S181-V184 VanDerWaalsContact O-N 3.11Å; V184-R186 VanDerWaalsContact C-N 3.3Å; V184-R186 PolarHBondContact O-N 2.89Å; V184-S187 PolarHBondContact O-N 3.25Å; V184-A188 WeakPolarHBondContact O-CB 3.28Å; V184-A188 PolarHBondContact O-N 3.24Å
185E93Very high93.8Very high130 Ų13058.1 Ų58.161%0.60730%0.304SS*.Hα-helixtrans-52.5-48.9177.2-173.3-155.5127.500111.2S181 S187S181-E185 PolarHBondContact O-N 3.39Å; E185-S187 PolarHBondContact O-N 2.99Å; E185-S187 VanDerWaalsContact O-N 3.13Å
186R92.3Very high94Very high175 Ų17549.4 Ų49.466%0.6627%0.266SS*.Hα-helixtrans-64.8-17.5-179.3-73172.2-176.7-80.1-5.6114.4D182 V184D182-R186 WeakPolarHBondContact O-CB 3.23Å; D182-R186 WeakPolarHBondContact O-CD 3.16Å; D182-R186 WeakPolarHBondContact O-CG 3.03Å; D182-R186 PolarHBondContact O-N 3.26Å; D182-R186 VanDerWaalsContact O-N 3.15Å; V184-R186 VanDerWaalsContact C-N 3.3Å; V184-R186 PolarHBondContact O-N 2.89Å
187S93.8Very high94.2Very high33 Ų3348 Ų4823%0.23126%0.258CS..Hα-helixtrans-114.3-22.2-170-51.90000113.7G151 Q183 V184 E185 C189G151-S187 WeakPolarHBondContact CA-O 3.37Å; Q183-S187 WeakPolarHBondContact O-CB 3.46Å; Q183-S187 PolarHBondContact O-N 2.94Å; Q183-S187 PolarHBondContact O-OG 3.36Å; V184-S187 PolarHBondContact O-N 3.25Å; E185-S187 PolarHBondContact O-N 2.99Å; E185-S187 VanDerWaalsContact O-N 3.13Å; S187-C189 PolarHBondContact O-N 3.3Å
188A93.7Very high94.3Very high3 Ų345.3 Ų45.33%0.02524%0.239CC..Hα-helixtrans-64-38.1-171.100000114.1L162 D163 A167 V184 P190L162-A188 HydrophobicContact CB-CB 4.5Å; D163-A188 WeakPolarHBondContact O-CB 3.37Å; A167-A188 HydrophobicContact CB-CB 3.97Å; V184-A188 WeakPolarHBondContact O-CB 3.28Å; V184-A188 PolarHBondContact O-N 3.24Å; A188-P190 WeakPolarHBondContact O-CD 3.23Å
189C95.2Very high94.3Very high62 Ų6239.2 Ų39.242%0.41921%0.206SC..SBendtrans-122.375.3-179-64.60000110.2M148 S187 T191M148-C189 HydrophobicContact CE-CB 4.35Å; M148-C189 HydrophobicContact SD-CB 3.86Å; S187-C189 PolarHBondContact O-N 3.3Å; C189-T191 VanDerWaalsContact C-N 3.34Å; C189-T191 PolarHBondContact O-N 3.49Å
190P95.4Very high94.4Very high22 Ų2235.8 Ų35.814%0.14318%0.182CC..  trans-74.6-22.7-169.429.6-35.5000113.4E149 A188 R386 T387E149-P190 HydrophobicContact CB-CG 4.49Å; E149-P190 WeakPolarHBondContact O-CG 3.26Å; A188-P190 WeakPolarHBondContact O-CD 3.23Å; P190-R386 WeakPolarHBondContact O-CA 3.35Å; P190-R386 WeakPolarHBondContact O-CG 3.44Å; P190-T387 PolarHBondContact O-N 3Å
191T97.4Very high94.6Very high7 Ų732.3 Ų32.34%0.04317%0.166CC..BIsolated β-bridgetrans-135.6167-167.563.60000113.8M148 E149 C189 T224 I385 T387M148-T191 WeakPolarHBondContact CB-OG1 3.37Å; E149-T191 HydrophobicContact CB-CG2 4.2Å; E149-T191 HydrophobicContact CG-CG2 4.15Å; E149-T191 PolarHBondContact N-OG1 3.22Å; C189-T191 VanDerWaalsContact C-N 3.34Å; C189-T191 PolarHBondContact O-N 3.49Å; T191-T224 HydrophobicContact CG2-CG2 3.92Å; T191-I385 VanDerWaalsContact CG2-O 3.3Å; T191-I385 WeakPolarHBondContact CG2-O 3.4Å; T191-T387 CarbonylContact C-O 3.52Å; T191-T387 WeakPolarHBondContact CA-O 3.38Å; T191-T387 HydrophobicContact CG2-CG2 3.89Å
192C97.3Very high94.9Very high1 Ų131.1 Ų31.11%0.00716%0.157CC..SBendtrans-66155.2166.560.30000111.4V51 H52 M148 A223 T387V51-C192 HydrophobicContact CG1-CB 3.88Å; H52-C192 HydrophobicContact CB-CB 4Å; M148-C192 WeakPolarHBondContact CA-O 3.39Å; M148-C192 WeakPolarHBondContact CB-O 3.04Å; C192-A223 WeakPolarHBondContact O-CB 3.33Å; C192-T387 PolarHBondContact N-O 3.43Å
193G97.7Very high95.1Very high1 Ų127.3 Ų27.31%0.0114%0.137CC..SBendtrans126.4167.9-179.200000112.8P48 G49 G146 M148P48-G193 PolarHBondContact O-N 3.39Å; P48-G193 VanDerWaalsContact O-N 3.08Å; G49-G193 WeakPolarHBondContact CA-O 3.38Å; G49-G193 PolarHBondContact N-O 3.24Å; G146-G193 CarbonylContact O-C 3.58Å; G146-G193 WeakPolarHBondContact O-CA 3.49Å; M148-G193 WeakPolarHBondContact CE-O 3.38Å
194S97.3Very high95.4Very high1 Ų123.1 Ų23.11%0.00712%0.118CC..BIsolated β-bridgetrans-63.3162.7171.844.70000109.8N121 G146 P147 M148 N202N121-S194 PolarHBondContact ND2-N 3.23Å; N121-S194 VanDerWaalsContact ND2-N 3.13Å; N121-S194 PolarHBondContact OD1-OG 3.27Å; G146-S194 PolarHBondContact O-N 3.13Å; G146-S194 PolarHBondContact O-OG 2.81Å; P147-S194 VanDerWaalsContact CA-OG 3.31Å; P147-S194 WeakPolarHBondContact CA-OG 3.26Å; M148-S194 WeakPolarHBondContact CB-O 3.45Å; M148-S194 VanDerWaalsContact CG-O 3.23Å; M148-S194 WeakPolarHBondContact CG-O 3.07Å; M148-S194 PolarHBondContact N-O 3.08Å; S194-N202 PolarHBondContact OG-OD1 3.09Å
195C95.9Very high95.7Very high32 Ų3223.1 Ų23.122%0.21612%0.118CC..  trans-48.4150.5178.7-55.40000112.5G197 F199 N202C195-G197 PolarHBondContact O-N 2.86Å; C195-F199 HydrophobicContact CB-CD2 3.26Å; C195-F199 HydrophobicContact CB-CE2 3.62Å; C195-F199 HydrophobicContact CB-CG 4.35Å; C195-N202 PolarHBondContact O-ND2 3.48Å
196S96Very high95.9Very high2 Ų217 Ų171%0.0149%0.089CC..SBendtrans-76.7-20.3-173.253.10000114.7D163 H322 M323D163-S196 WeakPolarHBondContact CB-OG 3.35Å; S196-H322 PolarHBondContact OG-CD2 3.4Å; S196-M323 WeakPolarHBondContact O-CB 3.37Å; S196-M323 PolarHBondContact O-N 3.25Å
197G94.5Very high96.2Very high0 Ų08.6 Ų8.60%06%0.058CC..SBendtrans-83.6175.5177.800000114.6C195 F199 N202 A315C195-G197 PolarHBondContact O-N 2.86Å; G197-F199 PolarHBondContact O-N 3.36Å; G197-N202 PolarHBondContact O-ND2 3.29Å; G197-A315 CarbonylContact C-O 3.39Å
198M94.4Very high96.5Very high0 Ų07.1 Ų7.10%05%0.047CC..SBendtrans-79.857.3171.3-168.4657400110.8M275 V314 A315 M323 V326M198-M275 HydrophobicContact CE-CB 4.24Å; M198-M275 HydrophobicContact CE-CG 4.28Å; M198-M275 HydrophobicContact CE-SD 3.77Å; M198-M275 HydrophobicContact CG-CG 4.45Å; M198-M275 HydrophobicContact SD-CE 4.04Å; M198-M275 HydrophobicContact SD-CG 4.24Å; M198-M275 HydrophobicContact SD-SD 3.62Å; M198-M275 VanDerWaalsContact SD-SD 3.62Å; M198-V314 HydrophobicContact CB-CB 3.77Å; M198-V314 HydrophobicContact CB-CG1 3.99Å; M198-V314 HydrophobicContact CB-CG2 4.43Å; M198-V314 HydrophobicContact CE-CG2 4.17Å; M198-A315 PolarHBondContact N-O 3.4Å; M198-M323 HydrophobicContact CB-CE 4.41Å; M198-M323 HydrophobicContact CE-CE 3.3Å; M198-M323 HydrophobicContact CE-SD 4.16Å; M198-M323 HydrophobicContact SD-CE 3.61Å; M198-V326 HydrophobicContact CE-CG2 4.4Å
199F93.4Very high96.7Very high11 Ų117.5 Ų7.55%0.0485%0.048CC..SBendtrans-87.6-179.4171.7-46.7-26000109.8D163 V165 C195 G197 A201 N202 S203 P316D163-F199 HydrophobicContact CB-CZ 4.43Å; D163-F199 WeakPolarHBondContact OD2-CZ 3.41Å; V165-F199 HydrophobicContact CG2-CE1 4.07Å; V165-F199 HydrophobicContact CG2-CE2 4.12Å; V165-F199 HydrophobicContact CG2-CZ 3.55Å; C195-F199 HydrophobicContact CB-CD2 3.26Å; C195-F199 HydrophobicContact CB-CE2 3.62Å; C195-F199 HydrophobicContact CB-CG 4.35Å; G197-F199 PolarHBondContact O-N 3.36Å; F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.91Å; F199-N202 PolarHBondContact O-N 2.92Å; F199-S203 PolarHBondContact O-N 2.81Å; F199-S203 PolarHBondContact O-OG 2.98Å; F199-P316 HydrophobicContact CE1-CB 4.23Å; F199-P316 HydrophobicContact CE1-CG 4.26Å
200T94.8Very high96.9Very high0 Ų05 Ų50%03%0.032CC..Hα-helixtrans-58.3-40.1-170.4-33.20000113.7D123 N202 S203 M204 S278 N280D123-T200 WeakPolarHBondContact OD1-CB 3.37Å; D123-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D123-T200 WeakPolarHBondContact OD2-CB 3.34Å; D123-T200 PolarHBondContact OD2-OG1 3.15Å; T200-N202 PolarHBondContact O-N 3.09Å; T200-S203 PolarHBondContact O-N 2.94Å; T200-M204 HydrophobicContact CG2-CG 4.05Å; T200-M204 WeakPolarHBondContact O-CB 3.44Å; T200-M204 WeakPolarHBondContact O-CG 3.27Å; T200-M204 PolarHBondContact O-N 3.27Å; T200-S278 PolarHBondContact OG1-OG 3.46Å; T200-N280 HydrophobicContact CG2-CB 3.46Å; T200-N280 VanDerWaalsContact CG2-CB 3.46Å; T200-N280 PolarHBondContact OG1-ND2 3.24Å
201A96.4Very high97Very high4 Ų44 Ų43%0.0333%0.025CC..Hα-helixtrans-56.7-52.6179.600000111.6F199 M204 N205F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.91Å; A201-M204 PolarHBondContact O-N 2.92Å; A201-N205 WeakPolarHBondContact O-CB 3.32Å; A201-N205 PolarHBondContact O-N 2.9Å; A201-N205 PolarHBondContact O-ND2 3.32Å
202N97.3Very high97.1Very high1 Ų13.9 Ų3.91%0.0053%0.026CC..Hα-helixtrans-71.1-38.2178.6-69.7-15.8000112.2S194 C195 G197 F199 T200 M204 N205 C206 M323S194-N202 PolarHBondContact OG-OD1 3.09Å; C195-N202 PolarHBondContact O-ND2 3.48Å; G197-N202 PolarHBondContact O-ND2 3.29Å; F199-N202 PolarHBondContact O-N 2.92Å; T200-N202 PolarHBondContact O-N 3.09Å; N202-M204 VanDerWaalsContact C-N 3.35Å; N202-M204 PolarHBondContact O-N 2.82Å; N202-N205 PolarHBondContact O-N 2.76Å; N202-C206 WeakPolarHBondContact O-CB 3.42Å; N202-C206 PolarHBondContact O-N 3.49Å; N202-C206 PolarHBondContact O-SG 2.9Å; N202-M323 HydrophobicContact CB-CE 3.52Å
203S97.3Very high97.1Very high0 Ų03.8 Ų3.80%03%0.025CC..Hα-helixtrans-58.1-49174.6-55.70000110.5F199 T200 N205 C206 L207 S278 T281F199-S203 PolarHBondContact O-N 2.81Å; F199-S203 PolarHBondContact O-OG 2.98Å; T200-S203 PolarHBondContact O-N 2.94Å; S203-N205 PolarHBondContact O-N 3.43Å; S203-C206 WeakPolarHBondContact O-CB 3.4Å; S203-C206 PolarHBondContact O-N 2.81Å; S203-C206 VanDerWaalsContact O-N 3.13Å; S203-L207 VanDerWaalsContact O-CG 3.28Å; S203-L207 WeakPolarHBondContact O-CG 3.48Å; S203-L207 PolarHBondContact O-N 2.94Å; S203-S278 PolarHBondContact OG-N 3.25Å; S203-S278 VanDerWaalsContact OG-N 3.14Å; S203-T281 VanDerWaalsContact CB-CG2 3.42Å
204M98.1Very high97.2Very high0 Ų03.9 Ų3.90%03%0.026CC..Hα-helixtrans-63.3-38.2177.3-72.6-55.8-49.100113.1T126 P127 L130 T200 A201 N202 C206 L207 T208 T281 H284T126-M204 HydrophobicContact CG2-CB 3.94Å; P127-M204 HydrophobicContact CB-CE 4Å; P127-M204 HydrophobicContact CG-CG 4.48Å; L130-M204 HydrophobicContact CD2-CE 4.11Å; T200-M204 HydrophobicContact CG2-CG 4.05Å; T200-M204 WeakPolarHBondContact O-CB 3.44Å; T200-M204 WeakPolarHBondContact O-CG 3.27Å; T200-M204 PolarHBondContact O-N 3.27Å; A201-M204 PolarHBondContact O-N 2.92Å; N202-M204 VanDerWaalsContact C-N 3.35Å; N202-M204 PolarHBondContact O-N 2.82Å; M204-C206 VanDerWaalsContact C-N 3.31Å; M204-C206 PolarHBondContact O-N 2.87Å; M204-L207 PolarHBondContact O-N 3.4Å; M204-L207 VanDerWaalsContact O-N 3.16Å; M204-L207 HydrophobicContact SD-CD1 3.97Å; M204-T208 PolarHBondContact O-N 2.8Å; M204-T281 HydrophobicContact SD-CG2 4.13Å; M204-H284 HydrophobicContact CE-CB 4Å; M204-H284 HydrophobicContact SD-CB 3.53Å; M204-H284 VanDerWaalsContact SD-CB 3.53Å
205N98.1Very high97.2Very high0 Ų04.4 Ų4.40%03%0.028CC..Hα-helixtrans-64.5-35.1174.4-68.3-20.7000112.3N121 T126 A201 N202 S203 T208 N218N121-N205 PolarHBondContact O-ND2 3.42Å; N121-N205 PolarHBondContact OD1-ND2 2.89Å; N121-N205 VanDerWaalsContact OD1-ND2 3.07Å; T126-N205 PolarHBondContact OG1-OD1 3.27Å; T126-N205 VanDerWaalsContact OG1-OD1 3.06Å; A201-N205 WeakPolarHBondContact O-CB 3.32Å; A201-N205 PolarHBondContact O-N 2.9Å; A201-N205 PolarHBondContact O-ND2 3.32Å; N202-N205 PolarHBondContact O-N 2.76Å; S203-N205 PolarHBondContact O-N 3.43Å; N205-T208 PolarHBondContact O-OG1 3.41Å; N205-T208 VanDerWaalsContact O-OG1 3.13Å; N205-N218 PolarHBondContact O-ND2 2.68Å
206C98.6Very high97.3Very high1 Ų13.2 Ų3.21%0.0072%0.02CC..Hα-helixtrans-67.8-39170.8-68.80000111.5N202 S203 M204 E209 A210 L271 M275 V332N202-C206 WeakPolarHBondContact O-CB 3.42Å; N202-C206 PolarHBondContact O-N 3.49Å; N202-C206 PolarHBondContact O-SG 2.9Å; S203-C206 WeakPolarHBondContact O-CB 3.4Å; S203-C206 PolarHBondContact O-N 2.81Å; S203-C206 VanDerWaalsContact O-N 3.13Å; M204-C206 VanDerWaalsContact C-N 3.31Å; M204-C206 PolarHBondContact O-N 2.87Å; C206-E209 WeakPolarHBondContact O-CB 3.45Å; C206-E209 PolarHBondContact O-N 3.49Å; C206-A210 PolarHBondContact O-N 2.94Å; C206-L271 HydrophobicContact CB-CD2 4.14Å; C206-M275 HydrophobicContact CB-CE 4.02Å; C206-M275 HydrophobicContact CB-SD 4.09Å; C206-V332 HydrophobicContact CB-CG2 3.6Å; C206-V332 VanDerWaalsContact SG-CG2 3.52Å
207L98.6Very high97.4Very high0 Ų03.1 Ų3.10%02%0.019CC..Hα-helixtrans-69.7-34.1-179.8-64.3-179.6000113.3S203 M204 E209 A210 L211 A268 L271 D272 M275 T281 L285S203-L207 VanDerWaalsContact O-CG 3.28Å; S203-L207 WeakPolarHBondContact O-CG 3.48Å; S203-L207 PolarHBondContact O-N 2.94Å; M204-L207 PolarHBondContact O-N 3.4Å; M204-L207 VanDerWaalsContact O-N 3.16Å; M204-L207 HydrophobicContact SD-CD1 3.97Å; L207-E209 PolarHBondContact O-N 2.99Å; L207-A210 PolarHBondContact O-N 2.89Å; L207-L211 VanDerWaalsContact O-CB 3.29Å; L207-L211 WeakPolarHBondContact O-CB 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 2.79Å; L207-A268 HydrophobicContact CD2-CB 4.07Å; L207-A268 WeakPolarHBondContact CD2-O 3.32Å; L207-L271 HydrophobicContact CD2-CD2 3.9Å; L207-D272 HydrophobicContact CD2-CB 3.82Å; L207-M275 HydrophobicContact CD2-CE 4.38Å; L207-T281 HydrophobicContact CD1-CG2 3.65Å; L207-L285 HydrophobicContact CD1-CD1 3.94Å; L207-L285 HydrophobicContact CD1-CD2 4.26Å; L207-L285 HydrophobicContact CD1-CG 4.02Å
208T98.6Very high97.6Very high1 Ų13.3 Ų3.31%0.0062%0.02CC..Hα-helixtrans-65.8-30.4173.560.40000112T126 F142 M204 N205 G212 L213 S214T126-T208 HydrophobicContact CG2-CG2 3.63Å; F142-T208 HydrophobicContact CD1-CG2 4.13Å; F142-T208 HydrophobicContact CG-CG2 4.29Å; M204-T208 PolarHBondContact O-N 2.8Å; N205-T208 PolarHBondContact O-OG1 3.41Å; N205-T208 VanDerWaalsContact O-OG1 3.13Å; T208-G212 PolarHBondContact O-N 3.44Å; T208-L213 CarbonylContact O-C 3.51Å; T208-L213 WeakPolarHBondContact O-CA 3.44Å; T208-L213 PolarHBondContact O-N 3.13Å; T208-S214 WeakPolarHBondContact CB-OG 3.49Å; T208-S214 PolarHBondContact O-N 3.45Å; T208-S214 PolarHBondContact OG1-OG 3.06Å
209E98.5Very high97.8Very high11 Ų113.3 Ų3.35%0.0512%0.02CC..Hα-helixtrans-70.7-45171.7-171.6173.815300111.3C206 L207 L211 G212 P216 G217 N218 G219 V332C206-E209 WeakPolarHBondContact O-CB 3.45Å; C206-E209 PolarHBondContact O-N 3.49Å; L207-E209 PolarHBondContact O-N 2.99Å; E209-L211 PolarHBondContact O-N 2.96Å; E209-G212 WeakPolarHBondContact O-CA 3.46Å; E209-G212 PolarHBondContact O-N 2.87Å; E209-P216 VanDerWaalsContact OE1-CA 3.26Å; E209-P216 WeakPolarHBondContact OE1-CA 3.49Å; E209-G217 PolarHBondContact OE1-N 3.09Å; E209-G217 PolarHBondContact OE2-N 3.01Å; E209-N218 PolarHBondContact OE2-N 3.5Å; E209-G219 PolarHBondContact OE2-N 3.2Å; E209-V332 HydrophobicContact CB-CG1 4.04Å; E209-V332 HydrophobicContact CB-CG2 4.42Å; E209-V332 HydrophobicContact CG-CB 4.17Å; E209-V332 HydrophobicContact CG-CG1 3.81Å; E209-V332 WeakPolarHBondContact OE1-CB 2.99Å
210A98.6Very high98Very high9 Ų92.8 Ų2.87%0.0742%0.018CC..Hα-helixtrans-67.4-34177.300000113.9C206 L207 G212 A268 L271C206-A210 PolarHBondContact O-N 2.94Å; L207-A210 PolarHBondContact O-N 2.89Å; A210-G212 PolarHBondContact O-N 2.69Å; A210-A268 HydrophobicContact CB-CB 4.1Å; A210-L271 HydrophobicContact CB-CB 4.35Å; A210-L271 HydrophobicContact CB-CD1 4.29Å; A210-L271 HydrophobicContact CB-CD2 4.2Å
211L98.7Very high98.2Very high1 Ų12.8 Ų2.81%0.0052%0.018CC..THydrogen-bonded Turntrans-68.2-11.7170.7-73.2168.7000112.4L130 L207 E209 L213 A260 A264 F265 A268 L285L130-L211 HydrophobicContact CD1-CD1 4.32Å; L130-L211 HydrophobicContact CD2-CD1 3.88Å; L207-L211 VanDerWaalsContact O-CB 3.29Å; L207-L211 WeakPolarHBondContact O-CB 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 2.79Å; E209-L211 PolarHBondContact O-N 2.96Å; L211-L213 HydrophobicContact CB-CG 4.45Å; L211-A260 HydrophobicContact CB-CB 4.38Å; L211-A260 HydrophobicContact CD2-CB 4.24Å; L211-A264 HydrophobicContact CD2-CB 4.45Å; L211-F265 HydrophobicContact CD2-CD1 4.35Å; L211-F265 HydrophobicContact CD2-CD2 3.88Å; L211-F265 HydrophobicContact CD2-CE2 4.09Å; L211-F265 HydrophobicContact CD2-CG 4.03Å; L211-F265 HydrophobicContact CD2-CZ 4.42Å; L211-A268 HydrophobicContact CD2-CB 3.81Å; L211-A268 HydrophobicContact CG-CB 3.86Å; L211-L285 HydrophobicContact CD1-CD2 4.37Å
212G98.6Very high98.3Very high5 Ų52.7 Ų2.75%0.0522%0.017CC..THydrogen-bonded Turntrans83.18.6-179.400000114.7T208 E209 A210 I259 N351 V352T208-G212 PolarHBondContact O-N 3.44Å; E209-G212 WeakPolarHBondContact O-CA 3.46Å; E209-G212 PolarHBondContact O-N 2.87Å; A210-G212 PolarHBondContact O-N 2.69Å; G212-I259 WeakPolarHBondContact O-CG2 3.48Å; G212-N351 CarbonylContact O-C 3.48Å; G212-N351 VanDerWaalsContact O-CA 3.28Å; G212-N351 WeakPolarHBondContact O-CA 3.31Å; G212-N351 WeakPolarHBondContact O-CB 3.4Å; G212-V352 WeakPolarHBondContact O-CG1 3.11Å; G212-V352 PolarHBondContact O-N 3.42Å
213L98.8Very high98.4Very high0 Ų02.7 Ų2.70%02%0.017CC..SBendtrans-90.1-10-179.5-62.1177.6000113.6L130 V140 F142 T208 L211 P256 I259 A260L130-L213 HydrophobicContact CD1-CD1 3.47Å; L130-L213 VanDerWaalsContact CD1-CD1 3.47Å; V140-L213 HydrophobicContact CG1-CD2 4.18Å; F142-L213 HydrophobicContact CD2-CB 4Å; F142-L213 HydrophobicContact CE2-CD1 4.39Å; F142-L213 PolarHBondContact N-O 2.48Å; T208-L213 CarbonylContact O-C 3.51Å; T208-L213 WeakPolarHBondContact O-CA 3.44Å; T208-L213 PolarHBondContact O-N 3.13Å; L211-L213 HydrophobicContact CB-CG 4.45Å; L213-P256 HydrophobicContact CD2-CB 3.98Å; L213-I259 HydrophobicContact CD2-CB 4.03Å; L213-I259 HydrophobicContact CD2-CG2 3.75Å; L213-I259 HydrophobicContact CG-CG2 4.38Å; L213-A260 HydrophobicContact CD1-CB 4.09Å; L213-A260 HydrophobicContact CG-CB 4.35Å
214S98.7Very high98.4Very high3 Ų32.7 Ų2.72%0.0212%0.017CC..BIsolated β-bridgetrans-119.8160.8172.5-64.30000111.4F142 T208 N218F142-S214 WeakPolarHBondContact CB-OG 3.3Å; F142-S214 PolarHBondContact O-OG 3.24Å; T208-S214 WeakPolarHBondContact CB-OG 3.49Å; T208-S214 PolarHBondContact O-N 3.45Å; T208-S214 PolarHBondContact OG1-OG 3.06Å; S214-N218 WeakPolarHBondContact CB-ND2 3.36Å; S214-N218 PolarHBondContact OG-ND2 2.94Å
215Q97.9Very high98.4Very high11 Ų112.7 Ų2.75%0.0512%0.017CC..  trans-82156.2177-58.917778.700111.4I141 G217 N218 L231 V352 L353I141-Q215 HydrophobicContact CD1-CG 3.99Å; Q215-G217 PolarHBondContact O-N 3.24Å; Q215-N218 WeakPolarHBondContact O-CB 3.42Å; Q215-N218 PolarHBondContact O-N 2.98Å; Q215-N218 VanDerWaalsContact O-N 3.13Å; Q215-L231 PolarHBondContact NE2-O 3.48Å; Q215-V352 HydrophobicContact CG-CG2 4.3Å; Q215-L353 HydrophobicContact CG-CD2 4.16Å
216P98.3Very high98.5Very high8 Ų84.3 Ų4.35%0.0523%0.031CC..THydrogen-bonded Turntrans-49.8130.8172.4-31.439000113.4E209 I333 L353 T360 Y364E209-P216 VanDerWaalsContact OE1-CA 3.26Å; E209-P216 WeakPolarHBondContact OE1-CA 3.49Å; P216-I333 HydrophobicContact CB-CD1 4.31Å; P216-I333 HydrophobicContact CB-CG1 3.97Å; P216-I333 HydrophobicContact CG-CD1 4.29Å; P216-I333 HydrophobicContact CG-CG1 4.42Å; P216-L353 HydrophobicContact CG-CD1 4.18Å; P216-T360 HydrophobicContact CG-CG2 4.29Å; P216-Y364 HydrophobicContact CB-CD1 3.59Å; P216-Y364 HydrophobicContact CB-CD2 4.23Å; P216-Y364 HydrophobicContact CB-CE1 3.94Å; P216-Y364 HydrophobicContact CB-CG 3.75Å; P216-Y364 HydrophobicContact CG-CD1 3.93Å; P216-Y364 HydrophobicContact CG-CD2 3.67Å; P216-Y364 HydrophobicContact CG-CE1 4.06Å; P216-Y364 HydrophobicContact CG-CE2 3.82Å; P216-Y364 HydrophobicContact CG-CG 3.73Å
217G98.2Very high98.4Very high0 Ų06.2 Ų6.20%04%0.041CC..THydrogen-bonded Turntrans91.2-8-179.100000114.9E209 Q215 G219 S220 L221E209-G217 PolarHBondContact OE1-N 3.09Å; E209-G217 PolarHBondContact OE2-N 3.01Å; Q215-G217 PolarHBondContact O-N 3.24Å; G217-G219 VanDerWaalsContact C-N 3.33Å; G217-G219 PolarHBondContact O-N 3.26Å; G217-S220 PolarHBondContact O-N 2.75Å; G217-L221 VanDerWaalsContact O-CB 3.23Å; G217-L221 WeakPolarHBondContact O-CB 3.38Å; G217-L221 PolarHBondContact O-N 3.43Å; G217-L221 VanDerWaalsContact O-N 3.07Å
218N98.5Very high98.4Very high3 Ų36.2 Ų6.22%0.0164%0.041CC..THydrogen-bonded Turntrans-57.8-42.8176.3178.180.5000112.8V143 S144 N205 E209 S214 Q215 S220 R228V143-N218 WeakPolarHBondContact CA-OD1 3.37Å; S144-N218 PolarHBondContact N-OD1 2.82Å; S144-N218 PolarHBondContact OG-O 2.87Å; S144-N218 PolarHBondContact OG-OD1 2.57Å; N205-N218 PolarHBondContact O-ND2 2.68Å; E209-N218 PolarHBondContact OE2-N 3.5Å; S214-N218 WeakPolarHBondContact CB-ND2 3.36Å; S214-N218 PolarHBondContact OG-ND2 2.94Å; Q215-N218 WeakPolarHBondContact O-CB 3.42Å; Q215-N218 PolarHBondContact O-N 2.98Å; Q215-N218 VanDerWaalsContact O-N 3.13Å; N218-S220 VanDerWaalsContact C-N 3.35Å; N218-S220 PolarHBondContact O-N 3.15Å; N218-R228 PolarHBondContact O-NH2 2.79Å
219G97.8Very high98.4Very high0 Ų010.9 Ų10.90%06%0.061CC..THydrogen-bonded Turntrans-68.2-29.8-175.600000114.3E209 G217E209-G219 PolarHBondContact OE2-N 3.2Å; G217-G219 VanDerWaalsContact C-N 3.33Å; G217-G219 PolarHBondContact O-N 3.26Å
220S98.3Very high98.4Very high0 Ų015 Ų150%08%0.08CC..THydrogen-bonded Turntrans-126.3-22.2-163.8610000116.4P147 G217 N218 L222 H327 G331P147-S220 WeakPolarHBondContact CG-O 3.42Å; G217-S220 PolarHBondContact O-N 2.75Å; N218-S220 VanDerWaalsContact C-N 3.35Å; N218-S220 PolarHBondContact O-N 3.15Å; S220-L222 PolarHBondContact O-N 3.33Å; S220-H327 PolarHBondContact OG-ND1 3.38Å; S220-G331 WeakPolarHBondContact OG-CA 3.33Å
221L98.6Very high98.4Very high1 Ų115.1 Ų15.11%0.0058%0.079CC..SBendtrans-65.4135.4-176.4-179.258.6000111.4P147 G217 H225 D227 R228 L231 H327 A380P147-L221 VanDerWaalsContact CD-O 3.27Å; P147-L221 WeakPolarHBondContact CD-O 3.15Å; G217-L221 VanDerWaalsContact O-CB 3.23Å; G217-L221 WeakPolarHBondContact O-CB 3.38Å; G217-L221 PolarHBondContact O-N 3.43Å; G217-L221 VanDerWaalsContact O-N 3.07Å; L221-H225 HydrophobicContact CD1-CB 4.29Å; L221-D227 HydrophobicContact CD1-CB 4.47Å; L221-D227 HydrophobicContact CD2-CB 4.06Å; L221-R228 HydrophobicContact CD2-CB 3.83Å; L221-R228 HydrophobicContact CG-CB 4.05Å; L221-R228 PolarHBondContact O-NE 2.93Å; L221-R228 PolarHBondContact O-NH2 3.44Å; L221-L231 HydrophobicContact CD2-CD1 3.98Å; L221-L231 HydrophobicContact CD2-CG 4.38Å; L221-H327 WeakPolarHBondContact CA-ND1 3.29Å; L221-H327 WeakPolarHBondContact CD1-NE2 3.36Å; L221-H327 PolarHBondContact N-ND1 3.44Å; L221-A380 HydrophobicContact CD1-CB 3.4Å; L221-A380 VanDerWaalsContact CD1-CB 3.4Å
222L98.6Very high98.4Very high2 Ų215 Ų151%0.018%0.079CC..  trans-64.8147-175.3-69.1164.4000113.5P147 E149 S220 T224 H225 R228 E324 P382P147-L222 HydrophobicContact CB-CD2 4.41Å; P147-L222 HydrophobicContact CG-CD2 4.21Å; E149-L222 HydrophobicContact CG-CD1 4.03Å; E149-L222 HydrophobicContact CG-CD2 4.18Å; S220-L222 PolarHBondContact O-N 3.33Å; L222-T224 PolarHBondContact O-N 3.3Å; L222-H225 HydrophobicContact CB-CB 4.18Å; L222-H225 PolarHBondContact O-N 3.43Å; L222-R228 WeakPolarHBondContact O-CD 3.45Å; L222-R228 PolarHBondContact O-NE 3.49Å; L222-E324 HydrophobicContact CD1-CB 3.96Å; L222-E324 HydrophobicContact CD2-CB 4.17Å; L222-E324 HydrophobicContact CG-CB 4.32Å; L222-P382 HydrophobicContact CD1-CB 4.02Å
223A98.5Very high98.4Very high0 Ų016.3 Ų16.30%08%0.084CC..SBendtrans-59.3-36.1176.100000112.8G145 P147 C192 F391G145-A223 WeakPolarHBondContact O-CA 3.43Å; G145-A223 WeakPolarHBondContact O-CB 3.39Å; P147-A223 WeakPolarHBondContact O-CB 3.38Å; P147-A223 PolarHBondContact O-N 2.88Å; C192-A223 WeakPolarHBondContact O-CB 3.33Å; A223-F391 PolarHBondContact O-N 2.99Å
224T98.4Very high98.4Very high0 Ų018.9 Ų18.90%010%0.098CC..SBendtrans-82-19.6-177.352.90000113.3E149 T191 L222 T387 F391 S392 Q393E149-T224 PolarHBondContact OE1-OG1 2.88Å; T191-T224 HydrophobicContact CG2-CG2 3.92Å; L222-T224 PolarHBondContact O-N 3.3Å; T224-T387 HydrophobicContact CG2-CG2 3.58Å; T224-F391 CarbonylContact O-C 3.45Å; T224-F391 WeakPolarHBondContact O-CA 3.39Å; T224-F391 PolarHBondContact O-N 2.9Å; T224-S392 PolarHBondContact O-N 3.27Å; T224-Q393 PolarHBondContact O-N 3.46Å; T224-Q393 VanDerWaalsContact O-N 3.11Å; T224-Q393 PolarHBondContact OG1-NE2 2.93Å
225H98.6Very high98.4Very high0 Ų018.8 Ų18.80%010%0.097CC..BIsolated β-bridgetrans-78.3136.2-173.9-167.4-83.5000111.7L221 L222 D227 R228 A380 Q393 C395L221-H225 HydrophobicContact CD1-CB 4.29Å; L222-H225 HydrophobicContact CB-CB 4.18Å; L222-H225 PolarHBondContact O-N 3.43Å; H225-D227 VanDerWaalsContact C-N 3.28Å; H225-D227 VanDerWaalsContact CE1-CG 3.45Å; H225-D227 IonicContact CE1-OD1 2.72Å; H225-D227 IonicContact CE1-OD2 3.8Å; H225-D227 PolarHBondContact ND1-N 3.18Å; H225-D227 IonicContact ND1-OD1 3.25Å; H225-D227 IonicContact ND1-OD2 3.51Å; H225-D227 PolarHBondContact O-N 3.11Å; H225-R228 WeakPolarHBondContact O-CB 3.37Å; H225-R228 PolarHBondContact O-N 3.38Å; H225-A380 WeakPolarHBondContact CE1-CB 3.3Å; H225-A380 WeakPolarHBondContact ND1-CB 3.35Å; H225-A380 WeakPolarHBondContact NE2-CB 3.43Å; H225-Q393 CarbonylContact C-O 3.58Å; H225-Q393 VanDerWaalsContact CA-O 3.31Å; H225-Q393 WeakPolarHBondContact CA-O 3.18Å; H225-C395 PolarHBondContact CD2-O 3.07Å; H225-C395 VanDerWaalsContact CD2-O 3.23Å; H225-C395 PolarHBondContact NE2-O 3.09Å; H225-C395 VanDerWaalsContact NE2-O 3.09Å
226A98.3Very high98.4Very high35 Ų3518.2 Ų18.229%0.28910%0.095SC..THydrogen-bonded Turntrans-56.8-38.4-17300000113.3R228 K229 Q393 D394A226-R228 PolarHBondContact O-N 2.86Å; A226-R228 VanDerWaalsContact O-N 3.11Å; A226-K229 VanDerWaalsContact O-CB 3.26Å; A226-K229 WeakPolarHBondContact O-CB 3.34Å; A226-K229 PolarHBondContact O-N 2.8Å; A226-K229 VanDerWaalsContact O-N 3.08Å; A226-Q393 PolarHBondContact N-O 2.85Å; A226-D394 HydrophobicContact CB-CB 3.99Å
227D98.3Very high98.4Very high41 Ų4123.2 Ų23.222%0.21912%0.116CC..THydrogen-bonded Turntrans-58.3-25.7179.1-68.84.4000113.4L221 H225 K229 Q230 R396L221-D227 HydrophobicContact CD1-CB 4.47Å; L221-D227 HydrophobicContact CD2-CB 4.06Å; H225-D227 VanDerWaalsContact C-N 3.28Å; H225-D227 VanDerWaalsContact CE1-CG 3.45Å; H225-D227 IonicContact CE1-OD1 2.72Å; H225-D227 IonicContact CE1-OD2 3.8Å; H225-D227 PolarHBondContact ND1-N 3.18Å; H225-D227 IonicContact ND1-OD1 3.25Å; H225-D227 IonicContact ND1-OD2 3.51Å; H225-D227 PolarHBondContact O-N 3.11Å; D227-K229 PolarHBondContact O-N 3.46Å; D227-Q230 VanDerWaalsContact O-CB 3.32Å; D227-Q230 WeakPolarHBondContact O-CB 3.42Å; D227-Q230 PolarHBondContact O-N 3.33Å; D227-R396 IonicContact OD1-CZ 2.86Å; D227-R396 IonicContact OD1-NH2 3.5Å; D227-R396 PolarHBondContact OD1-NH2 3.08Å; D227-R396 IonicContact OD2-CZ 2.72Å; D227-R396 VanDerWaalsContact OD2-CZ 3.25Å; D227-R396 IonicContact OD2-NH1 3.09Å; D227-R396 PolarHBondContact OD2-NH1 3.36Å; D227-R396 IonicContact OD2-NH2 2.89Å; D227-R396 PolarHBondContact OD2-NH2 3.3Å
228R98.3Very high98.4Very high0 Ų026.4 Ų26.40%013%0.128CC..Hα-helixtrans-63.2-26.7179.7-176167.1-89.1-83-2.7111.8S144 G145 N218 L221 L222 H225 A226 Q230 L231 F232 F391S144-R228 PolarHBondContact O-NH1 2.79Å; S144-R228 PolarHBondContact OG-NH1 3.21Å; G145-R228 WeakPolarHBondContact O-CD 3.38Å; N218-R228 PolarHBondContact O-NH2 2.79Å; L221-R228 HydrophobicContact CD2-CB 3.83Å; L221-R228 HydrophobicContact CG-CB 4.05Å; L221-R228 PolarHBondContact O-NE 2.93Å; L221-R228 PolarHBondContact O-NH2 3.44Å; L222-R228 WeakPolarHBondContact O-CD 3.45Å; L222-R228 PolarHBondContact O-NE 3.49Å; H225-R228 WeakPolarHBondContact O-CB 3.37Å; H225-R228 PolarHBondContact O-N 3.38Å; A226-R228 PolarHBondContact O-N 2.86Å; A226-R228 VanDerWaalsContact O-N 3.11Å; R228-Q230 PolarHBondContact O-N 2.7Å; R228-L231 HydrophobicContact CG-CD1 4.39Å; R228-L231 WeakPolarHBondContact O-CB 3.36Å; R228-L231 PolarHBondContact O-N 2.84Å; R228-F232 HydrophobicContact CG-CD2 4.35Å; R228-F232 HydrophobicContact CG-CE2 4Å; R228-F232 WeakPolarHBondContact O-CD2 3.31Å; R228-F391 HydrophobicContact CB-CD1 4.01Å; R228-F391 HydrophobicContact CB-CE1 3.77Å; R228-F391 HydrophobicContact CG-CE1 3.9Å
229K98.4Very high98.4Very high98 Ų9826.3 Ų26.343%0.42613%0.127SC..Hα-helixtrans-53.7-37.6173.1-171.6178.6-179.8178.50111.4L59 A226 D227 L231 F232 L233 F391L59-K229 HydrophobicContact CD2-CG 3.98Å; A226-K229 VanDerWaalsContact O-CB 3.26Å; A226-K229 WeakPolarHBondContact O-CB 3.34Å; A226-K229 PolarHBondContact O-N 2.8Å; A226-K229 VanDerWaalsContact O-N 3.08Å; D227-K229 PolarHBondContact O-N 3.46Å; K229-L231 VanDerWaalsContact C-N 3.28Å; K229-L231 PolarHBondContact O-N 2.91Å; K229-F232 PolarHBondContact O-N 3.49Å; K229-L233 HydrophobicContact CG-CD1 4.32Å; K229-L233 HydrophobicContact CG-CG 4.44Å; K229-L233 WeakPolarHBondContact O-CG 3.28Å; K229-L233 PolarHBondContact O-N 3.05Å; K229-F391 HydrophobicContact CB-CD1 4.01Å; K229-F391 HydrophobicContact CB-CD2 3.83Å; K229-F391 HydrophobicContact CB-CE1 4.1Å; K229-F391 HydrophobicContact CB-CE2 3.88Å; K229-F391 HydrophobicContact CB-CG 3.9Å; K229-F391 HydrophobicContact CB-CZ 4.03Å; K229-F391 HydrophobicContact CD-CD2 4.29Å; K229-F391 HydrophobicContact CG-CD2 4.05Å; K229-F391 HydrophobicContact CG-CE2 3.94Å; K229-F391 HydrophobicContact CG-CZ 4.43Å
230Q98.1Very high98.5Very high99 Ų9926.4 Ų26.446%0.46313%0.128SC..Hα-helixtrans-65.3-31.9-179.3-165.358.949.100112.5D227 R228 L233 N234D227-Q230 VanDerWaalsContact O-CB 3.32Å; D227-Q230 WeakPolarHBondContact O-CB 3.42Å; D227-Q230 PolarHBondContact O-N 3.33Å; R228-Q230 PolarHBondContact O-N 2.7Å; Q230-L233 PolarHBondContact O-N 2.96Å; Q230-N234 PolarHBondContact NE2-OD1 2.87Å; Q230-N234 VanDerWaalsContact O-CB 3.27Å; Q230-N234 WeakPolarHBondContact O-CB 3.37Å; Q230-N234 PolarHBondContact O-N 3.32Å; Q230-N234 PolarHBondContact O-ND2 3.01Å
231L98.3Very high98.5Very high10 Ų1030 Ų305%0.05214%0.144CC..Hα-helixtrans-63.3-42.8175.7-60.4-176.6000111.4V143 Q215 L221 R228 K229 A235V143-L231 HydrophobicContact CG2-CB 4.15Å; Q215-L231 PolarHBondContact NE2-O 3.48Å; L221-L231 HydrophobicContact CD2-CD1 3.98Å; L221-L231 HydrophobicContact CD2-CG 4.38Å; R228-L231 HydrophobicContact CG-CD1 4.39Å; R228-L231 WeakPolarHBondContact O-CB 3.36Å; R228-L231 PolarHBondContact O-N 2.84Å; K229-L231 VanDerWaalsContact C-N 3.28Å; K229-L231 PolarHBondContact O-N 2.91Å; L231-A235 WeakPolarHBondContact O-CB 3.34Å; L231-A235 PolarHBondContact O-N 2.95Å
232F98.6Very high98.5Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-65.2-45175.6-74.5-90.4000111.9L56 L59 V60 I119 V143 S144 R228 K229 N234 A235 G236 F391L56-F232 HydrophobicContact CB-CD1 4.07Å; L56-F232 HydrophobicContact CB-CE1 3.87Å; L56-F232 HydrophobicContact CB-CZ 4.48Å; L56-F232 HydrophobicContact CD1-CD1 4.32Å; L56-F232 HydrophobicContact CD1-CD2 4.48Å; L56-F232 HydrophobicContact CD1-CE1 3.65Å; L56-F232 HydrophobicContact CD1-CE2 3.85Å; L56-F232 HydrophobicContact CD1-CZ 3.39Å; L56-F232 HydrophobicContact CG-CE1 4.36Å; L59-F232 HydrophobicContact CD2-CB 3.84Å; V60-F232 HydrophobicContact CG2-CB 4.14Å; V60-F232 HydrophobicContact CG2-CD1 3.81Å; V60-F232 HydrophobicContact CG2-CG 4.49Å; I119-F232 HydrophobicContact CD1-CE1 4.45Å; I119-F232 HydrophobicContact CG1-CE1 4.45Å; I119-F232 HydrophobicContact CG2-CE1 3.86Å; V143-F232 HydrophobicContact CG1-CD1 3.85Å; V143-F232 HydrophobicContact CG1-CE1 3.91Å; V143-F232 HydrophobicContact CG2-CD1 3.81Å; V143-F232 HydrophobicContact CG2-CD2 3.9Å; V143-F232 HydrophobicContact CG2-CE1 3.85Å; V143-F232 HydrophobicContact CG2-CE2 3.93Å; V143-F232 HydrophobicContact CG2-CG 3.83Å; V143-F232 HydrophobicContact CG2-CZ 3.9Å; S144-F232 WeakPolarHBondContact O-CZ 3.42Å; R228-F232 HydrophobicContact CG-CD2 4.35Å; R228-F232 HydrophobicContact CG-CE2 4Å; R228-F232 WeakPolarHBondContact O-CD2 3.31Å; K229-F232 PolarHBondContact O-N 3.49Å; F232-N234 PolarHBondContact O-N 3.17Å; F232-A235 PolarHBondContact O-N 3.35Å; F232-G236 PolarHBondContact O-N 3.03Å; F232-F391 HydrophobicContact CD2-CE1 4.22Å; F232-F391 AromaticContact CD2-CZ 3.78Å; F232-F391 HydrophobicContact CD2-CZ 3.78Å; F232-F391 HydrophobicContact CE2-CE1 4.29Å; F232-F391 HydrophobicContact CE2-CZ 4.04Å
233L98.6Very high98.5Very high31 Ų3129.9 Ų29.916%0.16214%0.144CC..Hα-helixtrans-60.8-47.4178.2-65.8175.7000111.3L59 Q63 K229 Q230 A235 G236 K237L59-L233 HydrophobicContact CD1-CD2 3.85Å; L59-L233 HydrophobicContact CD2-CD2 4.31Å; L59-L233 HydrophobicContact CG-CD2 3.95Å; Q63-L233 HydrophobicContact CG-CB 4.26Å; Q63-L233 HydrophobicContact CG-CD2 3.53Å; K229-L233 HydrophobicContact CG-CD1 4.32Å; K229-L233 HydrophobicContact CG-CG 4.44Å; K229-L233 WeakPolarHBondContact O-CG 3.28Å; K229-L233 PolarHBondContact O-N 3.05Å; Q230-L233 PolarHBondContact O-N 2.96Å; L233-A235 VanDerWaalsContact C-N 3.31Å; L233-A235 PolarHBondContact O-N 3.09Å; L233-G236 PolarHBondContact O-N 3.31Å; L233-K237 PolarHBondContact O-N 3.06Å
234N98.3Very high98.5Very high55 Ų5532.8 Ų32.829%0.29416%0.157SC..Hα-helixtrans-63.8-37.2178.4-70.3-12.2000111.8Q230 F232 K237 R238Q230-N234 PolarHBondContact NE2-OD1 2.87Å; Q230-N234 VanDerWaalsContact O-CB 3.27Å; Q230-N234 WeakPolarHBondContact O-CB 3.37Å; Q230-N234 PolarHBondContact O-N 3.32Å; Q230-N234 PolarHBondContact O-ND2 3.01Å; F232-N234 PolarHBondContact O-N 3.17Å; N234-K237 PolarHBondContact O-N 2.98Å; N234-R238 WeakPolarHBondContact O-CB 3.47Å; N234-R238 PolarHBondContact O-N 3.02Å
235A98.7Very high98.4Very high0 Ų035.1 Ų35.10%017%0.165CC..Hα-helixtrans-61.2-46.4178.400000111.6V117 I141 V143 L231 F232 L233 K237 R238 I239V117-A235 HydrophobicContact CG1-CB 4.33Å; I141-A235 HydrophobicContact CG2-CB 4.13Å; V143-A235 HydrophobicContact CB-CB 4.01Å; V143-A235 HydrophobicContact CG1-CB 3.96Å; L231-A235 WeakPolarHBondContact O-CB 3.34Å; L231-A235 PolarHBondContact O-N 2.95Å; F232-A235 PolarHBondContact O-N 3.35Å; L233-A235 VanDerWaalsContact C-N 3.31Å; L233-A235 PolarHBondContact O-N 3.09Å; A235-K237 VanDerWaalsContact C-N 3.34Å; A235-K237 PolarHBondContact O-N 3.38Å; A235-R238 PolarHBondContact O-N 3.1Å; A235-I239 WeakPolarHBondContact O-CG2 3.29Å; A235-I239 PolarHBondContact O-N 3.4Å
236G98.6Very high98.4Very high0 Ų037.1 Ų37.10%017%0.173CC..Hα-helixtrans-63.5-36.1177.700000113.6I64 F232 L233 I239I64-G236 VanDerWaalsContact CG1-O 3.3Å; I64-G236 WeakPolarHBondContact CG1-O 3.47Å; F232-G236 PolarHBondContact O-N 3.03Å; L233-G236 PolarHBondContact O-N 3.31Å; G236-I239 VanDerWaalsContact O-CG2 3.3Å; G236-I239 WeakPolarHBondContact O-CG2 3.43Å
237K98.5Very high98.4Very high113 Ų11335.9 Ų35.949%0.49116%0.161SC..Hα-helixtrans-70.4-50.6173.3-176-176.6175.5-172.40112.1A67 L233 N234 A235 I239 V240 E241A67-K237 HydrophobicContact CB-CG 4.42Å; L233-K237 PolarHBondContact O-N 3.06Å; N234-K237 PolarHBondContact O-N 2.98Å; A235-K237 VanDerWaalsContact C-N 3.34Å; A235-K237 PolarHBondContact O-N 3.38Å; K237-I239 VanDerWaalsContact C-N 3.33Å; K237-I239 PolarHBondContact O-N 2.99Å; K237-V240 PolarHBondContact O-N 3.44Å; K237-E241 VanDerWaalsContact CE-OE1 3.26Å; K237-E241 WeakPolarHBondContact CE-OE1 2.99Å; K237-E241 PolarHBondContact O-N 3.49Å
238R98.4Very high98.4Very high67 Ų6738.2 Ų38.225%0.25317%0.171SC..Hα-helixtrans-66.2-34.2-171.5-173.164.963.1139.15.9112.5I141 N234 A235 V240 E241 L242 V352 L353I141-R238 HydrophobicContact CD1-CB 3.95Å; I141-R238 HydrophobicContact CD1-CG 3.88Å; N234-R238 WeakPolarHBondContact O-CB 3.47Å; N234-R238 PolarHBondContact O-N 3.02Å; A235-R238 PolarHBondContact O-N 3.1Å; R238-V240 VanDerWaalsContact C-N 3.27Å; R238-V240 PolarHBondContact O-N 2.93Å; R238-E241 VanDerWaalsContact CD-OE2 3.29Å; R238-E241 WeakPolarHBondContact CD-OE2 3.46Å; R238-E241 IonicContact CZ-OE2 3.31Å; R238-E241 IonicContact NE-OE2 3.33Å; R238-E241 PolarHBondContact NE-OE2 3.44Å; R238-E241 WeakPolarHBondContact O-CB 3.19Å; R238-E241 PolarHBondContact O-N 3.21Å; R238-E241 VanDerWaalsContact O-N 3.14Å; R238-L242 HydrophobicContact CG-CD1 4.23Å; R238-L242 HydrophobicContact CG-CG 4.39Å; R238-L242 WeakPolarHBondContact O-CG 3.43Å; R238-L242 PolarHBondContact O-N 3.12Å; R238-V352 WeakPolarHBondContact CD-O 3.4Å; R238-L353 VanDerWaalsContact NH1-CA 3.33Å; R238-L353 PolarHBondContact NH1-O 3.42Å; R238-L353 VanDerWaalsContact NH1-O 3.14Å
239I98.8Very high98.3Very high0 Ų044.2 Ų44.20%020%0.199CC..Hα-helixtrans-63-35.9179.1-168.556.7000111.8I37 I64 A115 M116 V117 P139 I141 A235 G236 K237 E241 L242 T243I37-I239 HydrophobicContact CD1-CB 4.44Å; I37-I239 HydrophobicContact CD1-CG1 4.16Å; I37-I239 HydrophobicContact CD1-CG2 3.74Å; I37-I239 HydrophobicContact CG2-CG1 3.83Å; I37-I239 HydrophobicContact CG2-CG2 4Å; I64-I239 HydrophobicContact CD1-CG2 4.17Å; I64-I239 HydrophobicContact CG1-CG2 3.8Å; A115-I239 HydrophobicContact CB-CD1 4.04Å; A115-I239 HydrophobicContact CB-CG1 4.08Å; M116-I239 VanDerWaalsContact O-CD1 3.32Å; M116-I239 WeakPolarHBondContact O-CD1 3.49Å; V117-I239 HydrophobicContact CG2-CB 3.84Å; V117-I239 HydrophobicContact CG2-CG1 3.97Å; V117-I239 HydrophobicContact CG2-CG2 3.54Å; P139-I239 HydrophobicContact CB-CD1 4.43Å; I141-I239 HydrophobicContact CB-CD1 4.45Å; I141-I239 HydrophobicContact CG2-CB 3.84Å; I141-I239 HydrophobicContact CG2-CD1 4.11Å; I141-I239 HydrophobicContact CG2-CG1 4.29Å; A235-I239 WeakPolarHBondContact O-CG2 3.29Å; A235-I239 PolarHBondContact O-N 3.4Å; G236-I239 VanDerWaalsContact O-CG2 3.3Å; G236-I239 WeakPolarHBondContact O-CG2 3.43Å; K237-I239 VanDerWaalsContact C-N 3.33Å; K237-I239 PolarHBondContact O-N 2.99Å; I239-E241 VanDerWaalsContact C-N 3.35Å; I239-L242 PolarHBondContact O-N 3.44Å; I239-T243 WeakPolarHBondContact O-CB 3.44Å; I239-T243 PolarHBondContact O-N 3.28Å; I239-T243 PolarHBondContact O-OG1 3.18Å
240V98.8Very high98.3Very high3 Ų343.5 Ų43.52%0.01820%0.2CC..Hα-helixtrans-65.8-41.5175.1-177.50000110.2I37 I64 A67 K237 R238 T243 K244I37-V240 HydrophobicContact CD1-CB 4.26Å; I37-V240 HydrophobicContact CD1-CG2 3.51Å; I64-V240 HydrophobicContact CB-CG2 4.38Å; I64-V240 HydrophobicContact CG2-CG2 4.07Å; A67-V240 HydrophobicContact CB-CB 3.94Å; A67-V240 HydrophobicContact CB-CG1 4.27Å; A67-V240 HydrophobicContact CB-CG2 3.8Å; A67-V240 WeakPolarHBondContact O-CG1 3.42Å; K237-V240 PolarHBondContact O-N 3.44Å; R238-V240 VanDerWaalsContact C-N 3.27Å; R238-V240 PolarHBondContact O-N 2.93Å; V240-T243 WeakPolarHBondContact O-CB 3.36Å; V240-T243 PolarHBondContact O-N 3.37Å; V240-K244 HydrophobicContact CG1-CD 4.28Å; V240-K244 WeakPolarHBondContact O-CG 3.09Å; V240-K244 PolarHBondContact O-N 3.1Å
241E98.2Very high98.2Very high75 Ų7540.8 Ų40.835%0.3519%0.188SC..Hα-helixtrans-61-47.5175.8-63.4172.5179.500111.8K237 R238 I239 T243 K244 R245K237-E241 VanDerWaalsContact CE-OE1 3.26Å; K237-E241 WeakPolarHBondContact CE-OE1 2.99Å; K237-E241 PolarHBondContact O-N 3.49Å; R238-E241 VanDerWaalsContact CD-OE2 3.29Å; R238-E241 WeakPolarHBondContact CD-OE2 3.46Å; R238-E241 IonicContact CZ-OE2 3.31Å; R238-E241 IonicContact NE-OE2 3.33Å; R238-E241 PolarHBondContact NE-OE2 3.44Å; R238-E241 WeakPolarHBondContact O-CB 3.19Å; R238-E241 PolarHBondContact O-N 3.21Å; R238-E241 VanDerWaalsContact O-N 3.14Å; I239-E241 VanDerWaalsContact C-N 3.35Å; E241-T243 VanDerWaalsContact C-N 3.31Å; E241-T243 PolarHBondContact O-N 3.01Å; E241-K244 PolarHBondContact O-N 3.46Å; E241-R245 WeakPolarHBondContact O-CG 3.33Å; E241-R245 PolarHBondContact O-N 3.05Å
242L98.4Very high98.2Very high1 Ų145.6 Ų45.61%0.00521%0.211CC..Hα-helixtrans-61.2-40.1175.7-71.7169.9000112P139 R238 I239 R245 Y246 A254 V352P139-L242 HydrophobicContact CB-CB 4.21Å; R238-L242 HydrophobicContact CG-CD1 4.23Å; R238-L242 HydrophobicContact CG-CG 4.39Å; R238-L242 WeakPolarHBondContact O-CG 3.43Å; R238-L242 PolarHBondContact O-N 3.12Å; I239-L242 PolarHBondContact O-N 3.44Å; L242-R245 PolarHBondContact O-N 3.31Å; L242-Y246 PolarHBondContact O-N 2.93Å; L242-Y246 VanDerWaalsContact O-N 3.11Å; L242-A254 HydrophobicContact CD2-CB 4.04Å; L242-V352 HydrophobicContact CD1-CB 3.98Å; L242-V352 HydrophobicContact CD1-CG1 3.93Å
243T98.8Very high98.1Very high0 Ų047.4 Ų47.40%022%0.223CC..Hα-helixtrans-62.4-47.1177.6-54.90000111Y4 P35 D114 A115 I239 V240 E241 Y246 Y247Y4-T243 HydrophobicContact CE1-CG2 3.9Å; P35-T243 HydrophobicContact CB-CG2 3.58Å; P35-T243 HydrophobicContact CG-CG2 4.24Å; D114-T243 HydrophobicContact CB-CG2 4.12Å; A115-T243 HydrophobicContact CB-CG2 4.09Å; A115-T243 WeakPolarHBondContact CB-OG1 3.49Å; I239-T243 WeakPolarHBondContact O-CB 3.44Å; I239-T243 PolarHBondContact O-N 3.28Å; I239-T243 PolarHBondContact O-OG1 3.18Å; V240-T243 WeakPolarHBondContact O-CB 3.36Å; V240-T243 PolarHBondContact O-N 3.37Å; E241-T243 VanDerWaalsContact C-N 3.31Å; E241-T243 PolarHBondContact O-N 3.01Å; T243-Y246 PolarHBondContact O-N 3.02Å; T243-Y247 HydrophobicContact CG2-CD2 3.79Å; T243-Y247 HydrophobicContact CG2-CE2 4.01Å; T243-Y247 VanDerWaalsContact O-CD2 3.3Å; T243-Y247 WeakPolarHBondContact O-CD2 3.49Å; T243-Y247 PolarHBondContact O-N 3.35Å
244K98.1Very high98Very high61 Ų6146 Ų4627%0.26522%0.215SC..Hα-helixtrans-65.5-40.7177.5-70-179.4174.1172.20112.3V240 E241 Y246 E248 Q249V240-K244 HydrophobicContact CG1-CD 4.28Å; V240-K244 WeakPolarHBondContact O-CG 3.09Å; V240-K244 PolarHBondContact O-N 3.1Å; E241-K244 PolarHBondContact O-N 3.46Å; K244-Y246 VanDerWaalsContact C-N 3.32Å; K244-Y246 PolarHBondContact O-N 3.46Å; K244-E248 HydrophobicContact CB-CG 4.36Å; K244-E248 HydrophobicContact CG-CG 4.44Å; K244-E248 WeakPolarHBondContact O-CA 3.35Å; K244-E248 VanDerWaalsContact O-CB 3.24Å; K244-E248 WeakPolarHBondContact O-CB 3.37Å; K244-E248 PolarHBondContact O-N 3Å; K244-Q249 PolarHBondContact O-N 2.79Å; K244-Q249 VanDerWaalsContact O-N 3.17Å
245R97.8Very high98Very high48 Ų4843.7 Ų43.718%0.18120%0.203CC..Hα-helixtrans-52.9-50.3173.2-78.9173.459.3-164.5-5.7111.5E241 L242 Q249 N250 D251 S253 A254E241-R245 WeakPolarHBondContact O-CG 3.33Å; E241-R245 PolarHBondContact O-N 3.05Å; L242-R245 PolarHBondContact O-N 3.31Å; R245-Q249 CarbonylContact O-C 3.37Å; R245-Q249 WeakPolarHBondContact O-CA 3.23Å; R245-Q249 VanDerWaalsContact O-CB 3.25Å; R245-Q249 WeakPolarHBondContact O-CB 3.41Å; R245-Q249 PolarHBondContact O-N 3.42Å; R245-N250 PolarHBondContact O-N 3.47Å; R245-D251 HydrophobicContact CB-CB 4.21Å; R245-D251 IonicContact CZ-OD2 3.82Å; R245-D251 VanDerWaalsContact CZ-OD2 3.23Å; R245-D251 IonicContact NE-OD2 2.92Å; R245-D251 PolarHBondContact NE-OD2 2.77Å; R245-D251 IonicContact NH2-OD2 3.99Å; R245-D251 PolarHBondContact NH2-OD2 3.04Å; R245-D251 WeakPolarHBondContact O-CB 3.38Å; R245-D251 PolarHBondContact O-N 2.78Å; R245-S253 PolarHBondContact NH2-OG 3.26Å; R245-A254 HydrophobicContact CB-CB 4.09Å
246Y98.3Very high98Very high42 Ų4243.8 Ų43.817%0.16520%0.204CC..Hα-helixtrans-66.4-57.3-179.3176.7-122.8000113P2 P139 L242 T243 K244 N250 D251 E252 L255P2-Y246 HydrophobicContact CB-CE1 4.26Å; P2-Y246 WeakPolarHBondContact CD-O 3.25Å; P2-Y246 HydrophobicContact CG-CD2 4.42Å; P2-Y246 HydrophobicContact CG-CE1 4.39Å; P2-Y246 HydrophobicContact CG-CE2 3.91Å; P139-Y246 HydrophobicContact CG-CD1 4.02Å; P139-Y246 HydrophobicContact CG-CG 4.22Å; L242-Y246 PolarHBondContact O-N 2.93Å; L242-Y246 VanDerWaalsContact O-N 3.11Å; T243-Y246 PolarHBondContact O-N 3.02Å; K244-Y246 VanDerWaalsContact C-N 3.32Å; K244-Y246 PolarHBondContact O-N 3.46Å; Y246-N250 VanDerWaalsContact O-CA 3.3Å; Y246-N250 WeakPolarHBondContact O-CA 3.32Å; Y246-N250 PolarHBondContact O-N 2.91Å; Y246-D251 WeakPolarHBondContact CA-O 3.32Å; Y246-E252 HydrophobicContact CE2-CG 4.23Å; Y246-L255 HydrophobicContact CD1-CD2 3.85Å; Y246-L255 HydrophobicContact CD2-CD1 4.11Å; Y246-L255 HydrophobicContact CD2-CD2 3.83Å; Y246-L255 HydrophobicContact CD2-CG 3.84Å; Y246-L255 HydrophobicContact CE1-CD2 3.95Å; Y246-L255 HydrophobicContact CE2-CD1 3.63Å; Y246-L255 HydrophobicContact CE2-CD2 3.93Å; Y246-L255 HydrophobicContact CE2-CG 3.89Å; Y246-L255 HydrophobicContact CG-CD2 3.8Å; Y246-L255 HydrophobicContact CG-CG 4.29Å
247Y98.3Very high98Very high10 Ų1046.3 Ų46.34%0.03921%0.213CC..Hα-helixtrans-80.1-41.4-171-68.9-81.9000113.5P2 K3 Y4 R5 D114 P139 T243P2-Y247 HydrophobicContact CB-CD1 3.82Å; P2-Y247 HydrophobicContact CB-CE1 4.34Å; P2-Y247 VanDerWaalsContact O-O 3.14Å; K3-Y247 VanDerWaalsContact C-CD1 3.48Å; K3-Y247 WeakPolarHBondContact O-CD1 3.31Å; K3-Y247 VanDerWaalsContact O-CE1 3.23Å; K3-Y247 WeakPolarHBondContact O-CE1 3.46Å; Y4-Y247 AromaticContact CD1-CD1 3.76Å; Y4-Y247 HydrophobicContact CD1-CD1 3.76Å; Y4-Y247 AromaticContact CD1-CD2 3.44Å; Y4-Y247 HydrophobicContact CD1-CD2 3.44Å; Y4-Y247 VanDerWaalsContact CD1-CD2 3.44Å; Y4-Y247 HydrophobicContact CD1-CE1 4.29Å; Y4-Y247 AromaticContact CD1-CE2 3.99Å; Y4-Y247 HydrophobicContact CD1-CE2 3.99Å; Y4-Y247 AromaticContact CD1-CG 3.31Å; Y4-Y247 HydrophobicContact CD1-CG 3.31Å; Y4-Y247 HydrophobicContact CE1-CD1 4.32Å; Y4-Y247 AromaticContact CE1-CD2 3.41Å; Y4-Y247 HydrophobicContact CE1-CD2 3.41Å; Y4-Y247 VanDerWaalsContact CE1-CD2 3.41Å; Y4-Y247 HydrophobicContact CE1-CE2 4.29Å; Y4-Y247 AromaticContact CE1-CG 3.43Å; Y4-Y247 HydrophobicContact CE1-CG 3.43Å; Y4-Y247 VanDerWaalsContact CE1-CG 3.43Å; Y4-Y247 HydrophobicContact CG-CG 4.38Å; R5-Y247 WeakPolarHBondContact CD-OH 3.41Å; R5-Y247 HydrophobicContact CG-CE1 4.37Å; R5-Y247 WeakPolarHBondContact CG-OH 3.47Å; D114-Y247 HydrophobicContact CB-CE2 3.97Å; D114-Y247 VanDerWaalsContact O-CE2 3.31Å; D114-Y247 WeakPolarHBondContact O-CE2 2.97Å; D114-Y247 PolarHBondContact O-OH 3.02Å; P139-Y247 HydrophobicContact CG-CE2 4.48Å; T243-Y247 HydrophobicContact CG2-CD2 3.79Å; T243-Y247 HydrophobicContact CG2-CE2 4.01Å; T243-Y247 VanDerWaalsContact O-CD2 3.3Å; T243-Y247 WeakPolarHBondContact O-CD2 3.49Å; T243-Y247 PolarHBondContact O-N 3.35Å
248E97.6Very high98Very high90 Ų9044.8 Ų44.842%0.42121%0.21SC..Hα-helixtrans-92.2-25.7-175.2-53.3179.3172.100112.8Y4 K244Y4-E248 WeakPolarHBondContact OH-CG 3.39Å; Y4-E248 PolarHBondContact OH-OE1 3.24Å; K244-E248 HydrophobicContact CB-CG 4.36Å; K244-E248 HydrophobicContact CG-CG 4.44Å; K244-E248 WeakPolarHBondContact O-CA 3.35Å; K244-E248 VanDerWaalsContact O-CB 3.24Å; K244-E248 WeakPolarHBondContact O-CB 3.37Å; K244-E248 PolarHBondContact O-N 3Å
249Q97.3Very high98Very high126 Ų12641.7 Ų41.759%0.58920%0.199SC*.Hα-helixtrans-110.2-1.1-178.1-48.3171.811.200112.6K244 R245 D251K244-Q249 PolarHBondContact O-N 2.79Å; K244-Q249 VanDerWaalsContact O-N 3.17Å; R245-Q249 CarbonylContact O-C 3.37Å; R245-Q249 WeakPolarHBondContact O-CA 3.23Å; R245-Q249 VanDerWaalsContact O-CB 3.25Å; R245-Q249 WeakPolarHBondContact O-CB 3.41Å; R245-Q249 PolarHBondContact O-N 3.42Å; Q249-D251 PolarHBondContact O-N 2.89Å
250N96.9Very high98Very high83 Ų8341.7 Ų41.744%0.44420%0.199SC..  trans57.632.4-179.5-155.995.8000112.3M1 P2 R245 Y246 E252M1-N250 VanDerWaalsContact CA-OD1 3.26Å; M1-N250 WeakPolarHBondContact CA-OD1 3.12Å; M1-N250 HydrophobicContact CG-CB 4.39Å; M1-N250 PolarHBondContact N-OD1 3.47Å; P2-N250 WeakPolarHBondContact CD-OD1 3.34Å; R245-N250 PolarHBondContact O-N 3.47Å; Y246-N250 VanDerWaalsContact O-CA 3.3Å; Y246-N250 WeakPolarHBondContact O-CA 3.32Å; Y246-N250 PolarHBondContact O-N 2.91Å; N250-E252 PolarHBondContact O-N 3.2Å
251D97.2Very high98Very high42 Ų4243.2 Ų43.223%0.22521%0.21CC..  trans-9492.4179.817717.3000110.5R245 Y246 Q249 S253 A254R245-D251 HydrophobicContact CB-CB 4.21Å; R245-D251 IonicContact CZ-OD2 3.82Å; R245-D251 VanDerWaalsContact CZ-OD2 3.23Å; R245-D251 IonicContact NE-OD2 2.92Å; R245-D251 PolarHBondContact NE-OD2 2.77Å; R245-D251 IonicContact NH2-OD2 3.99Å; R245-D251 PolarHBondContact NH2-OD2 3.04Å; R245-D251 WeakPolarHBondContact O-CB 3.38Å; R245-D251 PolarHBondContact O-N 2.78Å; Y246-D251 WeakPolarHBondContact CA-O 3.32Å; Q249-D251 PolarHBondContact O-N 2.89Å; D251-S253 VanDerWaalsContact CG-OG 3.31Å; D251-S253 PolarHBondContact O-N 3.16Å; D251-S253 VanDerWaalsContact OD1-CB 3.24Å; D251-S253 WeakPolarHBondContact OD1-CB 3.12Å; D251-S253 PolarHBondContact OD1-N 3.32Å; D251-S253 PolarHBondContact OD1-OG 2.93Å; D251-S253 PolarHBondContact OD2-OG 2.92Å; D251-A254 PolarHBondContact O-N 3Å
252E97.1Very high97.9Very high111 Ų11143.2 Ų43.252%0.51921%0.209SC..G310 helixtrans-65.4-18.5176.8-60.2-168.716200112.7Y246 N250 A254 L255 N258Y246-E252 HydrophobicContact CE2-CG 4.23Å; N250-E252 PolarHBondContact O-N 3.2Å; E252-A254 PolarHBondContact O-N 3.5Å; E252-A254 VanDerWaalsContact O-N 3.07Å; E252-L255 WeakPolarHBondContact O-CB 3.16Å; E252-L255 PolarHBondContact O-N 3.28Å; E252-N258 PolarHBondContact O-ND2 3.13Å
253S97Very high97.9Very high38 Ų3844.1 Ų44.127%0.26622%0.216SC..G310 helixtrans-67.1-9.2178.378.80000113.6R245 D251 L255 I259R245-S253 PolarHBondContact NH2-OG 3.26Å; D251-S253 VanDerWaalsContact CG-OG 3.31Å; D251-S253 PolarHBondContact O-N 3.16Å; D251-S253 VanDerWaalsContact OD1-CB 3.24Å; D251-S253 WeakPolarHBondContact OD1-CB 3.12Å; D251-S253 PolarHBondContact OD1-N 3.32Å; D251-S253 PolarHBondContact OD1-OG 2.93Å; D251-S253 PolarHBondContact OD2-OG 2.92Å; S253-L255 VanDerWaalsContact C-N 3.35Å; S253-I259 WeakPolarHBondContact O-CG1 3.49Å
254A97.6Very high97.9Very high0 Ų044.1 Ų44.10%022%0.216CC..G310 helixtrans-82.4-8.3171.800000113.9L242 R245 D251 E252L242-A254 HydrophobicContact CD2-CB 4.04Å; R245-A254 HydrophobicContact CB-CB 4.09Å; D251-A254 PolarHBondContact O-N 3Å; E252-A254 PolarHBondContact O-N 3.5Å; E252-A254 VanDerWaalsContact O-N 3.07Å
255L98.5Very high97.9Very high8 Ų841.2 Ų41.24%0.04220%0.204CC..SBendtrans-78.5146.6178.4-66.7-177.6000112.2N137 P139 Y246 E252 S253 R257 N258 I259N137-L255 WeakPolarHBondContact O-CD2 3.2Å; P139-L255 HydrophobicContact CG-CD2 4.13Å; Y246-L255 HydrophobicContact CD1-CD2 3.85Å; Y246-L255 HydrophobicContact CD2-CD1 4.11Å; Y246-L255 HydrophobicContact CD2-CD2 3.83Å; Y246-L255 HydrophobicContact CD2-CG 3.84Å; Y246-L255 HydrophobicContact CE1-CD2 3.95Å; Y246-L255 HydrophobicContact CE2-CD1 3.63Å; Y246-L255 HydrophobicContact CE2-CD2 3.93Å; Y246-L255 HydrophobicContact CE2-CG 3.89Å; Y246-L255 HydrophobicContact CG-CD2 3.8Å; Y246-L255 HydrophobicContact CG-CG 4.29Å; E252-L255 WeakPolarHBondContact O-CB 3.16Å; E252-L255 PolarHBondContact O-N 3.28Å; S253-L255 VanDerWaalsContact C-N 3.35Å; L255-R257 VanDerWaalsContact C-N 3.34Å; L255-R257 PolarHBondContact O-N 2.9Å; L255-N258 PolarHBondContact O-N 3.24Å; L255-I259 PolarHBondContact O-N 3.23Å
256P98.6Very high98Very high1 Ų142 Ų421%0.00621%0.209CC..Hα-helixtrans-60.7-37.5-17719.5-30000113.8S133 L134 I138 V140 L213 N258 I259 A260S133-P256 WeakPolarHBondContact O-CG 3.34Å; L134-P256 HydrophobicContact CD2-CB 4.23Å; I138-P256 WeakPolarHBondContact O-CD 3.32Å; I138-P256 WeakPolarHBondContact O-CG 3.49Å; V140-P256 HydrophobicContact CG1-CB 3.54Å; V140-P256 HydrophobicContact CG1-CG 3.81Å; L213-P256 HydrophobicContact CD2-CB 3.98Å; P256-N258 PolarHBondContact O-N 2.79Å; P256-I259 PolarHBondContact O-N 2.8Å; P256-A260 WeakPolarHBondContact O-CA 3.11Å; P256-A260 WeakPolarHBondContact O-CB 3.44Å; P256-A260 PolarHBondContact O-N 2.67Å
257R98.3Very high98Very high54 Ų5440.3 Ų40.320%0.20420%0.203CC..Hα-helixtrans-67.2-24.2177.8-70.1-174-179.9-168.2-5.1113.3L134 N137 L255 E291 A292 E293L134-R257 HydrophobicContact CD2-CG 4.34Å; L134-R257 PolarHBondContact O-NE 3.33Å; L134-R257 PolarHBondContact O-NH2 3.01Å; N137-R257 HydrophobicContact CB-CG 4.23Å; N137-R257 WeakPolarHBondContact OD1-CB 3.5Å; N137-R257 WeakPolarHBondContact OD1-CG 3.29Å; N137-R257 PolarHBondContact OD1-N 3.35Å; L255-R257 VanDerWaalsContact C-N 3.34Å; L255-R257 PolarHBondContact O-N 2.9Å; R257-E291 PolarHBondContact NH2-O 2.93Å; R257-A292 HydrophobicContact CG-CB 4.49Å; R257-E293 IonicContact CZ-OE1 3.13Å; R257-E293 VanDerWaalsContact CZ-OE1 3.3Å; R257-E293 IonicContact NH1-OE1 3.41Å; R257-E293 PolarHBondContact NH1-OE1 3.01Å; R257-E293 IonicContact NH1-OE2 3.85Å; R257-E293 PolarHBondContact NH1-OE2 2.88Å; R257-E293 IonicContact NH2-OE1 2.69Å; R257-E293 PolarHBondContact NH2-OE1 3.2Å
258N98Very high98Very high80 Ų8039.8 Ų39.843%0.42820%0.201SC..Hα-helixtrans-86.3-29.2175.8-71.8-28.3000112.3E252 L255 P256E252-N258 PolarHBondContact O-ND2 3.13Å; L255-N258 PolarHBondContact O-N 3.24Å; P256-N258 PolarHBondContact O-N 2.79Å
259I98.6Very high98.1Very high3 Ų335.5 Ų35.52%0.01518%0.181CC..Hα-helixtrans-75.4-59.1173.1-66.6172.8000110G212 L213 S253 L255 P256 S261 A264 V352G212-I259 WeakPolarHBondContact O-CG2 3.48Å; L213-I259 HydrophobicContact CD2-CB 4.03Å; L213-I259 HydrophobicContact CD2-CG2 3.75Å; L213-I259 HydrophobicContact CG-CG2 4.38Å; S253-I259 WeakPolarHBondContact O-CG1 3.49Å; L255-I259 PolarHBondContact O-N 3.23Å; P256-I259 PolarHBondContact O-N 2.8Å; I259-S261 PolarHBondContact O-N 2.98Å; I259-A264 WeakPolarHBondContact O-CB 3.48Å; I259-V352 HydrophobicContact CD1-CG1 4.21Å
260A98.5Very high98.1Very high0 Ų029.6 Ų29.60%015%0.154CC..SBendtrans-79.154.9174.800000111.2L134 L211 L213 P256 F265 I294L134-A260 HydrophobicContact CD2-CB 4.17Å; L211-A260 HydrophobicContact CB-CB 4.38Å; L211-A260 HydrophobicContact CD2-CB 4.24Å; L213-A260 HydrophobicContact CD1-CB 4.09Å; L213-A260 HydrophobicContact CG-CB 4.35Å; P256-A260 WeakPolarHBondContact O-CA 3.11Å; P256-A260 WeakPolarHBondContact O-CB 3.44Å; P256-A260 PolarHBondContact O-N 2.67Å; A260-F265 HydrophobicContact CB-CE2 4.08Å; A260-F265 WeakPolarHBondContact O-CD2 3.48Å; A260-F265 VanDerWaalsContact O-CE2 3.28Å; A260-F265 WeakPolarHBondContact O-CE2 3.36Å; A260-I294 WeakPolarHBondContact O-CD1 3.36Å
261S97.8Very high98.2Very high34 Ų3425.7 Ų25.724%0.23813%0.132CC..  trans-66.8170175.365.60000112.4I259 A263 A264 F265I259-S261 PolarHBondContact O-N 2.98Å; S261-A263 PolarHBondContact O-N 2.9Å; S261-A264 CarbonylContact O-C 3.59Å; S261-A264 WeakPolarHBondContact O-CA 3.36Å; S261-A264 WeakPolarHBondContact O-CB 3.22Å; S261-A264 PolarHBondContact O-N 3.2Å; S261-A264 PolarHBondContact OG-N 3.47Å; S261-F265 WeakPolarHBondContact O-CD2 3.21Å; S261-F265 PolarHBondContact O-N 3.04Å
262K97.9Very high98.2Very high76 Ų7623.7 Ų23.733%0.3312%0.122SC..Hα-helixtrans-51.9-41.7173.9-177.4165.3177.6158.10112.6A264 F265 E266 I294 D295K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.34Å; K262-F265 WeakPolarHBondContact O-CB 3.17Å; K262-F265 PolarHBondContact O-N 2.88Å; K262-E266 WeakPolarHBondContact O-CG 3.44Å; K262-E266 PolarHBondContact O-N 3.25Å; K262-I294 HydrophobicContact CB-CG2 3.84Å; K262-I294 HydrophobicContact CD-CG2 4.48Å; K262-I294 HydrophobicContact CG-CG2 4.12Å; K262-D295 VanDerWaalsContact CE-O 3.22Å; K262-D295 WeakPolarHBondContact CE-O 3.39Å; K262-D295 PolarHBondContact NZ-O 3.19Å; K262-D295 IonicContact NZ-OD2 2.79Å
263A98.3Very high98.3Very high20 Ų2018.4 Ų18.417%0.16510%0.097CC..Hα-helixtrans-63.5-36.4175.400000112.7S261 E266 N267 N346 V349S261-A263 PolarHBondContact O-N 2.9Å; A263-E266 PolarHBondContact O-N 2.87Å; A263-N267 WeakPolarHBondContact O-CB 3.36Å; A263-N267 PolarHBondContact O-N 3.46Å; A263-N346 HydrophobicContact CB-CB 4.04Å; A263-V349 HydrophobicContact CB-CG1 3.74Å
264A98.6Very high98.3Very high0 Ų016.6 Ų16.60%08%0.084CC..Hα-helixtrans-69.3-36.8174.500000111.8L211 I259 S261 K262 N267 A268 V349L211-A264 HydrophobicContact CD2-CB 4.45Å; I259-A264 WeakPolarHBondContact O-CB 3.48Å; S261-A264 CarbonylContact O-C 3.59Å; S261-A264 WeakPolarHBondContact O-CA 3.36Å; S261-A264 WeakPolarHBondContact O-CB 3.22Å; S261-A264 PolarHBondContact O-N 3.2Å; S261-A264 PolarHBondContact OG-N 3.47Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.34Å; A264-N267 PolarHBondContact O-N 2.95Å; A264-A268 VanDerWaalsContact O-CB 3.3Å; A264-A268 WeakPolarHBondContact O-CB 3.42Å; A264-A268 PolarHBondContact O-N 3.24Å; A264-V349 HydrophobicContact CB-CG1 4.19Å
265F98.7Very high98.2Very high0 Ų016.7 Ų16.70%09%0.085CC..Hα-helixtrans-62.7-43.2171.5-88.8-96000112.1L134 L211 A260 S261 K262 A268 M269 L285 A288 A289 A292 I294 F296L134-F265 HydrophobicContact CD1-CZ 4.21Å; L211-F265 HydrophobicContact CD2-CD1 4.35Å; L211-F265 HydrophobicContact CD2-CD2 3.88Å; L211-F265 HydrophobicContact CD2-CE2 4.09Å; L211-F265 HydrophobicContact CD2-CG 4.03Å; L211-F265 HydrophobicContact CD2-CZ 4.42Å; A260-F265 HydrophobicContact CB-CE2 4.08Å; A260-F265 WeakPolarHBondContact O-CD2 3.48Å; A260-F265 VanDerWaalsContact O-CE2 3.28Å; A260-F265 WeakPolarHBondContact O-CE2 3.36Å; S261-F265 WeakPolarHBondContact O-CD2 3.21Å; S261-F265 PolarHBondContact O-N 3.04Å; K262-F265 WeakPolarHBondContact O-CB 3.17Å; K262-F265 PolarHBondContact O-N 2.88Å; F265-A268 PolarHBondContact O-N 3.23Å; F265-M269 WeakPolarHBondContact O-CB 3.3Å; F265-M269 PolarHBondContact O-N 3.45Å; F265-L285 HydrophobicContact CD1-CD2 4.01Å; F265-L285 HydrophobicContact CE1-CD2 4.03Å; F265-L285 WeakPolarHBondContact CE1-O 3.36Å; F265-A288 HydrophobicContact CE1-CB 3.9Å; F265-A288 HydrophobicContact CZ-CB 3.85Å; F265-A289 HydrophobicContact CD1-CB 4.22Å; F265-A289 HydrophobicContact CE1-CB 3.87Å; F265-A289 HydrophobicContact CZ-CB 4.31Å; F265-A292 HydrophobicContact CE2-CB 4.5Å; F265-I294 HydrophobicContact CD2-CD1 3.69Å; F265-I294 HydrophobicContact CE2-CD1 3.58Å; F265-F296 HydrophobicContact CB-CD2 4.16Å; F265-F296 HydrophobicContact CB-CE2 4.32Å; F265-F296 HydrophobicContact CB-CG 4.44Å; F265-F296 HydrophobicContact CD1-CD1 4.48Å
266E98.6Very high98Very high65 Ų6516.3 Ų16.330%0.3048%0.083SC..Hα-helixtrans-62.4-42.2174.5-71.7173.4179.600112K262 A263 T270 F296 L304K262-E266 WeakPolarHBondContact O-CG 3.44Å; K262-E266 PolarHBondContact O-N 3.25Å; A263-E266 PolarHBondContact O-N 2.87Å; E266-T270 VanDerWaalsContact O-CB 3.29Å; E266-T270 WeakPolarHBondContact O-CB 3.43Å; E266-T270 PolarHBondContact O-N 3.48Å; E266-T270 PolarHBondContact O-OG1 3.23Å; E266-F296 HydrophobicContact CG-CE2 4.07Å; E266-L304 HydrophobicContact CB-CD1 4.45Å
267N98.7Very high97.8Very high5 Ų516.2 Ų16.23%0.0278%0.083CC..Hα-helixtrans-64.5-43.4174.3-77.7-3.8000112.1A263 A264 T270 L271 L345 N346 V349A263-N267 WeakPolarHBondContact O-CB 3.36Å; A263-N267 PolarHBondContact O-N 3.46Å; A264-N267 PolarHBondContact O-N 2.95Å; N267-T270 WeakPolarHBondContact O-CB 3.49Å; N267-T270 PolarHBondContact O-N 3.01Å; N267-L271 PolarHBondContact O-N 3.29Å; N267-L345 HydrophobicContact CB-CD2 4.22Å; N267-N346 PolarHBondContact ND2-O 2.95Å; N267-N346 PolarHBondContact OD1-N 3.07Å; N267-V349 WeakPolarHBondContact ND2-CG2 3.41Å
268A98.7Very high97.6Very high0 Ų013.7 Ų13.70%07%0.073CC..Hα-helixtrans-63.1-45.2178.100000111.3L207 A210 L211 A264 F265 T270 L271 D272L207-A268 HydrophobicContact CD2-CB 4.07Å; L207-A268 WeakPolarHBondContact CD2-O 3.32Å; A210-A268 HydrophobicContact CB-CB 4.1Å; L211-A268 HydrophobicContact CD2-CB 3.81Å; L211-A268 HydrophobicContact CG-CB 3.86Å; A264-A268 VanDerWaalsContact O-CB 3.3Å; A264-A268 WeakPolarHBondContact O-CB 3.42Å; A264-A268 PolarHBondContact O-N 3.24Å; F265-A268 PolarHBondContact O-N 3.23Å; A268-T270 VanDerWaalsContact C-N 3.32Å; A268-T270 PolarHBondContact O-N 3.15Å; A268-L271 WeakPolarHBondContact O-CB 3.34Å; A268-L271 PolarHBondContact O-N 3.18Å; A268-D272 WeakPolarHBondContact O-CB 3.41Å; A268-D272 PolarHBondContact O-N 3.01Å
269M98.5Very high97.5Very high0 Ų010.3 Ų10.30%06%0.055CC..Hα-helixtrans-64.9-37.2175.3-169.970.8-11500111.9F265 D272 I273 V282 L285 F296 I301 L304 L422F265-M269 WeakPolarHBondContact O-CB 3.3Å; F265-M269 PolarHBondContact O-N 3.45Å; M269-D272 HydrophobicContact CE-CB 3.85Å; M269-D272 WeakPolarHBondContact CE-OD2 3.24Å; M269-D272 PolarHBondContact O-N 2.89Å; M269-I273 HydrophobicContact CE-CD1 4.1Å; M269-I273 HydrophobicContact CE-CG1 3.68Å; M269-I273 HydrophobicContact CG-CD1 4.06Å; M269-I273 WeakPolarHBondContact O-CD1 3.26Å; M269-I273 VanDerWaalsContact O-CG1 3.31Å; M269-I273 WeakPolarHBondContact O-CG1 3.24Å; M269-I273 PolarHBondContact O-N 3.13Å; M269-V282 HydrophobicContact CE-CG2 4.24Å; M269-L285 HydrophobicContact CB-CD1 4.24Å; M269-L285 HydrophobicContact SD-CD1 3.74Å; M269-F296 HydrophobicContact CB-CZ 3.81Å; M269-F296 HydrophobicContact CG-CZ 4.01Å; M269-I301 HydrophobicContact CE-CG2 4.07Å; M269-I301 HydrophobicContact CG-CB 4.48Å; M269-I301 HydrophobicContact CG-CG1 4.04Å; M269-I301 HydrophobicContact CG-CG2 4.27Å; M269-I301 HydrophobicContact SD-CB 4.37Å; M269-I301 HydrophobicContact SD-CD1 3.96Å; M269-I301 HydrophobicContact SD-CG1 3.78Å; M269-I301 HydrophobicContact SD-CG2 3.86Å; M269-L304 HydrophobicContact CB-CD1 3.69Å; M269-L304 HydrophobicContact CG-CD1 3.76Å; M269-L422 HydrophobicContact CE-CD1 3.68Å
270T98.6Very high97.3Very high2 Ų210.1 Ų10.11%0.0125%0.054CC..Hα-helixtrans-61.2-44.7173.7-63.10000111.2E266 N267 A268 D272 A274 V308 L339 L344 L345E266-T270 VanDerWaalsContact O-CB 3.29Å; E266-T270 WeakPolarHBondContact O-CB 3.43Å; E266-T270 PolarHBondContact O-N 3.48Å; E266-T270 PolarHBondContact O-OG1 3.23Å; N267-T270 WeakPolarHBondContact O-CB 3.49Å; N267-T270 PolarHBondContact O-N 3.01Å; A268-T270 VanDerWaalsContact C-N 3.32Å; A268-T270 PolarHBondContact O-N 3.15Å; T270-D272 VanDerWaalsContact C-N 3.34Å; T270-D272 PolarHBondContact O-N 3.36Å; T270-A274 WeakPolarHBondContact O-CB 3.3Å; T270-A274 PolarHBondContact O-N 3.5Å; T270-V308 HydrophobicContact CG2-CB 4.48Å; T270-V308 HydrophobicContact CG2-CG1 3.94Å; T270-V308 HydrophobicContact CG2-CG2 3.65Å; T270-V308 WeakPolarHBondContact O-CG1 3.46Å; T270-L339 HydrophobicContact CG2-CD1 4.05Å; T270-L339 HydrophobicContact CG2-CD2 4.01Å; T270-L339 HydrophobicContact CG2-CG 4.49Å; T270-L344 HydrophobicContact CG2-CB 4.34Å; T270-L345 HydrophobicContact CG2-CD2 3.76Å
271L98.6Very high97.3Very high0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-60.4-44.2172.9176.6127.7000111.9C206 L207 A210 N267 A268 I273 A274 M275 V332 I335 L336 L339C206-L271 HydrophobicContact CB-CD2 4.14Å; L207-L271 HydrophobicContact CD2-CD2 3.9Å; A210-L271 HydrophobicContact CB-CB 4.35Å; A210-L271 HydrophobicContact CB-CD1 4.29Å; A210-L271 HydrophobicContact CB-CD2 4.2Å; N267-L271 PolarHBondContact O-N 3.29Å; A268-L271 WeakPolarHBondContact O-CB 3.34Å; A268-L271 PolarHBondContact O-N 3.18Å; L271-I273 PolarHBondContact O-N 2.65Å; L271-A274 PolarHBondContact O-N 2.94Å; L271-A274 VanDerWaalsContact O-N 3.15Å; L271-M275 HydrophobicContact CD2-CE 3.87Å; L271-M275 HydrophobicContact CD2-SD 3.68Å; L271-M275 HydrophobicContact CG-SD 4.42Å; L271-M275 WeakPolarHBondContact O-CG 3.38Å; L271-M275 PolarHBondContact O-N 3.27Å; L271-V332 HydrophobicContact CD1-CG1 3.74Å; L271-I335 HydrophobicContact CD1-CB 4.11Å; L271-I335 HydrophobicContact CD1-CG2 4.13Å; L271-I335 HydrophobicContact CG-CG2 4.33Å; L271-L336 HydrophobicContact CB-CD2 4.11Å; L271-L336 HydrophobicContact CD1-CD1 4.43Å; L271-L336 HydrophobicContact CD1-CD2 3.56Å; L271-L336 HydrophobicContact CD1-CG 3.63Å; L271-L336 HydrophobicContact CG-CD2 4.48Å; L271-L339 HydrophobicContact CB-CD1 4.48Å
272D97.9Very high97.2Very high0 Ų08.6 Ų8.60%04%0.043CC..Hα-helixtrans-62.6-44.2-178.1-163.348.2000113.4L207 A268 M269 T270 A274 M275 G276 G277 T281 L422L207-D272 HydrophobicContact CD2-CB 3.82Å; A268-D272 WeakPolarHBondContact O-CB 3.41Å; A268-D272 PolarHBondContact O-N 3.01Å; M269-D272 HydrophobicContact CE-CB 3.85Å; M269-D272 WeakPolarHBondContact CE-OD2 3.24Å; M269-D272 PolarHBondContact O-N 2.89Å; T270-D272 VanDerWaalsContact C-N 3.34Å; T270-D272 PolarHBondContact O-N 3.36Å; D272-A274 VanDerWaalsContact C-N 3.31Å; D272-A274 PolarHBondContact O-N 2.85Å; D272-M275 HydrophobicContact CB-CE 4.38Å; D272-M275 PolarHBondContact O-N 3.08Å; D272-M275 WeakPolarHBondContact OD1-CE 3.34Å; D272-G276 PolarHBondContact O-N 2.77Å; D272-G276 VanDerWaalsContact O-N 3.14Å; D272-G277 PolarHBondContact O-N 2.94Å; D272-G277 WeakPolarHBondContact OD1-CA 3.24Å; D272-T281 VanDerWaalsContact OD2-CB 3.3Å; D272-T281 WeakPolarHBondContact OD2-CB 3.28Å; D272-T281 PolarHBondContact OD2-OG1 3.05Å; D272-L422 WeakPolarHBondContact OD2-CD1 3.49Å
273I97.7Very high97.3Very high0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-60.8-43.8172.9-67.6156000110.1M269 L271 M275 G276 L304 V308 G421 L422M269-I273 HydrophobicContact CE-CD1 4.1Å; M269-I273 HydrophobicContact CE-CG1 3.68Å; M269-I273 HydrophobicContact CG-CD1 4.06Å; M269-I273 WeakPolarHBondContact O-CD1 3.26Å; M269-I273 VanDerWaalsContact O-CG1 3.31Å; M269-I273 WeakPolarHBondContact O-CG1 3.24Å; M269-I273 PolarHBondContact O-N 3.13Å; L271-I273 PolarHBondContact O-N 2.65Å; I273-M275 VanDerWaalsContact C-N 3.35Å; I273-M275 PolarHBondContact O-N 3Å; I273-G276 PolarHBondContact O-N 3.04Å; I273-L304 HydrophobicContact CD1-CB 3.61Å; I273-V308 HydrophobicContact CB-CB 4.22Å; I273-V308 HydrophobicContact CB-CG1 3.95Å; I273-V308 HydrophobicContact CG2-CB 3.76Å; I273-V308 HydrophobicContact CG2-CG1 3.76Å; I273-G421 WeakPolarHBondContact O-CA 3.35Å; I273-G421 PolarHBondContact O-N 3.04Å; I273-L422 HydrophobicContact CG1-CB 4.32Å; I273-L422 HydrophobicContact CG1-CD1 4.46Å
274A98Very high97.3Very high0 Ų04 Ų40%02%0.02CC..Hα-helixtrans-68-33.7-176.200000113.6T270 L271 D272 G276 V308 P309 Q310 L311 C312 I335 L339T270-A274 WeakPolarHBondContact O-CB 3.3Å; T270-A274 PolarHBondContact O-N 3.5Å; L271-A274 PolarHBondContact O-N 2.94Å; L271-A274 VanDerWaalsContact O-N 3.15Å; D272-A274 VanDerWaalsContact C-N 3.31Å; D272-A274 PolarHBondContact O-N 2.85Å; A274-G276 VanDerWaalsContact C-N 3.33Å; A274-V308 HydrophobicContact CB-CG1 4.02Å; A274-P309 VanDerWaalsContact CA-O 3.25Å; A274-P309 WeakPolarHBondContact CA-O 3.31Å; A274-Q310 CarbonylContact O-C 3.47Å; A274-L311 HydrophobicContact CB-CB 4.48Å; A274-L311 HydrophobicContact CB-CG 4.39Å; A274-L311 PolarHBondContact O-N 2.79Å; A274-C312 PolarHBondContact O-N 2.98Å; A274-I335 HydrophobicContact CB-CG2 4.19Å; A274-L339 HydrophobicContact CB-CD1 3.88Å; A274-L339 HydrophobicContact CB-CD2 3.88Å; A274-L339 HydrophobicContact CB-CG 4.27Å
275M96.1Very high97.2Very high2 Ų24 Ų41%0.012%0.02CC..Hα-helixtrans-86.5-5.1176.474.2-175.6178.900114M198 C206 L207 L271 D272 I273 C312 I335M198-M275 HydrophobicContact CE-CB 4.24Å; M198-M275 HydrophobicContact CE-CG 4.28Å; M198-M275 HydrophobicContact CE-SD 3.77Å; M198-M275 HydrophobicContact CG-CG 4.45Å; M198-M275 HydrophobicContact SD-CE 4.04Å; M198-M275 HydrophobicContact SD-CG 4.24Å; M198-M275 HydrophobicContact SD-SD 3.62Å; M198-M275 VanDerWaalsContact SD-SD 3.62Å; C206-M275 HydrophobicContact CB-CE 4.02Å; C206-M275 HydrophobicContact CB-SD 4.09Å; L207-M275 HydrophobicContact CD2-CE 4.38Å; L271-M275 HydrophobicContact CD2-CE 3.87Å; L271-M275 HydrophobicContact CD2-SD 3.68Å; L271-M275 HydrophobicContact CG-SD 4.42Å; L271-M275 WeakPolarHBondContact O-CG 3.38Å; L271-M275 PolarHBondContact O-N 3.27Å; D272-M275 HydrophobicContact CB-CE 4.38Å; D272-M275 PolarHBondContact O-N 3.08Å; D272-M275 WeakPolarHBondContact OD1-CE 3.34Å; I273-M275 VanDerWaalsContact C-N 3.35Å; I273-M275 PolarHBondContact O-N 3Å; M275-C312 CarbonylContact C-O 3.59Å; M275-C312 HydrophobicContact CB-CB 4.34Å; M275-I335 HydrophobicContact CB-CD1 3.95Å
276G93.7Very high97.2Very high0 Ų04.3 Ų4.30%02%0.021CC..THydrogen-bonded Turntrans56.254.3-171.100000110.5D272 I273 A274 K437D272-G276 PolarHBondContact O-N 2.77Å; D272-G276 VanDerWaalsContact O-N 3.14Å; I273-G276 PolarHBondContact O-N 3.04Å; A274-G276 VanDerWaalsContact C-N 3.33Å; G276-K437 WeakPolarHBondContact O-CE 3.45Å; G276-K437 PolarHBondContact O-NZ 2.62Å
277G94.3Very high97.2Very high0 Ų01.2 Ų1.20%01%0.007CC..  trans-61.1-178.3-178.300000114.3D272 K437D272-G277 PolarHBondContact O-N 2.94Å; D272-G277 WeakPolarHBondContact OD1-CA 3.24Å; G277-K437 WeakPolarHBondContact O-CD 3.31Å; G277-K437 WeakPolarHBondContact O-CE 3.48Å; G277-K437 PolarHBondContact O-NZ 2.77Å
278S94.6Very high97.2Very high0 Ų01 Ų10%01%0.006CC..  trans-65.5141.5173179.70000110.6T200 S203 N280 T281 G518T200-S278 PolarHBondContact OG1-OG 3.46Å; S203-S278 PolarHBondContact OG-N 3.25Å; S203-S278 VanDerWaalsContact OG-N 3.14Å; S278-N280 PolarHBondContact O-N 3.3Å; S278-N280 VanDerWaalsContact O-N 3.16Å; S278-N280 WeakPolarHBondContact OG-CB 3.4Å; S278-N280 PolarHBondContact OG-N 2.67Å; S278-T281 PolarHBondContact O-N 2.76Å; S278-T281 VanDerWaalsContact O-N 3.13Å; S278-T281 PolarHBondContact O-OG1 3.05Å; S278-G518 WeakPolarHBondContact OG-CA 3.49Å
279T94.9Very high97.2Very high9 Ų91 Ų16%0.0551%0.006CC..THydrogen-bonded Turntrans-62.4-23.3173.3540000112.6T281 V282 L422 I435 K437 F516 H527T279-T281 PolarHBondContact O-N 3.01Å; T279-V282 WeakPolarHBondContact O-CB 3.49Å; T279-V282 PolarHBondContact O-N 3.15Å; T279-L422 HydrophobicContact CG2-CD2 4.14Å; T279-I435 HydrophobicContact CG2-CG2 3.61Å; T279-K437 HydrophobicContact CG2-CB 3.77Å; T279-F516 PolarHBondContact OG1-O 3.21Å; T279-H527 PolarHBondContact O-CE1 3.14Å; T279-H527 VanDerWaalsContact O-CE1 3.25Å
280N95.8Very high97.2Very high0 Ų05.1 Ų5.10%03%0.025CC..Hα-helixtrans-62.2-25.7175.8-72.7-35.2000113.3T200 S278 V282 L283 H284 E491 R515T200-N280 HydrophobicContact CG2-CB 3.46Å; T200-N280 VanDerWaalsContact CG2-CB 3.46Å; T200-N280 PolarHBondContact OG1-ND2 3.24Å; S278-N280 PolarHBondContact O-N 3.3Å; S278-N280 VanDerWaalsContact O-N 3.16Å; S278-N280 WeakPolarHBondContact OG-CB 3.4Å; S278-N280 PolarHBondContact OG-N 2.67Å; N280-V282 PolarHBondContact O-N 3.1Å; N280-L283 WeakPolarHBondContact O-CB 3.42Å; N280-L283 PolarHBondContact O-N 3.28Å; N280-L283 VanDerWaalsContact O-N 3.1Å; N280-H284 PolarHBondContact O-CD2 3.35Å; N280-H284 PolarHBondContact O-N 3.37Å; N280-E491 VanDerWaalsContact ND2-CD 3.3Å; N280-E491 PolarHBondContact ND2-OE1 2.87Å; N280-E491 PolarHBondContact ND2-OE2 2.83Å; N280-R515 VanDerWaalsContact CG-NH1 3.33Å; N280-R515 PolarHBondContact ND2-NH1 3.17Å; N280-R515 VanDerWaalsContact OD1-CD 3.28Å; N280-R515 WeakPolarHBondContact OD1-CD 3.21Å; N280-R515 PolarHBondContact OD1-NH1 3.02Å
281T96.9Very high97.1Very high0 Ų05.3 Ų5.30%03%0.026CC..Hα-helixtrans-60.7-33.8177.555.10000111.8S203 M204 L207 D272 S278 T279 L283 H284 L285S203-T281 VanDerWaalsContact CB-CG2 3.42Å; M204-T281 HydrophobicContact SD-CG2 4.13Å; L207-T281 HydrophobicContact CD1-CG2 3.65Å; D272-T281 VanDerWaalsContact OD2-CB 3.3Å; D272-T281 WeakPolarHBondContact OD2-CB 3.28Å; D272-T281 PolarHBondContact OD2-OG1 3.05Å; S278-T281 PolarHBondContact O-N 2.76Å; S278-T281 VanDerWaalsContact O-N 3.13Å; S278-T281 PolarHBondContact O-OG1 3.05Å; T279-T281 PolarHBondContact O-N 3.01Å; T281-L283 VanDerWaalsContact C-N 3.32Å; T281-L283 PolarHBondContact O-N 2.97Å; T281-H284 PolarHBondContact O-N 3.47Å; T281-L285 WeakPolarHBondContact O-CB 3.4Å; T281-L285 WeakPolarHBondContact O-CG 3.32Å; T281-L285 PolarHBondContact O-N 3.02Å
282V97.3Very high97.1Very high1 Ų15.6 Ų5.61%0.0063%0.028CC..Hα-helixtrans-57-50.2173.7168.90000109.7M269 T279 N280 H284 L285 L286 M298 I301 I435M269-V282 HydrophobicContact CE-CG2 4.24Å; T279-V282 WeakPolarHBondContact O-CB 3.49Å; T279-V282 PolarHBondContact O-N 3.15Å; N280-V282 PolarHBondContact O-N 3.1Å; V282-H284 VanDerWaalsContact C-N 3.3Å; V282-H284 PolarHBondContact O-N 3.23Å; V282-L285 PolarHBondContact O-N 3.12Å; V282-L286 HydrophobicContact CG1-CD1 3.74Å; V282-L286 HydrophobicContact CG1-CG 4.5Å; V282-L286 WeakPolarHBondContact O-CB 3.33Å; V282-L286 WeakPolarHBondContact O-CD1 3.5Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 3.32Å; V282-M298 HydrophobicContact CG1-SD 3.65Å; V282-I301 HydrophobicContact CB-CD1 4.31Å; V282-I301 HydrophobicContact CG1-CD1 3.6Å; V282-I301 HydrophobicContact CG2-CD1 4.29Å; V282-I301 HydrophobicContact CG2-CG2 4.31Å; V282-I435 HydrophobicContact CB-CG1 4.31Å; V282-I435 HydrophobicContact CG1-CD1 4.01Å; V282-I435 HydrophobicContact CG1-CG1 3.93Å; V282-I435 HydrophobicContact CG2-CD1 4.12Å; V282-I435 HydrophobicContact CG2-CG1 4.28Å; V282-I435 HydrophobicContact CG2-CG2 4.36Å
283L97.9Very high97Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-60-42.4178-17178.7000111.5L94 N280 T281 A287 M489 A603 G606 A607L94-L283 HydrophobicContact CD1-CD2 3.71Å; L94-L283 HydrophobicContact CD2-CD2 3.76Å; L94-L283 HydrophobicContact CG-CD2 4.41Å; N280-L283 WeakPolarHBondContact O-CB 3.42Å; N280-L283 PolarHBondContact O-N 3.28Å; N280-L283 VanDerWaalsContact O-N 3.1Å; T281-L283 VanDerWaalsContact C-N 3.32Å; T281-L283 PolarHBondContact O-N 2.97Å; L283-A287 WeakPolarHBondContact O-CB 3.46Å; L283-A287 PolarHBondContact O-N 3.23Å; L283-M489 HydrophobicContact CD1-SD 4.18Å; L283-M489 HydrophobicContact CD2-SD 4.14Å; L283-A603 HydrophobicContact CD1-CB 4.01Å; L283-A603 WeakPolarHBondContact CD1-O 3.42Å; L283-G606 VanDerWaalsContact CD1-C 3.46Å; L283-G606 VanDerWaalsContact O-CA 3.29Å; L283-G606 WeakPolarHBondContact O-CA 3.26Å; L283-A607 HydrophobicContact CD1-CB 3.9Å
284H98.4Very high97Very high1 Ų113.7 Ų13.71%0.0057%0.067CC..Hα-helixtrans-73.4-38-177.5-65.1-40.1000113.6P127 M204 N280 T281 V282 A287 A288P127-H284 HydrophobicContact CB-CB 3.81Å; P127-H284 HydrophobicContact CG-CB 4.49Å; M204-H284 HydrophobicContact CE-CB 4Å; M204-H284 HydrophobicContact SD-CB 3.53Å; M204-H284 VanDerWaalsContact SD-CB 3.53Å; N280-H284 PolarHBondContact O-CD2 3.35Å; N280-H284 PolarHBondContact O-N 3.37Å; T281-H284 PolarHBondContact O-N 3.47Å; V282-H284 VanDerWaalsContact C-N 3.3Å; V282-H284 PolarHBondContact O-N 3.23Å; H284-A287 PolarHBondContact O-N 3.31Å; H284-A288 WeakPolarHBondContact O-CB 3.4Å; H284-A288 PolarHBondContact O-N 2.85Å
285L98.4Very high96.9Very high0 Ų019.1 Ų19.10%010%0.096CC..Hα-helixtrans-68.6-42174.8-76.3175.8000110.9L207 L211 F265 M269 T281 V282 A287 A288 A289L207-L285 HydrophobicContact CD1-CD1 3.94Å; L207-L285 HydrophobicContact CD1-CD2 4.26Å; L207-L285 HydrophobicContact CD1-CG 4.02Å; L211-L285 HydrophobicContact CD1-CD2 4.37Å; F265-L285 HydrophobicContact CD1-CD2 4.01Å; F265-L285 HydrophobicContact CE1-CD2 4.03Å; F265-L285 WeakPolarHBondContact CE1-O 3.36Å; M269-L285 HydrophobicContact CB-CD1 4.24Å; M269-L285 HydrophobicContact SD-CD1 3.74Å; T281-L285 WeakPolarHBondContact O-CB 3.4Å; T281-L285 WeakPolarHBondContact O-CG 3.32Å; T281-L285 PolarHBondContact O-N 3.02Å; V282-L285 PolarHBondContact O-N 3.12Å; L285-A287 VanDerWaalsContact C-N 3.3Å; L285-A287 PolarHBondContact O-N 2.85Å; L285-A288 PolarHBondContact O-N 2.92Å; L285-A289 WeakPolarHBondContact O-CB 3.49Å; L285-A289 PolarHBondContact O-N 3.38Å
286L98.5Very high97Very high5 Ų519.4 Ų19.43%0.02610%0.097CC..Hα-helixtrans-60.1-42.8172.8-69.6165.9000111V282 A289 Q290 F296 M298 I301V282-L286 HydrophobicContact CG1-CD1 3.74Å; V282-L286 HydrophobicContact CG1-CG 4.5Å; V282-L286 WeakPolarHBondContact O-CB 3.33Å; V282-L286 WeakPolarHBondContact O-CD1 3.5Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 3.32Å; L286-A289 PolarHBondContact O-N 3.43Å; L286-Q290 VanDerWaalsContact O-CG 3.27Å; L286-Q290 WeakPolarHBondContact O-CG 3.46Å; L286-Q290 PolarHBondContact O-N 3.23Å; L286-Q290 VanDerWaalsContact O-N 3.09Å; L286-F296 HydrophobicContact CD2-CD1 4.49Å; L286-F296 WeakPolarHBondContact CD2-O 3.4Å; L286-M298 HydrophobicContact CD1-CG 4.07Å; L286-M298 HydrophobicContact CD1-SD 3.96Å; L286-I301 HydrophobicContact CD1-CD1 4.39Å; L286-I301 HydrophobicContact CD2-CD1 4.23Å; L286-I301 HydrophobicContact CG-CD1 4.17Å
287A98.6Very high97.2Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-63.2-46.6176.100000112.5M131 L283 H284 L285 A289 Q290 E291 V608M131-A287 HydrophobicContact CE-CB 4.45Å; M131-A287 HydrophobicContact CG-CB 4.41Å; M131-A287 HydrophobicContact SD-CB 3.84Å; L283-A287 WeakPolarHBondContact O-CB 3.46Å; L283-A287 PolarHBondContact O-N 3.23Å; H284-A287 PolarHBondContact O-N 3.31Å; L285-A287 VanDerWaalsContact C-N 3.3Å; L285-A287 PolarHBondContact O-N 2.85Å; A287-A289 VanDerWaalsContact C-N 3.35Å; A287-A289 PolarHBondContact O-N 3.07Å; A287-Q290 PolarHBondContact O-N 3.41Å; A287-E291 WeakPolarHBondContact O-CG 3.42Å; A287-E291 PolarHBondContact O-N 3.07Å; A287-V608 VanDerWaalsContact CA-CG1 3.43Å; A287-V608 HydrophobicContact CB-CG1 3.33Å
288A98.6Very high97.3Very high1 Ų122.6 Ų22.61%0.00812%0.116CC..Hα-helixtrans-62.3-41177.100000111.8L130 L134 F265 H284 L285 Q290 E291 A292L130-A288 HydrophobicContact CD2-CB 3.8Å; L130-A288 HydrophobicContact CG-CB 4.03Å; L134-A288 HydrophobicContact CD1-CB 3.68Å; L134-A288 WeakPolarHBondContact CD1-O 3.46Å; F265-A288 HydrophobicContact CE1-CB 3.9Å; F265-A288 HydrophobicContact CZ-CB 3.85Å; H284-A288 WeakPolarHBondContact O-CB 3.4Å; H284-A288 PolarHBondContact O-N 2.85Å; L285-A288 PolarHBondContact O-N 2.92Å; A288-Q290 PolarHBondContact O-N 3.35Å; A288-E291 PolarHBondContact O-N 3.45Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 3.25Å
289A98.4Very high97.4Very high1 Ų125 Ų251%0.00813%0.133CC..Hα-helixtrans-62.4-41.7177.300000112.3F265 L285 L286 A287 E291 A292 E293 I294 F296F265-A289 HydrophobicContact CD1-CB 4.22Å; F265-A289 HydrophobicContact CE1-CB 3.87Å; F265-A289 HydrophobicContact CZ-CB 4.31Å; L285-A289 WeakPolarHBondContact O-CB 3.49Å; L285-A289 PolarHBondContact O-N 3.38Å; L286-A289 PolarHBondContact O-N 3.43Å; A287-A289 VanDerWaalsContact C-N 3.35Å; A287-A289 PolarHBondContact O-N 3.07Å; A289-E291 VanDerWaalsContact C-N 3.28Å; A289-E291 PolarHBondContact O-N 3.17Å; A289-A292 CarbonylContact O-C 3.21Å; A289-A292 PolarHBondContact O-N 2.95Å; A289-E293 PolarHBondContact O-N 3.35Å; A289-I294 HydrophobicContact CB-CB 4.35Å; A289-I294 PolarHBondContact O-N 2.88Å; A289-F296 HydrophobicContact CB-CB 3.81Å
290Q97.2Very high97.5Very high85 Ų8525.7 Ų25.740%0.39714%0.136SC..Hα-helixtrans-59.4-37.8174.2-71.2-79.8-7.700112.5L286 A287 A288 E293 V608 K611L286-Q290 VanDerWaalsContact O-CG 3.27Å; L286-Q290 WeakPolarHBondContact O-CG 3.46Å; L286-Q290 PolarHBondContact O-N 3.23Å; L286-Q290 VanDerWaalsContact O-N 3.09Å; A287-Q290 PolarHBondContact O-N 3.41Å; A288-Q290 PolarHBondContact O-N 3.35Å; Q290-E293 PolarHBondContact O-N 3.48Å; Q290-V608 HydrophobicContact CB-CG2 4.34Å; Q290-V608 HydrophobicContact CG-CG2 4.3Å; Q290-K611 PolarHBondContact O-NZ 3.28Å
291E97.3Very high97.6Very high6 Ų625.8 Ų25.83%0.02814%0.136CC..Hα-helixtrans-81.2-22.7177.8-59.2-55.7-172.700114.2M131 L134 R135 R257 A287 A288 A289 E293 K611M131-E291 HydrophobicContact CB-CG 4.12Å; M131-E291 HydrophobicContact CE-CG 4.09Å; M131-E291 HydrophobicContact CG-CG 4.18Å; L134-E291 CarbonylContact C-O 3.52Å; L134-E291 HydrophobicContact CB-CB 4.22Å; R135-E291 HydrophobicContact CG-CB 3.83Å; R135-E291 HydrophobicContact CG-CG 3.92Å; R135-E291 WeakPolarHBondContact CG-OE2 3.36Å; R135-E291 IonicContact CZ-OE1 3.58Å; R135-E291 IonicContact NE-OE1 3.11Å; R135-E291 PolarHBondContact NE-OE1 2.67Å; R135-E291 IonicContact NE-OE2 3.22Å; R135-E291 PolarHBondContact NE-OE2 2.81Å; R135-E291 IonicContact NH2-OE1 3.35Å; R135-E291 PolarHBondContact NH2-OE1 2.9Å; R257-E291 PolarHBondContact NH2-O 2.93Å; A287-E291 WeakPolarHBondContact O-CG 3.42Å; A287-E291 PolarHBondContact O-N 3.07Å; A288-E291 PolarHBondContact O-N 3.45Å; A289-E291 VanDerWaalsContact C-N 3.28Å; A289-E291 PolarHBondContact O-N 3.17Å; E291-E293 VanDerWaalsContact C-N 3.29Å; E291-K611 WeakPolarHBondContact OE2-CE 3.36Å; E291-K611 IonicContact OE2-NZ 2.79Å; E291-K611 PolarHBondContact OE2-NZ 2.84Å
292A97.7Very high97.6Very high6 Ų626.5 Ų26.55%0.0514%0.14CC..Hα-helixtrans-81.7-8.5170.500000113.2L134 R257 F265 A288 A289 I294L134-A292 HydrophobicContact CB-CB 4.11Å; L134-A292 HydrophobicContact CD1-CB 4.14Å; L134-A292 HydrophobicContact CD2-CB 4.01Å; L134-A292 HydrophobicContact CG-CB 4.29Å; R257-A292 HydrophobicContact CG-CB 4.49Å; F265-A292 HydrophobicContact CE2-CB 4.5Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 3.25Å; A289-A292 CarbonylContact O-C 3.21Å; A289-A292 PolarHBondContact O-N 2.95Å; A292-I294 VanDerWaalsContact C-N 3.26Å; A292-I294 HydrophobicContact CB-CB 4.35Å; A292-I294 HydrophobicContact CB-CD1 3.55Å; A292-I294 HydrophobicContact CB-CG1 3.75Å; A292-I294 PolarHBondContact O-N 3.36Å
293E96.5Very high97.6Very high142 Ų14232.1 Ų32.166%0.66417%0.165SC*.THydrogen-bonded Turntrans5839.3-170.1-63.2156.1-139.700112.2R257 A289 Q290 E291R257-E293 IonicContact CZ-OE1 3.13Å; R257-E293 VanDerWaalsContact CZ-OE1 3.3Å; R257-E293 IonicContact NH1-OE1 3.41Å; R257-E293 PolarHBondContact NH1-OE1 3.01Å; R257-E293 IonicContact NH1-OE2 3.85Å; R257-E293 PolarHBondContact NH1-OE2 2.88Å; R257-E293 IonicContact NH2-OE1 2.69Å; R257-E293 PolarHBondContact NH2-OE1 3.2Å; A289-E293 PolarHBondContact O-N 3.35Å; Q290-E293 PolarHBondContact O-N 3.48Å; E291-E293 VanDerWaalsContact C-N 3.29Å
294I97.4Very high97.6Very high29 Ų2932.6 Ų32.615%0.14917%0.167CC..  trans-101.6129.3177.9-67.1170.7000109.2A260 K262 F265 A289 A292 F296A260-I294 WeakPolarHBondContact O-CD1 3.36Å; K262-I294 HydrophobicContact CB-CG2 3.84Å; K262-I294 HydrophobicContact CD-CG2 4.48Å; K262-I294 HydrophobicContact CG-CG2 4.12Å; F265-I294 HydrophobicContact CD2-CD1 3.69Å; F265-I294 HydrophobicContact CE2-CD1 3.58Å; A289-I294 HydrophobicContact CB-CB 4.35Å; A289-I294 PolarHBondContact O-N 2.88Å; A292-I294 VanDerWaalsContact C-N 3.26Å; A292-I294 HydrophobicContact CB-CB 4.35Å; A292-I294 HydrophobicContact CB-CD1 3.55Å; A292-I294 HydrophobicContact CB-CG1 3.75Å; A292-I294 PolarHBondContact O-N 3.36Å; I294-F296 HydrophobicContact CG2-CB 4.1Å; I294-F296 PolarHBondContact O-N 3.23Å
295D96.9Very high97.5Very high113 Ų11332.6 Ų32.660%0.60417%0.167SC*.  trans-71.788.1170.5177.337.9000110.3K262K262-D295 VanDerWaalsContact CE-O 3.22Å; K262-D295 WeakPolarHBondContact CE-O 3.39Å; K262-D295 PolarHBondContact NZ-O 3.19Å; K262-D295 IonicContact NZ-OD2 2.79Å
296F97.8Very high97.4Very high8 Ų838.5 Ų38.54%0.03519%0.19CC..  trans-138121.3176.5-171.2-95.7000109.5F265 E266 M269 L286 A289 I294 D300 I301 L304F265-F296 HydrophobicContact CB-CD2 4.16Å; F265-F296 HydrophobicContact CB-CE2 4.32Å; F265-F296 HydrophobicContact CB-CG 4.44Å; F265-F296 HydrophobicContact CD1-CD1 4.48Å; E266-F296 HydrophobicContact CG-CE2 4.07Å; M269-F296 HydrophobicContact CB-CZ 3.81Å; M269-F296 HydrophobicContact CG-CZ 4.01Å; L286-F296 HydrophobicContact CD2-CD1 4.49Å; L286-F296 WeakPolarHBondContact CD2-O 3.4Å; A289-F296 HydrophobicContact CB-CB 3.81Å; I294-F296 HydrophobicContact CG2-CB 4.1Å; I294-F296 PolarHBondContact O-N 3.23Å; F296-D300 HydrophobicContact CD2-CB 4.14Å; F296-D300 HydrophobicContact CE2-CB 4.06Å; F296-I301 HydrophobicContact CE1-CD1 3.96Å; F296-I301 HydrophobicContact CE1-CG1 3.65Å; F296-I301 HydrophobicContact CZ-CG1 3.88Å; F296-L304 HydrophobicContact CE2-CD1 4.46Å; F296-L304 HydrophobicContact CZ-CD1 4.46Å
297T97.1Very high97.3Very high54 Ų5443.9 Ų43.933%0.33121%0.213SC..  trans-130.7171.4-165.767.90000112.7S299 D300 I301T297-S299 PolarHBondContact O-N 3.35Å; T297-S299 PolarHBondContact OG1-N 2.86Å; T297-D300 PolarHBondContact N-OD2 3.48Å; T297-D300 WeakPolarHBondContact O-CB 3.33Å; T297-D300 PolarHBondContact O-N 3.09Å; T297-D300 PolarHBondContact OG1-OD2 3.32Å; T297-I301 PolarHBondContact O-N 2.9Å
298M96.7Very high97.3Very high14 Ų1443.9 Ų43.97%0.06921%0.213CC..Hα-helixtrans-53.8-31.2169.9-80.7-66-62.200113.5V282 L286 I301 D302 V424 I435 D604V282-M298 HydrophobicContact CG1-SD 3.65Å; L286-M298 HydrophobicContact CD1-CG 4.07Å; L286-M298 HydrophobicContact CD1-SD 3.96Å; M298-I301 PolarHBondContact O-N 2.87Å; M298-I301 HydrophobicContact SD-CD1 4.4Å; M298-D302 PolarHBondContact O-N 3.31Å; M298-V424 HydrophobicContact CE-CB 4.04Å; M298-V424 HydrophobicContact CE-CG1 3.26Å; M298-V424 HydrophobicContact CE-CG2 3.67Å; M298-I435 HydrophobicContact CE-CD1 3.42Å; M298-I435 VanDerWaalsContact CE-CD1 3.42Å; M298-I435 HydrophobicContact CE-CG1 4.03Å; M298-I435 HydrophobicContact SD-CD1 3.94Å; M298-I435 HydrophobicContact SD-CG1 4.35Å; M298-D604 HydrophobicContact CG-CB 3.91Å
299S96.5Very high97.2Very high51 Ų5144 Ų4436%0.35721%0.213SC..Hα-helixtrans-66.8-37.8176.2-174.80000111.9T297 D302 K303T297-S299 PolarHBondContact O-N 3.35Å; T297-S299 PolarHBondContact OG1-N 2.86Å; S299-D302 PolarHBondContact O-N 2.97Å; S299-K303 VanDerWaalsContact O-CG 3.27Å; S299-K303 WeakPolarHBondContact O-CG 3.5Å; S299-K303 PolarHBondContact O-N 3.38Å; S299-K303 WeakPolarHBondContact OG-CE 3.44Å
300D97.6Very high97.1Very high22 Ų2244.2 Ų44.212%0.11821%0.214CC..Hα-helixtrans-68.5-41.1178.2-55.6-53.2000110.5F296 T297 D302 K303 L304F296-D300 HydrophobicContact CD2-CB 4.14Å; F296-D300 HydrophobicContact CE2-CB 4.06Å; T297-D300 PolarHBondContact N-OD2 3.48Å; T297-D300 WeakPolarHBondContact O-CB 3.33Å; T297-D300 PolarHBondContact O-N 3.09Å; T297-D300 PolarHBondContact OG1-OD2 3.32Å; D300-D302 PolarHBondContact O-N 3.31Å; D300-K303 PolarHBondContact O-N 2.96Å; D300-K303 IonicContact OD1-NZ 2.9Å; D300-K303 PolarHBondContact OD1-NZ 3.2Å; D300-L304 VanDerWaalsContact O-CG 3.32Å; D300-L304 WeakPolarHBondContact O-CG 3.35Å; D300-L304 PolarHBondContact O-N 3.18Å
301I97.7Very high97.2Very high2 Ų240.2 Ų40.21%0.0120%0.195CC..Hα-helixtrans-60.6-44.7173.9-59.5176.6000111.1M269 V282 L286 F296 T297 M298 L304 S305 V424M269-I301 HydrophobicContact CE-CG2 4.07Å; M269-I301 HydrophobicContact CG-CB 4.48Å; M269-I301 HydrophobicContact CG-CG1 4.04Å; M269-I301 HydrophobicContact CG-CG2 4.27Å; M269-I301 HydrophobicContact SD-CB 4.37Å; M269-I301 HydrophobicContact SD-CD1 3.96Å; M269-I301 HydrophobicContact SD-CG1 3.78Å; M269-I301 HydrophobicContact SD-CG2 3.86Å; V282-I301 HydrophobicContact CB-CD1 4.31Å; V282-I301 HydrophobicContact CG1-CD1 3.6Å; V282-I301 HydrophobicContact CG2-CD1 4.29Å; V282-I301 HydrophobicContact CG2-CG2 4.31Å; L286-I301 HydrophobicContact CD1-CD1 4.39Å; L286-I301 HydrophobicContact CD2-CD1 4.23Å; L286-I301 HydrophobicContact CG-CD1 4.17Å; F296-I301 HydrophobicContact CE1-CD1 3.96Å; F296-I301 HydrophobicContact CE1-CG1 3.65Å; F296-I301 HydrophobicContact CZ-CG1 3.88Å; T297-I301 PolarHBondContact O-N 2.9Å; M298-I301 PolarHBondContact O-N 2.87Å; M298-I301 HydrophobicContact SD-CD1 4.4Å; I301-L304 PolarHBondContact O-N 3.1Å; I301-S305 WeakPolarHBondContact O-CB 3.35Å; I301-S305 PolarHBondContact O-N 2.88Å; I301-V424 HydrophobicContact CB-CG2 4.34Å; I301-V424 HydrophobicContact CG2-CG2 3.97Å
302D97.2Very high97.1Very high15 Ų1539.9 Ų39.98%0.0819%0.194CC..Hα-helixtrans-60.2-48.1176.5-177.242.6000111.5M298 S299 D300 L304 S305 R306 V424 Y426 R554M298-D302 PolarHBondContact O-N 3.31Å; S299-D302 PolarHBondContact O-N 2.97Å; D300-D302 PolarHBondContact O-N 3.31Å; D302-L304 VanDerWaalsContact C-N 3.28Å; D302-L304 PolarHBondContact O-N 3.47Å; D302-S305 WeakPolarHBondContact O-CB 3.34Å; D302-S305 PolarHBondContact O-N 2.72Å; D302-S305 VanDerWaalsContact O-N 3.11Å; D302-S305 PolarHBondContact O-OG 3.47Å; D302-S305 PolarHBondContact OD1-OG 3.42Å; D302-R306 VanDerWaalsContact CG-NE 3.31Å; D302-R306 WeakPolarHBondContact O-CG 3.11Å; D302-R306 PolarHBondContact O-N 2.86Å; D302-R306 IonicContact OD1-CZ 3.88Å; D302-R306 IonicContact OD1-NE 2.76Å; D302-R306 PolarHBondContact OD1-NE 3.32Å; D302-R306 VanDerWaalsContact OD1-NE 3.13Å; D302-R306 IonicContact OD1-NH2 3.02Å; D302-R306 PolarHBondContact OD1-NH2 2.99Å; D302-R306 IonicContact OD2-CZ 2.81Å; D302-R306 IonicContact OD2-NE 2.79Å; D302-R306 PolarHBondContact OD2-NE 3.16Å; D302-R306 IonicContact OD2-NH2 3.95Å; D302-R306 PolarHBondContact OD2-NH2 3.41Å; D302-V424 HydrophobicContact CB-CB 3.83Å; D302-V424 HydrophobicContact CB-CG1 4.43Å; D302-V424 HydrophobicContact CB-CG2 3.8Å; D302-Y426 HydrophobicContact CB-CE2 4.45Å; D302-R554 IonicContact OD1-NE 3.06Å
303K97.3Very high96.9Very high119 Ų11942.3 Ų42.352%0.51720%0.203SC..Hα-helixtrans-57-42.4177.9-69.9166.9-162.1158.40111.8S299 D300S299-K303 VanDerWaalsContact O-CG 3.27Å; S299-K303 WeakPolarHBondContact O-CG 3.5Å; S299-K303 PolarHBondContact O-N 3.38Å; S299-K303 WeakPolarHBondContact OG-CE 3.44Å; D300-K303 PolarHBondContact O-N 2.96Å; D300-K303 IonicContact OD1-NZ 2.9Å; D300-K303 PolarHBondContact OD1-NZ 3.2Å
304L97.7Very high96.7Very high10 Ų1035.6 Ų35.65%0.05217%0.172CC..Hα-helixtrans-66.4-45.4175.8-65.6176.7000111.2E266 M269 I273 F296 D300 I301 D302 R306 K307 V308E266-L304 HydrophobicContact CB-CD1 4.45Å; M269-L304 HydrophobicContact CB-CD1 3.69Å; M269-L304 HydrophobicContact CG-CD1 3.76Å; I273-L304 HydrophobicContact CD1-CB 3.61Å; F296-L304 HydrophobicContact CE2-CD1 4.46Å; F296-L304 HydrophobicContact CZ-CD1 4.46Å; D300-L304 VanDerWaalsContact O-CG 3.32Å; D300-L304 WeakPolarHBondContact O-CG 3.35Å; D300-L304 PolarHBondContact O-N 3.18Å; I301-L304 PolarHBondContact O-N 3.1Å; D302-L304 VanDerWaalsContact C-N 3.28Å; D302-L304 PolarHBondContact O-N 3.47Å; L304-R306 PolarHBondContact O-N 3.12Å; L304-R306 VanDerWaalsContact O-N 3.07Å; L304-K307 WeakPolarHBondContact O-CG 3.27Å; L304-K307 PolarHBondContact O-N 3.4Å; L304-V308 VanDerWaalsContact O-CG2 3.25Å; L304-V308 WeakPolarHBondContact O-CG2 3.42Å; L304-V308 PolarHBondContact O-N 3.48Å; L304-V308 VanDerWaalsContact O-N 3.09Å
305S96.4Very high96.5Very high1 Ų134.2 Ų34.21%0.00717%0.165CC..Hα-helixtrans-56.5-30.1-177.180.70000114.1I301 D302 G420 L422 R554I301-S305 WeakPolarHBondContact O-CB 3.35Å; I301-S305 PolarHBondContact O-N 2.88Å; D302-S305 WeakPolarHBondContact O-CB 3.34Å; D302-S305 PolarHBondContact O-N 2.72Å; D302-S305 VanDerWaalsContact O-N 3.11Å; D302-S305 PolarHBondContact O-OG 3.47Å; D302-S305 PolarHBondContact OD1-OG 3.42Å; S305-G420 PolarHBondContact O-N 2.98Å; S305-L422 WeakPolarHBondContact CB-O 3.3Å; S305-R554 PolarHBondContact O-NH2 2.83Å; S305-R554 PolarHBondContact OG-NH2 2.84Å
306R96.4Very high96Very high125 Ų12529.4 Ų29.447%0.47214%0.14SC..THydrogen-bonded Turntrans-79.9-18.4-177.8-66.7169.4-175.1-88.68.4114.3D302 L304D302-R306 VanDerWaalsContact CG-NE 3.31Å; D302-R306 WeakPolarHBondContact O-CG 3.11Å; D302-R306 PolarHBondContact O-N 2.86Å; D302-R306 IonicContact OD1-CZ 3.88Å; D302-R306 IonicContact OD1-NE 2.76Å; D302-R306 PolarHBondContact OD1-NE 3.32Å; D302-R306 VanDerWaalsContact OD1-NE 3.13Å; D302-R306 IonicContact OD1-NH2 3.02Å; D302-R306 PolarHBondContact OD1-NH2 2.99Å; D302-R306 IonicContact OD2-CZ 2.81Å; D302-R306 IonicContact OD2-NE 2.79Å; D302-R306 PolarHBondContact OD2-NE 3.16Å; D302-R306 IonicContact OD2-NH2 3.95Å; D302-R306 PolarHBondContact OD2-NH2 3.41Å; L304-R306 PolarHBondContact O-N 3.12Å; L304-R306 VanDerWaalsContact O-N 3.07Å
307K96.4Very high95.6Very high118 Ų11829.9 Ų29.951%0.51314%0.144SC..THydrogen-bonded Turntrans-114.7-19.6-17569.9176.7-173.3-1790113.6L304L304-K307 WeakPolarHBondContact O-CG 3.27Å; L304-K307 PolarHBondContact O-N 3.4Å
308V98.1Very high95.2Very high0 Ų028.7 Ų28.70%014%0.137CC..  trans-92.2124.1-175.2177.70000109.3T270 I273 A274 L304 L339 G420T270-V308 HydrophobicContact CG2-CB 4.48Å; T270-V308 HydrophobicContact CG2-CG1 3.94Å; T270-V308 HydrophobicContact CG2-CG2 3.65Å; T270-V308 WeakPolarHBondContact O-CG1 3.46Å; I273-V308 HydrophobicContact CB-CB 4.22Å; I273-V308 HydrophobicContact CB-CG1 3.95Å; I273-V308 HydrophobicContact CG2-CB 3.76Å; I273-V308 HydrophobicContact CG2-CG1 3.76Å; A274-V308 HydrophobicContact CB-CG1 4.02Å; L304-V308 VanDerWaalsContact O-CG2 3.25Å; L304-V308 WeakPolarHBondContact O-CG2 3.42Å; L304-V308 PolarHBondContact O-N 3.48Å; L304-V308 VanDerWaalsContact O-N 3.09Å; V308-L339 HydrophobicContact CG1-CD2 4.16Å; V308-G420 WeakPolarHBondContact O-CA 3.25Å; V308-G420 PolarHBondContact O-N 3.16Å; V308-G420 VanDerWaalsContact O-N 3.13Å
309P97.5Very high94.7Very high2 Ų232.6 Ų32.61%0.01316%0.155CC..  trans-76.8160.1177.735.1-40000111.8A274 L311 L344 L412 A415 S417A274-P309 VanDerWaalsContact CA-O 3.25Å; A274-P309 WeakPolarHBondContact CA-O 3.31Å; P309-L311 HydrophobicContact CB-CD2 3.96Å; P309-L311 HydrophobicContact CG-CD1 4.45Å; P309-L311 HydrophobicContact CG-CD2 3.54Å; P309-L311 HydrophobicContact CG-CG 3.92Å; P309-L311 PolarHBondContact O-N 2.97Å; P309-L344 VanDerWaalsContact CD-CD1 3.44Å; P309-L344 HydrophobicContact CG-CD1 4.29Å; P309-L412 HydrophobicContact CB-CD1 3.96Å; P309-L412 HydrophobicContact CG-CD1 3.67Å; P309-A415 HydrophobicContact CB-CB 3.94Å; P309-S417 WeakPolarHBondContact CA-O 3.15Å; P309-S417 WeakPolarHBondContact CB-O 3.39Å
310Q96.8Very high94.4Very high7 Ų737.2 Ų37.23%0.03317%0.169CC..BIsolated β-bridgetrans-83.4104.1166.9-172.1-171.6-0.500110.7A274 C312 Y416 S417 A439A274-Q310 CarbonylContact O-C 3.47Å; Q310-C312 WeakPolarHBondContact CG-O 3.44Å; Q310-C312 PolarHBondContact NE2-O 3.18Å; Q310-C312 VanDerWaalsContact NE2-O 3.17Å; Q310-Y416 PolarHBondContact O-N 3.02Å; Q310-S417 PolarHBondContact N-O 3.2Å; Q310-A439 VanDerWaalsContact NE2-CB 3.27Å
311L97.6Very high94.3Very high0 Ų038 Ų380%017%0.17CC..  trans-95.3-21.8-177.9-58.4-172.4000113.9A274 P309 E338 L339 R410 A415A274-L311 HydrophobicContact CB-CB 4.48Å; A274-L311 HydrophobicContact CB-CG 4.39Å; A274-L311 PolarHBondContact O-N 2.79Å; P309-L311 HydrophobicContact CB-CD2 3.96Å; P309-L311 HydrophobicContact CG-CD1 4.45Å; P309-L311 HydrophobicContact CG-CD2 3.54Å; P309-L311 HydrophobicContact CG-CG 3.92Å; P309-L311 PolarHBondContact O-N 2.97Å; L311-E338 HydrophobicContact CD1-CB 3.71Å; L311-L339 HydrophobicContact CD1-CD2 3.73Å; L311-L339 HydrophobicContact CD1-CG 3.88Å; L311-R410 PolarHBondContact O-N 3.27Å; L311-A415 HydrophobicContact CD2-CB 3.76Å
312C95.9Very high94.2Very high0 Ų038 Ų380%017%0.17CC..BIsolated β-bridgetrans-129.8140.1179.1-1730000110.2A274 M275 Q310 V314 I335 C408 I409A274-C312 PolarHBondContact O-N 2.98Å; M275-C312 CarbonylContact C-O 3.59Å; M275-C312 HydrophobicContact CB-CB 4.34Å; Q310-C312 WeakPolarHBondContact CG-O 3.44Å; Q310-C312 PolarHBondContact NE2-O 3.18Å; Q310-C312 VanDerWaalsContact NE2-O 3.17Å; C312-V314 WeakPolarHBondContact SG-CG2 3.18Å; C312-I335 HydrophobicContact CB-CD1 4.13Å; C312-C408 PolarHBondContact SG-O 3.48Å; C312-I409 HydrophobicContact CB-CG1 4.39Å
313K92.5Very high94.3Very high56 Ų5637.3 Ų37.324%0.24317%0.166CC..  trans-132.8116178.5-165.5165.1-176.2160.10107.9S317 T318 Y321 Y416 A439K313-S317 WeakPolarHBondContact CE-O 3.28Å; K313-T318 VanDerWaalsContact C-CG2 3.47Å; K313-T318 HydrophobicContact CB-CG2 4.32Å; K313-T318 HydrophobicContact CG-CG2 4.02Å; K313-T318 WeakPolarHBondContact O-CG2 3.46Å; K313-Y321 WeakPolarHBondContact O-CD2 3.32Å; K313-Y416 HydrophobicContact CB-CD1 3.9Å; K313-Y416 HydrophobicContact CB-CD2 3.84Å; K313-Y416 HydrophobicContact CB-CE1 3.83Å; K313-Y416 HydrophobicContact CB-CE2 3.79Å; K313-Y416 HydrophobicContact CB-CG 3.9Å; K313-Y416 HydrophobicContact CD-CD1 3.85Å; K313-Y416 HydrophobicContact CD-CE1 4.29Å; K313-Y416 HydrophobicContact CD-CG 4.22Å; K313-A439 WeakPolarHBondContact CE-O 3.16Å
314V93.9Very high94.3Very high1 Ų131.7 Ų31.71%0.00614%0.142CC..  trans-131.3157.8-172.6-170.30000108.3M198 C312 S317 Y321 V326M198-V314 HydrophobicContact CB-CB 3.77Å; M198-V314 HydrophobicContact CB-CG1 3.99Å; M198-V314 HydrophobicContact CB-CG2 4.43Å; M198-V314 HydrophobicContact CE-CG2 4.17Å; C312-V314 WeakPolarHBondContact SG-CG2 3.18Å; V314-S317 WeakPolarHBondContact O-CA 3.49Å; V314-S317 VanDerWaalsContact O-CB 3.32Å; V314-S317 WeakPolarHBondContact O-CB 3.35Å; V314-S317 PolarHBondContact O-N 2.87Å; V314-Y321 WeakPolarHBondContact CG1-O 3.2Å; V314-V326 HydrophobicContact CB-CG2 4.48Å; V314-V326 HydrophobicContact CG1-CG2 4.15Å; V314-V326 HydrophobicContact CG2-CG2 3.42Å; V314-V326 VanDerWaalsContact CG2-CG2 3.42Å
315A92.7Very high94.3Very high0 Ų031.8 Ų31.80%014%0.143CC..THydrogen-bonded Turntrans-43.3129.9170.500000110.8D163 G197 M198 T318 Y321D163-A315 WeakPolarHBondContact OD2-CB 3.4Å; G197-A315 CarbonylContact C-O 3.39Å; M198-A315 PolarHBondContact N-O 3.4Å; A315-T318 WeakPolarHBondContact CA-O 3.47Å; A315-T318 PolarHBondContact N-O 2.87Å; A315-Y321 PolarHBondContact N-O 3.26Å
316P87.3Confident94.4Very high13 Ų1331.8 Ų31.88%0.08414%0.143CC..THydrogen-bonded Turncis-90.6-314.240.6-39.3000114.1F199 T318 G518 G519 T520F199-P316 HydrophobicContact CE1-CB 4.23Å; F199-P316 HydrophobicContact CE1-CG 4.26Å; P316-T318 PolarHBondContact O-N 3.44Å; P316-G518 WeakPolarHBondContact CD-O 3.3Å; P316-G518 VanDerWaalsContact CG-O 3.32Å; P316-G518 WeakPolarHBondContact CG-O 3.43Å; P316-G519 VanDerWaalsContact CB-O 3.23Å; P316-G519 WeakPolarHBondContact CB-O 3.49Å; P316-G519 VanDerWaalsContact CG-C 3.49Å; P316-G519 WeakPolarHBondContact CG-O 3.39Å; P316-T520 WeakPolarHBondContact CG-O 3.43Å
317S87.6Confident94.5Very high18 Ų1825.9 Ų25.913%0.12612%0.12CC..SBendtrans-71-17.6-174.9-56.50000112.7K313 V314 K437 A439K313-S317 WeakPolarHBondContact CE-O 3.28Å; V314-S317 WeakPolarHBondContact O-CA 3.49Å; V314-S317 VanDerWaalsContact O-CB 3.32Å; V314-S317 WeakPolarHBondContact O-CB 3.35Å; V314-S317 PolarHBondContact O-N 2.87Å; S317-K437 WeakPolarHBondContact OG-CE 3.41Å; S317-A439 WeakPolarHBondContact CB-O 3.23Å
318T89.3Confident94.6Very high28 Ų2823.1 Ų23.117%0.17211%0.107CC..  trans-152.4151.8172.9-178.10000109.8K313 A315 P316 K320 Y321K313-T318 VanDerWaalsContact C-CG2 3.47Å; K313-T318 HydrophobicContact CB-CG2 4.32Å; K313-T318 HydrophobicContact CG-CG2 4.02Å; K313-T318 WeakPolarHBondContact O-CG2 3.46Å; A315-T318 WeakPolarHBondContact CA-O 3.47Å; A315-T318 PolarHBondContact N-O 2.87Å; P316-T318 PolarHBondContact O-N 3.44Å; T318-K320 VanDerWaalsContact C-N 3.34Å; T318-K320 PolarHBondContact OG1-N 3.49Å; T318-Y321 HydrophobicContact CG2-CD2 4.16Å
319Q85.9Confident94.6Very high97 Ų9723.1 Ų23.145%0.45311%0.107SC..SBendtrans-88-4.6174.7-69.8-66-1400113D166D166-Q319 PolarHBondContact OD1-NE2 2.74Å
320K91.2Very high94.7Very high147 Ų14723 Ų2364%0.63911%0.106SC*.SBendtrans-77.5-37.9-175.8-65.1-175.2177.7-175.90113.3K161 T318K161-K320 PolarHBondContact NZ-O 2.9Å; K161-K320 VanDerWaalsContact NZ-O 3.12Å; T318-K320 VanDerWaalsContact C-N 3.34Å; T318-K320 PolarHBondContact OG1-N 3.49Å
321Y94.9Very high94.8Very high39 Ų3922.7 Ų22.715%0.15311%0.105CC..  trans-128137.7-165.8-57.6-59.5000111.9K313 V314 A315 T318 D325 N406 C408 Y416K313-Y321 WeakPolarHBondContact O-CD2 3.32Å; V314-Y321 WeakPolarHBondContact CG1-O 3.2Å; A315-Y321 PolarHBondContact N-O 3.26Å; T318-Y321 HydrophobicContact CG2-CD2 4.16Å; Y321-D325 WeakPolarHBondContact CA-OD2 3.36Å; Y321-D325 HydrophobicContact CD1-CB 3.72Å; Y321-D325 HydrophobicContact CG-CB 4.39Å; Y321-N406 PolarHBondContact OH-O 3.04Å; Y321-C408 HydrophobicContact CD1-CB 3.87Å; Y321-C408 HydrophobicContact CD2-CB 4.28Å; Y321-C408 HydrophobicContact CE1-CB 3.91Å; Y321-C408 HydrophobicContact CE2-CB 4.34Å; Y321-C408 HydrophobicContact CG-CB 4.06Å; Y321-Y416 WeakPolarHBondContact CE2-OH 3.15Å
322H96.5Very high94.8Very high1 Ų122.8 Ų22.81%0.00511%0.105CC..  trans-122.3179.9170.2-70.673.4000109.2A150 D163 S196 E324 D325 V326A150-H322 HydrophobicContact CB-CB 3.91Å; D163-H322 IonicContact OD2-NE2 2.76Å; S196-H322 PolarHBondContact OG-CD2 3.4Å; H322-E324 HydrophobicContact CB-CG 4.28Å; H322-E324 PolarHBondContact O-N 2.93Å; H322-D325 PolarHBondContact N-OD2 3.45Å; H322-D325 WeakPolarHBondContact O-CB 3.31Å; H322-D325 PolarHBondContact O-N 3.49Å; H322-V326 PolarHBondContact O-N 3.22Å
323M97.6Very high94.9Very high1 Ų123 Ų231%0.00511%0.106CC..Hα-helixtrans-59.5-31-176.7-163.154.852.100113.6P147 S196 M198 N202 D325 V326 H327P147-M323 HydrophobicContact CB-CB 3.92Å; P147-M323 HydrophobicContact CB-CG 3.87Å; P147-M323 HydrophobicContact CG-CB 4.09Å; P147-M323 HydrophobicContact CG-CG 3.61Å; S196-M323 WeakPolarHBondContact O-CB 3.37Å; S196-M323 PolarHBondContact O-N 3.25Å; M198-M323 HydrophobicContact CB-CE 4.41Å; M198-M323 HydrophobicContact CE-CE 3.3Å; M198-M323 HydrophobicContact CE-SD 4.16Å; M198-M323 HydrophobicContact SD-CE 3.61Å; N202-M323 HydrophobicContact CB-CE 3.52Å; M323-D325 VanDerWaalsContact C-N 3.26Å; M323-D325 PolarHBondContact O-N 2.66Å; M323-V326 WeakPolarHBondContact O-CB 3.45Å; M323-V326 PolarHBondContact O-N 3.11Å; M323-V326 HydrophobicContact SD-CB 3.98Å; M323-V326 HydrophobicContact SD-CG1 4.23Å; M323-V326 HydrophobicContact SD-CG2 4.24Å; M323-H327 PolarHBondContact O-N 2.97Å
324E97.8Very high95.2Very high2 Ų220.3 Ų20.31%0.00910%0.095CC..Hα-helixtrans-60.5-33.8173.263.2-172.4-141.600113.1A150 L222 H322 R328 P382A150-E324 PolarHBondContact N-OE2 2.76Å; A150-E324 VanDerWaalsContact N-OE2 3.1Å; L222-E324 HydrophobicContact CD1-CB 3.96Å; L222-E324 HydrophobicContact CD2-CB 4.17Å; L222-E324 HydrophobicContact CG-CB 4.32Å; H322-E324 HydrophobicContact CB-CG 4.28Å; H322-E324 PolarHBondContact O-N 2.93Å; E324-R328 PolarHBondContact O-N 2.9Å; E324-P382 WeakPolarHBondContact OE2-CB 3.32Å; E324-P382 WeakPolarHBondContact OE2-CG 3.47Å
325D98Very high95.5Very high12 Ų1220.3 Ų20.36%0.06410%0.095CC..Hα-helixtrans-78.4-36.6176.7-52.7-78.8000111K161 Y321 H322 M323 H327 R328 A329K161-D325 IonicContact NZ-OD1 2.66Å; K161-D325 PolarHBondContact NZ-OD1 2.72Å; K161-D325 IonicContact NZ-OD2 2.95Å; K161-D325 PolarHBondContact NZ-OD2 3.21Å; Y321-D325 WeakPolarHBondContact CA-OD2 3.36Å; Y321-D325 HydrophobicContact CD1-CB 3.72Å; Y321-D325 HydrophobicContact CG-CB 4.39Å; H322-D325 PolarHBondContact N-OD2 3.45Å; H322-D325 WeakPolarHBondContact O-CB 3.31Å; H322-D325 PolarHBondContact O-N 3.49Å; M323-D325 VanDerWaalsContact C-N 3.26Å; M323-D325 PolarHBondContact O-N 2.66Å; D325-H327 VanDerWaalsContact C-N 3.28Å; D325-H327 PolarHBondContact O-N 3.26Å; D325-R328 WeakPolarHBondContact O-CB 3.27Å; D325-R328 PolarHBondContact O-N 2.86Å; D325-A329 PolarHBondContact O-N 2.98Å
326V98.4Very high95.7Very high1 Ų120.8 Ų20.81%0.00610%0.097CC..Hα-helixtrans-60.3-42.4172.5-177.30000110.1M198 V314 H322 M323 A329 G331 I335M198-V326 HydrophobicContact CE-CG2 4.4Å; V314-V326 HydrophobicContact CB-CG2 4.48Å; V314-V326 HydrophobicContact CG1-CG2 4.15Å; V314-V326 HydrophobicContact CG2-CG2 3.42Å; V314-V326 VanDerWaalsContact CG2-CG2 3.42Å; H322-V326 PolarHBondContact O-N 3.22Å; M323-V326 WeakPolarHBondContact O-CB 3.45Å; M323-V326 PolarHBondContact O-N 3.11Å; M323-V326 HydrophobicContact SD-CB 3.98Å; M323-V326 HydrophobicContact SD-CG1 4.23Å; M323-V326 HydrophobicContact SD-CG2 4.24Å; V326-A329 PolarHBondContact O-N 3.16Å; V326-G331 VanDerWaalsContact O-CA 3.27Å; V326-G331 WeakPolarHBondContact O-CA 3.43Å; V326-G331 PolarHBondContact O-N 2.8Å; V326-I335 HydrophobicContact CG1-CD1 4.42Å
327H98.6Very high96.3Very high1 Ų120.1 Ų20.11%0.0059%0.093CC..Hα-helixtrans-59.2-49.7175-168.371.9000111.5S220 L221 M323 D325 A329 G330 G331 M377 F378S220-H327 PolarHBondContact OG-ND1 3.38Å; L221-H327 WeakPolarHBondContact CA-ND1 3.29Å; L221-H327 WeakPolarHBondContact CD1-NE2 3.36Å; L221-H327 PolarHBondContact N-ND1 3.44Å; M323-H327 PolarHBondContact O-N 2.97Å; D325-H327 VanDerWaalsContact C-N 3.28Å; D325-H327 PolarHBondContact O-N 3.26Å; H327-A329 PolarHBondContact O-N 3.3Å; H327-A329 VanDerWaalsContact O-N 3.14Å; H327-G330 PolarHBondContact O-N 2.83Å; H327-G331 PolarHBondContact O-N 2.48Å; H327-M377 PolarHBondContact NE2-O 2.61Å; H327-F378 PolarHBondContact CD2-O 2.94Å; H327-F378 AromaticContact CE1-CD1 3.67Å; H327-F378 AromaticContact ND1-CD1 3.93Å; H327-F378 WeakPolarHBondContact NE2-CA 3.32Å; H327-F378 WeakPolarHBondContact O-CD1 3.48Å
328R98.6Very high96.8Very high59 Ų5919.8 Ų19.822%0.2239%0.089CC..Hα-helixtrans-55.3-31.1176.2-168.7-172.2175.8-172.6-6.6113.3E324 D325 G330 F378 W397 T399 L400 D401E324-R328 PolarHBondContact O-N 2.9Å; D325-R328 WeakPolarHBondContact O-CB 3.27Å; D325-R328 PolarHBondContact O-N 2.86Å; R328-G330 VanDerWaalsContact C-N 3.28Å; R328-G330 PolarHBondContact O-N 3.45Å; R328-F378 VanDerWaalsContact CA-O 3.29Å; R328-F378 WeakPolarHBondContact CA-O 3.27Å; R328-W397 HydrophobicContact CG-CB 4.28Å; R328-W397 HydrophobicContact CG-CG 3.94Å; R328-T399 PolarHBondContact NE-O 2.78Å; R328-T399 PolarHBondContact NH2-O 3.02Å; R328-T399 PolarHBondContact NH2-OG1 3.06Å; R328-L400 WeakPolarHBondContact O-CD2 3.38Å; R328-D401 HydrophobicContact CG-CB 4.21Å; R328-D401 PolarHBondContact O-N 2.97Å
329A98.6Very high97.3Very high0 Ų018.5 Ų18.50%08%0.081CC..THydrogen-bonded Turntrans-821.417900000115.2D325 V326 H327 D401 R404 C408 I409D325-A329 PolarHBondContact O-N 2.98Å; V326-A329 PolarHBondContact O-N 3.16Å; H327-A329 PolarHBondContact O-N 3.3Å; H327-A329 VanDerWaalsContact O-N 3.14Å; A329-D401 VanDerWaalsContact CA-O 3.24Å; A329-D401 WeakPolarHBondContact CA-O 3.48Å; A329-D401 HydrophobicContact CB-CB 3.95Å; A329-R404 PolarHBondContact O-NH1 3.47Å; A329-R404 PolarHBondContact O-NH2 2.92Å; A329-C408 HydrophobicContact CB-CB 4Å; A329-I409 HydrophobicContact CB-CB 4.18Å; A329-I409 HydrophobicContact CB-CD1 3.64Å; A329-I409 HydrophobicContact CB-CG1 3.77Å
330G98.6Very high97.9Very high1 Ų115.4 Ų15.41%0.017%0.068CC..THydrogen-bonded Turntrans106.25.7-176.700000114.2H327 R328 G334 F378H327-G330 PolarHBondContact O-N 2.83Å; R328-G330 VanDerWaalsContact C-N 3.28Å; R328-G330 PolarHBondContact O-N 3.45Å; G330-G334 PolarHBondContact O-N 3.47Å; G330-F378 WeakPolarHBondContact O-CE1 3.28Å; G330-F378 WeakPolarHBondContact O-CZ 3.16Å
331G98.4Very high98.2Very high0 Ų013.3 Ų13.30%06%0.056CC..Hα-helixtrans61.1-149.3175.700000114S220 V326 H327 I333 G334 I335S220-G331 WeakPolarHBondContact OG-CA 3.33Å; V326-G331 VanDerWaalsContact O-CA 3.27Å; V326-G331 WeakPolarHBondContact O-CA 3.43Å; V326-G331 PolarHBondContact O-N 2.8Å; H327-G331 PolarHBondContact O-N 2.48Å; G331-I333 VanDerWaalsContact C-N 3.3Å; G331-I333 PolarHBondContact O-N 3.26Å; G331-G334 PolarHBondContact O-N 2.88Å; G331-I335 PolarHBondContact O-N 3.31Å
332V98.7Very high98.3Very high1 Ų112.8 Ų12.81%0.0066%0.06CC..Hα-helixtrans-57-43.6177167.90000111.4C206 E209 L271 G334 I335 L336C206-V332 HydrophobicContact CB-CG2 3.6Å; C206-V332 VanDerWaalsContact SG-CG2 3.52Å; E209-V332 HydrophobicContact CB-CG1 4.04Å; E209-V332 HydrophobicContact CB-CG2 4.42Å; E209-V332 HydrophobicContact CG-CB 4.17Å; E209-V332 HydrophobicContact CG-CG1 3.81Å; E209-V332 WeakPolarHBondContact OE1-CB 2.99Å; L271-V332 HydrophobicContact CD1-CG1 3.74Å; V332-G334 VanDerWaalsContact C-N 3.3Å; V332-G334 PolarHBondContact O-N 3.13Å; V332-I335 PolarHBondContact O-N 2.75Å; V332-I335 VanDerWaalsContact O-N 3.15Å; V332-L336 HydrophobicContact CG1-CD1 4.01Å; V332-L336 HydrophobicContact CG1-CG 4.36Å; V332-L336 WeakPolarHBondContact O-CG 3.45Å; V332-L336 PolarHBondContact O-N 3.41Å
333I98.7Very high98.4Very high5 Ų515.9 Ų15.93%0.0269%0.092CC..Hα-helixtrans-63.5-37.3179.9-54.4-53.8000111.5P216 G331 I335 L336 G337 T360 L361 D365P216-I333 HydrophobicContact CB-CD1 4.31Å; P216-I333 HydrophobicContact CB-CG1 3.97Å; P216-I333 HydrophobicContact CG-CD1 4.29Å; P216-I333 HydrophobicContact CG-CG1 4.42Å; G331-I333 VanDerWaalsContact C-N 3.3Å; G331-I333 PolarHBondContact O-N 3.26Å; I333-I335 VanDerWaalsContact C-N 3.34Å; I333-I335 PolarHBondContact O-N 3.24Å; I333-L336 HydrophobicContact CD1-CD1 4.32Å; I333-L336 PolarHBondContact O-N 3.44Å; I333-G337 PolarHBondContact O-N 3.32Å; I333-T360 HydrophobicContact CD1-CG2 4.1Å; I333-L361 HydrophobicContact CG2-CD2 3.94Å; I333-D365 HydrophobicContact CG2-CB 4.11Å
334G98.6Very high98.4Very high0 Ų017.5 Ų17.50%010%0.1CC..Hα-helixtrans-60.1-41.6173.700000112.8G330 G331 V332 G337 E338G330-G334 PolarHBondContact O-N 3.47Å; G331-G334 PolarHBondContact O-N 2.88Å; V332-G334 VanDerWaalsContact C-N 3.3Å; V332-G334 PolarHBondContact O-N 3.13Å; G334-G337 PolarHBondContact O-N 2.79Å; G334-E338 PolarHBondContact O-N 3.44Å
335I98.7Very high98.5Very high1 Ų118.2 Ų18.21%0.00510%0.104CC..Hα-helixtrans-67.1-45.9176.2-55.4177.5000110.4L271 A274 M275 C312 V326 G331 V332 I333 G337 E338 L339 I409L271-I335 HydrophobicContact CD1-CB 4.11Å; L271-I335 HydrophobicContact CD1-CG2 4.13Å; L271-I335 HydrophobicContact CG-CG2 4.33Å; A274-I335 HydrophobicContact CB-CG2 4.19Å; M275-I335 HydrophobicContact CB-CD1 3.95Å; C312-I335 HydrophobicContact CB-CD1 4.13Å; V326-I335 HydrophobicContact CG1-CD1 4.42Å; G331-I335 PolarHBondContact O-N 3.31Å; V332-I335 PolarHBondContact O-N 2.75Å; V332-I335 VanDerWaalsContact O-N 3.15Å; I333-I335 VanDerWaalsContact C-N 3.34Å; I333-I335 PolarHBondContact O-N 3.24Å; I335-G337 VanDerWaalsContact C-N 3.29Å; I335-G337 PolarHBondContact O-N 2.56Å; I335-E338 PolarHBondContact O-N 2.9Å; I335-L339 HydrophobicContact CG2-CD1 3.92Å; I335-L339 WeakPolarHBondContact O-CG 3.35Å; I335-L339 PolarHBondContact O-N 3.11Å; I335-L339 VanDerWaalsContact O-N 3.09Å; I335-I409 HydrophobicContact CD1-CD1 4.43Å; I335-I409 HydrophobicContact CG1-CD1 3.57Å; I335-I409 HydrophobicContact CG1-CG1 3.91Å; I335-I409 HydrophobicContact CG1-CG2 4.27Å
336L98.8Very high98.5Very high9 Ų920.3 Ų20.35%0.04712%0.115CC..Hα-helixtrans-61.1-37.8176.6-67.8176.2000112L271 V332 I333 L339 D340 L345 L357 L361L271-L336 HydrophobicContact CB-CD2 4.11Å; L271-L336 HydrophobicContact CD1-CD1 4.43Å; L271-L336 HydrophobicContact CD1-CD2 3.56Å; L271-L336 HydrophobicContact CD1-CG 3.63Å; L271-L336 HydrophobicContact CG-CD2 4.48Å; V332-L336 HydrophobicContact CG1-CD1 4.01Å; V332-L336 HydrophobicContact CG1-CG 4.36Å; V332-L336 WeakPolarHBondContact O-CG 3.45Å; V332-L336 PolarHBondContact O-N 3.41Å; I333-L336 HydrophobicContact CD1-CD1 4.32Å; I333-L336 PolarHBondContact O-N 3.44Å; L336-L339 PolarHBondContact O-N 3.24Å; L336-D340 WeakPolarHBondContact O-CB 3.06Å; L336-D340 PolarHBondContact O-N 3.07Å; L336-L345 HydrophobicContact CB-CD1 4.09Å; L336-L345 HydrophobicContact CD2-CD1 3.83Å; L336-L345 HydrophobicContact CD2-CD2 4.42Å; L336-L345 WeakPolarHBondContact O-CD1 3.39Å; L336-L357 HydrophobicContact CD1-CD1 4.44Å; L336-L361 HydrophobicContact CB-CD2 4.17Å
337G98.6Very high98.5Very high0 Ų026.5 Ų26.50%014%0.138CC..Hα-helixtrans-60.7-45.7176.900000112.5I333 G334 I335 L339 D340 R341I333-G337 PolarHBondContact O-N 3.32Å; G334-G337 PolarHBondContact O-N 2.79Å; I335-G337 VanDerWaalsContact C-N 3.29Å; I335-G337 PolarHBondContact O-N 2.56Å; G337-L339 VanDerWaalsContact C-N 3.35Å; G337-D340 PolarHBondContact O-N 3.28Å; G337-R341 VanDerWaalsContact C-NH2 3.27Å; G337-R341 WeakPolarHBondContact O-CG 3.32Å; G337-R341 PolarHBondContact O-N 3Å; G337-R341 PolarHBondContact O-NE 3.26Å; G337-R341 PolarHBondContact O-NH1 2.89Å
338E98.7Very high98.4Very high11 Ų1133 Ų335%0.05117%0.173CC..Hα-helixtrans-67.3-35.8176.7-65.2-53.8136.500112.3L311 G334 I335 R341 A342 R404 I409 S411L311-E338 HydrophobicContact CD1-CB 3.71Å; G334-E338 PolarHBondContact O-N 3.44Å; I335-E338 PolarHBondContact O-N 2.9Å; E338-R341 VanDerWaalsContact CD-NE 3.35Å; E338-R341 PolarHBondContact O-N 3.3Å; E338-R341 IonicContact OE1-CZ 3.48Å; E338-R341 VanDerWaalsContact OE1-CZ 3.25Å; E338-R341 IonicContact OE1-NE 2.78Å; E338-R341 PolarHBondContact OE1-NE 2.98Å; E338-R341 IonicContact OE1-NH2 3.23Å; E338-R341 PolarHBondContact OE1-NH2 3.48Å; E338-R341 IonicContact OE2-NE 3.24Å; E338-R341 PolarHBondContact OE2-NE 3.25Å; E338-A342 WeakPolarHBondContact O-CB 3.49Å; E338-A342 PolarHBondContact O-N 3.14Å; E338-R404 WeakPolarHBondContact OE1-CD 3.47Å; E338-R404 WeakPolarHBondContact OE1-CG 3.37Å; E338-R404 IonicContact OE1-NE 3.2Å; E338-R404 PolarHBondContact OE1-NE 3.15Å; E338-I409 HydrophobicContact CG-CG2 4.03Å; E338-S411 WeakPolarHBondContact OE2-CA 3.43Å
339L98.7Very high98.4Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-68.8-37.1175.4-69.3165.7000112.5T270 L271 A274 V308 L311 I335 L336 G337 A342 G343 L344 L345T270-L339 HydrophobicContact CG2-CD1 4.05Å; T270-L339 HydrophobicContact CG2-CD2 4.01Å; T270-L339 HydrophobicContact CG2-CG 4.49Å; L271-L339 HydrophobicContact CB-CD1 4.48Å; A274-L339 HydrophobicContact CB-CD1 3.88Å; A274-L339 HydrophobicContact CB-CD2 3.88Å; A274-L339 HydrophobicContact CB-CG 4.27Å; V308-L339 HydrophobicContact CG1-CD2 4.16Å; L311-L339 HydrophobicContact CD1-CD2 3.73Å; L311-L339 HydrophobicContact CD1-CG 3.88Å; I335-L339 HydrophobicContact CG2-CD1 3.92Å; I335-L339 WeakPolarHBondContact O-CG 3.35Å; I335-L339 PolarHBondContact O-N 3.11Å; I335-L339 VanDerWaalsContact O-N 3.09Å; L336-L339 PolarHBondContact O-N 3.24Å; G337-L339 VanDerWaalsContact C-N 3.35Å; L339-A342 CarbonylContact O-C 3.53Å; L339-A342 PolarHBondContact O-N 2.85Å; L339-G343 PolarHBondContact O-N 3.47Å; L339-L344 HydrophobicContact CD2-CB 4.49Å; L339-L344 HydrophobicContact CD2-CD1 3.97Å; L339-L344 PolarHBondContact O-N 3.15Å; L339-L345 HydrophobicContact CB-CD1 3.8Å; L339-L345 HydrophobicContact CB-CD2 4.02Å; L339-L345 HydrophobicContact CB-CG 3.73Å; L339-L345 HydrophobicContact CD1-CD2 4.39Å
340D98.6Very high98.4Very high32 Ų3235.6 Ų35.617%0.17119%0.187CC..Hα-helixtrans-65-44.2172.8-174.571.4000110.8L336 G337 A342 G343 L345 R347 L361L336-D340 WeakPolarHBondContact O-CB 3.06Å; L336-D340 PolarHBondContact O-N 3.07Å; G337-D340 PolarHBondContact O-N 3.28Å; D340-A342 PolarHBondContact O-N 3.41Å; D340-G343 WeakPolarHBondContact O-CA 3.33Å; D340-G343 PolarHBondContact O-N 3.48Å; D340-L345 HydrophobicContact CB-CD1 4.21Å; D340-R347 WeakPolarHBondContact OD1-CD 3.17Å; D340-R347 WeakPolarHBondContact OD1-CG 3.35Å; D340-R347 IonicContact OD1-NE 2.84Å; D340-R347 PolarHBondContact OD1-NE 2.68Å; D340-R347 VanDerWaalsContact OD1-NE 3.09Å; D340-R347 IonicContact OD2-NE 2.7Å; D340-R347 IonicContact OD2-NH2 2.73Å; D340-L361 HydrophobicContact CB-CD1 3.55Å
341R98.3Very high98.3Very high104 Ų10436.4 Ų36.439%0.39219%0.191SC..Hα-helixtrans-59.3-32.5173.2-76.3-179.5-82.8-75.310.6112.7G337 E338 G343 D365G337-R341 VanDerWaalsContact C-NH2 3.27Å; G337-R341 WeakPolarHBondContact O-CG 3.32Å; G337-R341 PolarHBondContact O-N 3Å; G337-R341 PolarHBondContact O-NE 3.26Å; G337-R341 PolarHBondContact O-NH1 2.89Å; E338-R341 VanDerWaalsContact CD-NE 3.35Å; E338-R341 PolarHBondContact O-N 3.3Å; E338-R341 IonicContact OE1-CZ 3.48Å; E338-R341 VanDerWaalsContact OE1-CZ 3.25Å; E338-R341 IonicContact OE1-NE 2.78Å; E338-R341 PolarHBondContact OE1-NE 2.98Å; E338-R341 IonicContact OE1-NH2 3.23Å; E338-R341 PolarHBondContact OE1-NH2 3.48Å; E338-R341 IonicContact OE2-NE 3.24Å; E338-R341 PolarHBondContact OE2-NE 3.25Å; R341-G343 VanDerWaalsContact C-N 3.26Å; R341-G343 PolarHBondContact O-N 3.12Å; R341-D365 IonicContact CZ-OD2 3.07Å; R341-D365 VanDerWaalsContact CZ-OD2 3.31Å; R341-D365 IonicContact NH1-OD2 3.34Å; R341-D365 PolarHBondContact NH1-OD2 2.88Å; R341-D365 IonicContact NH2-OD1 3.8Å; R341-D365 IonicContact NH2-OD2 3.25Å; R341-D365 PolarHBondContact NH2-OD2 3.11Å
342A97.7Very high98.3Very high28 Ų2836.4 Ų36.423%0.23119%0.191CC..THydrogen-bonded Turntrans-78.5-4173.500000114E338 L339 D340 L344 L412E338-A342 WeakPolarHBondContact O-CB 3.49Å; E338-A342 PolarHBondContact O-N 3.14Å; L339-A342 CarbonylContact O-C 3.53Å; L339-A342 PolarHBondContact O-N 2.85Å; D340-A342 PolarHBondContact O-N 3.41Å; A342-L344 VanDerWaalsContact C-N 3.32Å; A342-L344 HydrophobicContact CB-CD1 3.88Å; A342-L344 HydrophobicContact CB-CG 3.97Å; A342-L344 PolarHBondContact O-N 2.96Å; A342-L412 HydrophobicContact CB-CB 4.27Å; A342-L412 HydrophobicContact CB-CD2 4.11Å
343G98.1Very high98.3Very high65 Ų6537.1 Ų37.167%0.6720%0.195SC*.THydrogen-bonded Turntrans70.325.2-178.300000113.9L339 D340 R341L339-G343 PolarHBondContact O-N 3.47Å; D340-G343 WeakPolarHBondContact O-CA 3.33Å; D340-G343 PolarHBondContact O-N 3.48Å; R341-G343 VanDerWaalsContact C-N 3.26Å; R341-G343 PolarHBondContact O-N 3.12Å
344L98.2Very high98.1Very high35 Ų3538.1 Ų38.118%0.18321%0.207CC..  trans-99.5-4-172.8-66.9175.4000114.2T270 P309 L339 A342T270-L344 HydrophobicContact CG2-CB 4.34Å; P309-L344 VanDerWaalsContact CD-CD1 3.44Å; P309-L344 HydrophobicContact CG-CD1 4.29Å; L339-L344 HydrophobicContact CD2-CB 4.49Å; L339-L344 HydrophobicContact CD2-CD1 3.97Å; L339-L344 PolarHBondContact O-N 3.15Å; A342-L344 VanDerWaalsContact C-N 3.32Å; A342-L344 HydrophobicContact CB-CD1 3.88Å; A342-L344 HydrophobicContact CB-CG 3.97Å; A342-L344 PolarHBondContact O-N 2.96Å
345L98.6Very high98.1Very high18 Ų1839.8 Ų39.89%0.09422%0.215CC..SBendtrans-110.9147-175.9-62-176.3000112.9N267 T270 L336 L339 D340 L357N267-L345 HydrophobicContact CB-CD2 4.22Å; T270-L345 HydrophobicContact CG2-CD2 3.76Å; L336-L345 HydrophobicContact CB-CD1 4.09Å; L336-L345 HydrophobicContact CD2-CD1 3.83Å; L336-L345 HydrophobicContact CD2-CD2 4.42Å; L336-L345 WeakPolarHBondContact O-CD1 3.39Å; L339-L345 HydrophobicContact CB-CD1 3.8Å; L339-L345 HydrophobicContact CB-CD2 4.02Å; L339-L345 HydrophobicContact CB-CG 3.73Å; L339-L345 HydrophobicContact CD1-CD2 4.39Å; D340-L345 HydrophobicContact CB-CD1 4.21Å; L345-L357 HydrophobicContact CB-CD2 3.81Å; L345-L357 HydrophobicContact CD1-CD2 3.8Å; L345-L357 HydrophobicContact CG-CD2 4.46Å
346N98.4Very high98.1Very high55 Ų5541.5 Ų41.529%0.29423%0.226SC..  trans-77122.3164.6-171.4-51.9000109.5A263 N267 D348 L357A263-N346 HydrophobicContact CB-CB 4.04Å; N267-N346 PolarHBondContact ND2-O 2.95Å; N267-N346 PolarHBondContact OD1-N 3.07Å; N346-D348 PolarHBondContact OD1-N 3.3Å; N346-L357 WeakPolarHBondContact O-CD2 3.24Å
347R98.5Very high98.1Very high132 Ų13241.7 Ų41.750%0.49823%0.227SC..THydrogen-bonded Turntrans-89.3-10-172.6-59.4179.283.9-146.7-1113.9D340 V349 P358D340-R347 WeakPolarHBondContact OD1-CD 3.17Å; D340-R347 WeakPolarHBondContact OD1-CG 3.35Å; D340-R347 IonicContact OD1-NE 2.84Å; D340-R347 PolarHBondContact OD1-NE 2.68Å; D340-R347 VanDerWaalsContact OD1-NE 3.09Å; D340-R347 IonicContact OD2-NE 2.7Å; D340-R347 IonicContact OD2-NH2 2.73Å; R347-V349 VanDerWaalsContact C-N 3.35Å; R347-P358 HydrophobicContact CB-CG 3.93Å; R347-P358 WeakPolarHBondContact O-CD 3.43Å
348D97.3Very high98.1Very high137 Ų13743.4 Ų43.473%0.73324%0.238SC*.THydrogen-bonded Turntrans-87.1-5.3-174.5-62.3-33.9000113.3N346N346-D348 PolarHBondContact OD1-N 3.3Å
349V98.1Very high98.1Very high16 Ų1647.1 Ų47.110%0.09726%0.256CS..  trans-66.9146.4178.1-58.20000111.5A263 A264 N267 R347 T356 L357A263-V349 HydrophobicContact CB-CG1 3.74Å; A264-V349 HydrophobicContact CB-CG1 4.19Å; N267-V349 WeakPolarHBondContact ND2-CG2 3.41Å; R347-V349 VanDerWaalsContact C-N 3.35Å; V349-T356 CarbonylContact O-C 3.48Å; V349-T356 VanDerWaalsContact O-CA 3.27Å; V349-T356 WeakPolarHBondContact O-CA 3.45Å; V349-L357 HydrophobicContact CG2-CB 3.84Å; V349-L357 PolarHBondContact O-N 2.88Å
350K97.4Very high98Very high98 Ų9847.4 Ų47.443%0.42626%0.257SS..BIsolated β-bridgetrans-115.5162.8174.5-66.3-175.9-178.5-179.60111.1L355 T356K350-L355 VanDerWaalsContact CA-O 3.22Å; K350-L355 WeakPolarHBondContact CA-O 3.36Å; K350-T356 HydrophobicContact CG-CG2 4.37Å
351N98.1Very high98.1Very high17 Ų1746 Ų469%0.09125%0.25CC..  trans-123.9-179.9175.561.132.1000112.6G212 L353 G354 L355 T360G212-N351 CarbonylContact O-C 3.48Å; G212-N351 VanDerWaalsContact O-CA 3.28Å; G212-N351 WeakPolarHBondContact O-CA 3.31Å; G212-N351 WeakPolarHBondContact O-CB 3.4Å; N351-L353 PolarHBondContact O-N 3.4Å; N351-L353 WeakPolarHBondContact OD1-CA 3.2Å; N351-L353 WeakPolarHBondContact OD1-CB 3.47Å; N351-L353 PolarHBondContact OD1-N 3.08Å; N351-G354 WeakPolarHBondContact O-CA 3.43Å; N351-G354 PolarHBondContact O-N 2.76Å; N351-G354 PolarHBondContact OD1-N 3.37Å; N351-L355 PolarHBondContact N-O 2.89Å; N351-L355 PolarHBondContact OD1-N 3.17Å; N351-T360 PolarHBondContact ND2-OG1 3.17Å
352V98.4Very high98.1Very high0 Ų047.7 Ų47.70%026%0.262CS..THydrogen-bonded Turntrans-57.7-16.5175.6-73.60000114.2I141 G212 Q215 R238 L242 I259 G354I141-V352 HydrophobicContact CB-CG1 4.47Å; I141-V352 HydrophobicContact CD1-CB 4.08Å; I141-V352 HydrophobicContact CD1-CG1 4.46Å; I141-V352 HydrophobicContact CD1-CG2 3.92Å; I141-V352 HydrophobicContact CG1-CB 4.34Å; I141-V352 HydrophobicContact CG1-CG1 4.22Å; I141-V352 HydrophobicContact CG1-CG2 4.19Å; G212-V352 WeakPolarHBondContact O-CG1 3.11Å; G212-V352 PolarHBondContact O-N 3.42Å; Q215-V352 HydrophobicContact CG-CG2 4.3Å; R238-V352 WeakPolarHBondContact CD-O 3.4Å; L242-V352 HydrophobicContact CD1-CB 3.98Å; L242-V352 HydrophobicContact CD1-CG1 3.93Å; I259-V352 HydrophobicContact CD1-CG1 4.21Å; V352-G354 VanDerWaalsContact C-N 3.3Å
353L97.4Very high98.1Very high17 Ų1750.2 Ų50.29%0.08927%0.269CS..THydrogen-bonded Turntrans-80.8-13.4173.1-51.6177.8000112.7Q215 P216 R238 N351 L355 Y364Q215-L353 HydrophobicContact CG-CD2 4.16Å; P216-L353 HydrophobicContact CG-CD1 4.18Å; R238-L353 VanDerWaalsContact NH1-CA 3.33Å; R238-L353 PolarHBondContact NH1-O 3.42Å; R238-L353 VanDerWaalsContact NH1-O 3.14Å; N351-L353 PolarHBondContact O-N 3.4Å; N351-L353 WeakPolarHBondContact OD1-CA 3.2Å; N351-L353 WeakPolarHBondContact OD1-CB 3.47Å; N351-L353 PolarHBondContact OD1-N 3.08Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 HydrophobicContact CB-CD1 4.1Å; L353-L355 HydrophobicContact CB-CG 3.94Å; L353-L355 HydrophobicContact CD1-CD1 4.03Å; L353-Y364 HydrophobicContact CD1-CE2 3.86Å
354G95.8Very high98.1Very high26 Ų2649 Ų4927%0.26825%0.245SC..SBendtrans835.7-171.900000113.9N351 V352N351-G354 WeakPolarHBondContact O-CA 3.43Å; N351-G354 PolarHBondContact O-N 2.76Å; N351-G354 PolarHBondContact OD1-N 3.37Å; V352-G354 VanDerWaalsContact C-N 3.3Å
355L97.6Very high98.2Very high35 Ų3547.4 Ų47.418%0.18324%0.236CC..  trans-88.2146-178.2-58.7179.1000110.8K350 N351 L353 Q359 T360 Y364K350-L355 VanDerWaalsContact CA-O 3.22Å; K350-L355 WeakPolarHBondContact CA-O 3.36Å; N351-L355 PolarHBondContact N-O 2.89Å; N351-L355 PolarHBondContact OD1-N 3.17Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 HydrophobicContact CB-CD1 4.1Å; L353-L355 HydrophobicContact CB-CG 3.94Å; L353-L355 HydrophobicContact CD1-CD1 4.03Å; L355-Q359 HydrophobicContact CB-CB 4.03Å; L355-Q359 HydrophobicContact CD2-CB 4.24Å; L355-T360 WeakPolarHBondContact CB-OG1 3.49Å; L355-Y364 HydrophobicContact CD1-CE2 4.39Å
356T98.3Very high98.1Very high37 Ų3747 Ų4723%0.22724%0.235CC..BIsolated β-bridgetrans-71.6166.5164.8650000110.8V349 K350 Q359 T360V349-T356 CarbonylContact O-C 3.48Å; V349-T356 VanDerWaalsContact O-CA 3.27Å; V349-T356 WeakPolarHBondContact O-CA 3.45Å; K350-T356 HydrophobicContact CG-CG2 4.37Å; T356-Q359 PolarHBondContact O-N 2.84Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.36Å; T356-Q359 PolarHBondContact OG1-N 2.98Å; T356-Q359 PolarHBondContact OG1-OE1 3.41Å; T356-T360 WeakPolarHBondContact O-CB 3.14Å; T356-T360 PolarHBondContact O-N 2.99Å; T356-T360 PolarHBondContact O-OG1 3.1Å
357L98.6Very high98.1Very high12 Ų1248.1 Ų48.16%0.06324%0.239CC..Hα-helixtrans-56-49.4175175.566.4000112.2L336 L345 N346 V349 Q359 T360 L361L336-L357 HydrophobicContact CD1-CD1 4.44Å; L345-L357 HydrophobicContact CB-CD2 3.81Å; L345-L357 HydrophobicContact CD1-CD2 3.8Å; L345-L357 HydrophobicContact CG-CD2 4.46Å; N346-L357 WeakPolarHBondContact O-CD2 3.24Å; V349-L357 HydrophobicContact CG2-CB 3.84Å; V349-L357 PolarHBondContact O-N 2.88Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 2.8Å; L357-T360 WeakPolarHBondContact O-CB 3.41Å; L357-T360 PolarHBondContact O-N 2.75Å; L357-T360 VanDerWaalsContact O-N 3.09Å; L357-L361 HydrophobicContact CD1-CD1 4.13Å; L357-L361 HydrophobicContact CD1-CD2 4.29Å; L357-L361 HydrophobicContact CD1-CG 3.96Å; L357-L361 HydrophobicContact CG-CD1 4.03Å; L357-L361 HydrophobicContact CG-CG 4.29Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 2.9Å
358P98.7Very high98.1Very high36 Ų3645.7 Ų45.723%0.23424%0.235CC..Hα-helixtrans-56.4-42.8176.5-28.435.2000114R347 T360 L361 E362R347-P358 HydrophobicContact CB-CG 3.93Å; R347-P358 WeakPolarHBondContact O-CD 3.43Å; P358-T360 VanDerWaalsContact C-N 3.31Å; P358-T360 PolarHBondContact O-N 2.94Å; P358-L361 PolarHBondContact O-N 3.23Å; P358-E362 WeakPolarHBondContact O-CB 3.33Å; P358-E362 PolarHBondContact O-N 3.26Å
359Q98.5Very high98.2Very high90 Ų9039.5 Ų39.542%0.42120%0.202SC..Hα-helixtrans-65.3-38.3177.5-70.3171.9-29.100111.6L355 T356 L357 Q363L355-Q359 HydrophobicContact CB-CB 4.03Å; L355-Q359 HydrophobicContact CD2-CB 4.24Å; T356-Q359 PolarHBondContact O-N 2.84Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.36Å; T356-Q359 PolarHBondContact OG1-N 2.98Å; T356-Q359 PolarHBondContact OG1-OE1 3.41Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 2.8Å; Q359-Q363 WeakPolarHBondContact O-CB 3.35Å; Q359-Q363 PolarHBondContact O-N 2.64Å; Q359-Q363 VanDerWaalsContact O-N 3.14Å
360T98.6Very high98.1Very high6 Ų646 Ų464%0.03723%0.231CC..Hα-helixtrans-65.3-43.7175.9-53.50000110.9P216 I333 N351 L355 T356 L357 P358 Q363 Y364P216-T360 HydrophobicContact CG-CG2 4.29Å; I333-T360 HydrophobicContact CD1-CG2 4.1Å; N351-T360 PolarHBondContact ND2-OG1 3.17Å; L355-T360 WeakPolarHBondContact CB-OG1 3.49Å; T356-T360 WeakPolarHBondContact O-CB 3.14Å; T356-T360 PolarHBondContact O-N 2.99Å; T356-T360 PolarHBondContact O-OG1 3.1Å; L357-T360 WeakPolarHBondContact O-CB 3.41Å; L357-T360 PolarHBondContact O-N 2.75Å; L357-T360 VanDerWaalsContact O-N 3.09Å; P358-T360 VanDerWaalsContact C-N 3.31Å; P358-T360 PolarHBondContact O-N 2.94Å; T360-Q363 PolarHBondContact O-N 3.2Å; T360-Y364 HydrophobicContact CG2-CD2 4.15Å; T360-Y364 WeakPolarHBondContact O-CB 3.49Å; T360-Y364 WeakPolarHBondContact O-CD2 3.24Å; T360-Y364 PolarHBondContact O-N 2.76Å
361L98.7Very high98.1Very high2 Ų244.8 Ų44.81%0.0123%0.23CC..Hα-helixtrans-65.1-44.8177.5-66.8176000111.6I333 L336 D340 L357 P358 Q363 Y364 D365 L368I333-L361 HydrophobicContact CG2-CD2 3.94Å; L336-L361 HydrophobicContact CB-CD2 4.17Å; D340-L361 HydrophobicContact CB-CD1 3.55Å; L357-L361 HydrophobicContact CD1-CD1 4.13Å; L357-L361 HydrophobicContact CD1-CD2 4.29Å; L357-L361 HydrophobicContact CD1-CG 3.96Å; L357-L361 HydrophobicContact CG-CD1 4.03Å; L357-L361 HydrophobicContact CG-CG 4.29Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 2.9Å; P358-L361 PolarHBondContact O-N 3.23Å; L361-Q363 PolarHBondContact O-N 3.12Å; L361-Y364 PolarHBondContact O-N 3.05Å; L361-D365 HydrophobicContact CB-CB 4.44Å; L361-D365 HydrophobicContact CD2-CB 4.41Å; L361-D365 WeakPolarHBondContact O-CA 3.22Å; L361-D365 WeakPolarHBondContact O-CB 3.45Å; L361-D365 PolarHBondContact O-N 3.37Å; L361-L368 HydrophobicContact CB-CD1 4.23Å
362E98.6Very high98.1Very high140 Ų14050 Ų5065%0.65426%0.257SS*.Hα-helixtrans-57.7-40176.9-176.3174-153.400111.9P358 T369P358-E362 WeakPolarHBondContact O-CB 3.33Å; P358-E362 PolarHBondContact O-N 3.26Å; E362-T369 WeakPolarHBondContact O-CA 3.44Å
363Q98.5Very high98.1Very high80 Ų8053 Ų5337%0.37428%0.283SS..Hα-helixtrans-80-35.9-178.8-171.8172.71.200113.4Q359 T360 L361 T369Q359-Q363 WeakPolarHBondContact O-CB 3.35Å; Q359-Q363 PolarHBondContact O-N 2.64Å; Q359-Q363 VanDerWaalsContact O-N 3.14Å; T360-Q363 PolarHBondContact O-N 3.2Å; L361-Q363 PolarHBondContact O-N 3.12Å; Q363-T369 VanDerWaalsContact O-CB 3.26Å; Q363-T369 WeakPolarHBondContact O-CB 3.47Å; Q363-T369 PolarHBondContact O-OG1 2.94Å
364Y98.6Very high98.2Very high41 Ų4152.7 Ų52.716%0.16128%0.282CS..Hα-helixtrans-120.2-17.2-166.2-65.6-82.6000116.1P216 L353 L355 T360 L361 V366 V374 F378P216-Y364 HydrophobicContact CB-CD1 3.59Å; P216-Y364 HydrophobicContact CB-CD2 4.23Å; P216-Y364 HydrophobicContact CB-CE1 3.94Å; P216-Y364 HydrophobicContact CB-CG 3.75Å; P216-Y364 HydrophobicContact CG-CD1 3.93Å; P216-Y364 HydrophobicContact CG-CD2 3.67Å; P216-Y364 HydrophobicContact CG-CE1 4.06Å; P216-Y364 HydrophobicContact CG-CE2 3.82Å; P216-Y364 HydrophobicContact CG-CG 3.73Å; L353-Y364 HydrophobicContact CD1-CE2 3.86Å; L355-Y364 HydrophobicContact CD1-CE2 4.39Å; T360-Y364 HydrophobicContact CG2-CD2 4.15Å; T360-Y364 WeakPolarHBondContact O-CB 3.49Å; T360-Y364 WeakPolarHBondContact O-CD2 3.24Å; T360-Y364 PolarHBondContact O-N 2.76Å; L361-Y364 PolarHBondContact O-N 3.05Å; Y364-V366 PolarHBondContact O-N 3.07Å; Y364-V374 HydrophobicContact CD1-CG1 4.18Å; Y364-V374 HydrophobicContact CD1-CG2 4.1Å; Y364-V374 HydrophobicContact CE1-CG2 4.27Å; Y364-F378 WeakPolarHBondContact O-CE2 3.41Å
365D98.6Very high98.3Very high0 Ų054 Ų540%028%0.28CS..  trans-70119.4175.7-176.6-4.1000109I333 R341 L361 M367 L368 T369I333-D365 HydrophobicContact CG2-CB 4.11Å; R341-D365 IonicContact CZ-OD2 3.07Å; R341-D365 VanDerWaalsContact CZ-OD2 3.31Å; R341-D365 IonicContact NH1-OD2 3.34Å; R341-D365 PolarHBondContact NH1-OD2 2.88Å; R341-D365 IonicContact NH2-OD1 3.8Å; R341-D365 IonicContact NH2-OD2 3.25Å; R341-D365 PolarHBondContact NH2-OD2 3.11Å; L361-D365 HydrophobicContact CB-CB 4.44Å; L361-D365 HydrophobicContact CD2-CB 4.41Å; L361-D365 WeakPolarHBondContact O-CA 3.22Å; L361-D365 WeakPolarHBondContact O-CB 3.45Å; L361-D365 PolarHBondContact O-N 3.37Å; D365-M367 PolarHBondContact O-N 3Å; D365-M367 WeakPolarHBondContact OD1-CB 3.28Å; D365-M367 PolarHBondContact OD1-N 3.22Å; D365-L368 HydrophobicContact CB-CB 4.26Å; D365-L368 HydrophobicContact CB-CD1 4.18Å; D365-L368 HydrophobicContact CB-CG 4.16Å; D365-L368 PolarHBondContact O-N 3.49Å; D365-T369 WeakPolarHBondContact O-CB 3.32Å; D365-T369 VanDerWaalsContact O-CG2 3.29Å; D365-T369 WeakPolarHBondContact O-CG2 3.44Å; D365-T369 PolarHBondContact O-N 3.01Å
366V98.4Very high98.3Very high11 Ų1155.3 Ų55.37%0.06729%0.287CS..THydrogen-bonded Turntrans-57.5-20.8179.5-65.40000113.5Y364 F378 L400Y364-V366 PolarHBondContact O-N 3.07Å; V366-F378 HydrophobicContact CG1-CB 4.03Å; V366-F378 HydrophobicContact CG1-CD2 3.46Å; V366-F378 VanDerWaalsContact CG1-CD2 3.46Å; V366-F378 HydrophobicContact CG1-CE2 4.13Å; V366-F378 HydrophobicContact CG1-CG 3.92Å; V366-L400 HydrophobicContact CB-CD1 4.12Å; V366-L400 HydrophobicContact CG1-CD1 4.1Å; V366-L400 HydrophobicContact CG1-CD2 4.44Å
367M98.1Very high98.3Very high77 Ų7755.1 Ų55.138%0.37928%0.284SS..THydrogen-bonded Turntrans-80.7-19.7175.1-56.8-54.9-64.900113.6D365 D402 R404D365-M367 PolarHBondContact O-N 3Å; D365-M367 WeakPolarHBondContact OD1-CB 3.28Å; D365-M367 PolarHBondContact OD1-N 3.22Å; M367-D402 HydrophobicContact SD-CB 3.87Å; M367-R404 HydrophobicContact CE-CG 4.23Å; M367-R404 HydrophobicContact SD-CG 4.37Å
368L98.2Very high98.3Very high82 Ų8254.5 Ų54.543%0.42928%0.281SS..THydrogen-bonded Turntrans-113.9-44.9-174.4-59.5179.8000112.3L361 D365 Q370L361-L368 HydrophobicContact CB-CD1 4.23Å; D365-L368 HydrophobicContact CB-CB 4.26Å; D365-L368 HydrophobicContact CB-CD1 4.18Å; D365-L368 HydrophobicContact CB-CG 4.16Å; D365-L368 PolarHBondContact O-N 3.49Å; L368-Q370 PolarHBondContact O-NE2 2.74Å
369T98.3Very high98.3Very high6 Ų656.5 Ų56.54%0.03728%0.284CS..  trans-61.8140.5-172.7-168.10000111.8E362 Q363 D365 D371 V374 K375E362-T369 WeakPolarHBondContact O-CA 3.44Å; Q363-T369 VanDerWaalsContact O-CB 3.26Å; Q363-T369 WeakPolarHBondContact O-CB 3.47Å; Q363-T369 PolarHBondContact O-OG1 2.94Å; D365-T369 WeakPolarHBondContact O-CB 3.32Å; D365-T369 VanDerWaalsContact O-CG2 3.29Å; D365-T369 WeakPolarHBondContact O-CG2 3.44Å; D365-T369 PolarHBondContact O-N 3.01Å; T369-D371 PolarHBondContact OG1-N 3Å; T369-V374 HydrophobicContact CG2-CB 4.27Å; T369-V374 HydrophobicContact CG2-CG1 3.91Å; T369-K375 HydrophobicContact CG2-CG 4.22Å; T369-K375 WeakPolarHBondContact O-CE 3.42Å; T369-K375 PolarHBondContact O-NZ 2.78Å; T369-K375 VanDerWaalsContact O-NZ 3.11Å
370Q97.3Very high98.3Very high152 Ų15252.3 Ų52.371%0.7126%0.264SS*.  trans-104.34.4171-54.8-54.3-47.200111.7L368 D372L368-Q370 PolarHBondContact O-NE2 2.74Å; Q370-D372 PolarHBondContact O-N 3.1Å
371D98Very high98.3Very high74 Ų7452 Ų5240%0.39626%0.263SS..  trans-79.5109.5178.3-171.3-16.8000110.7T369 A373 V374 K375T369-D371 PolarHBondContact OG1-N 3Å; D371-A373 PolarHBondContact O-N 3.37Å; D371-A373 VanDerWaalsContact OD1-CB 3.26Å; D371-A373 WeakPolarHBondContact OD1-CB 3.49Å; D371-A373 PolarHBondContact OD1-N 2.58Å; D371-V374 HydrophobicContact CB-CB 4.19Å; D371-V374 HydrophobicContact CB-CG2 3.9Å; D371-V374 WeakPolarHBondContact O-CB 3.28Å; D371-V374 PolarHBondContact O-N 2.89Å; D371-V374 VanDerWaalsContact O-N 3.15Å; D371-K375 PolarHBondContact O-N 3.24Å; D371-K375 VanDerWaalsContact O-N 3.13Å
372D98Very high98.2Very high125 Ų12552.8 Ų52.867%0.66827%0.268SS*.Hα-helixtrans-61.1-28.5177.7-74.5-28.8000112.7Q370 K375 N376Q370-D372 PolarHBondContact O-N 3.1Å; D372-K375 PolarHBondContact O-N 3Å; D372-N376 WeakPolarHBondContact O-CB 3.06Å; D372-N376 PolarHBondContact O-N 3.49Å
373A97.8Very high98Very high65 Ų6547.6 Ų47.654%0.53725%0.249SC..Hα-helixtrans-68.2-38176.800000111.3D371 N376 M377D371-A373 PolarHBondContact O-N 3.37Å; D371-A373 VanDerWaalsContact OD1-CB 3.26Å; D371-A373 WeakPolarHBondContact OD1-CB 3.49Å; D371-A373 PolarHBondContact OD1-N 2.58Å; A373-N376 PolarHBondContact O-N 2.96Å; A373-M377 PolarHBondContact O-N 3.35Å
374V98.2Very high97.7Very high10 Ų1045.9 Ų45.96%0.06125%0.253CS..Hα-helixtrans-66.6-47.5174.9173.30000110.5Y364 T369 D371 N376 M377 F378Y364-V374 HydrophobicContact CD1-CG1 4.18Å; Y364-V374 HydrophobicContact CD1-CG2 4.1Å; Y364-V374 HydrophobicContact CE1-CG2 4.27Å; T369-V374 HydrophobicContact CG2-CB 4.27Å; T369-V374 HydrophobicContact CG2-CG1 3.91Å; D371-V374 HydrophobicContact CB-CB 4.19Å; D371-V374 HydrophobicContact CB-CG2 3.9Å; D371-V374 WeakPolarHBondContact O-CB 3.28Å; D371-V374 PolarHBondContact O-N 2.89Å; D371-V374 VanDerWaalsContact O-N 3.15Å; V374-N376 VanDerWaalsContact C-N 3.28Å; V374-N376 PolarHBondContact O-N 2.96Å; V374-M377 WeakPolarHBondContact O-CB 3.32Å; V374-M377 PolarHBondContact O-N 2.72Å; V374-F378 HydrophobicContact CG1-CD2 3.98Å; V374-F378 HydrophobicContact CG1-CE2 3.86Å; V374-F378 WeakPolarHBondContact O-CD2 3.32Å; V374-F378 PolarHBondContact O-N 3.06Å; V374-F378 VanDerWaalsContact O-N 3.13Å
375K98.4Very high97.4Very high53 Ų5349.3 Ų49.323%0.2327%0.273CS..Hα-helixtrans-60.5-40.1175.8-69.8-179.4-179168.60111.5T369 D371 D372 F378 R379 L400T369-K375 HydrophobicContact CG2-CG 4.22Å; T369-K375 WeakPolarHBondContact O-CE 3.42Å; T369-K375 PolarHBondContact O-NZ 2.78Å; T369-K375 VanDerWaalsContact O-NZ 3.11Å; D371-K375 PolarHBondContact O-N 3.24Å; D371-K375 VanDerWaalsContact O-N 3.13Å; D372-K375 PolarHBondContact O-N 3Å; K375-F378 PolarHBondContact O-N 2.82Å; K375-R379 WeakPolarHBondContact O-CG 3.45Å; K375-R379 PolarHBondContact O-N 2.99Å; K375-R379 VanDerWaalsContact O-N 3.15Å; K375-L400 HydrophobicContact CB-CD1 4Å; K375-L400 HydrophobicContact CG-CD1 4.02Å
376N98.3Very high97.3Very high63 Ų6359 Ų5934%0.33731%0.309SS..Hα-helixtrans-64.3-42.7176.5-174.359.9000111.8D372 A373 V374 F378 R379 R396D372-N376 WeakPolarHBondContact O-CB 3.06Å; D372-N376 PolarHBondContact O-N 3.49Å; A373-N376 PolarHBondContact O-N 2.96Å; V374-N376 VanDerWaalsContact C-N 3.28Å; V374-N376 PolarHBondContact O-N 2.96Å; N376-F378 PolarHBondContact O-N 3Å; N376-R379 WeakPolarHBondContact O-CB 3.45Å; N376-R379 PolarHBondContact O-N 3.32Å; N376-R379 VanDerWaalsContact O-N 3.09Å; N376-R396 PolarHBondContact ND2-NH1 2.75Å; N376-R396 PolarHBondContact ND2-NH2 3.24Å; N376-R396 PolarHBondContact O-NH1 3.31Å; N376-R396 VanDerWaalsContact OD1-CD 3.27Å; N376-R396 WeakPolarHBondContact OD1-CD 3.45Å; N376-R396 PolarHBondContact OD1-NE 3.31Å
377M98.4Very high97.1Very high32 Ų3259.7 Ų59.716%0.15831%0.314CS..Hα-helixtrans-55.1-50.6174.4-177.9-171.171.400110.8H327 A373 V374 R379 A380H327-M377 PolarHBondContact NE2-O 2.61Å; A373-M377 PolarHBondContact O-N 3.35Å; V374-M377 WeakPolarHBondContact O-CB 3.32Å; V374-M377 PolarHBondContact O-N 2.72Å; M377-R379 PolarHBondContact O-N 3.41Å; M377-A380 WeakPolarHBondContact O-CB 3.25Å; M377-A380 PolarHBondContact O-N 3.29Å
378F98.7Very high97Very high0 Ų060.6 Ų60.60%032%0.324CS..Hα-helixtrans-67.9-16.2179.4-73.7-64.8000114.2H327 R328 G330 Y364 V366 V374 K375 N376 A380 L400H327-F378 PolarHBondContact CD2-O 2.94Å; H327-F378 AromaticContact CE1-CD1 3.67Å; H327-F378 AromaticContact ND1-CD1 3.93Å; H327-F378 WeakPolarHBondContact NE2-CA 3.32Å; H327-F378 WeakPolarHBondContact O-CD1 3.48Å; R328-F378 VanDerWaalsContact CA-O 3.29Å; R328-F378 WeakPolarHBondContact CA-O 3.27Å; G330-F378 WeakPolarHBondContact O-CE1 3.28Å; G330-F378 WeakPolarHBondContact O-CZ 3.16Å; Y364-F378 WeakPolarHBondContact O-CE2 3.41Å; V366-F378 HydrophobicContact CG1-CB 4.03Å; V366-F378 HydrophobicContact CG1-CD2 3.46Å; V366-F378 VanDerWaalsContact CG1-CD2 3.46Å; V366-F378 HydrophobicContact CG1-CE2 4.13Å; V366-F378 HydrophobicContact CG1-CG 3.92Å; V374-F378 HydrophobicContact CG1-CD2 3.98Å; V374-F378 HydrophobicContact CG1-CE2 3.86Å; V374-F378 WeakPolarHBondContact O-CD2 3.32Å; V374-F378 PolarHBondContact O-N 3.06Å; V374-F378 VanDerWaalsContact O-N 3.13Å; K375-F378 PolarHBondContact O-N 2.82Å; N376-F378 PolarHBondContact O-N 3Å; F378-A380 VanDerWaalsContact C-N 3.25Å; F378-A380 PolarHBondContact O-N 3.28Å; F378-L400 HydrophobicContact CB-CD2 3.62Å
379R98.6Very high96.9Very high77 Ų7763.1 Ų63.129%0.29133%0.333SS..THydrogen-bonded Turntrans-77.6-5.7169.5-71.5174.660.1-168.4-5.3113.5K375 N376 M377 G381 R396 W397 D398 L400K375-R379 WeakPolarHBondContact O-CG 3.45Å; K375-R379 PolarHBondContact O-N 2.99Å; K375-R379 VanDerWaalsContact O-N 3.15Å; N376-R379 WeakPolarHBondContact O-CB 3.45Å; N376-R379 PolarHBondContact O-N 3.32Å; N376-R379 VanDerWaalsContact O-N 3.09Å; M377-R379 PolarHBondContact O-N 3.41Å; R379-G381 PolarHBondContact O-N 2.75Å; R379-R396 HydrophobicContact CB-CB 4.39Å; R379-R396 CarbonylContact O-C 3.52Å; R379-R396 WeakPolarHBondContact O-CA 3.21Å; R379-R396 WeakPolarHBondContact O-CB 3.29Å; R379-W397 PolarHBondContact NE-O 3.13Å; R379-W397 PolarHBondContact NH2-O 2.98Å; R379-W397 PolarHBondContact O-N 3.03Å; R379-D398 PolarHBondContact NE-O 2.79Å; R379-D398 PolarHBondContact NH2-O 3.3Å; R379-L400 HydrophobicContact CG-CD2 3.63Å; R379-L400 HydrophobicContact CG-CG 3.8Å
380A98.5Very high96.9Very high2 Ų263.8 Ų63.82%0.01734%0.34CS..BIsolated β-bridgetrans-52.2124174.400000111.1L221 H225 M377 F378L221-A380 HydrophobicContact CD1-CB 3.4Å; L221-A380 VanDerWaalsContact CD1-CB 3.4Å; H225-A380 WeakPolarHBondContact CE1-CB 3.3Å; H225-A380 WeakPolarHBondContact ND1-CB 3.35Å; H225-A380 WeakPolarHBondContact NE2-CB 3.43Å; M377-A380 WeakPolarHBondContact O-CB 3.25Å; M377-A380 PolarHBondContact O-N 3.29Å; F378-A380 VanDerWaalsContact C-N 3.25Å; F378-A380 PolarHBondContact O-N 3.28Å
381G97.4Very high96.9Very high1 Ų158.6 Ų58.61%0.0132%0.315CS..  trans-125.2174.3-172.900000113.2R379 Q393 C395R379-G381 PolarHBondContact O-N 2.75Å; G381-Q393 PolarHBondContact O-NE2 3.11Å; G381-C395 WeakPolarHBondContact CA-O 3.38Å; G381-C395 PolarHBondContact N-O 3.07Å
382P97Very high96.9Very high17 Ų1757.7 Ų57.711%0.1131%0.314CS..  trans-78.3150175.234.5-37.9000111.7E149 L222 E324 W397E149-P382 HydrophobicContact CB-CB 4.1Å; E149-P382 HydrophobicContact CG-CB 3.89Å; E149-P382 VanDerWaalsContact OE2-CB 3.32Å; E149-P382 WeakPolarHBondContact OE2-CB 3.44Å; L222-P382 HydrophobicContact CD1-CB 4.02Å; E324-P382 WeakPolarHBondContact OE2-CB 3.32Å; E324-P382 WeakPolarHBondContact OE2-CG 3.47Å; P382-W397 HydrophobicContact CG-CZ2 4.12Å
383A95.9Very high96.9Very high31 Ų3152.7 Ų52.726%0.25629%0.287SS..  trans-91.1-22.6169.300000112.9E149 I385 Q393 C395E149-A383 PolarHBondContact OE1-N 2.85Å; E149-A383 PolarHBondContact OE2-N 2.9Å; A383-I385 VanDerWaalsContact C-N 3.3Å; A383-I385 HydrophobicContact CB-CB 4.48Å; A383-I385 HydrophobicContact CB-CD1 4.1Å; A383-I385 HydrophobicContact CB-CG1 4.09Å; A383-Q393 HydrophobicContact CB-CB 3.72Å; A383-Q393 HydrophobicContact CB-CG 3.58Å; A383-C395 HydrophobicContact CB-CB 4.46Å
384G92.2Very high96.9Very high45 Ų4555 Ų5546%0.46429%0.29SS..  trans70.624.4-173.500000113.6E149E149-G384 PolarHBondContact OE2-N 3.32Å
385I92.2Very high96.9Very high113 Ų11357.1 Ų57.158%0.57931%0.305SS*.  trans-109.8129.8-177.1-58173.7000109.4T191 A383 T387T191-I385 VanDerWaalsContact CG2-O 3.3Å; T191-I385 WeakPolarHBondContact CG2-O 3.4Å; A383-I385 VanDerWaalsContact C-N 3.3Å; A383-I385 HydrophobicContact CB-CB 4.48Å; A383-I385 HydrophobicContact CB-CD1 4.1Å; A383-I385 HydrophobicContact CB-CG1 4.09Å; I385-T387 PolarHBondContact O-N 2.8Å
386R94.8Very high96.9Very high202 Ų20258.1 Ų58.176%0.76231%0.307SS*.  trans-62.7126.2177.1-177.4-179.2-178.4147.92111.2P190P190-R386 WeakPolarHBondContact O-CA 3.35Å; P190-R386 WeakPolarHBondContact O-CG 3.44Å
387T95.6Very high96.8Very high26 Ų2658.3 Ų58.316%0.1630%0.303CS..BIsolated β-bridgetrans-160.9150.7-179.6-175.50000112.4P190 T191 C192 T224 I385 Q389 S392P190-T387 PolarHBondContact O-N 3Å; T191-T387 CarbonylContact C-O 3.52Å; T191-T387 WeakPolarHBondContact CA-O 3.38Å; T191-T387 HydrophobicContact CG2-CG2 3.89Å; C192-T387 PolarHBondContact N-O 3.43Å; T224-T387 HydrophobicContact CG2-CG2 3.58Å; I385-T387 PolarHBondContact O-N 2.8Å; T387-Q389 PolarHBondContact OG1-N 2.89Å; T387-Q389 VanDerWaalsContact OG1-N 3.1Å; T387-S392 WeakPolarHBondContact CG2-OG 3.41Å
388T95.1Very high96.8Very high96 Ų9663.5 Ų63.559%0.58933%0.332SS*.  trans-108.77.2169.755.10000112.5
389Q96.6Very high96.7Very high135 Ų13567.4 Ų67.463%0.63136%0.356SS*.  trans-97.6134.6-176.2-61.7-175.510.800111T387 S392T387-Q389 PolarHBondContact OG1-N 2.89Å; T387-Q389 VanDerWaalsContact OG1-N 3.1Å; Q389-S392 PolarHBondContact O-OG 3.22Å
390A97.2Very high96.7Very high20 Ų2064.9 Ų64.917%0.16535%0.348CS..THydrogen-bonded Turntrans-63.3150.4167.200000110.3H52 L56 S392H52-A390 HydrophobicContact CB-CB 4.12Å; L56-A390 HydrophobicContact CD2-CB 4.45Å; A390-S392 PolarHBondContact O-N 3.34Å; A390-S392 VanDerWaalsContact O-N 3.08Å
391F97.8Very high96.7Very high44 Ų4465.9 Ų65.919%0.19335%0.353CS..THydrogen-bonded Turntrans58.923.4168.8-36.2-41.8000114.7L56 L59 A223 T224 R228 K229 F232 Q393L56-F391 HydrophobicContact CD1-CZ 4.24Å; L56-F391 HydrophobicContact CD2-CE2 3.47Å; L56-F391 VanDerWaalsContact CD2-CE2 3.47Å; L56-F391 HydrophobicContact CD2-CZ 3.66Å; L59-F391 HydrophobicContact CD2-CE2 4.32Å; A223-F391 PolarHBondContact O-N 2.99Å; T224-F391 CarbonylContact O-C 3.45Å; T224-F391 WeakPolarHBondContact O-CA 3.39Å; T224-F391 PolarHBondContact O-N 2.9Å; R228-F391 HydrophobicContact CB-CD1 4.01Å; R228-F391 HydrophobicContact CB-CE1 3.77Å; R228-F391 HydrophobicContact CG-CE1 3.9Å; K229-F391 HydrophobicContact CB-CD1 4.01Å; K229-F391 HydrophobicContact CB-CD2 3.83Å; K229-F391 HydrophobicContact CB-CE1 4.1Å; K229-F391 HydrophobicContact CB-CE2 3.88Å; K229-F391 HydrophobicContact CB-CG 3.9Å; K229-F391 HydrophobicContact CB-CZ 4.03Å; K229-F391 HydrophobicContact CD-CD2 4.29Å; K229-F391 HydrophobicContact CG-CD2 4.05Å; K229-F391 HydrophobicContact CG-CE2 3.94Å; K229-F391 HydrophobicContact CG-CZ 4.43Å; F232-F391 HydrophobicContact CD2-CE1 4.22Å; F232-F391 AromaticContact CD2-CZ 3.78Å; F232-F391 HydrophobicContact CD2-CZ 3.78Å; F232-F391 HydrophobicContact CE2-CE1 4.29Å; F232-F391 HydrophobicContact CE2-CZ 4.04Å; F391-Q393 VanDerWaalsContact C-N 3.29Å; F391-Q393 PolarHBondContact O-N 2.91Å
392S97.7Very high96.7Very high55 Ų5570.5 Ų70.539%0.38538%0.377SS..  trans-77.2-8.4-172.461.50000115T224 T387 Q389 A390T224-S392 PolarHBondContact O-N 3.27Å; T387-S392 WeakPolarHBondContact CG2-OG 3.41Å; Q389-S392 PolarHBondContact O-OG 3.22Å; A390-S392 PolarHBondContact O-N 3.34Å; A390-S392 VanDerWaalsContact O-N 3.08Å
393Q97.9Very high96.7Very high19 Ų1972.9 Ų72.99%0.08939%0.389CS..BIsolated β-bridgetrans-147.9159.9-176.964.185.9-1.500111.6E149 T224 H225 A226 G381 A383 F391E149-Q393 PolarHBondContact OE1-NE2 2.75Å; T224-Q393 PolarHBondContact O-N 3.46Å; T224-Q393 VanDerWaalsContact O-N 3.11Å; T224-Q393 PolarHBondContact OG1-NE2 2.93Å; H225-Q393 CarbonylContact C-O 3.58Å; H225-Q393 VanDerWaalsContact CA-O 3.31Å; H225-Q393 WeakPolarHBondContact CA-O 3.18Å; A226-Q393 PolarHBondContact N-O 2.85Å; G381-Q393 PolarHBondContact O-NE2 3.11Å; A383-Q393 HydrophobicContact CB-CB 3.72Å; A383-Q393 HydrophobicContact CB-CG 3.58Å; F391-Q393 VanDerWaalsContact C-N 3.29Å; F391-Q393 PolarHBondContact O-N 2.91Å
394D98Very high96.8Very high113 Ų11372.4 Ų72.460%0.60438%0.381SS*.  trans-135.225-178.764.1-10.2000113.5A226A226-D394 HydrophobicContact CB-CB 3.99Å
395C98.2Very high97.1Very high55 Ų5571.4 Ų71.437%0.37237%0.368SS..  trans-61.7139.3177.6-66.50000111.4H225 G381 A383H225-C395 PolarHBondContact CD2-O 3.07Å; H225-C395 VanDerWaalsContact CD2-O 3.23Å; H225-C395 PolarHBondContact NE2-O 3.09Å; H225-C395 VanDerWaalsContact NE2-O 3.09Å; G381-C395 WeakPolarHBondContact CA-O 3.38Å; G381-C395 PolarHBondContact N-O 3.07Å; A383-C395 HydrophobicContact CB-CB 4.46Å
396R98.2Very high97.3Very high75 Ų7571 Ų7128%0.28337%0.368SS..BIsolated β-bridgetrans-128.6149.3179.3-61.3-176-171.5-83.8-5.5111.3D227 N376 R379D227-R396 IonicContact OD1-CZ 2.86Å; D227-R396 IonicContact OD1-NH2 3.5Å; D227-R396 PolarHBondContact OD1-NH2 3.08Å; D227-R396 IonicContact OD2-CZ 2.72Å; D227-R396 VanDerWaalsContact OD2-CZ 3.25Å; D227-R396 IonicContact OD2-NH1 3.09Å; D227-R396 PolarHBondContact OD2-NH1 3.36Å; D227-R396 IonicContact OD2-NH2 2.89Å; D227-R396 PolarHBondContact OD2-NH2 3.3Å; N376-R396 PolarHBondContact ND2-NH1 2.75Å; N376-R396 PolarHBondContact ND2-NH2 3.24Å; N376-R396 PolarHBondContact O-NH1 3.31Å; N376-R396 VanDerWaalsContact OD1-CD 3.27Å; N376-R396 WeakPolarHBondContact OD1-CD 3.45Å; N376-R396 PolarHBondContact OD1-NE 3.31Å; R379-R396 HydrophobicContact CB-CB 4.39Å; R379-R396 CarbonylContact O-C 3.52Å; R379-R396 WeakPolarHBondContact O-CA 3.21Å; R379-R396 WeakPolarHBondContact O-CB 3.29Å
397W97.8Very high97.5Very high66 Ų6661.6 Ų61.625%0.2533%0.333CS..  trans-67.2148.4165.8-62.4104.5000110.4R328 R379 P382 T399R328-W397 HydrophobicContact CG-CB 4.28Å; R328-W397 HydrophobicContact CG-CG 3.94Å; R379-W397 PolarHBondContact NE-O 3.13Å; R379-W397 PolarHBondContact NH2-O 2.98Å; R379-W397 PolarHBondContact O-N 3.03Å; P382-W397 HydrophobicContact CG-CZ2 4.12Å; W397-T399 VanDerWaalsContact C-N 3.29Å; W397-T399 WeakPolarHBondContact CB-O 3.45Å; W397-T399 PolarHBondContact O-N 3.16Å
398D97.1Very high97.5Very high142 Ų14260.4 Ų60.476%0.75933%0.326SS*.SBendtrans-66.8-31.8176.8-67.1-34.8000112.7R379R379-D398 PolarHBondContact NE-O 2.79Å; R379-D398 PolarHBondContact NH2-O 3.3Å
399T97.6Very high97.7Very high81 Ų8155.8 Ų55.850%0.49730%0.298SS..SBendtrans-137.2159.4179.768.40000111.2R328 W397R328-T399 PolarHBondContact NE-O 2.78Å; R328-T399 PolarHBondContact NH2-O 3.02Å; R328-T399 PolarHBondContact NH2-OG1 3.06Å; W397-T399 VanDerWaalsContact C-N 3.29Å; W397-T399 WeakPolarHBondContact CB-O 3.45Å; W397-T399 PolarHBondContact O-N 3.16Å
400L98.2Very high97.8Very high24 Ų2451.7 Ų51.713%0.12628%0.276CS..  trans-70.6165.5164.8-69.1168000110.9R328 V366 K375 F378 R379R328-L400 WeakPolarHBondContact O-CD2 3.38Å; V366-L400 HydrophobicContact CB-CD1 4.12Å; V366-L400 HydrophobicContact CG1-CD1 4.1Å; V366-L400 HydrophobicContact CG1-CD2 4.44Å; K375-L400 HydrophobicContact CB-CD1 4Å; K375-L400 HydrophobicContact CG-CD1 4.02Å; F378-L400 HydrophobicContact CB-CD2 3.62Å; R379-L400 HydrophobicContact CG-CD2 3.63Å; R379-L400 HydrophobicContact CG-CG 3.8Å
401D98.2Very high97.8Very high23 Ų2351.9 Ų51.912%0.12328%0.276CS..  trans-99.581.7165178.618.6000109.1R328 A329 R404 G407 C408R328-D401 HydrophobicContact CG-CB 4.21Å; R328-D401 PolarHBondContact O-N 2.97Å; A329-D401 VanDerWaalsContact CA-O 3.24Å; A329-D401 WeakPolarHBondContact CA-O 3.48Å; A329-D401 HydrophobicContact CB-CB 3.95Å; D401-R404 PolarHBondContact O-NH1 2.92Å; D401-R404 VanDerWaalsContact O-NH1 3.08Å; D401-G407 WeakPolarHBondContact OD1-CA 3.49Å; D401-C408 VanDerWaalsContact OD2-CB 3.23Å; D401-C408 WeakPolarHBondContact OD2-CB 3.31Å; D401-C408 PolarHBondContact OD2-N 3.25Å
402D96.9Very high97.8Very high99 Ų9953.6 Ų53.653%0.52929%0.287SS..  trans-97.77.8177.958.3-4.2000113M367 R404M367-D402 HydrophobicContact SD-CB 3.87Å; D402-R404 PolarHBondContact O-N 3.16Å
403D98.1Very high97.8Very high67 Ų6758.6 Ų58.636%0.35830%0.304SS..  trans-76.392.7175.3-177.7-7.7000110.6A405 N406 G407D403-A405 PolarHBondContact O-N 2.83Å; D403-A405 WeakPolarHBondContact OD1-CA 3.37Å; D403-A405 WeakPolarHBondContact OD1-CB 3.45Å; D403-A405 PolarHBondContact OD1-N 3.22Å; D403-N406 PolarHBondContact OD1-N 3.13Å; D403-N406 WeakPolarHBondContact OD2-CB 3.15Å; D403-N406 PolarHBondContact OD2-ND2 3.44Å; D403-G407 WeakPolarHBondContact O-CA 3.47Å; D403-G407 PolarHBondContact O-N 3.38Å
404R98.1Very high97.8Very high20 Ų2061.4 Ų61.48%0.07532%0.317CS..THydrogen-bonded Turntrans-73.6-0.2177.1-61.4-59.4-178.1-117.52.1114.7A329 E338 M367 D401 D402 I409 R410 S411A329-R404 PolarHBondContact O-NH1 3.47Å; A329-R404 PolarHBondContact O-NH2 2.92Å; E338-R404 WeakPolarHBondContact OE1-CD 3.47Å; E338-R404 WeakPolarHBondContact OE1-CG 3.37Å; E338-R404 IonicContact OE1-NE 3.2Å; E338-R404 PolarHBondContact OE1-NE 3.15Å; M367-R404 HydrophobicContact CE-CG 4.23Å; M367-R404 HydrophobicContact SD-CG 4.37Å; D401-R404 PolarHBondContact O-NH1 2.92Å; D401-R404 VanDerWaalsContact O-NH1 3.08Å; D402-R404 PolarHBondContact O-N 3.16Å; R404-I409 VanDerWaalsContact CD-O 3.32Å; R404-I409 WeakPolarHBondContact CD-O 3.44Å; R404-R410 CarbonylContact O-C 3.5Å; R404-R410 WeakPolarHBondContact O-CA 2.97Å; R404-R410 WeakPolarHBondContact O-CB 3.41Å; R404-S411 PolarHBondContact O-N 3.47Å
405A97.9Very high97.8Very high25 Ų2557 Ų5721%0.20730%0.297CS..THydrogen-bonded Turntrans-97.9-46.817400000112.2D403 R410 H414D403-A405 PolarHBondContact O-N 2.83Å; D403-A405 WeakPolarHBondContact OD1-CA 3.37Å; D403-A405 WeakPolarHBondContact OD1-CB 3.45Å; D403-A405 PolarHBondContact OD1-N 3.22Å; A405-R410 WeakPolarHBondContact O-CD 3.44Å; A405-R410 PolarHBondContact O-NE 2.96Å; A405-H414 VanDerWaalsContact CA-CD2 3.5Å; A405-H414 WeakPolarHBondContact CA-CD2 3.15Å; A405-H414 HydrophobicContact CB-CB 4.45Å; A405-H414 VanDerWaalsContact CB-CD2 3.46Å; A405-H414 WeakPolarHBondContact CB-CD2 3.4Å
406N97.2Very high97.6Very high105 Ų10557.3 Ų57.356%0.56129%0.29SS*.THydrogen-bonded Turntrans-118.4-12.7-172.9-52.8-76000114.6Y321 D403 R410Y321-N406 PolarHBondContact OH-O 3.04Å; D403-N406 PolarHBondContact OD1-N 3.13Å; D403-N406 WeakPolarHBondContact OD2-CB 3.15Å; D403-N406 PolarHBondContact OD2-ND2 3.44Å; N406-R410 PolarHBondContact O-NH2 2.92Å
407G97.2Very high97.4Very high4 Ų455.9 Ų55.94%0.04129%0.292CS..SBendtrans-70-172.8-177.100000114.9D401 D403 R410 Y416D401-G407 WeakPolarHBondContact OD1-CA 3.49Å; D403-G407 WeakPolarHBondContact O-CA 3.47Å; D403-G407 PolarHBondContact O-N 3.38Å; G407-R410 PolarHBondContact O-NE 3.26Å; G407-Y416 PolarHBondContact O-OH 2.93Å
408C97.4Very high97.2Very high0 Ų060.7 Ų60.70%031%0.314CS..SBendtrans-64.7-43-178.5-1740000111.9C312 Y321 A329 D401C312-C408 PolarHBondContact SG-O 3.48Å; Y321-C408 HydrophobicContact CD1-CB 3.87Å; Y321-C408 HydrophobicContact CD2-CB 4.28Å; Y321-C408 HydrophobicContact CE1-CB 3.91Å; Y321-C408 HydrophobicContact CE2-CB 4.34Å; Y321-C408 HydrophobicContact CG-CB 4.06Å; A329-C408 HydrophobicContact CB-CB 4Å; D401-C408 VanDerWaalsContact OD2-CB 3.23Å; D401-C408 WeakPolarHBondContact OD2-CB 3.31Å; D401-C408 PolarHBondContact OD2-N 3.25Å
409I98.4Very high96.9Very high0 Ų056.3 Ų56.30%029%0.291CS..BIsolated β-bridgetrans-108.7127.4174.4-59.9171.2000108.3C312 A329 I335 E338 R404C312-I409 HydrophobicContact CB-CG1 4.39Å; A329-I409 HydrophobicContact CB-CB 4.18Å; A329-I409 HydrophobicContact CB-CD1 3.64Å; A329-I409 HydrophobicContact CB-CG1 3.77Å; I335-I409 HydrophobicContact CD1-CD1 4.43Å; I335-I409 HydrophobicContact CG1-CD1 3.57Å; I335-I409 HydrophobicContact CG1-CG1 3.91Å; I335-I409 HydrophobicContact CG1-CG2 4.27Å; E338-I409 HydrophobicContact CG-CG2 4.03Å; R404-I409 VanDerWaalsContact CD-O 3.32Å; R404-I409 WeakPolarHBondContact CD-O 3.44Å
410R98.2Very high96.5Very high49 Ų4952.5 Ų52.519%0.18527%0.268CS..  trans-117.2157.1-175.2-59.6-174.5-178.8-169.6-8.3112.8L311 R404 A405 N406 G407 H414 Y416L311-R410 PolarHBondContact O-N 3.27Å; R404-R410 CarbonylContact O-C 3.5Å; R404-R410 WeakPolarHBondContact O-CA 2.97Å; R404-R410 WeakPolarHBondContact O-CB 3.41Å; A405-R410 WeakPolarHBondContact O-CD 3.44Å; A405-R410 PolarHBondContact O-NE 2.96Å; N406-R410 PolarHBondContact O-NH2 2.92Å; G407-R410 PolarHBondContact O-NE 3.26Å; R410-H414 HydrophobicContact CB-CB 4.47Å; R410-H414 WeakPolarHBondContact CD-O 3.34Å; R410-Y416 HydrophobicContact CG-CE2 3.95Å; R410-Y416 VanDerWaalsContact CZ-CE1 3.44Å; R410-Y416 PolarHBondContact NE-OH 3.24Å
411S98.3Very high96.3Very high23 Ų2351.3 Ų51.316%0.16126%0.262CS..  trans-71.6166.5170.870.50000111.2E338 R404 E413 H414 A415E338-S411 WeakPolarHBondContact OE2-CA 3.43Å; R404-S411 PolarHBondContact O-N 3.47Å; S411-E413 VanDerWaalsContact C-N 3.25Å; S411-E413 PolarHBondContact O-N 3.06Å; S411-H414 CarbonylContact O-C 3.59Å; S411-H414 PolarHBondContact O-N 3.15Å; S411-H414 VanDerWaalsContact O-N 3.15Å; S411-H414 PolarHBondContact OG-CD2 2.96Å; S411-A415 PolarHBondContact O-N 3.47Å
412L97.5Very high96.2Very high80 Ų8050.3 Ų50.342%0.41926%0.257SS..SBendtrans-55.7-38.8175.4174.165.3000112.9P309 A342 H414 A415P309-L412 HydrophobicContact CB-CD1 3.96Å; P309-L412 HydrophobicContact CG-CD1 3.67Å; A342-L412 HydrophobicContact CB-CB 4.27Å; A342-L412 HydrophobicContact CB-CD2 4.11Å; L412-H414 VanDerWaalsContact C-N 3.27Å; L412-H414 PolarHBondContact O-N 3.5Å; L412-A415 PolarHBondContact O-N 3.14Å
413E97.5Very high96.1Very high161 Ų16145.7 Ų45.775%0.75223%0.232SC*.THydrogen-bonded Turntrans-62.6-36.6179.9-177.1176.817400112S411S411-E413 VanDerWaalsContact C-N 3.25Å; S411-E413 PolarHBondContact O-N 3.06Å
414H97.8Very high96.1Very high77 Ų7742.5 Ų42.536%0.35622%0.215SC..THydrogen-bonded Turntrans-108.417.2-175.7-57.8-57.7000113.4A405 R410 S411 L412A405-H414 VanDerWaalsContact CA-CD2 3.5Å; A405-H414 WeakPolarHBondContact CA-CD2 3.15Å; A405-H414 HydrophobicContact CB-CB 4.45Å; A405-H414 VanDerWaalsContact CB-CD2 3.46Å; A405-H414 WeakPolarHBondContact CB-CD2 3.4Å; R410-H414 HydrophobicContact CB-CB 4.47Å; R410-H414 WeakPolarHBondContact CD-O 3.34Å; S411-H414 CarbonylContact O-C 3.59Å; S411-H414 PolarHBondContact O-N 3.15Å; S411-H414 VanDerWaalsContact O-N 3.15Å; S411-H414 PolarHBondContact OG-CD2 2.96Å; L412-H414 VanDerWaalsContact C-N 3.27Å; L412-H414 PolarHBondContact O-N 3.5Å
415A97.2Very high96.1Very high21 Ų2141.5 Ų41.517%0.17421%0.211CC..  trans-51.3144.9-18000000111.7P309 L311 S411 L412 S417P309-A415 HydrophobicContact CB-CB 3.94Å; L311-A415 HydrophobicContact CD2-CB 3.76Å; S411-A415 PolarHBondContact O-N 3.47Å; L412-A415 PolarHBondContact O-N 3.14Å; A415-S417 PolarHBondContact O-N 3.48Å
416Y94.7Very high96.2Very high61 Ų6143.8 Ų43.824%0.23922%0.215CC..SBendtrans-61.6-34.5176.4-70.6-83.2000111.8Q310 K313 Y321 G407 R410Q310-Y416 PolarHBondContact O-N 3.02Å; K313-Y416 HydrophobicContact CB-CD1 3.9Å; K313-Y416 HydrophobicContact CB-CD2 3.84Å; K313-Y416 HydrophobicContact CB-CE1 3.83Å; K313-Y416 HydrophobicContact CB-CE2 3.79Å; K313-Y416 HydrophobicContact CB-CG 3.9Å; K313-Y416 HydrophobicContact CD-CD1 3.85Å; K313-Y416 HydrophobicContact CD-CE1 4.29Å; K313-Y416 HydrophobicContact CD-CG 4.22Å; Y321-Y416 WeakPolarHBondContact CE2-OH 3.15Å; G407-Y416 PolarHBondContact O-OH 2.93Å; R410-Y416 HydrophobicContact CG-CE2 3.95Å; R410-Y416 VanDerWaalsContact CZ-CE1 3.44Å; R410-Y416 PolarHBondContact NE-OH 3.24Å
417S94.1Very high96.2Very high45 Ų4539.7 Ų39.732%0.31520%0.197SC..BIsolated β-bridgetrans-149.7145.9171.6176.80000108.7P309 Q310 A415 D419P309-S417 WeakPolarHBondContact CA-O 3.15Å; P309-S417 WeakPolarHBondContact CB-O 3.39Å; Q310-S417 PolarHBondContact N-O 3.2Å; A415-S417 PolarHBondContact O-N 3.48Å; S417-D419 VanDerWaalsContact C-N 3.35Å; S417-D419 WeakPolarHBondContact CB-O 3.44Å; S417-D419 PolarHBondContact OG-N 3.13Å; S417-D419 PolarHBondContact OG-O 3.27Å
418K92.8Very high96.2Very high167 Ų16740.9 Ų40.973%0.72620%0.203SC*.SBendtrans-81-19.6170.3-68.2-174.1177.8-177.50112.5
419D91Very high96.2Very high50 Ų5040.9 Ų40.927%0.26720%0.203SC..SBendtrans-86148.4166.7-164.711.7000109.2S417 R554S417-D419 VanDerWaalsContact C-N 3.35Å; S417-D419 WeakPolarHBondContact CB-O 3.44Å; S417-D419 PolarHBondContact OG-N 3.13Å; S417-D419 PolarHBondContact OG-O 3.27Å; D419-R554 IonicContact OD1-CZ 2.63Å; D419-R554 IonicContact OD1-NH1 2.8Å; D419-R554 PolarHBondContact OD1-NH1 2.86Å; D419-R554 IonicContact OD1-NH2 3.5Å; D419-R554 PolarHBondContact OD1-NH2 3.38Å; D419-R554 IonicContact OD2-CZ 2.62Å; D419-R554 IonicContact OD2-NH1 2.8Å; D419-R554 PolarHBondContact OD2-NH1 2.85Å; D419-R554 IonicContact OD2-NH2 3.66Å
420G90.3Very high96.2Very high1 Ų140.9 Ų40.91%0.0120%0.203CC..  trans-61155.9-175.300000113.1S305 V308 L422 T438S305-G420 PolarHBondContact O-N 2.98Å; V308-G420 WeakPolarHBondContact O-CA 3.25Å; V308-G420 PolarHBondContact O-N 3.16Å; V308-G420 VanDerWaalsContact O-N 3.13Å; G420-L422 PolarHBondContact O-N 3.27Å; G420-T438 PolarHBondContact O-OG1 3.35Å
421G93.7Very high96.2Very high0 Ų043.5 Ų43.50%022%0.217CC..SBendtrans-74-4.1176.700000114.9I273 K437 T438 A439I273-G421 WeakPolarHBondContact O-CA 3.35Å; I273-G421 PolarHBondContact O-N 3.04Å; G421-K437 CarbonylContact O-C 3.59Å; G421-T438 WeakPolarHBondContact CA-OG1 3.47Å; G421-T438 PolarHBondContact O-N 3.38Å; G421-T438 PolarHBondContact O-OG1 3.24Å; G421-A439 WeakPolarHBondContact O-CB 3.46Å; G421-A439 PolarHBondContact O-N 3.5Å; G421-A439 VanDerWaalsContact O-N 3.12Å
422L95.6Very high96.2Very high2 Ų245.5 Ų45.51%0.0123%0.226CC..SBendtrans-133.6149.1172.3-63.8173.1000108.3M269 D272 I273 T279 S305 G420 V436 K437 T438M269-L422 HydrophobicContact CE-CD1 3.68Å; D272-L422 WeakPolarHBondContact OD2-CD1 3.49Å; I273-L422 HydrophobicContact CG1-CB 4.32Å; I273-L422 HydrophobicContact CG1-CD1 4.46Å; T279-L422 HydrophobicContact CG2-CD2 4.14Å; S305-L422 WeakPolarHBondContact CB-O 3.3Å; G420-L422 PolarHBondContact O-N 3.27Å; L422-V436 CarbonylContact C-O 3.51Å; L422-V436 WeakPolarHBondContact CA-O 3.14Å; L422-K437 HydrophobicContact CD2-CB 4Å; L422-K437 HydrophobicContact CD2-CG 4.14Å; L422-T438 PolarHBondContact N-OG1 2.75Å
423A96.1Very high96.2Very high1 Ų141.8 Ų41.81%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-140.2147.6172.900000111.6L425 V436 T438 I551A423-L425 HydrophobicContact CB-CD2 4.48Å; A423-V436 HydrophobicContact CB-CG1 3.86Å; A423-V436 PolarHBondContact N-O 2.85Å; A423-V436 PolarHBondContact O-N 3.35Å; A423-T438 HydrophobicContact CB-CG2 3.6Å; A423-I551 HydrophobicContact CB-CG2 4.48Å
424V97.9Very high96.3Very high0 Ų034.1 Ų34.10%017%0.171CC..EExtended strand (participates in β ladder)trans-95.6128.9168.7-177.20000108.8M298 I301 D302 Y426 C434 I435 R554M298-V424 HydrophobicContact CE-CB 4.04Å; M298-V424 HydrophobicContact CE-CG1 3.26Å; M298-V424 HydrophobicContact CE-CG2 3.67Å; I301-V424 HydrophobicContact CB-CG2 4.34Å; I301-V424 HydrophobicContact CG2-CG2 3.97Å; D302-V424 HydrophobicContact CB-CB 3.83Å; D302-V424 HydrophobicContact CB-CG1 4.43Å; D302-V424 HydrophobicContact CB-CG2 3.8Å; V424-Y426 HydrophobicContact CB-CE2 4.24Å; V424-Y426 HydrophobicContact CG1-CD2 4.07Å; V424-Y426 HydrophobicContact CG1-CE1 4.34Å; V424-Y426 HydrophobicContact CG1-CE2 3.39Å; V424-C434 WeakPolarHBondContact CA-O 3.41Å; V424-I435 HydrophobicContact CB-CD1 4.29Å; V424-I435 HydrophobicContact CG2-CD1 3.65Å; V424-R554 WeakPolarHBondContact O-CB 3.45Å; V424-R554 VanDerWaalsContact O-CD 3.31Å; V424-R554 WeakPolarHBondContact O-CD 3.43Å
425L98.4Very high96.2Very high0 Ų030.5 Ų30.50%015%0.154CC..EExtended strand (participates in β ladder)trans-112145.5173.8-45.2177.8000110.1A423 G433 C434 V436 I525 I549 I551 R554 I556A423-L425 HydrophobicContact CB-CD2 4.48Å; L425-G433 CarbonylContact O-C 3.46Å; L425-G433 VanDerWaalsContact O-CA 3.23Å; L425-G433 WeakPolarHBondContact O-CA 3.46Å; L425-C434 PolarHBondContact N-O 2.87Å; L425-C434 PolarHBondContact O-N 3.04Å; L425-V436 HydrophobicContact CD1-CG1 4.03Å; L425-V436 HydrophobicContact CD2-CG1 4.26Å; L425-V436 HydrophobicContact CG-CG1 4.07Å; L425-I525 HydrophobicContact CD1-CD1 3.91Å; L425-I525 HydrophobicContact CD1-CG1 4.48Å; L425-I549 HydrophobicContact CD1-CG2 4.21Å; L425-I551 HydrophobicContact CD1-CG1 4.3Å; L425-I551 HydrophobicContact CD2-CG1 4.26Å; L425-R554 HydrophobicContact CD2-CB 4.5Å; L425-I556 HydrophobicContact CB-CB 4.19Å; L425-I556 HydrophobicContact CB-CG2 3.83Å; L425-I556 HydrophobicContact CD1-CB 4.44Å
426Y98.6Very high96.2Very high72 Ų7229.5 Ų29.528%0.28215%0.146SC..EExtended strand (participates in β ladder)trans-126.5153.5175.9-64.6-87.2000111.1D302 V424 R554 G555 I556D302-Y426 HydrophobicContact CB-CE2 4.45Å; V424-Y426 HydrophobicContact CB-CE2 4.24Å; V424-Y426 HydrophobicContact CG1-CD2 4.07Å; V424-Y426 HydrophobicContact CG1-CE1 4.34Å; V424-Y426 HydrophobicContact CG1-CE2 3.39Å; Y426-R554 PolarHBondContact N-O 2.81Å; Y426-G555 CarbonylContact O-C 3.49Å; Y426-G555 WeakPolarHBondContact O-CA 3.43Å; Y426-I556 PolarHBondContact O-N 3.4Å
427G97.9Very high96.2Very high19 Ų1927.3 Ų27.320%0.19614%0.138CC..EExtended strand (participates in β ladder)trans167.4-166.3164.800000111.7F429 A430 E431 I556G427-F429 PolarHBondContact O-N 3.28Å; G427-A430 PolarHBondContact N-O 2.81Å; G427-A430 CarbonylContact O-C 3.49Å; G427-A430 PolarHBondContact O-N 2.89Å; G427-E431 PolarHBondContact O-N 3.45Å; G427-I556 WeakPolarHBondContact CA-O 3.5Å
428N97.4Very high96.1Very high29 Ų2925.9 Ų25.916%0.15513%0.127CC..THydrogen-bonded Turntrans-62.3-16.6-162.965.2-17.7000116.2Q557 L558N428-Q557 PolarHBondContact ND2-NE2 2.81Å; N428-Q557 VanDerWaalsContact ND2-NE2 3.16Å; N428-L558 PolarHBondContact ND2-O 3.29Å; N428-L558 PolarHBondContact OD1-N 2.98Å
429F98.1Very high96Very high1 Ų118 Ų180%0.0049%0.093CC..THydrogen-bonded Turntrans-116.2-0.5172.572.3-90.8000115.3G427 I511 V528 I538 I541 I547 I556 L558G427-F429 PolarHBondContact O-N 3.28Å; F429-I511 HydrophobicContact CE2-CD1 4.47Å; F429-I511 HydrophobicContact CE2-CG2 3.93Å; F429-I511 HydrophobicContact CZ-CD1 4.05Å; F429-V528 HydrophobicContact CD2-CG1 3.97Å; F429-V528 HydrophobicContact CE2-CG1 4.42Å; F429-V528 HydrophobicContact CE2-CG2 4.4Å; F429-V528 WeakPolarHBondContact O-CG1 3.2Å; F429-I538 HydrophobicContact CD2-CB 4.24Å; F429-I538 HydrophobicContact CD2-CG1 4.49Å; F429-I541 HydrophobicContact CD2-CD1 4.08Å; F429-I541 HydrophobicContact CE2-CD1 4.29Å; F429-I541 HydrophobicContact CG-CD1 4.21Å; F429-I547 HydrophobicContact CE1-CG2 4.11Å; F429-I547 HydrophobicContact CZ-CG2 4.07Å; F429-I556 HydrophobicContact CE1-CD1 4.32Å; F429-I556 HydrophobicContact CE1-CG1 3.76Å; F429-I556 HydrophobicContact CE2-CD1 3.93Å; F429-I556 HydrophobicContact CE2-CG1 4.26Å; F429-I556 HydrophobicContact CZ-CD1 3.43Å; F429-I556 VanDerWaalsContact CZ-CD1 3.43Å; F429-I556 HydrophobicContact CZ-CG1 3.38Å; F429-L558 HydrophobicContact CD1-CB 3.75Å; F429-L558 HydrophobicContact CE1-CB 4.21Å
430A98.3Very high95.9Very high0 Ų016.2 Ų16.20%09%0.086CC..EExtended strand (participates in β ladder)trans-126.658.3173.300000108.5G427 N432 G433 C434 V528 S529 I556G427-A430 PolarHBondContact N-O 2.81Å; G427-A430 CarbonylContact O-C 3.49Å; G427-A430 PolarHBondContact O-N 2.89Å; A430-N432 VanDerWaalsContact C-N 3.3Å; A430-N432 PolarHBondContact O-N 3.21Å; A430-G433 WeakPolarHBondContact O-CA 3.5Å; A430-G433 PolarHBondContact O-N 3.46Å; A430-C434 HydrophobicContact CB-CB 4.08Å; A430-V528 HydrophobicContact CB-CG1 4.14Å; A430-S529 CarbonylContact C-O 3.52Å; A430-I556 HydrophobicContact CB-CG2 3.93Å
431E97.1Very high96Very high103 Ų10316.6 Ų16.648%0.4819%0.088SC..EExtended strand (participates in β ladder)trans-60.4-39.3-171.6-63166.4-136.200111.9G427 G433 S529 S537G427-E431 PolarHBondContact O-N 3.45Å; E431-G433 VanDerWaalsContact C-N 3.31Å; E431-S529 PolarHBondContact N-O 3.03Å; E431-S529 VanDerWaalsContact N-O 3.17Å; E431-S537 PolarHBondContact OE1-OG 2.79Å; E431-S537 VanDerWaalsContact OE1-OG 3.12Å
432N97.9Very high95.8Very high66 Ų6619 Ų1935%0.35310%0.101SC..EExtended strand (participates in β ladder)trans-93.88.4175.1-60.2-14.2000112.5A430 S529 D604A430-N432 VanDerWaalsContact C-N 3.3Å; A430-N432 PolarHBondContact O-N 3.21Å; N432-S529 PolarHBondContact N-O 2.92Å; N432-D604 HydrophobicContact CB-CB 3.99Å
433G98.2Very high95.5Very high1 Ų125.4 Ų25.41%0.0114%0.136CC..EExtended strand (participates in β ladder)trans95.2168.3178.400000114.7L425 A430 E431 S529L425-G433 CarbonylContact O-C 3.46Å; L425-G433 VanDerWaalsContact O-CA 3.23Å; L425-G433 WeakPolarHBondContact O-CA 3.46Å; A430-G433 WeakPolarHBondContact O-CA 3.5Å; A430-G433 PolarHBondContact O-N 3.46Å; E431-G433 VanDerWaalsContact C-N 3.31Å; G433-S529 PolarHBondContact O-N 3.03Å; G433-S529 VanDerWaalsContact O-N 3.09Å
434C98.4Very high95.4Very high1 Ų129.5 Ų29.51%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-146167.6169.265.20000109.6V424 L425 A430 I525 G526 V528V424-C434 WeakPolarHBondContact CA-O 3.41Å; L425-C434 PolarHBondContact N-O 2.87Å; L425-C434 PolarHBondContact O-N 3.04Å; A430-C434 HydrophobicContact CB-CB 4.08Å; C434-I525 HydrophobicContact CB-CG2 3.94Å; C434-I525 WeakPolarHBondContact SG-CG2 3.44Å; C434-G526 WeakPolarHBondContact CB-O 3.17Å; C434-V528 HydrophobicContact CB-CB 4.36Å; C434-V528 HydrophobicContact CB-CG2 3.75Å
435I97.4Very high95.2Very high1 Ų130 Ų301%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-120.5138.4-173.1-62.6-64.2000111.3T279 V282 M298 V424 I525 G526T279-I435 HydrophobicContact CG2-CG2 3.61Å; V282-I435 HydrophobicContact CB-CG1 4.31Å; V282-I435 HydrophobicContact CG1-CD1 4.01Å; V282-I435 HydrophobicContact CG1-CG1 3.93Å; V282-I435 HydrophobicContact CG2-CD1 4.12Å; V282-I435 HydrophobicContact CG2-CG1 4.28Å; V282-I435 HydrophobicContact CG2-CG2 4.36Å; M298-I435 HydrophobicContact CE-CD1 3.42Å; M298-I435 VanDerWaalsContact CE-CD1 3.42Å; M298-I435 HydrophobicContact CE-CG1 4.03Å; M298-I435 HydrophobicContact SD-CD1 3.94Å; M298-I435 HydrophobicContact SD-CG1 4.35Å; V424-I435 HydrophobicContact CB-CD1 4.29Å; V424-I435 HydrophobicContact CG2-CD1 3.65Å; I435-I525 WeakPolarHBondContact O-CA 3.5Å; I435-G526 PolarHBondContact N-O 2.96Å; I435-G526 PolarHBondContact O-N 3.24Å
436V95.8Very high95.1Very high0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-129141.2170.4640000111L422 A423 L425 T438 V441 L523 I525 I551L422-V436 CarbonylContact C-O 3.51Å; L422-V436 WeakPolarHBondContact CA-O 3.14Å; A423-V436 HydrophobicContact CB-CG1 3.86Å; A423-V436 PolarHBondContact N-O 2.85Å; A423-V436 PolarHBondContact O-N 3.35Å; L425-V436 HydrophobicContact CD1-CG1 4.03Å; L425-V436 HydrophobicContact CD2-CG1 4.26Å; L425-V436 HydrophobicContact CG-CG1 4.07Å; V436-T438 HydrophobicContact CG1-CG2 4.01Å; V436-T438 PolarHBondContact O-N 3.01Å; V436-V441 HydrophobicContact CG2-CG2 4Å; V436-L523 HydrophobicContact CG2-CD1 4.31Å; V436-I525 HydrophobicContact CB-CG1 4.13Å; V436-I525 HydrophobicContact CG2-CG1 4.13Å; V436-I551 HydrophobicContact CG1-CD1 4.17Å; V436-I551 HydrophobicContact CG1-CG1 4.28Å; V436-I551 HydrophobicContact CG2-CD1 4.18Å
437K94.7Very high95Very high14 Ų1434.3 Ų34.36%0.06119%0.189CC..  trans-89.184.7171-179.2176175.5153.50110.2G276 G277 T279 S317 G421 L422 A439 G440 G518G276-K437 WeakPolarHBondContact O-CE 3.45Å; G276-K437 PolarHBondContact O-NZ 2.62Å; G277-K437 WeakPolarHBondContact O-CD 3.31Å; G277-K437 WeakPolarHBondContact O-CE 3.48Å; G277-K437 PolarHBondContact O-NZ 2.77Å; T279-K437 HydrophobicContact CG2-CB 3.77Å; S317-K437 WeakPolarHBondContact OG-CE 3.41Å; G421-K437 CarbonylContact O-C 3.59Å; L422-K437 HydrophobicContact CD2-CB 4Å; L422-K437 HydrophobicContact CD2-CG 4.14Å; K437-A439 HydrophobicContact CG-CB 4.18Å; K437-A439 PolarHBondContact O-N 2.99Å; K437-G440 PolarHBondContact O-N 3.07Å; K437-G518 PolarHBondContact NZ-O 3.11Å
438T93.3Very high95Very high16 Ų1634.4 Ų34.410%0.09818%0.184CC..G310 helixtrans-55.7-30.8178.850.80000112.9G420 G421 L422 A423 V436 G440 V441 I551G420-T438 PolarHBondContact O-OG1 3.35Å; G421-T438 WeakPolarHBondContact CA-OG1 3.47Å; G421-T438 PolarHBondContact O-N 3.38Å; G421-T438 PolarHBondContact O-OG1 3.24Å; L422-T438 PolarHBondContact N-OG1 2.75Å; A423-T438 HydrophobicContact CB-CG2 3.6Å; V436-T438 HydrophobicContact CG1-CG2 4.01Å; V436-T438 PolarHBondContact O-N 3.01Å; T438-G440 PolarHBondContact O-N 3.07Å; T438-G440 VanDerWaalsContact O-N 3.07Å; T438-V441 PolarHBondContact O-N 3.31Å; T438-I551 HydrophobicContact CG2-CD1 4.48Å; T438-I551 HydrophobicContact CG2-CG2 3.53Å
439A90.5Very high95.1Very high1 Ų136.9 Ų36.91%0.00820%0.2CC..G310 helixtrans-55.4-27.1174.800000114Q310 K313 S317 G421 K437Q310-A439 VanDerWaalsContact NE2-CB 3.27Å; K313-A439 WeakPolarHBondContact CE-O 3.16Å; S317-A439 WeakPolarHBondContact CB-O 3.23Å; G421-A439 WeakPolarHBondContact O-CB 3.46Å; G421-A439 PolarHBondContact O-N 3.5Å; G421-A439 VanDerWaalsContact O-N 3.12Å; K437-A439 HydrophobicContact CG-CB 4.18Å; K437-A439 PolarHBondContact O-N 2.99Å
440G88.2Confident95.1Very high12 Ų1237 Ų3712%0.12420%0.202CC..G310 helixtrans-100.9-0.6178.200000114.3K437 T438 G522K437-G440 PolarHBondContact O-N 3.07Å; T438-G440 PolarHBondContact O-N 3.07Å; T438-G440 VanDerWaalsContact O-N 3.07Å; G440-G522 PolarHBondContact O-N 3.21Å
441V92.1Very high95.1Very high9 Ų939.2 Ų39.26%0.05522%0.217CC..SBendtrans-90140.6179.7-175.40000109.4V436 T438 I445 L446 L523 I551V436-V441 HydrophobicContact CG2-CG2 4Å; T438-V441 PolarHBondContact O-N 3.31Å; V441-I445 HydrophobicContact CG1-CD1 4.36Å; V441-I445 HydrophobicContact CG1-CG1 3.84Å; V441-L446 HydrophobicContact CB-CD2 4.32Å; V441-L446 HydrophobicContact CG1-CD2 3.97Å; V441-L523 HydrophobicContact CG1-CD1 4.33Å; V441-L523 HydrophobicContact CG2-CD1 4.35Å; V441-I551 HydrophobicContact CG1-CD1 4.26Å; V441-I551 HydrophobicContact CG2-CD1 4.25Å
442D90.1Very high95.2Very high50 Ų5034.3 Ų34.327%0.26719%0.194SC..  trans-78.8138.8173.7-172.1-81.2000110.3S444 I445 K506D442-S444 PolarHBondContact O-N 3.43Å; D442-S444 VanDerWaalsContact OD1-CB 3.29Å; D442-S444 WeakPolarHBondContact OD1-CB 3.35Å; D442-S444 PolarHBondContact OD1-N 3.45Å; D442-S444 PolarHBondContact OD1-OG 2.87Å; D442-I445 HydrophobicContact CB-CD1 4.45Å; D442-I445 HydrophobicContact CB-CG1 4.16Å; D442-I445 VanDerWaalsContact O-CG1 3.28Å; D442-I445 WeakPolarHBondContact O-CG1 3.33Å; D442-I445 PolarHBondContact O-N 3.33Å; D442-K506 HydrophobicContact CB-CD 4.14Å; D442-K506 HydrophobicContact CB-CG 4.36Å; D442-K506 VanDerWaalsContact OD2-CE 3.26Å; D442-K506 WeakPolarHBondContact OD2-CE 3.48Å; D442-K506 IonicContact OD2-NZ 3.5Å; D442-K506 PolarHBondContact OD2-NZ 3.01Å
443D90.3Very high95.2Very high137 Ų13734.4 Ų34.473%0.73319%0.191SC*.G310 helixtrans-54.8-30.4-176.9-67.3-6000112.8I445D443-I445 PolarHBondContact O-N 3.38Å
444S92.9Very high95.2Very high88 Ų8835.5 Ų35.562%0.61520%0.197SC*.G310 helixtrans-68.6-16179.864.20000114.7D442D442-S444 PolarHBondContact O-N 3.43Å; D442-S444 VanDerWaalsContact OD1-CB 3.29Å; D442-S444 WeakPolarHBondContact OD1-CB 3.35Å; D442-S444 PolarHBondContact OD1-N 3.45Å; D442-S444 PolarHBondContact OD1-OG 2.87Å
445I94.1Very high95.2Very high11 Ų1137 Ų376%0.05620%0.203CC..G310 helixtrans-124.319.6-176.862.3174.2000113.2V441 D442 D443 K447 F448 K506 L523V441-I445 HydrophobicContact CG1-CD1 4.36Å; V441-I445 HydrophobicContact CG1-CG1 3.84Å; D442-I445 HydrophobicContact CB-CD1 4.45Å; D442-I445 HydrophobicContact CB-CG1 4.16Å; D442-I445 VanDerWaalsContact O-CG1 3.28Å; D442-I445 WeakPolarHBondContact O-CG1 3.33Å; D442-I445 PolarHBondContact O-N 3.33Å; D443-I445 PolarHBondContact O-N 3.38Å; I445-K447 PolarHBondContact O-N 3.06Å; I445-F448 HydrophobicContact CB-CD2 4.31Å; I445-F448 HydrophobicContact CG2-CD2 4.21Å; I445-K506 WeakPolarHBondContact CG2-O 3.4Å; I445-L523 HydrophobicContact CD1-CB 3.95Å
446L95.2Very high95.2Very high45 Ų4538 Ų3824%0.23621%0.207CC..SBendtrans-60.9-24.9170.3-69.4175.1000112.5V441 I551 P552V441-L446 HydrophobicContact CB-CD2 4.32Å; V441-L446 HydrophobicContact CG1-CD2 3.97Å; L446-I551 HydrophobicContact CD2-CB 4.43Å; L446-I551 HydrophobicContact CD2-CD1 4.19Å; L446-I551 HydrophobicContact CD2-CG2 4.27Å; L446-I551 WeakPolarHBondContact O-CB 3.43Å; L446-I551 PolarHBondContact O-N 3.31Å; L446-P552 HydrophobicContact CB-CG 4.31Å; L446-P552 WeakPolarHBondContact O-CD 3.43Å
447K97.7Very high95.2Very high116 Ų11638.1 Ų38.150%0.50421%0.209SC..EExtended strand (participates in β ladder)trans-117.4126.4164.6-58.7-168.9-177.5-1390108.4I445 I549 D550 N553I445-K447 PolarHBondContact O-N 3.06Å; K447-I549 VanDerWaalsContact CA-O 3.3Å; K447-I549 WeakPolarHBondContact CA-O 3.32Å; K447-D550 WeakPolarHBondContact CE-OD1 3.41Å; K447-D550 IonicContact NZ-OD1 2.61Å; K447-D550 PolarHBondContact NZ-OD1 3.44Å; K447-D550 IonicContact NZ-OD2 2.72Å; K447-D550 PolarHBondContact NZ-OD2 2.91Å; K447-N553 PolarHBondContact NZ-ND2 3.14Å
448F98Very high95.2Very high22 Ų2237.6 Ų37.610%0.09621%0.206CC..EExtended strand (participates in β ladder)trans-140.1139.4-177.4-168.5-87.5000109.5I445 V475 A507 A509 L523 I549I445-F448 HydrophobicContact CB-CD2 4.31Å; I445-F448 HydrophobicContact CG2-CD2 4.21Å; F448-V475 HydrophobicContact CD1-CG2 3.91Å; F448-V475 HydrophobicContact CE1-CG2 3.63Å; F448-A507 WeakPolarHBondContact CE2-O 3.3Å; F448-A507 WeakPolarHBondContact CZ-O 3.36Å; F448-A509 HydrophobicContact CD1-CB 3.91Å; F448-A509 HydrophobicContact CE1-CB 4.03Å; F448-L523 HydrophobicContact CB-CD2 3.48Å; F448-L523 VanDerWaalsContact CB-CD2 3.48Å; F448-L523 HydrophobicContact CD1-CD2 4.47Å; F448-L523 HydrophobicContact CD2-CD2 4.41Å; F448-L523 HydrophobicContact CG-CD2 3.89Å; F448-I549 HydrophobicContact CB-CB 4.46Å; F448-I549 PolarHBondContact N-O 3.4Å; F448-I549 PolarHBondContact O-N 3.11Å
449T98.5Very high95.2Very high80 Ų8041 Ų4149%0.49122%0.224SC..EExtended strand (participates in β ladder)trans-140.8130.6172.5-59.50000108.8I547 A548T449-I547 VanDerWaalsContact CA-O 3.27Å; T449-I547 WeakPolarHBondContact CA-O 3.18Å; T449-A548 HydrophobicContact CG2-CB 4.3Å
450G98.4Very high95.4Very high4 Ų444.2 Ų44.24%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-162.4162.9-176.800000113G473 I547G450-G473 VanDerWaalsContact CA-O 3.29Å; G450-G473 WeakPolarHBondContact CA-O 3.31Å; G450-I547 PolarHBondContact N-O 3.36Å; G450-I547 PolarHBondContact O-N 3.33Å
451P98.7Very high95.8Very high47 Ų4743.6 Ų43.631%0.30524%0.235SC..EExtended strand (participates in β ladder)trans-70.4142.217630.6-34.6000111.2V475 D545 L546P451-V475 PolarHBondContact O-N 3.22Å; P451-D545 CarbonylContact C-O 3.54Å; P451-D545 WeakPolarHBondContact CA-O 3.15Å; P451-L546 HydrophobicContact CB-CD2 4.45Å
452A98.9Very high96Very high0 Ų044.2 Ų44.20%024%0.239CC..EExtended strand (participates in β ladder)trans-72.1139.1177.700000111.6V454 V475 V477 I541 G544 D545 I547A452-V454 HydrophobicContact CB-CG2 4.17Å; A452-V475 CarbonylContact C-O 3.55Å; A452-V475 VanDerWaalsContact CA-O 3.3Å; A452-V475 WeakPolarHBondContact CA-O 3.42Å; A452-V477 HydrophobicContact CB-CG2 4.33Å; A452-I541 HydrophobicContact CB-CG2 3.71Å; A452-G544 PolarHBondContact O-N 3.49Å; A452-D545 HydrophobicContact CB-CB 4.4Å; A452-D545 WeakPolarHBondContact CB-O 3.36Å; A452-D545 PolarHBondContact N-O 3.33Å; A452-I547 HydrophobicContact CB-CD1 3.93Å
453K98.5Very high96.2Very high68 Ų6847.4 Ų47.430%0.29625%0.252SS..EExtended strand (participates in β ladder)trans-117.9108163.1-65-64.8-172.4178.50108.1Y455 D474 V475 V477 D543K453-Y455 HydrophobicContact CB-CE2 3.72Å; K453-Y455 WeakPolarHBondContact O-CD2 3.5Å; K453-Y455 WeakPolarHBondContact O-CE2 3.37Å; K453-D474 VanDerWaalsContact CE-OD2 3.25Å; K453-D474 WeakPolarHBondContact CE-OD2 3.39Å; K453-D474 HydrophobicContact CG-CB 3.94Å; K453-D474 WeakPolarHBondContact CG-OD2 3.3Å; K453-V475 PolarHBondContact N-O 3.34Å; K453-V477 PolarHBondContact O-N 3.18Å; K453-D543 WeakPolarHBondContact CA-OD1 3.34Å
454V98.5Very high96.6Very high23 Ų2340.9 Ų40.914%0.13922%0.217CC..EExtended strand (participates in β ladder)trans-99.7125.4-166.7-173.90000111.1A452 V477 R479 I541 D543A452-V454 HydrophobicContact CB-CG2 4.17Å; V454-V477 WeakPolarHBondContact CA-O 3.48Å; V454-V477 HydrophobicContact CG2-CB 4.4Å; V454-R479 HydrophobicContact CG1-CG 4.35Å; V454-I541 HydrophobicContact CG2-CB 4.45Å; V454-I541 HydrophobicContact CG2-CG2 3.83Å; V454-D543 PolarHBondContact N-OD1 3.18Å
455Y98Very high96.7Very high33 Ų3336.8 Ų36.813%0.12919%0.188CC..EExtended strand (participates in β ladder)trans-126.4147.1177-55.3-78.3000109.8K453 D460 A461 A464 V470 V476 V477 I478 R479K453-Y455 HydrophobicContact CB-CE2 3.72Å; K453-Y455 WeakPolarHBondContact O-CD2 3.5Å; K453-Y455 WeakPolarHBondContact O-CE2 3.37Å; Y455-D460 HydrophobicContact CD1-CB 3.95Å; Y455-D460 HydrophobicContact CG-CB 4.47Å; Y455-A461 HydrophobicContact CD2-CB 3.87Å; Y455-A461 HydrophobicContact CG-CB 3.89Å; Y455-A464 HydrophobicContact CD1-CB 4.32Å; Y455-A464 HydrophobicContact CE1-CB 3.35Å; Y455-A464 HydrophobicContact CE2-CB 4.25Å; Y455-A464 WeakPolarHBondContact OH-CB 3.37Å; Y455-V470 HydrophobicContact CE2-CG2 4.28Å; Y455-V476 HydrophobicContact CD2-CG1 3.79Å; Y455-V476 HydrophobicContact CE2-CG1 3.85Å; Y455-V477 PolarHBondContact N-O 2.9Å; Y455-I478 WeakPolarHBondContact O-CA 3.28Å; Y455-R479 PolarHBondContact O-N 3.24Å
456E96.8Very high96.7Very high21 Ų2139.8 Ų39.810%0.09820%0.204CC..SBendtrans-104.14.8-178-59.8-172.2150.200112.9R479 Y480 P582 K583 R585E456-R479 CarbonylContact C-O 3.42Å; E456-R479 WeakPolarHBondContact CA-O 3.44Å; E456-R479 HydrophobicContact CG-CG 4.38Å; E456-R479 IonicContact OE1-CZ 3.94Å; E456-R479 IonicContact OE1-NE 2.87Å; E456-R479 IonicContact OE1-NH2 3.43Å; E456-R479 PolarHBondContact OE1-NH2 2.93Å; E456-Y480 HydrophobicContact CB-CD2 4.14Å; E456-Y480 HydrophobicContact CG-CD2 4.03Å; E456-Y480 HydrophobicContact CG-CE2 4.2Å; E456-P582 HydrophobicContact CB-CB 4.18Å; E456-P582 VanDerWaalsContact OE2-CA 3.3Å; E456-P582 WeakPolarHBondContact OE2-CA 3.26Å; E456-K583 PolarHBondContact OE2-N 3.07Å; E456-R585 WeakPolarHBondContact O-CD 3.42Å; E456-R585 PolarHBondContact O-NH1 3Å
457S95.2Very high96.8Very high4 Ų440.5 Ų40.53%0.02822%0.222CC..SBendtrans-151.9157.7173.572.50000112.2D459 D460 A461 E481S457-D459 PolarHBondContact O-N 3.37Å; S457-D459 PolarHBondContact OG-N 2.95Å; S457-D460 PolarHBondContact OG-N 3.25Å; S457-D460 VanDerWaalsContact OG-N 3.07Å; S457-D460 PolarHBondContact OG-OD2 3.35Å; S457-A461 PolarHBondContact O-N 3.19Å; S457-E481 VanDerWaalsContact CA-OE1 3.26Å; S457-E481 WeakPolarHBondContact CA-OE1 3.3Å
458Q95Very high96.7Very high3 Ų337 Ų371%0.01422%0.22CC..Hα-helixtrans-55.9-42.4167.5-175.6-173.6-108.800111.5D460 A461 V462 E481 M492 P495Q458-D460 PolarHBondContact O-N 2.83Å; Q458-A461 PolarHBondContact O-N 3.01Å; Q458-V462 HydrophobicContact CG-CG2 4.14Å; Q458-V462 WeakPolarHBondContact O-CB 3.34Å; Q458-V462 WeakPolarHBondContact O-CG2 3.4Å; Q458-V462 PolarHBondContact O-N 2.84Å; Q458-E481 PolarHBondContact N-OE1 2.89Å; Q458-E481 VanDerWaalsContact N-OE1 3.09Å; Q458-M492 HydrophobicContact CB-CG 4.22Å; Q458-M492 HydrophobicContact CB-SD 3.84Å; Q458-M492 HydrophobicContact CG-CG 4.08Å; Q458-M492 HydrophobicContact CG-SD 4.07Å; Q458-M492 VanDerWaalsContact OE1-CA 3.26Å; Q458-M492 VanDerWaalsContact OE1-CB 3.26Å; Q458-M492 VanDerWaalsContact OE1-CG 3.23Å; Q458-P495 HydrophobicContact CG-CG 3.7Å
459D93.9Very high96.6Very high86 Ų8641.7 Ų41.746%0.4624%0.24SC..Hα-helixtrans-61.6-46.4-173.8-52.4-72.5000111.1S457 A461 V462 E463S457-D459 PolarHBondContact O-N 3.37Å; S457-D459 PolarHBondContact OG-N 2.95Å; D459-A461 VanDerWaalsContact C-N 3.34Å; D459-A461 PolarHBondContact O-N 3.38Å; D459-V462 PolarHBondContact O-N 2.75Å; D459-E463 PolarHBondContact O-N 3.11Å
460D95.2Very high96.6Very high69 Ų6938 Ų3837%0.36922%0.217SC..Hα-helixtrans-62.4-41.4176.6-59.6-39.8000111.6Y455 S457 Q458 E463 A464Y455-D460 HydrophobicContact CD1-CB 3.95Å; Y455-D460 HydrophobicContact CG-CB 4.47Å; S457-D460 PolarHBondContact OG-N 3.25Å; S457-D460 VanDerWaalsContact OG-N 3.07Å; S457-D460 PolarHBondContact OG-OD2 3.35Å; Q458-D460 PolarHBondContact O-N 2.83Å; D460-E463 PolarHBondContact O-N 2.69Å; D460-A464 WeakPolarHBondContact O-CB 3.49Å; D460-A464 PolarHBondContact O-N 2.79Å
461A96.2Very high96.5Very high0 Ų041.5 Ų41.50%024%0.238CC..Hα-helixtrans-66.5-41.8179.100000111.6Y455 S457 Q458 D459 A464 I465 V476 I478Y455-A461 HydrophobicContact CD2-CB 3.87Å; Y455-A461 HydrophobicContact CG-CB 3.89Å; S457-A461 PolarHBondContact O-N 3.19Å; Q458-A461 PolarHBondContact O-N 3.01Å; D459-A461 VanDerWaalsContact C-N 3.34Å; D459-A461 PolarHBondContact O-N 3.38Å; A461-A464 PolarHBondContact O-N 3.12Å; A461-I465 WeakPolarHBondContact O-CD1 3.32Å; A461-I465 WeakPolarHBondContact O-CG1 2.99Å; A461-I465 PolarHBondContact O-N 3.41Å; A461-V476 HydrophobicContact CB-CG1 4.44Å; A461-I478 HydrophobicContact CB-CD1 3.59Å; A461-I478 HydrophobicContact CB-CG1 3.78Å
462V95.4Very high96.5Very high22 Ų2242.5 Ų42.513%0.13325%0.25CS..Hα-helixtrans-61.7-47.9175.8159.80000110.9Q458 D459 A464 I465 L466 P495 F498Q458-V462 HydrophobicContact CG-CG2 4.14Å; Q458-V462 WeakPolarHBondContact O-CB 3.34Å; Q458-V462 WeakPolarHBondContact O-CG2 3.4Å; Q458-V462 PolarHBondContact O-N 2.84Å; D459-V462 PolarHBondContact O-N 2.75Å; V462-A464 VanDerWaalsContact C-N 3.26Å; V462-A464 PolarHBondContact O-N 3.29Å; V462-I465 PolarHBondContact O-N 2.68Å; V462-L466 HydrophobicContact CG1-CD1 3.92Å; V462-L466 WeakPolarHBondContact O-CG 3.49Å; V462-L466 PolarHBondContact O-N 3.02Å; V462-P495 HydrophobicContact CG2-CG 4.05Å; V462-F498 HydrophobicContact CB-CD2 4.31Å; V462-F498 HydrophobicContact CB-CE2 4.45Å; V462-F498 HydrophobicContact CG1-CD2 3.68Å; V462-F498 HydrophobicContact CG1-CE2 3.56Å; V462-F498 HydrophobicContact CG2-CD2 3.94Å; V462-F498 HydrophobicContact CG2-CE2 4.06Å
463E95.9Very high96.4Very high116 Ų11643.9 Ų43.954%0.54226%0.264SS..Hα-helixtrans-57.9-43.3176.6-170.8-157.512000110.7D459 D460 G467 K469D459-E463 PolarHBondContact O-N 3.11Å; D460-E463 PolarHBondContact O-N 2.69Å; E463-G467 WeakPolarHBondContact O-CA 3.46Å; E463-G467 PolarHBondContact O-N 3.21Å; E463-K469 IonicContact OE1-NZ 3.29Å; E463-K469 PolarHBondContact OE1-NZ 3.29Å
464A97.1Very high96.4Very high1 Ų141 Ų411%0.00825%0.252CS..Hα-helixtrans-67.9-37.2-179.700000113.8Y455 D460 A461 V462 G468 K469 V470Y455-A464 HydrophobicContact CD1-CB 4.32Å; Y455-A464 HydrophobicContact CE1-CB 3.35Å; Y455-A464 HydrophobicContact CE2-CB 4.25Å; Y455-A464 WeakPolarHBondContact OH-CB 3.37Å; D460-A464 WeakPolarHBondContact O-CB 3.49Å; D460-A464 PolarHBondContact O-N 2.79Å; A461-A464 PolarHBondContact O-N 3.12Å; V462-A464 VanDerWaalsContact C-N 3.26Å; V462-A464 PolarHBondContact O-N 3.29Å; A464-G468 PolarHBondContact O-N 3.05Å; A464-K469 HydrophobicContact CB-CB 3.98Å; A464-K469 HydrophobicContact CB-CD 4.11Å; A464-K469 PolarHBondContact O-N 3.36Å; A464-V470 HydrophobicContact CB-CG2 4.21Å; A464-V470 PolarHBondContact O-N 3.49Å
465I96.1Very high96.4Very high1 Ų139.9 Ų39.91%0.00525%0.245CC..Hα-helixtrans-66.5-53.6176.1-69.5160.1000110.2A461 V462 G467 G468 V470 P495 F498 L499 M502A461-I465 WeakPolarHBondContact O-CD1 3.32Å; A461-I465 WeakPolarHBondContact O-CG1 2.99Å; A461-I465 PolarHBondContact O-N 3.41Å; V462-I465 PolarHBondContact O-N 2.68Å; I465-G467 VanDerWaalsContact C-N 3.31Å; I465-G467 PolarHBondContact O-N 3.32Å; I465-G468 PolarHBondContact O-N 3.45Å; I465-V470 HydrophobicContact CG1-CB 4.19Å; I465-V470 HydrophobicContact CG1-CG2 3.87Å; I465-P495 HydrophobicContact CD1-CB 4Å; I465-F498 HydrophobicContact CG2-CB 3.97Å; I465-L499 HydrophobicContact CD1-CD2 4.18Å; I465-L499 HydrophobicContact CD1-CG 3.98Å; I465-L499 HydrophobicContact CG1-CD2 3.94Å; I465-L499 HydrophobicContact CG1-CG 4.3Å; I465-L499 HydrophobicContact CG2-CD2 3.94Å; I465-L499 HydrophobicContact CG2-CG 4.27Å; I465-M502 HydrophobicContact CG2-CG 4.24Å
466L94.6Very high96.4Very high74 Ų7438.3 Ų38.339%0.38724%0.239SC..Hα-helixtrans-68.1-33.1-177.9-65.9176.8000112V462 G468 F498 M502V462-L466 HydrophobicContact CG1-CD1 3.92Å; V462-L466 WeakPolarHBondContact O-CG 3.49Å; V462-L466 PolarHBondContact O-N 3.02Å; L466-G468 VanDerWaalsContact C-N 3.28Å; L466-G468 PolarHBondContact O-N 3.27Å; L466-F498 HydrophobicContact CD1-CD2 3.84Å; L466-F498 HydrophobicContact CD1-CE2 4Å; L466-F498 HydrophobicContact CD1-CG 4.42Å; L466-F498 HydrophobicContact CD2-CB 3.85Å; L466-F498 HydrophobicContact CD2-CD2 4.15Å; L466-F498 HydrophobicContact CD2-CG 3.94Å; L466-F498 HydrophobicContact CG-CB 4.33Å; L466-F498 HydrophobicContact CG-CD2 4.01Å; L466-F498 HydrophobicContact CG-CG 4.29Å; L466-M502 HydrophobicContact CD2-CG 4.35Å; L466-M502 HydrophobicContact CD2-SD 4.38Å
467G95.7Very high96.5Very high60 Ų6037.3 Ų37.362%0.61923%0.234SC*.THydrogen-bonded Turntrans-79.8-0.117700000115E463 I465 K469E463-G467 WeakPolarHBondContact O-CA 3.46Å; E463-G467 PolarHBondContact O-N 3.21Å; I465-G467 VanDerWaalsContact C-N 3.31Å; I465-G467 PolarHBondContact O-N 3.32Å; G467-K469 VanDerWaalsContact C-N 3.33Å; G467-K469 PolarHBondContact O-N 3.22Å
468G95.3Very high96.6Very high44 Ų4437.1 Ų37.145%0.45423%0.233SC..THydrogen-bonded Turntrans73.816.6176.900000115.5A464 I465 L466 V470A464-G468 PolarHBondContact O-N 3.05Å; I465-G468 PolarHBondContact O-N 3.45Å; L466-G468 VanDerWaalsContact C-N 3.28Å; L466-G468 PolarHBondContact O-N 3.27Å; G468-V470 VanDerWaalsContact C-N 3.32Å
469K97.3Very high96.8Very high119 Ų11938 Ų3852%0.51724%0.236SC..  trans-73.1-27.6171.5-64.8175.6-174.2157.90111.7E463 A464 G467E463-K469 IonicContact OE1-NZ 3.29Å; E463-K469 PolarHBondContact OE1-NZ 3.29Å; A464-K469 HydrophobicContact CB-CB 3.98Å; A464-K469 HydrophobicContact CB-CD 4.11Å; A464-K469 PolarHBondContact O-N 3.36Å; G467-K469 VanDerWaalsContact C-N 3.33Å; G467-K469 PolarHBondContact O-N 3.22Å
470V98Very high97Very high3 Ų333.9 Ų33.92%0.01821%0.214CC..SBendtrans-89.7130.2171.1178.50000109.2Y455 A464 I465 G468 D474 V476 L499 L504Y455-V470 HydrophobicContact CE2-CG2 4.28Å; A464-V470 HydrophobicContact CB-CG2 4.21Å; A464-V470 PolarHBondContact O-N 3.49Å; I465-V470 HydrophobicContact CG1-CB 4.19Å; I465-V470 HydrophobicContact CG1-CG2 3.87Å; G468-V470 VanDerWaalsContact C-N 3.32Å; V470-D474 HydrophobicContact CG1-CB 4.17Å; V470-V476 HydrophobicContact CB-CG2 4.31Å; V470-V476 HydrophobicContact CG1-CG2 3.52Å; V470-V476 HydrophobicContact CG2-CG2 3.74Å; V470-L499 HydrophobicContact CG1-CD2 4.06Å; V470-L504 HydrophobicContact CG1-CD1 4.35Å
471V97.2Very high97.1Very high77 Ų7730.6 Ų30.647%0.46720%0.197SC..  trans-128.5165.2-178.8-61.80000111.7G473 D474 C508V471-G473 PolarHBondContact O-N 2.79Å; V471-D474 PolarHBondContact N-OD2 3.04Å; V471-D474 WeakPolarHBondContact O-CB 3.12Å; V471-D474 PolarHBondContact O-N 2.63Å; V471-D474 VanDerWaalsContact O-N 3.09Å; V471-C508 PolarHBondContact O-SG 3.39Å
472A97.2Very high97.2Very high69 Ų6930.6 Ų30.657%0.5720%0.197SC*.THydrogen-bonded Turntrans-53.4129.717700000111.6L504 A507A472-L504 HydrophobicContact CB-CD2 4.19Å; A472-A507 HydrophobicContact CB-CB 3.81Å
473G97.3Very high97.3Very high28 Ų2829.6 Ų29.629%0.28919%0.191SC..THydrogen-bonded Turntrans101.1-16.2-175.700000114.2G450 V471 A507G450-G473 VanDerWaalsContact CA-O 3.29Å; G450-G473 WeakPolarHBondContact CA-O 3.31Å; V471-G473 PolarHBondContact O-N 2.79Å; G473-A507 WeakPolarHBondContact CA-O 3.41Å; G473-A507 PolarHBondContact N-O 2.85Å
474D98.4Very high97.4Very high8 Ų827.4 Ų27.44%0.04318%0.179CC..  trans-71.4148.9-178.4-73.3-22000112.8K453 V470 V471 C508 A509K453-D474 VanDerWaalsContact CE-OD2 3.25Å; K453-D474 WeakPolarHBondContact CE-OD2 3.39Å; K453-D474 HydrophobicContact CG-CB 3.94Å; K453-D474 WeakPolarHBondContact CG-OD2 3.3Å; V470-D474 HydrophobicContact CG1-CB 4.17Å; V471-D474 PolarHBondContact N-OD2 3.04Å; V471-D474 WeakPolarHBondContact O-CB 3.12Å; V471-D474 PolarHBondContact O-N 2.63Å; V471-D474 VanDerWaalsContact O-N 3.09Å; D474-C508 VanDerWaalsContact O-CA 3.31Å; D474-C508 WeakPolarHBondContact O-CA 3.49Å; D474-C508 WeakPolarHBondContact O-CB 3.37Å; D474-A509 PolarHBondContact O-N 3.28Å; D474-A509 VanDerWaalsContact O-N 3.1Å
475V98.6Very high97.4Very high0 Ų027.7 Ų27.70%018%0.182CC..EExtended strand (participates in β ladder)trans-106.4103.2165.8-179.10000108.2F448 P451 A452 K453 V477 A509 I511 I547F448-V475 HydrophobicContact CD1-CG2 3.91Å; F448-V475 HydrophobicContact CE1-CG2 3.63Å; P451-V475 PolarHBondContact O-N 3.22Å; A452-V475 CarbonylContact C-O 3.55Å; A452-V475 VanDerWaalsContact CA-O 3.3Å; A452-V475 WeakPolarHBondContact CA-O 3.42Å; K453-V475 PolarHBondContact N-O 3.34Å; V475-V477 HydrophobicContact CG1-CG2 4.3Å; V475-V477 PolarHBondContact O-N 2.89Å; V475-A509 HydrophobicContact CG1-CB 4.23Å; V475-A509 HydrophobicContact CG2-CB 4.21Å; V475-I511 HydrophobicContact CG1-CD1 3.47Å; V475-I511 VanDerWaalsContact CG1-CD1 3.47Å; V475-I511 HydrophobicContact CG1-CG1 4.14Å; V475-I547 HydrophobicContact CB-CB 4.47Å; V475-I547 HydrophobicContact CB-CD1 4.38Å; V475-I547 HydrophobicContact CG1-CB 4.16Å; V475-I547 HydrophobicContact CG1-CD1 3.77Å; V475-I547 HydrophobicContact CG1-CG2 4.31Å; V475-I547 HydrophobicContact CG2-CB 4.31Å
476V98.5Very high97.4Very high0 Ų027.6 Ų27.60%018%0.182CC..EExtended strand (participates in β ladder)trans-79.7116.6179.8177.90000109.4Y455 A461 V470 I478 A509 L510 I511Y455-V476 HydrophobicContact CD2-CG1 3.79Å; Y455-V476 HydrophobicContact CE2-CG1 3.85Å; A461-V476 HydrophobicContact CB-CG1 4.44Å; V470-V476 HydrophobicContact CB-CG2 4.31Å; V470-V476 HydrophobicContact CG1-CG2 3.52Å; V470-V476 HydrophobicContact CG2-CG2 3.74Å; V476-I478 HydrophobicContact CG1-CG1 4.15Å; V476-A509 PolarHBondContact N-O 3.3Å; V476-L510 HydrophobicContact CB-CD2 3.6Å; V476-L510 HydrophobicContact CB-CG 4.42Å; V476-L510 HydrophobicContact CG1-CD2 3.54Å; V476-L510 CarbonylContact O-C 3.49Å; V476-L510 WeakPolarHBondContact O-CA 3.5Å; V476-I511 PolarHBondContact O-N 2.77Å
477V98.6Very high97.5Very high0 Ų024.3 Ų24.30%017%0.165CC..EExtended strand (participates in β ladder)trans-106.9118.4179.4-179.30000109A452 K453 V454 Y455 V475 I511 I538 I541 I547A452-V477 HydrophobicContact CB-CG2 4.33Å; K453-V477 PolarHBondContact O-N 3.18Å; V454-V477 WeakPolarHBondContact CA-O 3.48Å; V454-V477 HydrophobicContact CG2-CB 4.4Å; Y455-V477 PolarHBondContact N-O 2.9Å; V475-V477 HydrophobicContact CG1-CG2 4.3Å; V475-V477 PolarHBondContact O-N 2.89Å; V477-I511 CarbonylContact C-O 2.92Å; V477-I511 WeakPolarHBondContact CA-O 3.47Å; V477-I511 HydrophobicContact CG2-CB 4.37Å; V477-I538 HydrophobicContact CG1-CD1 4.31Å; V477-I538 HydrophobicContact CG1-CG1 4.12Å; V477-I541 HydrophobicContact CG1-CD1 4.15Å; V477-I541 HydrophobicContact CG2-CD1 4.39Å; V477-I541 HydrophobicContact CG2-CG2 4.36Å; V477-I547 HydrophobicContact CG2-CD1 3.64Å
478I98.1Very high97.5Very high0 Ų021.5 Ų21.50%014%0.136CC..EExtended strand (participates in β ladder)trans-111.5104176.8-46.7177.1000107.9Y455 A461 V476 E481 M492 P495 L510 I511 T512Y455-I478 WeakPolarHBondContact O-CA 3.28Å; A461-I478 HydrophobicContact CB-CD1 3.59Å; A461-I478 HydrophobicContact CB-CG1 3.78Å; V476-I478 HydrophobicContact CG1-CG1 4.15Å; I478-E481 HydrophobicContact CG2-CG 3.83Å; I478-M492 HydrophobicContact CB-CE 4.46Å; I478-M492 HydrophobicContact CB-SD 4.47Å; I478-M492 HydrophobicContact CD1-SD 3.96Å; I478-M492 HydrophobicContact CG2-CE 4.41Å; I478-M492 HydrophobicContact CG2-SD 3.98Å; I478-P495 HydrophobicContact CD1-CB 4Å; I478-P495 HydrophobicContact CD1-CG 3.79Å; I478-L510 HydrophobicContact CD1-CD2 4.11Å; I478-I511 PolarHBondContact N-O 3.15Å; I478-T512 WeakPolarHBondContact O-CA 3.4Å; I478-T512 WeakPolarHBondContact O-CB 3.28Å; I478-T512 PolarHBondContact O-OG1 3.44Å
479R98Very high97.6Very high21 Ų2119.4 Ų19.48%0.07911%0.114CC..  trans-109.3166.7-175.463.6170.8-172.3-154.83.1112.6V454 Y455 E456 E481 D513 A532 I538 G539 I541V454-R479 HydrophobicContact CG1-CG 4.35Å; Y455-R479 PolarHBondContact O-N 3.24Å; E456-R479 CarbonylContact C-O 3.42Å; E456-R479 WeakPolarHBondContact CA-O 3.44Å; E456-R479 HydrophobicContact CG-CG 4.38Å; E456-R479 IonicContact OE1-CZ 3.94Å; E456-R479 IonicContact OE1-NE 2.87Å; E456-R479 IonicContact OE1-NH2 3.43Å; E456-R479 PolarHBondContact OE1-NH2 2.93Å; R479-E481 PolarHBondContact O-N 2.93Å; R479-D513 WeakPolarHBondContact CA-OD1 3.22Å; R479-A532 HydrophobicContact CB-CB 4.2Å; R479-I538 HydrophobicContact CB-CG1 4.39Å; R479-G539 PolarHBondContact NH1-O 2.82Å; R479-I541 PolarHBondContact NH1-O 3.21Å
480Y97.8Very high97.5Very high0 Ų014 Ų140%09%0.091CC..SBendtrans62.531-173.1-53-72.8000112.6E456 G485 G486 D513 A532 A533 Q572 W580 P582 R585E456-Y480 HydrophobicContact CB-CD2 4.14Å; E456-Y480 HydrophobicContact CG-CD2 4.03Å; E456-Y480 HydrophobicContact CG-CE2 4.2Å; Y480-G485 CarbonylContact O-C 3.59Å; Y480-G486 WeakPolarHBondContact O-CA 3.33Å; Y480-G486 PolarHBondContact O-N 3.28Å; Y480-G486 VanDerWaalsContact O-N 3.15Å; Y480-D513 PolarHBondContact N-OD1 3.41Å; Y480-D513 VanDerWaalsContact N-OD1 3.14Å; Y480-D513 PolarHBondContact N-OD2 3.4Å; Y480-A532 HydrophobicContact CD1-CB 3.53Å; Y480-A532 HydrophobicContact CE1-CB 3.51Å; Y480-A532 HydrophobicContact CG-CB 4.06Å; Y480-A533 HydrophobicContact CD1-CB 4.33Å; Y480-Q572 PolarHBondContact OH-NE2 3.45Å; Y480-Q572 VanDerWaalsContact OH-NE2 3.17Å; Y480-W580 VanDerWaalsContact CE1-C 3.48Å; Y480-W580 VanDerWaalsContact CE1-O 3.3Å; Y480-W580 WeakPolarHBondContact CE1-O 3.37Å; Y480-P582 HydrophobicContact CD1-CG 4.4Å; Y480-P582 HydrophobicContact CD2-CB 4.28Å; Y480-P582 HydrophobicContact CD2-CG 3.86Å; Y480-P582 HydrophobicContact CG-CG 3.77Å; Y480-R585 PolarHBondContact O-NH1 3.23Å
481E97.8Very high97.2Very high0 Ų013.9 Ų13.90%09%0.09CC..  trans-112.59.3173-65.3-66-169.200112.3S457 Q458 I478 R479 M489 Q490 M492 D513 G514 R587S457-E481 VanDerWaalsContact CA-OE1 3.26Å; S457-E481 WeakPolarHBondContact CA-OE1 3.3Å; Q458-E481 PolarHBondContact N-OE1 2.89Å; Q458-E481 VanDerWaalsContact N-OE1 3.09Å; I478-E481 HydrophobicContact CG2-CG 3.83Å; R479-E481 PolarHBondContact O-N 2.93Å; E481-M489 WeakPolarHBondContact O-CA 3.29Å; E481-Q490 PolarHBondContact O-N 3.44Å; E481-Q490 PolarHBondContact OE1-NE2 3.38Å; E481-Q490 PolarHBondContact OE2-NE2 2.95Å; E481-M492 HydrophobicContact CB-CE 4.22Å; E481-M492 HydrophobicContact CG-SD 4.34Å; E481-D513 PolarHBondContact N-OD1 2.94Å; E481-G514 WeakPolarHBondContact O-CA 3.45Å; E481-R587 IonicContact OE1-CZ 3.64Å; E481-R587 IonicContact OE1-NH1 3.59Å; E481-R587 PolarHBondContact OE1-NH1 3.17Å; E481-R587 IonicContact OE1-NH2 3.66Å; E481-R587 PolarHBondContact OE1-NH2 2.89Å; E481-R587 IonicContact OE2-CZ 3.04Å; E481-R587 IonicContact OE2-NH1 2.88Å; E481-R587 PolarHBondContact OE2-NH1 2.55Å; E481-R587 IonicContact OE2-NH2 3.49Å
482G98.1Very high97Very high0 Ų010.2 Ų10.20%07%0.068CC..SBendtrans-69.5-175.8174.700000115.1K484 G485 G486 M489 D513 E531G482-K484 VanDerWaalsContact C-N 3.31Å; G482-K484 PolarHBondContact O-N 2.91Å; G482-G485 PolarHBondContact O-N 3.44Å; G482-G486 PolarHBondContact O-N 3.2Å; G482-M489 WeakPolarHBondContact O-CA 3.33Å; G482-M489 PolarHBondContact O-N 2.81Å; G482-D513 VanDerWaalsContact CA-O 3.24Å; G482-D513 WeakPolarHBondContact CA-O 3.33Å; G482-D513 PolarHBondContact N-OD1 3.4Å; G482-E531 WeakPolarHBondContact CA-OE2 3.2Å
483P98.3Very high96.6Very high1 Ų17.1 Ų7.11%0.0064%0.042CC..THydrogen-bonded Turntrans-52.3-44-177.7-27.335000114.2P487 G488 M489 E531 Y596 A600 A607P483-P487 WeakPolarHBondContact O-CA 3.39Å; P483-P487 WeakPolarHBondContact O-CB 3.26Å; P483-G488 PolarHBondContact O-N 3.5Å; P483-M489 HydrophobicContact CB-CB 4.47Å; P483-M489 HydrophobicContact CG-CB 4.12Å; P483-M489 HydrophobicContact CG-CG 4Å; P483-M489 HydrophobicContact CG-SD 3.85Å; P483-E531 WeakPolarHBondContact CD-OE1 3.35Å; P483-Y596 HydrophobicContact CB-CE1 4.4Å; P483-Y596 WeakPolarHBondContact O-CE1 3.5Å; P483-A600 HydrophobicContact CB-CB 3.76Å; P483-A607 HydrophobicContact CB-CB 4.22Å; P483-A607 HydrophobicContact CG-CB 3.79Å
484K97.6Very high96.4Very high69 Ų699.2 Ų9.230%0.34%0.041SC..THydrogen-bonded Turntrans-93.7-36.1178.7-55.1-175.5-169.7151.10112.3G482 P487 E531 A533 S534 A597 A600G482-K484 VanDerWaalsContact C-N 3.31Å; G482-K484 PolarHBondContact O-N 2.91Å; K484-P487 WeakPolarHBondContact O-CB 3.39Å; K484-E531 WeakPolarHBondContact CB-OE1 3.35Å; K484-E531 VanDerWaalsContact CG-OE1 3.32Å; K484-E531 WeakPolarHBondContact CG-OE1 3.38Å; K484-E531 PolarHBondContact N-OE1 3.26Å; K484-E531 PolarHBondContact N-OE2 3.37Å; K484-E531 VanDerWaalsContact N-OE2 3.1Å; K484-A533 HydrophobicContact CB-CB 4.28Å; K484-S534 PolarHBondContact NZ-OG 2.88Å; K484-A597 WeakPolarHBondContact CG-O 3.38Å; K484-A600 WeakPolarHBondContact CE-O 3.5Å
485G96.6Very high96.2Very high7 Ų78.8 Ų8.87%0.0724%0.039CC..THydrogen-bonded Turntrans-67.6-41.9-175.500000113Y480 G482 E531 R585Y480-G485 CarbonylContact O-C 3.59Å; G482-G485 PolarHBondContact O-N 3.44Å; G485-E531 PolarHBondContact N-OE2 2.9Å; G485-R585 PolarHBondContact O-NH2 2.82Å
486G96.2Very high95.8Very high0 Ų08.9 Ų8.90%04%0.04CC..THydrogen-bonded Turntrans-53.2-59.417900000111.7Y480 G482 R585 R587Y480-G486 WeakPolarHBondContact O-CA 3.33Å; Y480-G486 PolarHBondContact O-N 3.28Å; Y480-G486 VanDerWaalsContact O-N 3.15Å; G482-G486 PolarHBondContact O-N 3.2Å; G486-R585 PolarHBondContact O-NH2 3.21Å; G486-R587 WeakPolarHBondContact O-CD 3.42Å; G486-R587 PolarHBondContact O-NH1 2.72Å
487P95.9Very high95.5Very high5 Ų58.9 Ų8.93%0.0324%0.04CC..THydrogen-bonded Turncis-70.6170.7-16.932.6-39.5000112.6P483 K484 V589 L593 A597P483-P487 WeakPolarHBondContact O-CA 3.39Å; P483-P487 WeakPolarHBondContact O-CB 3.26Å; K484-P487 WeakPolarHBondContact O-CB 3.39Å; P487-V589 HydrophobicContact CG-CG1 3.58Å; P487-L593 HydrophobicContact CG-CB 3.81Å; P487-A597 HydrophobicContact CB-CB 3.64Å; P487-A597 HydrophobicContact CG-CB 4.42Å
488G97Very high95.2Very high0 Ų09.9 Ų9.90%04%0.044CC..SBendtrans96.97.4179.700000114.1L94 P483 Q490L94-G488 VanDerWaalsContact CB-O 3.31Å; L94-G488 WeakPolarHBondContact CB-O 3.32Å; P483-G488 PolarHBondContact O-N 3.5Å; G488-Q490 PolarHBondContact O-N 3Å
489M97.6Very high94.9Very high0 Ų010.2 Ų10.20%05%0.046CC..  trans46.261.6176.7-150.8-171.3175.200111.8L94 L283 E481 G482 P483 D513 G514 R515 H527 A603L94-M489 HydrophobicContact CD2-CB 3.55Å; L94-M489 HydrophobicContact CD2-CG 4.43Å; L94-M489 HydrophobicContact CD2-SD 4.13Å; L283-M489 HydrophobicContact CD1-SD 4.18Å; L283-M489 HydrophobicContact CD2-SD 4.14Å; E481-M489 WeakPolarHBondContact O-CA 3.29Å; G482-M489 WeakPolarHBondContact O-CA 3.33Å; G482-M489 PolarHBondContact O-N 2.81Å; P483-M489 HydrophobicContact CB-CB 4.47Å; P483-M489 HydrophobicContact CG-CB 4.12Å; P483-M489 HydrophobicContact CG-CG 4Å; P483-M489 HydrophobicContact CG-SD 3.85Å; M489-D513 WeakPolarHBondContact CE-O 3.42Å; M489-G514 WeakPolarHBondContact CE-O 3.46Å; M489-R515 HydrophobicContact CE-CG 3.56Å; M489-R515 HydrophobicContact CG-CG 3.78Å; M489-R515 VanDerWaalsContact O-CZ 3.26Å; M489-R515 PolarHBondContact O-NE 3.43Å; M489-R515 PolarHBondContact O-NH2 3.5Å; M489-R515 HydrophobicContact SD-CG 3.67Å; M489-H527 HydrophobicContact CE-CB 4.11Å; M489-H527 VanDerWaalsContact CE-CD2 3.44Å; M489-H527 WeakPolarHBondContact CE-CD2 3.37Å; M489-A603 HydrophobicContact CE-CB 3.34Å; M489-A603 HydrophobicContact SD-CB 3.97Å
490Q94Very high94.6Very high6 Ų611.6 Ų11.63%0.0285%0.052CC..  trans-59.7144.9-164.976.8167.6-59.300112.1M90 L91 E481 G488 M492 R515 R587M90-Q490 HydrophobicContact CB-CB 4.48Å; M90-Q490 HydrophobicContact CG-CB 3.86Å; L91-Q490 HydrophobicContact CD2-CB 4.17Å; E481-Q490 PolarHBondContact O-N 3.44Å; E481-Q490 PolarHBondContact OE1-NE2 3.38Å; E481-Q490 PolarHBondContact OE2-NE2 2.95Å; G488-Q490 PolarHBondContact O-N 3Å; Q490-M492 HydrophobicContact CG-CG 4.01Å; Q490-R515 PolarHBondContact O-N 2.8Å; Q490-R587 VanDerWaalsContact NE2-NH2 3.19Å
491E91.6Very high94.2Very high1 Ų112 Ų121%0.0056%0.056CC..EExtended strand (participates in β ladder)trans-85118.9175.6-166.1164.8151.600109.7M85 M90 K124 N280 R515 S517M85-E491 HydrophobicContact CE-CG 4.5Å; M90-E491 HydrophobicContact CE-CB 4.39Å; M90-E491 HydrophobicContact CG-CB 4.42Å; M90-E491 WeakPolarHBondContact CG-O 3.47Å; M90-E491 HydrophobicContact SD-CB 3.73Å; K124-E491 IonicContact NZ-OE2 3.6Å; K124-E491 PolarHBondContact NZ-OE2 2.96Å; N280-E491 VanDerWaalsContact ND2-CD 3.3Å; N280-E491 PolarHBondContact ND2-OE1 2.87Å; N280-E491 PolarHBondContact ND2-OE2 2.83Å; E491-R515 IonicContact OE2-CZ 3.62Å; E491-R515 IonicContact OE2-NH1 3.58Å; E491-R515 PolarHBondContact OE2-NH1 2.87Å; E491-R515 IonicContact OE2-NH2 2.67Å; E491-S517 WeakPolarHBondContact OE1-CA 3.39Å; E491-S517 WeakPolarHBondContact OE1-CB 3.49Å; E491-S517 PolarHBondContact OE1-OG 2.9Å
492M92.8Very high93.9Very high0 Ų015.5 Ų15.50%07%0.073CC..EExtended strand (participates in β ladder)trans-104.2114.6-177.6-60-177.4-82.100110.1Q458 I478 E481 Q490 P495 T512 R515 F516 S517Q458-M492 HydrophobicContact CB-CG 4.22Å; Q458-M492 HydrophobicContact CB-SD 3.84Å; Q458-M492 HydrophobicContact CG-CG 4.08Å; Q458-M492 HydrophobicContact CG-SD 4.07Å; Q458-M492 VanDerWaalsContact OE1-CA 3.26Å; Q458-M492 VanDerWaalsContact OE1-CB 3.26Å; Q458-M492 VanDerWaalsContact OE1-CG 3.23Å; I478-M492 HydrophobicContact CB-CE 4.46Å; I478-M492 HydrophobicContact CB-SD 4.47Å; I478-M492 HydrophobicContact CD1-SD 3.96Å; I478-M492 HydrophobicContact CG2-CE 4.41Å; I478-M492 HydrophobicContact CG2-SD 3.98Å; E481-M492 HydrophobicContact CB-CE 4.22Å; E481-M492 HydrophobicContact CG-SD 4.34Å; Q490-M492 HydrophobicContact CG-CG 4.01Å; M492-P495 HydrophobicContact CB-CG 4.28Å; M492-T512 HydrophobicContact CE-CG2 3.47Å; M492-T512 VanDerWaalsContact CE-CG2 3.47Å; M492-T512 WeakPolarHBondContact CE-OG1 3.23Å; M492-R515 PolarHBondContact N-O 3.08Å; M492-F516 HydrophobicContact CB-CD1 4.08Å; M492-F516 HydrophobicContact CB-CE1 4.19Å; M492-F516 HydrophobicContact CE-CE1 4.18Å; M492-F516 WeakPolarHBondContact O-CA 3.39Å; M492-F516 WeakPolarHBondContact O-CD1 3.38Å; M492-S517 PolarHBondContact O-N 3.38Å
493L89.7Confident93.5Very high4 Ų418.6 Ų18.62%0.02111%0.105CC..  trans-106.6-32.6169.6-176.954.8000111M85 V165 M168 T496 S497M85-L493 HydrophobicContact CE-CB 3.73Å; M85-L493 HydrophobicContact CE-CD2 4.25Å; M85-L493 HydrophobicContact CG-CB 4.06Å; M85-L493 HydrophobicContact SD-CB 3.53Å; M85-L493 VanDerWaalsContact SD-CB 3.53Å; M85-L493 PolarHBondContact SD-N 2.87Å; V165-L493 HydrophobicContact CG2-CD1 4.48Å; V165-L493 HydrophobicContact CG2-CD2 4.28Å; M168-L493 HydrophobicContact CE-CB 4.02Å; M168-L493 HydrophobicContact CE-CD2 3.43Å; M168-L493 VanDerWaalsContact CE-CD2 3.43Å; M168-L493 HydrophobicContact CE-CG 3.49Å; M168-L493 VanDerWaalsContact CE-CG 3.49Å; M168-L493 HydrophobicContact SD-CD2 3.38Å; M168-L493 WeakPolarHBondContact SD-CD2 3.23Å; M168-L493 HydrophobicContact SD-CG 4.13Å; L493-T496 PolarHBondContact O-N 2.74Å; L493-T496 VanDerWaalsContact O-N 3.15Å; L493-T496 PolarHBondContact O-OG1 3.24Å; L493-S497 PolarHBondContact O-N 3.35Å; L493-S497 PolarHBondContact O-OG 3.22Å
494Y92.6Very high93.3Very high71 Ų7119.7 Ų19.728%0.27811%0.11SC..Hα-helixtrans-60.4-49.9-173.2-80.326000113.5M85 M168 T496 S497 F498M85-Y494 HydrophobicContact CB-CE1 4.04Å; M85-Y494 HydrophobicContact CG-CD1 3.63Å; M85-Y494 HydrophobicContact CG-CE1 3.42Å; M85-Y494 VanDerWaalsContact CG-CE1 3.42Å; M85-Y494 PolarHBondContact O-OH 2.96Å; M168-Y494 HydrophobicContact CE-CD1 3.28Å; M168-Y494 HydrophobicContact CE-CE1 3.24Å; M168-Y494 HydrophobicContact SD-CE1 4.48Å; Y494-T496 PolarHBondContact O-N 3.01Å; Y494-S497 PolarHBondContact O-N 3.01Å; Y494-F498 HydrophobicContact CD1-CZ 4.41Å; Y494-F498 AromaticContact CD2-CE2 3.64Å; Y494-F498 HydrophobicContact CD2-CE2 3.64Å; Y494-F498 AromaticContact CD2-CZ 3.57Å; Y494-F498 HydrophobicContact CD2-CZ 3.57Å; Y494-F498 HydrophobicContact CE2-CZ 4.1Å; Y494-F498 AromaticContact CG-CE2 3.84Å; Y494-F498 HydrophobicContact CG-CE2 3.84Å; Y494-F498 AromaticContact CG-CZ 3.73Å; Y494-F498 HydrophobicContact CG-CZ 3.73Å; Y494-F498 VanDerWaalsContact O-CB 3.31Å; Y494-F498 WeakPolarHBondContact O-CB 3.49Å; Y494-F498 WeakPolarHBondContact O-CD2 3.06Å; Y494-F498 WeakPolarHBondContact O-CG 3.21Å; Y494-F498 PolarHBondContact O-N 3.33Å
495P94.2Very high92.8Very high0 Ų017.1 Ų17.10%010%0.103CC..Hα-helixtrans-54.8-40.4176.2-25.433.3000112.6Q458 V462 I465 I478 M492 L499 L510Q458-P495 HydrophobicContact CG-CG 3.7Å; V462-P495 HydrophobicContact CG2-CG 4.05Å; I465-P495 HydrophobicContact CD1-CB 4Å; I478-P495 HydrophobicContact CD1-CB 4Å; I478-P495 HydrophobicContact CD1-CG 3.79Å; M492-P495 HydrophobicContact CB-CG 4.28Å; P495-L499 WeakPolarHBondContact O-CG 3.27Å; P495-L499 PolarHBondContact O-N 3.04Å; P495-L510 HydrophobicContact CB-CD1 4.11Å; P495-L510 HydrophobicContact CB-CD2 4.14Å
496T91.5Very high92.6Very high2 Ų223.2 Ų23.21%0.01213%0.127CC..Hα-helixtrans-73-42.4-177.569.50000112.1L493 Y494 K500 L510 F516 T520L493-T496 PolarHBondContact O-N 2.74Å; L493-T496 VanDerWaalsContact O-N 3.15Å; L493-T496 PolarHBondContact O-OG1 3.24Å; Y494-T496 PolarHBondContact O-N 3.01Å; T496-K500 PolarHBondContact O-N 3.24Å; T496-L510 HydrophobicContact CG2-CD1 3.47Å; T496-L510 VanDerWaalsContact CG2-CD1 3.47Å; T496-F516 HydrophobicContact CG2-CD1 3.44Å; T496-F516 VanDerWaalsContact CG2-CD1 3.44Å; T496-F516 HydrophobicContact CG2-CE1 3.86Å; T496-F516 HydrophobicContact CG2-CG 4.08Å; T496-T520 HydrophobicContact CG2-CG2 3.49Å; T496-T520 VanDerWaalsContact CG2-CG2 3.49Å; T496-T520 PolarHBondContact OG1-OG1 2.79Å; T496-T520 VanDerWaalsContact OG1-OG1 3.06Å
497S90.5Very high92.5Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-66.7-42.4176.6-64.90000111.2L493 Y494 K500 S501L493-S497 PolarHBondContact O-N 3.35Å; L493-S497 PolarHBondContact O-OG 3.22Å; Y494-S497 PolarHBondContact O-N 3.01Å; S497-K500 WeakPolarHBondContact O-CA 3.26Å; S497-K500 WeakPolarHBondContact O-CB 3.48Å; S497-K500 PolarHBondContact O-N 3.38Å; S497-S501 PolarHBondContact O-N 3.37Å; S497-S501 PolarHBondContact O-OG 3.39Å; S497-S501 VanDerWaalsContact O-OG 3.12Å
498F92.9Very high92.5Very high21 Ų2124.4 Ų24.49%0.09214%0.138CC..Hα-helixtrans-72.9-32.6-177.3-60.2-17.5000112.7A172 V462 I465 L466 Y494 K500 S501 M502A172-F498 HydrophobicContact CB-CD1 3.46Å; A172-F498 VanDerWaalsContact CB-CD1 3.46Å; A172-F498 HydrophobicContact CB-CE1 3.43Å; A172-F498 VanDerWaalsContact CB-CE1 3.43Å; A172-F498 HydrophobicContact CB-CZ 4.44Å; V462-F498 HydrophobicContact CB-CD2 4.31Å; V462-F498 HydrophobicContact CB-CE2 4.45Å; V462-F498 HydrophobicContact CG1-CD2 3.68Å; V462-F498 HydrophobicContact CG1-CE2 3.56Å; V462-F498 HydrophobicContact CG2-CD2 3.94Å; V462-F498 HydrophobicContact CG2-CE2 4.06Å; I465-F498 HydrophobicContact CG2-CB 3.97Å; L466-F498 HydrophobicContact CD1-CD2 3.84Å; L466-F498 HydrophobicContact CD1-CE2 4Å; L466-F498 HydrophobicContact CD1-CG 4.42Å; L466-F498 HydrophobicContact CD2-CB 3.85Å; L466-F498 HydrophobicContact CD2-CD2 4.15Å; L466-F498 HydrophobicContact CD2-CG 3.94Å; L466-F498 HydrophobicContact CG-CB 4.33Å; L466-F498 HydrophobicContact CG-CD2 4.01Å; L466-F498 HydrophobicContact CG-CG 4.29Å; Y494-F498 HydrophobicContact CD1-CZ 4.41Å; Y494-F498 AromaticContact CD2-CE2 3.64Å; Y494-F498 HydrophobicContact CD2-CE2 3.64Å; Y494-F498 AromaticContact CD2-CZ 3.57Å; Y494-F498 HydrophobicContact CD2-CZ 3.57Å; Y494-F498 HydrophobicContact CE2-CZ 4.1Å; Y494-F498 AromaticContact CG-CE2 3.84Å; Y494-F498 HydrophobicContact CG-CE2 3.84Å; Y494-F498 AromaticContact CG-CZ 3.73Å; Y494-F498 HydrophobicContact CG-CZ 3.73Å; Y494-F498 VanDerWaalsContact O-CB 3.31Å; Y494-F498 WeakPolarHBondContact O-CB 3.49Å; Y494-F498 WeakPolarHBondContact O-CD2 3.06Å; Y494-F498 WeakPolarHBondContact O-CG 3.21Å; Y494-F498 PolarHBondContact O-N 3.33Å; F498-K500 PolarHBondContact O-N 3.43Å; F498-S501 PolarHBondContact O-N 2.99Å; F498-M502 WeakPolarHBondContact O-CB 3.46Å; F498-M502 VanDerWaalsContact O-CG 3.24Å; F498-M502 WeakPolarHBondContact O-CG 3.07Å; F498-M502 PolarHBondContact O-N 3Å
499L92.6Very high92.6Very high6 Ų624.4 Ų24.43%0.03114%0.138CC..Hα-helixtrans-57.8-40.4166.9-79.5179.8000111.3I465 V470 P495 M502 G503 L504 G505 C508 L510I465-L499 HydrophobicContact CD1-CD2 4.18Å; I465-L499 HydrophobicContact CD1-CG 3.98Å; I465-L499 HydrophobicContact CG1-CD2 3.94Å; I465-L499 HydrophobicContact CG1-CG 4.3Å; I465-L499 HydrophobicContact CG2-CD2 3.94Å; I465-L499 HydrophobicContact CG2-CG 4.27Å; V470-L499 HydrophobicContact CG1-CD2 4.06Å; P495-L499 WeakPolarHBondContact O-CG 3.27Å; P495-L499 PolarHBondContact O-N 3.04Å; L499-M502 PolarHBondContact O-N 2.88Å; L499-G503 PolarHBondContact O-N 2.93Å; L499-L504 HydrophobicContact CB-CB 4.39Å; L499-L504 HydrophobicContact CD2-CB 3.73Å; L499-L504 HydrophobicContact CD2-CD1 3.96Å; L499-L504 CarbonylContact O-C 3.59Å; L499-L504 WeakPolarHBondContact O-CA 3.47Å; L499-L504 WeakPolarHBondContact O-CB 3.38Å; L499-L504 PolarHBondContact O-N 3.38Å; L499-G505 PolarHBondContact O-N 3.26Å; L499-G505 VanDerWaalsContact O-N 3.15Å; L499-C508 HydrophobicContact CD1-CB 4.17Å; L499-C508 HydrophobicContact CD2-CB 4.19Å; L499-L510 HydrophobicContact CD1-CD1 3.46Å; L499-L510 VanDerWaalsContact CD1-CD1 3.46Å; L499-L510 HydrophobicContact CD1-CD2 4.27Å; L499-L510 HydrophobicContact CD1-CG 3.59Å; L499-L510 HydrophobicContact CG-CD1 4.45Å
500K90.4Very high92.6Very high50 Ų5024.5 Ų24.522%0.21714%0.138CC..Hα-helixtrans-67.5-46.4175.9-66.6172.5-177.6172.60112I169 T496 S497 F498 M502 G503 S521I169-K500 HydrophobicContact CD1-CD 3.77Å; T496-K500 PolarHBondContact O-N 3.24Å; S497-K500 WeakPolarHBondContact O-CA 3.26Å; S497-K500 WeakPolarHBondContact O-CB 3.48Å; S497-K500 PolarHBondContact O-N 3.38Å; F498-K500 PolarHBondContact O-N 3.43Å; K500-M502 PolarHBondContact O-N 3.42Å; K500-G503 PolarHBondContact O-N 3.48Å; K500-S521 WeakPolarHBondContact CE-O 3.41Å; K500-S521 WeakPolarHBondContact CE-OG 3.48Å; K500-S521 PolarHBondContact NZ-OG 2.96Å
501S89.6Confident92.8Very high10 Ų1024.2 Ų24.27%0.0714%0.137CC..Hα-helixtrans-57.2-35.7177.3-55.80000111.8I169 S497 F498 G503I169-S501 PolarHBondContact O-OG 3.17Å; S497-S501 PolarHBondContact O-N 3.37Å; S497-S501 PolarHBondContact O-OG 3.39Å; S497-S501 VanDerWaalsContact O-OG 3.12Å; F498-S501 PolarHBondContact O-N 2.99Å; S501-G503 VanDerWaalsContact C-N 3.29Å; S501-G503 PolarHBondContact O-N 2.88Å
502M91.3Very high93.1Very high73 Ų7324.1 Ų24.136%0.3614%0.136SC..THydrogen-bonded Turntrans-84.34.2176.6-61-56.7-73.800114.1I465 L466 F498 L499 K500 L504I465-M502 HydrophobicContact CG2-CG 4.24Å; L466-M502 HydrophobicContact CD2-CG 4.35Å; L466-M502 HydrophobicContact CD2-SD 4.38Å; F498-M502 WeakPolarHBondContact O-CB 3.46Å; F498-M502 VanDerWaalsContact O-CG 3.24Å; F498-M502 WeakPolarHBondContact O-CG 3.07Å; F498-M502 PolarHBondContact O-N 3Å; L499-M502 PolarHBondContact O-N 2.88Å; K500-M502 PolarHBondContact O-N 3.42Å; M502-L504 VanDerWaalsContact C-N 3.28Å; M502-L504 HydrophobicContact CB-CD1 4.31Å; M502-L504 HydrophobicContact CB-CG 4.35Å; M502-L504 PolarHBondContact O-N 3.26Å
503G90.7Very high93.4Very high65 Ų6524.2 Ų24.267%0.6714%0.137SC*.THydrogen-bonded Turntrans74.313.7-179.900000115L499 K500 S501L499-G503 PolarHBondContact O-N 2.93Å; K500-G503 PolarHBondContact O-N 3.48Å; S501-G503 VanDerWaalsContact C-N 3.29Å; S501-G503 PolarHBondContact O-N 2.88Å
504L93Very high93.7Very high24 Ų2424 Ų2413%0.12614%0.136CC..  trans-99.3-2.7-176.7-63.4176.9000113.9V470 A472 L499 M502 K506 A507 C508V470-L504 HydrophobicContact CG1-CD1 4.35Å; A472-L504 HydrophobicContact CB-CD2 4.19Å; L499-L504 HydrophobicContact CB-CB 4.39Å; L499-L504 HydrophobicContact CD2-CB 3.73Å; L499-L504 HydrophobicContact CD2-CD1 3.96Å; L499-L504 CarbonylContact O-C 3.59Å; L499-L504 WeakPolarHBondContact O-CA 3.47Å; L499-L504 WeakPolarHBondContact O-CB 3.38Å; L499-L504 PolarHBondContact O-N 3.38Å; M502-L504 VanDerWaalsContact C-N 3.28Å; M502-L504 HydrophobicContact CB-CD1 4.31Å; M502-L504 HydrophobicContact CB-CG 4.35Å; M502-L504 PolarHBondContact O-N 3.26Å; L504-K506 PolarHBondContact O-N 3.13Å; L504-K506 VanDerWaalsContact O-N 3.1Å; L504-A507 PolarHBondContact O-N 3.06Å; L504-C508 PolarHBondContact O-N 3.23Å
505G88.9Confident93.9Very high14 Ų1420.6 Ų20.614%0.14412%0.122CC..THydrogen-bonded Turntrans-60.8-23.1-173.100000116.1L499L499-G505 PolarHBondContact O-N 3.26Å; L499-G505 VanDerWaalsContact O-N 3.15Å
506K90.7Very high93.8Very high135 Ų13520.8 Ų20.859%0.58712%0.123SC*.THydrogen-bonded Turntrans-105.93.9172.3-61.5-171.1-177.4-167.80113.6D442 I445 L504D442-K506 HydrophobicContact CB-CD 4.14Å; D442-K506 HydrophobicContact CB-CG 4.36Å; D442-K506 VanDerWaalsContact OD2-CE 3.26Å; D442-K506 WeakPolarHBondContact OD2-CE 3.48Å; D442-K506 IonicContact OD2-NZ 3.5Å; D442-K506 PolarHBondContact OD2-NZ 3.01Å; I445-K506 WeakPolarHBondContact CG2-O 3.4Å; L504-K506 PolarHBondContact O-N 3.13Å; L504-K506 VanDerWaalsContact O-N 3.1Å
507A94.6Very high93.4Very high28 Ų2821.3 Ų21.323%0.23113%0.127CC..THydrogen-bonded Turntrans-117.9-14.1-17200000113F448 A472 G473 L504F448-A507 WeakPolarHBondContact CE2-O 3.3Å; F448-A507 WeakPolarHBondContact CZ-O 3.36Å; A472-A507 HydrophobicContact CB-CB 3.81Å; G473-A507 WeakPolarHBondContact CA-O 3.41Å; G473-A507 PolarHBondContact N-O 2.85Å; L504-A507 PolarHBondContact O-N 3.06Å
508C96.9Very high92.3Very high3 Ų321.3 Ų21.32%0.0213%0.127CC..  trans-126157.3178.5-58.30000110.5V471 D474 L499 L504V471-C508 PolarHBondContact O-SG 3.39Å; D474-C508 VanDerWaalsContact O-CA 3.31Å; D474-C508 WeakPolarHBondContact O-CA 3.49Å; D474-C508 WeakPolarHBondContact O-CB 3.37Å; L499-C508 HydrophobicContact CD1-CB 4.17Å; L499-C508 HydrophobicContact CD2-CB 4.19Å; L504-C508 PolarHBondContact O-N 3.23Å
509A97.4Very high91Very high0 Ų020.3 Ų20.30%012%0.123CC..EExtended strand (participates in β ladder)trans-107.4152.616800000110.6F448 D474 V475 V476 L523 I549F448-A509 HydrophobicContact CD1-CB 3.91Å; F448-A509 HydrophobicContact CE1-CB 4.03Å; D474-A509 PolarHBondContact O-N 3.28Å; D474-A509 VanDerWaalsContact O-N 3.1Å; V475-A509 HydrophobicContact CG1-CB 4.23Å; V475-A509 HydrophobicContact CG2-CB 4.21Å; V476-A509 PolarHBondContact N-O 3.3Å; A509-L523 WeakPolarHBondContact CA-O 3.29Å; A509-L523 HydrophobicContact CB-CB 4.39Å; A509-L523 HydrophobicContact CB-CD2 3.74Å; A509-L523 HydrophobicContact CB-CG 3.94Å; A509-I549 HydrophobicContact CB-CD1 3.73Å
510L97.7Very high90.2Very high1 Ų120.5 Ų20.51%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-121.4131.3173.4-86.9169000109.8V476 I478 P495 T496 L499 F516 L523 S524 I525V476-L510 HydrophobicContact CB-CD2 3.6Å; V476-L510 HydrophobicContact CB-CG 4.42Å; V476-L510 HydrophobicContact CG1-CD2 3.54Å; V476-L510 CarbonylContact O-C 3.49Å; V476-L510 WeakPolarHBondContact O-CA 3.5Å; I478-L510 HydrophobicContact CD1-CD2 4.11Å; P495-L510 HydrophobicContact CB-CD1 4.11Å; P495-L510 HydrophobicContact CB-CD2 4.14Å; T496-L510 HydrophobicContact CG2-CD1 3.47Å; T496-L510 VanDerWaalsContact CG2-CD1 3.47Å; L499-L510 HydrophobicContact CD1-CD1 3.46Å; L499-L510 VanDerWaalsContact CD1-CD1 3.46Å; L499-L510 HydrophobicContact CD1-CD2 4.27Å; L499-L510 HydrophobicContact CD1-CG 3.59Å; L499-L510 HydrophobicContact CG-CD1 4.45Å; L510-F516 HydrophobicContact CB-CE1 4.26Å; L510-F516 HydrophobicContact CB-CE2 3.93Å; L510-F516 HydrophobicContact CB-CZ 3.59Å; L510-F516 HydrophobicContact CD1-CE1 4.21Å; L510-F516 HydrophobicContact CD1-CZ 4.36Å; L510-F516 HydrophobicContact CD2-CZ 4.27Å; L510-F516 HydrophobicContact CG-CZ 4.31Å; L510-L523 PolarHBondContact N-O 3.31Å; L510-S524 WeakPolarHBondContact O-CA 3.24Å; L510-I525 PolarHBondContact O-N 2.99Å
511I98.2Very high89.6Confident0 Ų019.5 Ų19.50%012%0.124CC..EExtended strand (participates in β ladder)trans-131137.1179.3-66.6172.1000109.3F429 V475 V476 V477 I478 I525 V528 I538 I547 I549 I556F429-I511 HydrophobicContact CE2-CD1 4.47Å; F429-I511 HydrophobicContact CE2-CG2 3.93Å; F429-I511 HydrophobicContact CZ-CD1 4.05Å; V475-I511 HydrophobicContact CG1-CD1 3.47Å; V475-I511 VanDerWaalsContact CG1-CD1 3.47Å; V475-I511 HydrophobicContact CG1-CG1 4.14Å; V476-I511 PolarHBondContact O-N 2.77Å; V477-I511 CarbonylContact C-O 2.92Å; V477-I511 WeakPolarHBondContact CA-O 3.47Å; V477-I511 HydrophobicContact CG2-CB 4.37Å; I478-I511 PolarHBondContact N-O 3.15Å; I511-I525 CarbonylContact C-O 3.6Å; I511-I525 WeakPolarHBondContact CA-O 3.22Å; I511-I525 HydrophobicContact CG1-CB 4.25Å; I511-I525 HydrophobicContact CG1-CD1 4.32Å; I511-V528 HydrophobicContact CG2-CG2 3.88Å; I511-I538 HydrophobicContact CG2-CD1 4.19Å; I511-I547 HydrophobicContact CD1-CD1 4.2Å; I511-I547 HydrophobicContact CD1-CG2 3.82Å; I511-I549 HydrophobicContact CD1-CD1 4.31Å; I511-I556 HydrophobicContact CD1-CD1 3.98Å; I511-I556 HydrophobicContact CG1-CD1 4.44Å
512T98.4Very high89.6Confident0 Ų019.6 Ų19.60%013%0.126CC..EExtended strand (participates in β ladder)trans-153.5152.6175.4-172.20000113.8I478 M492 G514 F516 I525 G526 H527 V528I478-T512 WeakPolarHBondContact O-CA 3.4Å; I478-T512 WeakPolarHBondContact O-CB 3.28Å; I478-T512 PolarHBondContact O-OG1 3.44Å; M492-T512 HydrophobicContact CE-CG2 3.47Å; M492-T512 VanDerWaalsContact CE-CG2 3.47Å; M492-T512 WeakPolarHBondContact CE-OG1 3.23Å; T512-G514 VanDerWaalsContact C-N 3.29Å; T512-G514 PolarHBondContact OG1-N 2.97Å; T512-F516 HydrophobicContact CG2-CD2 3.97Å; T512-F516 HydrophobicContact CG2-CE1 4.24Å; T512-F516 HydrophobicContact CG2-CE2 3.46Å; T512-F516 VanDerWaalsContact CG2-CE2 3.46Å; T512-F516 HydrophobicContact CG2-CZ 3.58Å; T512-I525 PolarHBondContact N-O 3.47Å; T512-G526 CarbonylContact O-C 3.58Å; T512-H527 PolarHBondContact O-N 3.45Å; T512-V528 WeakPolarHBondContact O-CB 3.29Å; T512-V528 VanDerWaalsContact O-CG2 3.32Å; T512-V528 WeakPolarHBondContact O-CG2 3.45Å; T512-V528 PolarHBondContact O-N 3.3Å; T512-V528 VanDerWaalsContact O-N 3.17Å
513D98.5Very high89.7Confident1 Ų116.2 Ų16.21%0.00511%0.109CC..SBendtrans-79.6-10.4163.355.82.2000113.1R479 Y480 E481 G482 M489 V528 E531 A532 I538R479-D513 WeakPolarHBondContact CA-OD1 3.22Å; Y480-D513 PolarHBondContact N-OD1 3.41Å; Y480-D513 VanDerWaalsContact N-OD1 3.14Å; Y480-D513 PolarHBondContact N-OD2 3.4Å; E481-D513 PolarHBondContact N-OD1 2.94Å; G482-D513 VanDerWaalsContact CA-O 3.24Å; G482-D513 WeakPolarHBondContact CA-O 3.33Å; G482-D513 PolarHBondContact N-OD1 3.4Å; M489-D513 WeakPolarHBondContact CE-O 3.42Å; D513-V528 HydrophobicContact CB-CB 4.48Å; D513-E531 HydrophobicContact CB-CB 3.74Å; D513-A532 VanDerWaalsContact OD2-CB 3.31Å; D513-A532 WeakPolarHBondContact OD2-CB 3.36Å; D513-A532 PolarHBondContact OD2-N 3.18Å; D513-I538 HydrophobicContact CB-CD1 4.16Å; D513-I538 HydrophobicContact CB-CG2 4.34Å
514G97.5Very high90Very high0 Ų013.6 Ų13.60%08%0.081CC..SBendtrans-81.7-150.7168.500000113.7E481 M489 T512 H527E481-G514 WeakPolarHBondContact O-CA 3.45Å; M489-G514 WeakPolarHBondContact CE-O 3.46Å; T512-G514 VanDerWaalsContact C-N 3.29Å; T512-G514 PolarHBondContact OG1-N 2.97Å; G514-H527 PolarHBondContact O-N 3.36Å
515R96.4Very high90.2Very high0 Ų012.5 Ų12.50%08%0.075CC..EExtended strand (participates in β ladder)trans-122.5145.1-179.6-55.5179.9-65.8107.35.8110.5K124 N280 M489 Q490 E491 M492 H527K124-R515 VanDerWaalsContact CE-NH1 3.28Å; N280-R515 VanDerWaalsContact CG-NH1 3.33Å; N280-R515 PolarHBondContact ND2-NH1 3.17Å; N280-R515 VanDerWaalsContact OD1-CD 3.28Å; N280-R515 WeakPolarHBondContact OD1-CD 3.21Å; N280-R515 PolarHBondContact OD1-NH1 3.02Å; M489-R515 HydrophobicContact CE-CG 3.56Å; M489-R515 HydrophobicContact CG-CG 3.78Å; M489-R515 VanDerWaalsContact O-CZ 3.26Å; M489-R515 PolarHBondContact O-NE 3.43Å; M489-R515 PolarHBondContact O-NH2 3.5Å; M489-R515 HydrophobicContact SD-CG 3.67Å; Q490-R515 PolarHBondContact O-N 2.8Å; E491-R515 IonicContact OE2-CZ 3.62Å; E491-R515 IonicContact OE2-NH1 3.58Å; E491-R515 PolarHBondContact OE2-NH1 2.87Å; E491-R515 IonicContact OE2-NH2 2.67Å; M492-R515 PolarHBondContact N-O 3.08Å; R515-H527 WeakPolarHBondContact CG-NE2 3.42Å
516F92Very high90.6Very high3 Ų311.9 Ų11.91%0.0137%0.069CC..EExtended strand (participates in β ladder)trans-99.6147.1162.1-68.7-60.5000109.4T279 M492 T496 L510 T512 T520 I525T279-F516 PolarHBondContact OG1-O 3.21Å; M492-F516 HydrophobicContact CB-CD1 4.08Å; M492-F516 HydrophobicContact CB-CE1 4.19Å; M492-F516 HydrophobicContact CE-CE1 4.18Å; M492-F516 WeakPolarHBondContact O-CA 3.39Å; M492-F516 WeakPolarHBondContact O-CD1 3.38Å; T496-F516 HydrophobicContact CG2-CD1 3.44Å; T496-F516 VanDerWaalsContact CG2-CD1 3.44Å; T496-F516 HydrophobicContact CG2-CE1 3.86Å; T496-F516 HydrophobicContact CG2-CG 4.08Å; L510-F516 HydrophobicContact CB-CE1 4.26Å; L510-F516 HydrophobicContact CB-CE2 3.93Å; L510-F516 HydrophobicContact CB-CZ 3.59Å; L510-F516 HydrophobicContact CD1-CE1 4.21Å; L510-F516 HydrophobicContact CD1-CZ 4.36Å; L510-F516 HydrophobicContact CD2-CZ 4.27Å; L510-F516 HydrophobicContact CG-CZ 4.31Å; T512-F516 HydrophobicContact CG2-CD2 3.97Å; T512-F516 HydrophobicContact CG2-CE1 4.24Å; T512-F516 HydrophobicContact CG2-CE2 3.46Å; T512-F516 VanDerWaalsContact CG2-CE2 3.46Å; T512-F516 HydrophobicContact CG2-CZ 3.58Å; F516-T520 HydrophobicContact CB-CG2 4.32Å; F516-I525 WeakPolarHBondContact CE2-O 3.48Å
517S83.8Confident90.9Very high13 Ų135.8 Ų5.89%0.0914%0.042CC..  trans-68155.5-175.4-173.90000113.2E491 M492 G519 T520E491-S517 WeakPolarHBondContact OE1-CA 3.39Å; E491-S517 WeakPolarHBondContact OE1-CB 3.49Å; E491-S517 PolarHBondContact OE1-OG 2.9Å; M492-S517 PolarHBondContact O-N 3.38Å; S517-G519 PolarHBondContact O-N 2.84Å; S517-G519 VanDerWaalsContact O-N 3.09Å; S517-G519 PolarHBondContact OG-N 2.96Å; S517-T520 PolarHBondContact N-OG1 3.25Å; S517-T520 WeakPolarHBondContact O-CB 3.37Å; S517-T520 PolarHBondContact O-N 3.41Å; S517-T520 PolarHBondContact O-OG1 2.97Å; S517-T520 VanDerWaalsContact O-OG1 3.13Å
518G66.1Low91.1Very high0 Ų04.5 Ų4.50%03%0.032CC..THydrogen-bonded Turntrans-58.2-20.5169.500000113.8S278 P316 K437 T520S278-G518 WeakPolarHBondContact OG-CA 3.49Å; P316-G518 WeakPolarHBondContact CD-O 3.3Å; P316-G518 VanDerWaalsContact CG-O 3.32Å; P316-G518 WeakPolarHBondContact CG-O 3.43Å; K437-G518 PolarHBondContact NZ-O 3.11Å; G518-T520 VanDerWaalsContact C-N 3.3Å
519G65.3Low91.2Very high1 Ų14.4 Ų4.41%0.013%0.031CC..THydrogen-bonded Turntrans-78-2.3172.500000115.5P316 S517P316-G519 VanDerWaalsContact CB-O 3.23Å; P316-G519 WeakPolarHBondContact CB-O 3.49Å; P316-G519 VanDerWaalsContact CG-C 3.49Å; P316-G519 WeakPolarHBondContact CG-O 3.39Å; S517-G519 PolarHBondContact O-N 2.84Å; S517-G519 VanDerWaalsContact O-N 3.09Å; S517-G519 PolarHBondContact OG-N 2.96Å
520T76.9Confident91.3Very high10 Ų105.7 Ų5.76%0.0614%0.04CC..  trans-75.1143.4178.9-65.40000112.5P316 T496 F516 S517 G518 S524P316-T520 WeakPolarHBondContact CG-O 3.43Å; T496-T520 HydrophobicContact CG2-CG2 3.49Å; T496-T520 VanDerWaalsContact CG2-CG2 3.49Å; T496-T520 PolarHBondContact OG1-OG1 2.79Å; T496-T520 VanDerWaalsContact OG1-OG1 3.06Å; F516-T520 HydrophobicContact CB-CG2 4.32Å; S517-T520 PolarHBondContact N-OG1 3.25Å; S517-T520 WeakPolarHBondContact O-CB 3.37Å; S517-T520 PolarHBondContact O-N 3.41Å; S517-T520 PolarHBondContact O-OG1 2.97Å; S517-T520 VanDerWaalsContact O-OG1 3.13Å; G518-T520 VanDerWaalsContact C-N 3.3Å; T520-S524 VanDerWaalsContact CG2-OG 3.23Å; T520-S524 WeakPolarHBondContact CG2-OG 3.5Å
521S77.8Confident91.3Very high29 Ų295.8 Ų5.820%0.2034%0.04CC..  trans-139.7165.1160.3750000109.6K500K500-S521 WeakPolarHBondContact CE-O 3.41Å; K500-S521 WeakPolarHBondContact CE-OG 3.48Å; K500-S521 PolarHBondContact NZ-OG 2.96Å
522G88.6Confident91.3Very high11 Ų115.8 Ų5.811%0.1134%0.04CC..SBendtrans95.5-176.9-163.400000112.1G440 S524G440-G522 PolarHBondContact O-N 3.21Å; G522-S524 PolarHBondContact O-N 3.45Å
523L94.8Very high91.3Very high2 Ų27.1 Ų7.11%0.015%0.051CC..EExtended strand (participates in β ladder)trans-81.380.9-178.2-174.956.9000110.8V436 V441 I445 F448 A509 L510 I525 I549 I551V436-L523 HydrophobicContact CG2-CD1 4.31Å; V441-L523 HydrophobicContact CG1-CD1 4.33Å; V441-L523 HydrophobicContact CG2-CD1 4.35Å; I445-L523 HydrophobicContact CD1-CB 3.95Å; F448-L523 HydrophobicContact CB-CD2 3.48Å; F448-L523 VanDerWaalsContact CB-CD2 3.48Å; F448-L523 HydrophobicContact CD1-CD2 4.47Å; F448-L523 HydrophobicContact CD2-CD2 4.41Å; F448-L523 HydrophobicContact CG-CD2 3.89Å; A509-L523 WeakPolarHBondContact CA-O 3.29Å; A509-L523 HydrophobicContact CB-CB 4.39Å; A509-L523 HydrophobicContact CB-CD2 3.74Å; A509-L523 HydrophobicContact CB-CG 3.94Å; L510-L523 PolarHBondContact N-O 3.31Å; L523-I525 HydrophobicContact CD1-CD1 4.19Å; L523-I525 HydrophobicContact CD1-CG1 4.35Å; L523-I549 HydrophobicContact CD1-CG2 4.31Å; L523-I549 HydrophobicContact CD2-CD1 3.84Å; L523-I549 HydrophobicContact CD2-CG2 4.44Å; L523-I549 HydrophobicContact CG-CD1 4.32Å; L523-I551 HydrophobicContact CD1-CD1 3.66Å
524S96Very high91.2Very high11 Ų119.6 Ų9.68%0.0777%0.068CC..EExtended strand (participates in β ladder)trans-119117.1-178.2-57.30000110.9L510 T520 G522L510-S524 WeakPolarHBondContact O-CA 3.24Å; T520-S524 VanDerWaalsContact CG2-OG 3.23Å; T520-S524 WeakPolarHBondContact CG2-OG 3.5Å; G522-S524 PolarHBondContact O-N 3.45Å
525I97.3Very high91.2Very high0 Ų010.4 Ų10.40%08%0.077CC..EExtended strand (participates in β ladder)trans-117.9112.4-169.4-56.1174.1000108.7L425 C434 I435 V436 L510 I511 T512 F516 L523 I549 I556L425-I525 HydrophobicContact CD1-CD1 3.91Å; L425-I525 HydrophobicContact CD1-CG1 4.48Å; C434-I525 HydrophobicContact CB-CG2 3.94Å; C434-I525 WeakPolarHBondContact SG-CG2 3.44Å; I435-I525 WeakPolarHBondContact O-CA 3.5Å; V436-I525 HydrophobicContact CB-CG1 4.13Å; V436-I525 HydrophobicContact CG2-CG1 4.13Å; L510-I525 PolarHBondContact O-N 2.99Å; I511-I525 CarbonylContact C-O 3.6Å; I511-I525 WeakPolarHBondContact CA-O 3.22Å; I511-I525 HydrophobicContact CG1-CB 4.25Å; I511-I525 HydrophobicContact CG1-CD1 4.32Å; T512-I525 PolarHBondContact N-O 3.47Å; F516-I525 WeakPolarHBondContact CE2-O 3.48Å; L523-I525 HydrophobicContact CD1-CD1 4.19Å; L523-I525 HydrophobicContact CD1-CG1 4.35Å; I525-I549 HydrophobicContact CD1-CD1 3.75Å; I525-I549 HydrophobicContact CD1-CG1 4.03Å; I525-I549 HydrophobicContact CD1-CG2 3.89Å; I525-I556 HydrophobicContact CD1-CD1 3.87Å; I525-I556 HydrophobicContact CG2-CD1 4.18Å
526G97.4Very high91.3Very high2 Ų210.4 Ų10.42%0.0218%0.077CC..EExtended strand (participates in β ladder)trans-110.5179.6-179.300000112.7C434 I435 T512 V528C434-G526 WeakPolarHBondContact CB-O 3.17Å; I435-G526 PolarHBondContact N-O 2.96Å; I435-G526 PolarHBondContact O-N 3.24Å; T512-G526 CarbonylContact O-C 3.58Å; G526-V528 PolarHBondContact O-N 3.2Å
527H98.1Very high91.6Very high6 Ų610.9 Ų10.93%0.0288%0.081CC..  trans63.126172.9-49.7-178.4000113.8T279 M489 T512 G514 R515 S529 A603T279-H527 PolarHBondContact O-CE1 3.14Å; T279-H527 VanDerWaalsContact O-CE1 3.25Å; M489-H527 HydrophobicContact CE-CB 4.11Å; M489-H527 VanDerWaalsContact CE-CD2 3.44Å; M489-H527 WeakPolarHBondContact CE-CD2 3.37Å; T512-H527 PolarHBondContact O-N 3.45Å; G514-H527 PolarHBondContact O-N 3.36Å; R515-H527 WeakPolarHBondContact CG-NE2 3.42Å; H527-S529 PolarHBondContact O-N 3.43Å; H527-S529 PolarHBondContact O-OG 2.8Å; H527-A603 HydrophobicContact CB-CB 4.05Å
528V98.7Very high92.3Very high1 Ų110.2 Ų10.21%0.0068%0.076CC..  trans-54.7116.41761750000109.6F429 A430 C434 I511 T512 D513 G526 P530 I538F429-V528 HydrophobicContact CD2-CG1 3.97Å; F429-V528 HydrophobicContact CE2-CG1 4.42Å; F429-V528 HydrophobicContact CE2-CG2 4.4Å; F429-V528 WeakPolarHBondContact O-CG1 3.2Å; A430-V528 HydrophobicContact CB-CG1 4.14Å; C434-V528 HydrophobicContact CB-CB 4.36Å; C434-V528 HydrophobicContact CB-CG2 3.75Å; I511-V528 HydrophobicContact CG2-CG2 3.88Å; T512-V528 WeakPolarHBondContact O-CB 3.29Å; T512-V528 VanDerWaalsContact O-CG2 3.32Å; T512-V528 WeakPolarHBondContact O-CG2 3.45Å; T512-V528 PolarHBondContact O-N 3.3Å; T512-V528 VanDerWaalsContact O-N 3.17Å; D513-V528 HydrophobicContact CB-CB 4.48Å; G526-V528 PolarHBondContact O-N 3.2Å; V528-P530 CarbonylContact O-C 3.5Å; V528-I538 HydrophobicContact CB-CD1 3.9Å; V528-I538 HydrophobicContact CG1-CB 3.88Å; V528-I538 HydrophobicContact CG1-CD1 3.87Å; V528-I538 HydrophobicContact CG1-CG1 4.35Å; V528-I538 HydrophobicContact CG1-CG2 4.09Å; V528-I538 HydrophobicContact CG2-CD1 4.17Å
529S98.7Very high93.8Very high2 Ų210.4 Ų10.41%0.0148%0.078CC..SBendtrans-123.2131.5-172.8-62.40000110.2A430 E431 N432 G433 H527 D604A430-S529 CarbonylContact C-O 3.52Å; E431-S529 PolarHBondContact N-O 3.03Å; E431-S529 VanDerWaalsContact N-O 3.17Å; N432-S529 PolarHBondContact N-O 2.92Å; G433-S529 PolarHBondContact O-N 3.03Å; G433-S529 VanDerWaalsContact O-N 3.09Å; H527-S529 PolarHBondContact O-N 3.43Å; H527-S529 PolarHBondContact O-OG 2.8Å; S529-D604 WeakPolarHBondContact CB-OD1 3.26Å; S529-D604 PolarHBondContact OG-N 2.99Å
530P98.5Very high95.4Very high27 Ų2710.8 Ų10.818%0.1758%0.08CC..SBendcis-68.1151.6-2.7-17.631.6000113.8V528 G536V528-P530 CarbonylContact O-C 3.5Å; P530-G536 WeakPolarHBondContact O-CA 3.43Å
531E98.6Very high96.4Very high2 Ų210.3 Ų10.31%0.0098%0.077CC..  trans-68.5160.8174.469.6175.5128.600112.3G482 P483 K484 G485 D513 A533 S534 G536G482-E531 WeakPolarHBondContact CA-OE2 3.2Å; P483-E531 WeakPolarHBondContact CD-OE1 3.35Å; K484-E531 WeakPolarHBondContact CB-OE1 3.35Å; K484-E531 VanDerWaalsContact CG-OE1 3.32Å; K484-E531 WeakPolarHBondContact CG-OE1 3.38Å; K484-E531 PolarHBondContact N-OE1 3.26Å; K484-E531 PolarHBondContact N-OE2 3.37Å; K484-E531 VanDerWaalsContact N-OE2 3.1Å; G485-E531 PolarHBondContact N-OE2 2.9Å; D513-E531 HydrophobicContact CB-CB 3.74Å; E531-A533 VanDerWaalsContact C-N 3.32Å; E531-A533 HydrophobicContact CG-CB 4.4Å; E531-A533 PolarHBondContact O-N 3.21Å; E531-S534 PolarHBondContact O-N 3.3Å; E531-S534 VanDerWaalsContact O-N 3.07Å; E531-G536 WeakPolarHBondContact O-CA 3.27Å; E531-G536 PolarHBondContact O-N 3.23Å
532A98.5Very high97.4Very high0 Ų013.5 Ų13.50%09%0.089CC..G310 helixtrans-58.4-41.9179.500000112.4R479 Y480 D513 S534 G535 I538R479-A532 HydrophobicContact CB-CB 4.2Å; Y480-A532 HydrophobicContact CD1-CB 3.53Å; Y480-A532 HydrophobicContact CE1-CB 3.51Å; Y480-A532 HydrophobicContact CG-CB 4.06Å; D513-A532 VanDerWaalsContact OD2-CB 3.31Å; D513-A532 WeakPolarHBondContact OD2-CB 3.36Å; D513-A532 PolarHBondContact OD2-N 3.18Å; A532-S534 PolarHBondContact O-N 3.42Å; A532-G535 PolarHBondContact O-N 2.83Å; A532-G535 VanDerWaalsContact O-N 3.09Å; A532-I538 HydrophobicContact CB-CG2 4.05Å
533A97.7Very high97.9Very high29 Ų2918.2 Ų18.224%0.2411%0.111CC..G310 helixtrans-69.3-12-179.300000114.4Y480 K484 E531Y480-A533 HydrophobicContact CD1-CB 4.33Å; K484-A533 HydrophobicContact CB-CB 4.28Å; E531-A533 VanDerWaalsContact C-N 3.32Å; E531-A533 HydrophobicContact CG-CB 4.4Å; E531-A533 PolarHBondContact O-N 3.21Å
534S96.9Very high98Very high52 Ų5220.4 Ų20.436%0.36413%0.134SC..G310 helixtrans-105.316.6174.1-66.20000112.2K484 E531 A532K484-S534 PolarHBondContact NZ-OG 2.88Å; E531-S534 PolarHBondContact O-N 3.3Å; E531-S534 VanDerWaalsContact O-N 3.07Å; A532-S534 PolarHBondContact O-N 3.42Å
535G97.3Very high98.2Very high17 Ų1720.9 Ų20.918%0.17514%0.136CC..THydrogen-bonded Turntrans87.89.3179.200000115.1A532 R569 W580A532-G535 PolarHBondContact O-N 2.83Å; A532-G535 VanDerWaalsContact O-N 3.09Å; G535-R569 PolarHBondContact O-NH1 2.72Å; G535-R569 PolarHBondContact O-NH2 3.09Å; G535-W580 WeakPolarHBondContact O-CH2 3.34Å
536G98Very high98.2Very high1 Ų124.4 Ų24.41%0.0116%0.155CC..  trans-65.4145.2-179.700000112.9P530 E531 I538 G539P530-G536 WeakPolarHBondContact O-CA 3.43Å; E531-G536 WeakPolarHBondContact O-CA 3.27Å; E531-G536 PolarHBondContact O-N 3.23Å; G536-I538 PolarHBondContact O-N 3.24Å; G536-I538 VanDerWaalsContact O-N 3.11Å; G536-G539 PolarHBondContact O-N 2.83Å
537S98Very high98.3Very high12 Ų1224.3 Ų24.38%0.08415%0.154CC..G310 helixtrans-66.9-13-174.2-54.90000113.7E431 G539 L540 R569E431-S537 PolarHBondContact OE1-OG 2.79Å; E431-S537 VanDerWaalsContact OE1-OG 3.12Å; S537-G539 PolarHBondContact O-N 2.93Å; S537-L540 WeakPolarHBondContact O-CB 3.32Å; S537-L540 PolarHBondContact O-N 3.05Å; S537-R569 PolarHBondContact OG-NH2 3.13Å
538I98.6Very high98.3Very high0 Ų025 Ų250%016%0.16CC..G310 helixtrans-57.1-29165.3-170.7177.4000112.2F429 V477 R479 I511 D513 V528 A532 G536 L540 I541F429-I538 HydrophobicContact CD2-CB 4.24Å; F429-I538 HydrophobicContact CD2-CG1 4.49Å; V477-I538 HydrophobicContact CG1-CD1 4.31Å; V477-I538 HydrophobicContact CG1-CG1 4.12Å; R479-I538 HydrophobicContact CB-CG1 4.39Å; I511-I538 HydrophobicContact CG2-CD1 4.19Å; D513-I538 HydrophobicContact CB-CD1 4.16Å; D513-I538 HydrophobicContact CB-CG2 4.34Å; V528-I538 HydrophobicContact CB-CD1 3.9Å; V528-I538 HydrophobicContact CG1-CB 3.88Å; V528-I538 HydrophobicContact CG1-CD1 3.87Å; V528-I538 HydrophobicContact CG1-CG1 4.35Å; V528-I538 HydrophobicContact CG1-CG2 4.09Å; V528-I538 HydrophobicContact CG2-CD1 4.17Å; A532-I538 HydrophobicContact CB-CG2 4.05Å; G536-I538 PolarHBondContact O-N 3.24Å; G536-I538 VanDerWaalsContact O-N 3.11Å; I538-L540 PolarHBondContact O-N 3.2Å; I538-I541 HydrophobicContact CG1-CD1 4.02Å; I538-I541 PolarHBondContact O-N 3.24Å
539G98.2Very high98.3Very high4 Ų425 Ų254%0.04116%0.16CC..G310 helixtrans-67.8-9.9173.500000114.8R479 G536 S537R479-G539 PolarHBondContact NH1-O 2.82Å; G536-G539 PolarHBondContact O-N 2.83Å; S537-G539 PolarHBondContact O-N 2.93Å
540L98.4Very high98.3Very high8 Ų826.8 Ų26.84%0.04217%0.169CC..G310 helixtrans-105.9-3.6-176.9-53.6178.6000113.6S537 I538 L565 R568 R569 Q572 W580S537-L540 WeakPolarHBondContact O-CB 3.32Å; S537-L540 PolarHBondContact O-N 3.05Å; I538-L540 PolarHBondContact O-N 3.2Å; L540-L565 HydrophobicContact CB-CD2 4.24Å; L540-L565 HydrophobicContact CD1-CD2 4.49Å; L540-R568 HydrophobicContact CB-CB 4.4Å; L540-R568 HydrophobicContact CD2-CB 4.32Å; L540-R568 WeakPolarHBondContact O-CD 3.24Å; L540-R568 PolarHBondContact O-NH1 2.66Å; L540-R569 HydrophobicContact CD1-CB 3.86Å; L540-R569 HydrophobicContact CD2-CB 4.43Å; L540-Q572 HydrophobicContact CD2-CB 3.97Å; L540-Q572 HydrophobicContact CD2-CG 4.28Å; L540-W580 HydrophobicContact CD2-CH2 3.74Å; L540-W580 HydrophobicContact CD2-CZ3 4.05Å; L540-W580 HydrophobicContact CG-CH2 4.17Å; L540-W580 HydrophobicContact CG-CZ3 4.4Å
541I98.6Very high98.2Very high1 Ų125.5 Ų25.51%0.00516%0.161CC..  trans-67.4135.2175.6-57.2175.2000108.9F429 A452 V454 V477 R479 I538 I547 L558F429-I541 HydrophobicContact CD2-CD1 4.08Å; F429-I541 HydrophobicContact CE2-CD1 4.29Å; F429-I541 HydrophobicContact CG-CD1 4.21Å; A452-I541 HydrophobicContact CB-CG2 3.71Å; V454-I541 HydrophobicContact CG2-CB 4.45Å; V454-I541 HydrophobicContact CG2-CG2 3.83Å; V477-I541 HydrophobicContact CG1-CD1 4.15Å; V477-I541 HydrophobicContact CG2-CD1 4.39Å; V477-I541 HydrophobicContact CG2-CG2 4.36Å; R479-I541 PolarHBondContact NH1-O 3.21Å; I538-I541 HydrophobicContact CG1-CD1 4.02Å; I538-I541 PolarHBondContact O-N 3.24Å; I541-I547 HydrophobicContact CD1-CD1 4.15Å; I541-I547 HydrophobicContact CG2-CD1 4.19Å; I541-L558 HydrophobicContact CG1-CD1 4.11Å; I541-L558 HydrophobicContact CG1-CD2 4.03Å; I541-L558 HydrophobicContact CG2-CD1 4.18Å
542E98.4Very high98.1Very high96 Ų9628.3 Ų28.345%0.44918%0.179SC..  trans-118.1157.2177.3-64.5-174.5161.400110.8G544 D545 R568E542-G544 PolarHBondContact O-N 2.99Å; E542-D545 PolarHBondContact N-OD2 2.91Å; E542-D545 WeakPolarHBondContact O-CB 3.38Å; E542-D545 PolarHBondContact O-N 3.07Å; E542-R568 IonicContact OE1-NE 2.85Å; E542-R568 IonicContact OE2-CZ 3.81Å; E542-R568 VanDerWaalsContact OE2-CZ 3.29Å; E542-R568 IonicContact OE2-NE 2.85Å; E542-R568 PolarHBondContact OE2-NE 3Å; E542-R568 IonicContact OE2-NH1 2.67Å; E542-R568 IonicContact OE2-NH2 3.3Å; E542-R568 PolarHBondContact OE2-NH2 2.76Å
543D98.3Very high98Very high110 Ų11033.5 Ų33.559%0.58821%0.207SC*.THydrogen-bonded Turntrans-57.7133.5177.4-77.6-45.1000111.2K453 V454 D545K453-D543 WeakPolarHBondContact CA-OD1 3.34Å; V454-D543 PolarHBondContact N-OD1 3.18Å; D543-D545 VanDerWaalsContact C-N 3.34Å
544G98.4Very high98Very high48 Ų4832.5 Ų32.550%0.49520%0.197SC..THydrogen-bonded Turntrans88.4-11.6179.600000115.3A452 E542 L546A452-G544 PolarHBondContact O-N 3.49Å; E542-G544 PolarHBondContact O-N 2.99Å; G544-L546 PolarHBondContact O-N 3.38Å
545D98.7Very high98Very high20 Ų2031.1 Ų31.111%0.10719%0.191CC..  trans-58.9137.8172.7-70.6-26.4000110.5P451 A452 E542 D543 L558 V560 R568P451-D545 CarbonylContact C-O 3.54Å; P451-D545 WeakPolarHBondContact CA-O 3.15Å; A452-D545 HydrophobicContact CB-CB 4.4Å; A452-D545 WeakPolarHBondContact CB-O 3.36Å; A452-D545 PolarHBondContact N-O 3.33Å; E542-D545 PolarHBondContact N-OD2 2.91Å; E542-D545 WeakPolarHBondContact O-CB 3.38Å; E542-D545 PolarHBondContact O-N 3.07Å; D543-D545 VanDerWaalsContact C-N 3.34Å; D545-L558 HydrophobicContact CB-CD1 3.6Å; D545-V560 HydrophobicContact CB-CG2 4.16Å; D545-R568 IonicContact OD1-CZ 3.89Å; D545-R568 IonicContact OD1-NH1 2.96Å; D545-R568 PolarHBondContact OD1-NH1 3.46Å; D545-R568 IonicContact OD1-NH2 3.86Å; D545-R568 PolarHBondContact OD1-NH2 3.29Å; D545-R568 IonicContact OD2-CZ 3.23Å; D545-R568 IonicContact OD2-NH1 3.52Å; D545-R568 PolarHBondContact OD2-NH1 3.15Å; D545-R568 IonicContact OD2-NH2 3.85Å
546L98.7Very high98.1Very high75 Ų7530.4 Ų30.439%0.39318%0.183SC..EExtended strand (participates in β ladder)trans-79.9128.5175.9-68.7178000110.7P451 G544 Q559P451-L546 HydrophobicContact CB-CD2 4.45Å; G544-L546 PolarHBondContact O-N 3.38Å; L546-Q559 HydrophobicContact CB-CB 4.04Å; L546-Q559 HydrophobicContact CB-CG 4.37Å; L546-Q559 WeakPolarHBondContact O-CB 3.32Å; L546-Q559 PolarHBondContact O-N 2.95Å
547I98.8Very high98.1Very high0 Ų034.4 Ų34.40%020%0.202CC..EExtended strand (participates in β ladder)trans-113.8125.5173.1-62.6169.8000108.5F429 T449 G450 A452 V475 V477 I511 I541 I549 Q557 L558F429-I547 HydrophobicContact CE1-CG2 4.11Å; F429-I547 HydrophobicContact CZ-CG2 4.07Å; T449-I547 VanDerWaalsContact CA-O 3.27Å; T449-I547 WeakPolarHBondContact CA-O 3.18Å; G450-I547 PolarHBondContact N-O 3.36Å; G450-I547 PolarHBondContact O-N 3.33Å; A452-I547 HydrophobicContact CB-CD1 3.93Å; V475-I547 HydrophobicContact CB-CB 4.47Å; V475-I547 HydrophobicContact CB-CD1 4.38Å; V475-I547 HydrophobicContact CG1-CB 4.16Å; V475-I547 HydrophobicContact CG1-CD1 3.77Å; V475-I547 HydrophobicContact CG1-CG2 4.31Å; V475-I547 HydrophobicContact CG2-CB 4.31Å; V477-I547 HydrophobicContact CG2-CD1 3.64Å; I511-I547 HydrophobicContact CD1-CD1 4.2Å; I511-I547 HydrophobicContact CD1-CG2 3.82Å; I541-I547 HydrophobicContact CD1-CD1 4.15Å; I541-I547 HydrophobicContact CG2-CD1 4.19Å; I547-I549 HydrophobicContact CG2-CG1 4.31Å; I547-Q557 CarbonylContact C-O 3.51Å; I547-Q557 WeakPolarHBondContact CA-O 3.46Å; I547-L558 HydrophobicContact CG1-CD1 3.82Å
548A98.7Very high98.1Very high19 Ų1933.9 Ų33.916%0.15720%0.198CC..EExtended strand (participates in β ladder)trans-106.1125.6175.700000110.9T449 I556 Q557 Q559T449-A548 HydrophobicContact CG2-CB 4.3Å; A548-I556 CarbonylContact O-C 3.48Å; A548-I556 WeakPolarHBondContact O-CA 3.41Å; A548-Q557 PolarHBondContact N-O 3.49Å; A548-Q557 PolarHBondContact O-N 2.84Å; A548-Q559 HydrophobicContact CB-CG 4.39Å
549I98.6Very high98.1Very high3 Ų338.9 Ų38.92%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-113.8128177.4-59.1159.3000107.5L425 K447 F448 A509 I511 L523 I525 I547 I551 I556L425-I549 HydrophobicContact CD1-CG2 4.21Å; K447-I549 VanDerWaalsContact CA-O 3.3Å; K447-I549 WeakPolarHBondContact CA-O 3.32Å; F448-I549 HydrophobicContact CB-CB 4.46Å; F448-I549 PolarHBondContact N-O 3.4Å; F448-I549 PolarHBondContact O-N 3.11Å; A509-I549 HydrophobicContact CB-CD1 3.73Å; I511-I549 HydrophobicContact CD1-CD1 4.31Å; L523-I549 HydrophobicContact CD1-CG2 4.31Å; L523-I549 HydrophobicContact CD2-CD1 3.84Å; L523-I549 HydrophobicContact CD2-CG2 4.44Å; L523-I549 HydrophobicContact CG-CD1 4.32Å; I525-I549 HydrophobicContact CD1-CD1 3.75Å; I525-I549 HydrophobicContact CD1-CG1 4.03Å; I525-I549 HydrophobicContact CD1-CG2 3.89Å; I547-I549 HydrophobicContact CG2-CG1 4.31Å; I549-I551 HydrophobicContact CG2-CG1 4.17Å; I549-I556 HydrophobicContact CG1-CD1 4.29Å; I549-I556 HydrophobicContact CG1-CG1 4.14Å
550D98Very high98.1Very high38 Ų3839.7 Ų39.720%0.20323%0.226CC..EExtended strand (participates in β ladder)trans-135.185.7177.1-168.2-21.4000109.3K447 P552 N553 R554 G555K447-D550 WeakPolarHBondContact CE-OD1 3.41Å; K447-D550 IonicContact NZ-OD1 2.61Å; K447-D550 PolarHBondContact NZ-OD1 3.44Å; K447-D550 IonicContact NZ-OD2 2.72Å; K447-D550 PolarHBondContact NZ-OD2 2.91Å; D550-P552 VanDerWaalsContact OD1-CD 3.29Å; D550-P552 WeakPolarHBondContact OD1-CD 3.43Å; D550-N553 HydrophobicContact CB-CB 4.35Å; D550-N553 CarbonylContact O-C 3.56Å; D550-N553 PolarHBondContact O-N 2.94Å; D550-N553 PolarHBondContact OD1-N 2.96Å; D550-N553 PolarHBondContact OD1-ND2 3.46Å; D550-N553 PolarHBondContact OD2-ND2 2.85Å; D550-R554 PolarHBondContact O-N 3.06Å; D550-G555 PolarHBondContact N-O 3.39Å; D550-G555 PolarHBondContact O-N 2.92Å
551I96.9Very high98.1Very high1 Ų142.8 Ų42.81%0.00525%0.248CC..THydrogen-bonded Turntrans-59.2-45.4-179.1-67.8174.4000112.1A423 L425 V436 T438 V441 L446 L523 I549 N553 R554A423-I551 HydrophobicContact CB-CG2 4.48Å; L425-I551 HydrophobicContact CD1-CG1 4.3Å; L425-I551 HydrophobicContact CD2-CG1 4.26Å; V436-I551 HydrophobicContact CG1-CD1 4.17Å; V436-I551 HydrophobicContact CG1-CG1 4.28Å; V436-I551 HydrophobicContact CG2-CD1 4.18Å; T438-I551 HydrophobicContact CG2-CD1 4.48Å; T438-I551 HydrophobicContact CG2-CG2 3.53Å; V441-I551 HydrophobicContact CG1-CD1 4.26Å; V441-I551 HydrophobicContact CG2-CD1 4.25Å; L446-I551 HydrophobicContact CD2-CB 4.43Å; L446-I551 HydrophobicContact CD2-CD1 4.19Å; L446-I551 HydrophobicContact CD2-CG2 4.27Å; L446-I551 WeakPolarHBondContact O-CB 3.43Å; L446-I551 PolarHBondContact O-N 3.31Å; L523-I551 HydrophobicContact CD1-CD1 3.66Å; I549-I551 HydrophobicContact CG2-CG1 4.17Å; I551-N553 PolarHBondContact O-N 2.9Å; I551-R554 WeakPolarHBondContact O-CD 3.4Å; I551-R554 PolarHBondContact O-N 3.17Å; I551-R554 PolarHBondContact O-NH1 3.45Å
552P95.3Very high98Very high61 Ų6148.9 Ų48.940%0.39628%0.28SS..THydrogen-bonded Turntrans-55.4-36177.2-2935.7000113.6L446 D550L446-P552 HydrophobicContact CB-CG 4.31Å; L446-P552 WeakPolarHBondContact O-CD 3.43Å; D550-P552 VanDerWaalsContact OD1-CD 3.29Å; D550-P552 WeakPolarHBondContact OD1-CD 3.43Å
553N96.8Very high98Very high109 Ų10948 Ų4858%0.58329%0.29SS*.THydrogen-bonded Turntrans-94.54.7178.4-68.9-44000114K447 D550 I551 G555K447-N553 PolarHBondContact NZ-ND2 3.14Å; D550-N553 HydrophobicContact CB-CB 4.35Å; D550-N553 CarbonylContact O-C 3.56Å; D550-N553 PolarHBondContact O-N 2.94Å; D550-N553 PolarHBondContact OD1-N 2.96Å; D550-N553 PolarHBondContact OD1-ND2 3.46Å; D550-N553 PolarHBondContact OD2-ND2 2.85Å; I551-N553 PolarHBondContact O-N 2.9Å; N553-G555 PolarHBondContact O-N 2.84Å
554R97.3Very high98Very high8 Ų846.7 Ų46.73%0.0328%0.28CS..THydrogen-bonded Turntrans55.134.8-175.1-56.7-53.4-163.6-130.40.3114.1D302 S305 D419 V424 L425 Y426 D550 I551D302-R554 IonicContact OD1-NE 3.06Å; S305-R554 PolarHBondContact O-NH2 2.83Å; S305-R554 PolarHBondContact OG-NH2 2.84Å; D419-R554 IonicContact OD1-CZ 2.63Å; D419-R554 IonicContact OD1-NH1 2.8Å; D419-R554 PolarHBondContact OD1-NH1 2.86Å; D419-R554 IonicContact OD1-NH2 3.5Å; D419-R554 PolarHBondContact OD1-NH2 3.38Å; D419-R554 IonicContact OD2-CZ 2.62Å; D419-R554 IonicContact OD2-NH1 2.8Å; D419-R554 PolarHBondContact OD2-NH1 2.85Å; D419-R554 IonicContact OD2-NH2 3.66Å; V424-R554 WeakPolarHBondContact O-CB 3.45Å; V424-R554 VanDerWaalsContact O-CD 3.31Å; V424-R554 WeakPolarHBondContact O-CD 3.43Å; L425-R554 HydrophobicContact CD2-CB 4.5Å; Y426-R554 PolarHBondContact N-O 2.81Å; D550-R554 PolarHBondContact O-N 3.06Å; I551-R554 WeakPolarHBondContact O-CD 3.4Å; I551-R554 PolarHBondContact O-N 3.17Å; I551-R554 PolarHBondContact O-NH1 3.45Å
555G98.2Very high98Very high23 Ų2345.3 Ų45.324%0.23726%0.261CS..EExtended strand (participates in β ladder)trans-110143.1-175.300000113.6Y426 D550 N553Y426-G555 CarbonylContact O-C 3.49Å; Y426-G555 WeakPolarHBondContact O-CA 3.43Å; D550-G555 PolarHBondContact N-O 3.39Å; D550-G555 PolarHBondContact O-N 2.92Å; N553-G555 PolarHBondContact O-N 2.84Å
556I98.6Very high97.9Very high1 Ų146.7 Ų46.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-145.6115.2169.1-173.3171.1000110.4L425 Y426 G427 F429 A430 I511 I525 A548 I549L425-I556 HydrophobicContact CB-CB 4.19Å; L425-I556 HydrophobicContact CB-CG2 3.83Å; L425-I556 HydrophobicContact CD1-CB 4.44Å; Y426-I556 PolarHBondContact O-N 3.4Å; G427-I556 WeakPolarHBondContact CA-O 3.5Å; F429-I556 HydrophobicContact CE1-CD1 4.32Å; F429-I556 HydrophobicContact CE1-CG1 3.76Å; F429-I556 HydrophobicContact CE2-CD1 3.93Å; F429-I556 HydrophobicContact CE2-CG1 4.26Å; F429-I556 HydrophobicContact CZ-CD1 3.43Å; F429-I556 VanDerWaalsContact CZ-CD1 3.43Å; F429-I556 HydrophobicContact CZ-CG1 3.38Å; A430-I556 HydrophobicContact CB-CG2 3.93Å; I511-I556 HydrophobicContact CD1-CD1 3.98Å; I511-I556 HydrophobicContact CG1-CD1 4.44Å; I525-I556 HydrophobicContact CD1-CD1 3.87Å; I525-I556 HydrophobicContact CG2-CD1 4.18Å; A548-I556 CarbonylContact O-C 3.48Å; A548-I556 WeakPolarHBondContact O-CA 3.41Å; I549-I556 HydrophobicContact CG1-CD1 4.29Å; I549-I556 HydrophobicContact CG1-CG1 4.14Å
557Q98.4Very high97.9Very high85 Ų8545.3 Ų45.340%0.39728%0.275SS..EExtended strand (participates in β ladder)trans-131.5130.6-167.1-168.973.91700111.6N428 I547 A548N428-Q557 PolarHBondContact ND2-NE2 2.81Å; N428-Q557 VanDerWaalsContact ND2-NE2 3.16Å; I547-Q557 CarbonylContact C-O 3.51Å; I547-Q557 WeakPolarHBondContact CA-O 3.46Å; A548-Q557 PolarHBondContact N-O 3.49Å; A548-Q557 PolarHBondContact O-N 2.84Å
558L98.6Very high97.9Very high1 Ų146.5 Ų46.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-81119.2162.6-178.969.9000108.3N428 F429 I541 D545 I547 V560 L565N428-L558 PolarHBondContact ND2-O 3.29Å; N428-L558 PolarHBondContact OD1-N 2.98Å; F429-L558 HydrophobicContact CD1-CB 3.75Å; F429-L558 HydrophobicContact CE1-CB 4.21Å; I541-L558 HydrophobicContact CG1-CD1 4.11Å; I541-L558 HydrophobicContact CG1-CD2 4.03Å; I541-L558 HydrophobicContact CG2-CD1 4.18Å; D545-L558 HydrophobicContact CB-CD1 3.6Å; I547-L558 HydrophobicContact CG1-CD1 3.82Å; L558-V560 HydrophobicContact CD1-CG2 4.14Å; L558-V560 HydrophobicContact CD2-CB 4.19Å; L558-V560 HydrophobicContact CD2-CG2 4.1Å; L558-V560 HydrophobicContact CG-CB 4.06Å; L558-V560 HydrophobicContact CG-CG2 3.78Å; L558-V560 PolarHBondContact O-N 3.25Å; L558-L565 HydrophobicContact CD2-CD1 4.44Å; L558-L565 HydrophobicContact CD2-CD2 3.53Å; L558-L565 HydrophobicContact CD2-CG 4.44Å
559Q98.1Very high97.9Very high106 Ų10649.1 Ų49.150%0.49529%0.285SS..  trans-82.955.7-177.2-60.5-169.2-12.300111.8L546 A548L546-Q559 HydrophobicContact CB-CB 4.04Å; L546-Q559 HydrophobicContact CB-CG 4.37Å; L546-Q559 WeakPolarHBondContact O-CB 3.32Å; L546-Q559 PolarHBondContact O-N 2.95Å; A548-Q559 HydrophobicContact CB-CG 4.39Å
560V97.8Very high97.8Very high21 Ų2156 Ų5613%0.12732%0.317CS..SBendtrans-121140.6175.9176.70000107.4D545 L558 E564 L565D545-V560 HydrophobicContact CB-CG2 4.16Å; L558-V560 HydrophobicContact CD1-CG2 4.14Å; L558-V560 HydrophobicContact CD2-CB 4.19Å; L558-V560 HydrophobicContact CD2-CG2 4.1Å; L558-V560 HydrophobicContact CG-CB 4.06Å; L558-V560 HydrophobicContact CG-CG2 3.78Å; L558-V560 PolarHBondContact O-N 3.25Å; V560-E564 HydrophobicContact CG1-CB 3.57Å; V560-E564 HydrophobicContact CG1-CG 3.35Å; V560-L565 HydrophobicContact CB-CG 4.27Å; V560-L565 HydrophobicContact CG1-CD2 4.39Å; V560-L565 HydrophobicContact CG1-CG 4.01Å
561S97.9Very high97.8Very high73 Ų7357.2 Ų57.251%0.5133%0.332SS..  trans-64.8150.1-179.773.70000111.8A563 E564 L565S561-A563 PolarHBondContact O-N 2.81Å; S561-E564 PolarHBondContact O-N 2.8Å; S561-E564 VanDerWaalsContact O-N 3.08Å; S561-E564 WeakPolarHBondContact OG-CB 3.41Å; S561-E564 PolarHBondContact OG-N 3.44Å; S561-L565 PolarHBondContact O-N 3.32Å
562D97.3Very high97.9Very high128 Ų12858 Ų5868%0.68434%0.336SS*.Hα-helixtrans-58.1-34177.9-62.3-21.5000112.5L565 A566D562-L565 PolarHBondContact O-N 3.29Å; D562-A566 WeakPolarHBondContact O-CB 3.27Å; D562-A566 PolarHBondContact O-N 3.3Å
563A98.3Very high97.9Very high79 Ų7958.9 Ų58.965%0.65334%0.338SS*.Hα-helixtrans-65-42.2176.900000112.2S561 A566 A567S561-A563 PolarHBondContact O-N 2.81Å; A563-A566 PolarHBondContact O-N 3.39Å; A563-A567 PolarHBondContact O-N 3.45Å
564E98.4Very high98Very high81 Ų8157.8 Ų57.838%0.37934%0.344SS..Hα-helixtrans-68.2-42.4175.8177.462.2-157.800110.9V560 S561 A566 A567 R568V560-E564 HydrophobicContact CG1-CB 3.57Å; V560-E564 HydrophobicContact CG1-CG 3.35Å; S561-E564 PolarHBondContact O-N 2.8Å; S561-E564 VanDerWaalsContact O-N 3.08Å; S561-E564 WeakPolarHBondContact OG-CB 3.41Å; S561-E564 PolarHBondContact OG-N 3.44Å; E564-A566 VanDerWaalsContact C-N 3.31Å; E564-A566 PolarHBondContact O-N 3.09Å; E564-A567 PolarHBondContact O-N 3.4Å; E564-R568 WeakPolarHBondContact O-CG 3.26Å; E564-R568 PolarHBondContact O-N 2.95Å; E564-R568 IonicContact OE1-CZ 2.87Å; E564-R568 IonicContact OE1-NE 3.61Å; E564-R568 PolarHBondContact OE1-NE 3.4Å; E564-R568 IonicContact OE1-NH2 3.32Å
565L97.8Very high97.9Very high19 Ų1960.6 Ų60.610%0.09935%0.354CS..Hα-helixtrans-61.6-39.3175.2-77.4170.5000112.4L540 L558 V560 S561 D562 R568 R569L540-L565 HydrophobicContact CB-CD2 4.24Å; L540-L565 HydrophobicContact CD1-CD2 4.49Å; L558-L565 HydrophobicContact CD2-CD1 4.44Å; L558-L565 HydrophobicContact CD2-CD2 3.53Å; L558-L565 HydrophobicContact CD2-CG 4.44Å; V560-L565 HydrophobicContact CB-CG 4.27Å; V560-L565 HydrophobicContact CG1-CD2 4.39Å; V560-L565 HydrophobicContact CG1-CG 4.01Å; S561-L565 PolarHBondContact O-N 3.32Å; D562-L565 PolarHBondContact O-N 3.29Å; L565-R568 PolarHBondContact O-N 2.95Å; L565-R569 WeakPolarHBondContact O-CB 3.35Å; L565-R569 PolarHBondContact O-N 2.84Å
566A98Very high97.8Very high49 Ų4961.7 Ų61.741%0.40537%0.366SS..Hα-helixtrans-63-45.6174.100000111.5D562 A563 E564 R568 R569 E570D562-A566 WeakPolarHBondContact O-CB 3.27Å; D562-A566 PolarHBondContact O-N 3.3Å; A563-A566 PolarHBondContact O-N 3.39Å; E564-A566 VanDerWaalsContact C-N 3.31Å; E564-A566 PolarHBondContact O-N 3.09Å; A566-R568 PolarHBondContact O-N 3.32Å; A566-R569 WeakPolarHBondContact O-CB 3.25Å; A566-R569 PolarHBondContact O-N 3.25Å; A566-E570 PolarHBondContact O-N 3.45Å
567A98.6Very high97.5Very high46 Ų4670 Ų7038%0.3841%0.41SS..Hα-helixtrans-60.9-42.7176.800000112.3A563 E564 R569 E570 A571A563-A567 PolarHBondContact O-N 3.45Å; E564-A567 PolarHBondContact O-N 3.4Å; A567-R569 VanDerWaalsContact C-N 3.34Å; A567-R569 PolarHBondContact O-N 3.48Å; A567-E570 PolarHBondContact O-N 2.95Å; A567-A571 WeakPolarHBondContact O-CB 3.44Å; A567-A571 PolarHBondContact O-N 3.22Å
568R98.2Very high97.3Very high26 Ų2673.1 Ų73.110%0.09842%0.422CS..Hα-helixtrans-64.5-38.2175.6-69.3-178.9-173.8-175.10.1112.3L540 E542 D545 E564 L565 A566 A571 Q572L540-R568 HydrophobicContact CB-CB 4.4Å; L540-R568 HydrophobicContact CD2-CB 4.32Å; L540-R568 WeakPolarHBondContact O-CD 3.24Å; L540-R568 PolarHBondContact O-NH1 2.66Å; E542-R568 IonicContact OE1-NE 2.85Å; E542-R568 IonicContact OE2-CZ 3.81Å; E542-R568 VanDerWaalsContact OE2-CZ 3.29Å; E542-R568 IonicContact OE2-NE 2.85Å; E542-R568 PolarHBondContact OE2-NE 3Å; E542-R568 IonicContact OE2-NH1 2.67Å; E542-R568 IonicContact OE2-NH2 3.3Å; E542-R568 PolarHBondContact OE2-NH2 2.76Å; D545-R568 IonicContact OD1-CZ 3.89Å; D545-R568 IonicContact OD1-NH1 2.96Å; D545-R568 PolarHBondContact OD1-NH1 3.46Å; D545-R568 IonicContact OD1-NH2 3.86Å; D545-R568 PolarHBondContact OD1-NH2 3.29Å; D545-R568 IonicContact OD2-CZ 3.23Å; D545-R568 IonicContact OD2-NH1 3.52Å; D545-R568 PolarHBondContact OD2-NH1 3.15Å; D545-R568 IonicContact OD2-NH2 3.85Å; E564-R568 WeakPolarHBondContact O-CG 3.26Å; E564-R568 PolarHBondContact O-N 2.95Å; E564-R568 IonicContact OE1-CZ 2.87Å; E564-R568 IonicContact OE1-NE 3.61Å; E564-R568 PolarHBondContact OE1-NE 3.4Å; E564-R568 IonicContact OE1-NH2 3.32Å; L565-R568 PolarHBondContact O-N 2.95Å; A566-R568 PolarHBondContact O-N 3.32Å; R568-A571 PolarHBondContact O-N 2.92Å; R568-Q572 VanDerWaalsContact O-CB 3.31Å; R568-Q572 WeakPolarHBondContact O-CB 3.39Å; R568-Q572 PolarHBondContact O-N 3.15Å
569R98Very high97.3Very high74 Ų7474 Ų7428%0.27943%0.43SS..Hα-helixtrans-62.6-48.3174.9-177.1167.9-72.2-79.41.1111.2G535 S537 L540 L565 A566 A567 A571 Q572 D573 W580G535-R569 PolarHBondContact O-NH1 2.72Å; G535-R569 PolarHBondContact O-NH2 3.09Å; S537-R569 PolarHBondContact OG-NH2 3.13Å; L540-R569 HydrophobicContact CD1-CB 3.86Å; L540-R569 HydrophobicContact CD2-CB 4.43Å; L565-R569 WeakPolarHBondContact O-CB 3.35Å; L565-R569 PolarHBondContact O-N 2.84Å; A566-R569 WeakPolarHBondContact O-CB 3.25Å; A566-R569 PolarHBondContact O-N 3.25Å; A567-R569 VanDerWaalsContact C-N 3.34Å; A567-R569 PolarHBondContact O-N 3.48Å; R569-A571 VanDerWaalsContact C-N 3.32Å; R569-A571 PolarHBondContact O-N 3.39Å; R569-Q572 WeakPolarHBondContact O-CB 3.37Å; R569-Q572 PolarHBondContact O-N 2.86Å; R569-Q572 VanDerWaalsContact O-N 3.12Å; R569-D573 PolarHBondContact O-N 3.27Å; R569-W580 HydrophobicContact CG-CZ2 4.34Å; R569-W580 VanDerWaalsContact NH1-CZ2 3.28Å
570E98.3Very high97.2Very high146 Ų14670.6 Ų70.668%0.68241%0.413SS*.Hα-helixtrans-57.8-45175.3-71.7179.5-179.100111.7A566 A567 Q572 D573 A574A566-E570 PolarHBondContact O-N 3.45Å; A567-E570 PolarHBondContact O-N 2.95Å; E570-Q572 VanDerWaalsContact C-N 3.3Å; E570-Q572 PolarHBondContact O-N 3.4Å; E570-D573 PolarHBondContact O-N 3.01Å; E570-A574 VanDerWaalsContact O-CB 3.31Å; E570-A574 WeakPolarHBondContact O-CB 3.4Å; E570-A574 PolarHBondContact O-N 3.08Å
571A97.8Very high97.1Very high64 Ų6472.3 Ų72.353%0.52942%0.423SS..Hα-helixtrans-62.7-36.1176.600000112.7A567 R568 R569A567-A571 WeakPolarHBondContact O-CB 3.44Å; A567-A571 PolarHBondContact O-N 3.22Å; R568-A571 PolarHBondContact O-N 2.92Å; R569-A571 VanDerWaalsContact C-N 3.32Å; R569-A571 PolarHBondContact O-N 3.39Å
572Q97.6Very high97Very high17 Ų1770.1 Ų70.18%0.07941%0.407CS..Hα-helixtrans-70.8-43.4177.3-179.967.2-5.500111.9Y480 L540 R568 R569 E570 A574 R575 A579 W580Y480-Q572 PolarHBondContact OH-NE2 3.45Å; Y480-Q572 VanDerWaalsContact OH-NE2 3.17Å; L540-Q572 HydrophobicContact CD2-CB 3.97Å; L540-Q572 HydrophobicContact CD2-CG 4.28Å; R568-Q572 VanDerWaalsContact O-CB 3.31Å; R568-Q572 WeakPolarHBondContact O-CB 3.39Å; R568-Q572 PolarHBondContact O-N 3.15Å; R569-Q572 WeakPolarHBondContact O-CB 3.37Å; R569-Q572 PolarHBondContact O-N 2.86Å; R569-Q572 VanDerWaalsContact O-N 3.12Å; E570-Q572 VanDerWaalsContact C-N 3.3Å; E570-Q572 PolarHBondContact O-N 3.4Å; Q572-A574 VanDerWaalsContact C-N 3.29Å; Q572-A574 PolarHBondContact O-N 3.09Å; Q572-R575 WeakPolarHBondContact O-CB 3.24Å; Q572-R575 PolarHBondContact O-N 2.92Å; Q572-A579 VanDerWaalsContact O-CB 3.25Å; Q572-A579 WeakPolarHBondContact O-CB 3.12Å; Q572-W580 HydrophobicContact CB-CZ2 4.36Å; Q572-W580 HydrophobicContact CG-CD2 3.81Å; Q572-W580 HydrophobicContact CG-CE3 3.88Å; Q572-W580 HydrophobicContact CG-CH2 3.95Å; Q572-W580 HydrophobicContact CG-CZ2 3.8Å; Q572-W580 HydrophobicContact CG-CZ3 3.98Å
573D97.2Very high96.8Very high81 Ų8170.4 Ų70.443%0.43340%0.402SS..Hα-helixtrans-65.6-34176.2-70.4-29.4000111.5R569 E570 R575 G576 W580R569-D573 PolarHBondContact O-N 3.27Å; E570-D573 PolarHBondContact O-N 3.01Å; D573-R575 PolarHBondContact O-N 3.23Å; D573-G576 PolarHBondContact O-N 3.43Å; D573-W580 PolarHBondContact OD1-NE1 3.23Å
574A97.5Very high96.4Very high86 Ų8673.6 Ų73.671%0.71141%0.408SS*.THydrogen-bonded Turntrans-63.6-9.4176.100000114.3E570 Q572 G576E570-A574 VanDerWaalsContact O-CB 3.31Å; E570-A574 WeakPolarHBondContact O-CB 3.4Å; E570-A574 PolarHBondContact O-N 3.08Å; Q572-A574 VanDerWaalsContact C-N 3.29Å; Q572-A574 PolarHBondContact O-N 3.09Å; A574-G576 PolarHBondContact O-N 3.03Å
575R96.6Very high96.1Very high66 Ų6672.1 Ų72.125%0.24940%0.399CS..THydrogen-bonded Turntrans-74.3-4.1173.6-65169.358-172-5.8113.7Q572 D573 D577 K578 A579 T581Q572-R575 WeakPolarHBondContact O-CB 3.24Å; Q572-R575 PolarHBondContact O-N 2.92Å; D573-R575 PolarHBondContact O-N 3.23Å; R575-D577 PolarHBondContact O-N 2.84Å; R575-K578 HydrophobicContact CB-CB 4.41Å; R575-K578 PolarHBondContact NE-O 3.38Å; R575-K578 PolarHBondContact NH2-O 2.76Å; R575-K578 PolarHBondContact O-N 3.49Å; R575-A579 HydrophobicContact CB-CB 4.27Å; R575-T581 PolarHBondContact NH1-O 3.43Å; R575-T581 PolarHBondContact NH2-O 2.96Å
576G95.1Very high95.8Very high47 Ų4780.5 Ų80.549%0.48544%0.438SS..G310 helixtrans62.6-129.717600000112.5D573 A574 K578 A579D573-G576 PolarHBondContact O-N 3.43Å; A574-G576 PolarHBondContact O-N 3.03Å; G576-K578 PolarHBondContact O-N 3.4Å; G576-A579 WeakPolarHBondContact O-CB 3.27Å; G576-A579 PolarHBondContact O-N 2.73Å
577D93Very high95.5Very high174 Ų17480.7 Ų80.793%0.9343%0.428SS*.G310 helixtrans-60.5-17.1178.7-63.8-19.2000113.9R575R575-D577 PolarHBondContact O-N 2.84Å
578K94.4Very high95.3Very high151 Ų15187 Ų8766%0.65745%0.45SS*.G310 helixtrans-94.1-0.4174.6-61.7-173.1179.3-176.10112.9R575 G576 T581R575-K578 HydrophobicContact CB-CB 4.41Å; R575-K578 PolarHBondContact NE-O 3.38Å; R575-K578 PolarHBondContact NH2-O 2.76Å; R575-K578 PolarHBondContact O-N 3.49Å; G576-K578 PolarHBondContact O-N 3.4Å; K578-T581 PolarHBondContact O-OG1 2.79Å
579A97Very high95.1Very high20 Ų2087.4 Ų87.417%0.16546%0.455CS..THydrogen-bonded Turntrans-60.1143.2173.800000109.9Q572 R575 G576 T581Q572-A579 VanDerWaalsContact O-CB 3.25Å; Q572-A579 WeakPolarHBondContact O-CB 3.12Å; R575-A579 HydrophobicContact CB-CB 4.27Å; G576-A579 WeakPolarHBondContact O-CB 3.27Å; G576-A579 PolarHBondContact O-N 2.73Å; A579-T581 PolarHBondContact O-N 3.4Å; A579-T581 VanDerWaalsContact O-N 3.11Å
580W97.3Very high95.1Very high35 Ų3585.4 Ų85.413%0.13345%0.452CS..THydrogen-bonded Turntrans57.829176.6-49.3102.7000114.4Y480 G535 L540 R569 Q572 D573Y480-W580 VanDerWaalsContact CE1-C 3.48Å; Y480-W580 VanDerWaalsContact CE1-O 3.3Å; Y480-W580 WeakPolarHBondContact CE1-O 3.37Å; G535-W580 WeakPolarHBondContact O-CH2 3.34Å; L540-W580 HydrophobicContact CD2-CH2 3.74Å; L540-W580 HydrophobicContact CD2-CZ3 4.05Å; L540-W580 HydrophobicContact CG-CH2 4.17Å; L540-W580 HydrophobicContact CG-CZ3 4.4Å; R569-W580 HydrophobicContact CG-CZ2 4.34Å; R569-W580 VanDerWaalsContact NH1-CZ2 3.28Å; Q572-W580 HydrophobicContact CB-CZ2 4.36Å; Q572-W580 HydrophobicContact CG-CD2 3.81Å; Q572-W580 HydrophobicContact CG-CE3 3.88Å; Q572-W580 HydrophobicContact CG-CH2 3.95Å; Q572-W580 HydrophobicContact CG-CZ2 3.8Å; Q572-W580 HydrophobicContact CG-CZ3 3.98Å; D573-W580 PolarHBondContact OD1-NE1 3.23Å
581T96.2Very high95Very high56 Ų5686.7 Ų86.734%0.34446%0.456SS..SBendtrans-120.6152170.465.10000110.7R575 K578 A579R575-T581 PolarHBondContact NH1-O 3.43Å; R575-T581 PolarHBondContact NH2-O 2.96Å; K578-T581 PolarHBondContact O-OG1 2.79Å; A579-T581 PolarHBondContact O-N 3.4Å; A579-T581 VanDerWaalsContact O-N 3.11Å
582P95.7Very high95Very high27 Ų2786.8 Ų86.818%0.17546%0.457CS..  trans-51.6143.5168.4-24.332.3000111.6E456 Y480 R585E456-P582 HydrophobicContact CB-CB 4.18Å; E456-P582 VanDerWaalsContact OE2-CA 3.3Å; E456-P582 WeakPolarHBondContact OE2-CA 3.26Å; Y480-P582 HydrophobicContact CD1-CG 4.4Å; Y480-P582 HydrophobicContact CD2-CB 4.28Å; Y480-P582 HydrophobicContact CD2-CG 3.86Å; Y480-P582 HydrophobicContact CG-CG 3.77Å; P582-R585 HydrophobicContact CB-CB 3.57Å; P582-R585 HydrophobicContact CG-CB 4.16Å
583K91.5Very high95Very high135 Ų13586 Ų8659%0.58745%0.453SS*.SBendtrans-73.5-47.2178.6-67.2-177.9-179.3177.60111.6E456E456-K583 PolarHBondContact OE2-N 3.07Å
584N89.7Confident95Very high145 Ų14589.7 Ų89.778%0.77546%0.461SS*.SBendtrans-126.61.3-167.7-60.6-30.9000114.5E586N584-E586 PolarHBondContact O-N 3.26Å
585R93.7Very high95Very high50 Ų5087.4 Ų87.419%0.18944%0.442CS..  trans-72.1122.6-174.8-172-179.171.4-170.24.7111.9E456 Y480 G485 G486 P582 R587E456-R585 WeakPolarHBondContact O-CD 3.42Å; E456-R585 PolarHBondContact O-NH1 3Å; Y480-R585 PolarHBondContact O-NH1 3.23Å; G485-R585 PolarHBondContact O-NH2 2.82Å; G486-R585 PolarHBondContact O-NH2 3.21Å; P582-R585 HydrophobicContact CB-CB 3.57Å; P582-R585 HydrophobicContact CG-CB 4.16Å; R585-R587 HydrophobicContact CG-CB 4.44Å
586E90Very high95Very high195 Ų19585.2 Ų85.291%0.91143%0.434SS*.  trans-94.7115.1168.4-63.3-169.917700110.3N584N584-E586 PolarHBondContact O-N 3.26Å
587R93.2Very high95.1Very high53 Ų5383.8 Ų83.820%0.242%0.418CS..  trans-146129.5179.1-178.3175.6-73.1178.31.3110.7L91 E481 G486 Q490 R585 V589L91-R587 HydrophobicContact CD1-CG 4.04Å; E481-R587 IonicContact OE1-CZ 3.64Å; E481-R587 IonicContact OE1-NH1 3.59Å; E481-R587 PolarHBondContact OE1-NH1 3.17Å; E481-R587 IonicContact OE1-NH2 3.66Å; E481-R587 PolarHBondContact OE1-NH2 2.89Å; E481-R587 IonicContact OE2-CZ 3.04Å; E481-R587 IonicContact OE2-NH1 2.88Å; E481-R587 PolarHBondContact OE2-NH1 2.55Å; E481-R587 IonicContact OE2-NH2 3.49Å; G486-R587 WeakPolarHBondContact O-CD 3.42Å; G486-R587 PolarHBondContact O-NH1 2.72Å; Q490-R587 VanDerWaalsContact NE2-NH2 3.19Å; R585-R587 HydrophobicContact CG-CB 4.44Å; R587-V589 HydrophobicContact CG-CG2 4.32Å; R587-V589 PolarHBondContact O-N 3.33Å
588Q92.7Very high95.3Very high179 Ų17978.5 Ų78.584%0.83639%0.394SS*.  trans-75.6114.8173-171.8179.26.400110.1
589V95.2Very high95.4Very high35 Ų3573 Ų7321%0.21237%0.372CS..  trans-110.3106.5176.8-169.70000109.8P487 R587 L593 R594P487-V589 HydrophobicContact CG-CG1 3.58Å; R587-V589 HydrophobicContact CG-CG2 4.32Å; R587-V589 PolarHBondContact O-N 3.33Å; V589-L593 HydrophobicContact CG1-CB 3.72Å; V589-L593 HydrophobicContact CG1-CD1 4.48Å; V589-R594 HydrophobicContact CG1-CG 3.79Å; V589-R594 PolarHBondContact O-NE 3.4Å; V589-R594 VanDerWaalsContact O-NE 3.13Å
590S97.1Very high95.4Very high31 Ų3172.1 Ų72.122%0.21737%0.365CS..  trans-66.6164.5179.368.90000112.4Y92 A592 L593 R594Y92-S590 WeakPolarHBondContact OH-CB 3.46Å; Y92-S590 PolarHBondContact OH-OG 3.45Å; S590-A592 VanDerWaalsContact C-N 3.27Å; S590-A592 PolarHBondContact O-N 3.09Å; S590-L593 PolarHBondContact O-N 3.37Å; S590-L593 PolarHBondContact OG-N 3.14Å; S590-R594 WeakPolarHBondContact O-CG 3.45Å; S590-R594 PolarHBondContact O-N 2.79Å
591F97.6Very high95.5Very high174 Ų17471.3 Ų71.376%0.76336%0.364SS*.Hα-helixtrans-58.3-39.5175.8-177.2-100000112.3L593 R594 A595F591-L593 PolarHBondContact O-N 3.03Å; F591-R594 PolarHBondContact O-N 3.09Å; F591-A595 WeakPolarHBondContact O-CB 3.47Å; F591-A595 PolarHBondContact O-N 3.48Å
592A97Very high95.6Very high65 Ų6569.8 Ų69.854%0.53736%0.355SS..Hα-helixtrans-60.4-44.1177.300000112.1S590 A595 Y596S590-A592 VanDerWaalsContact C-N 3.27Å; S590-A592 PolarHBondContact O-N 3.09Å; A592-A595 PolarHBondContact O-N 3.14Å; A592-Y596 PolarHBondContact O-N 2.87Å
593L97.9Very high95.7Very high1 Ų168.7 Ų68.71%0.00535%0.349CS..Hα-helixtrans-67.2-37.9176.8-72.2179.8000112.5L91 Y92 P95 P487 V589 S590 F591 Y596 A597L91-L593 HydrophobicContact CB-CD1 3.86Å; L91-L593 HydrophobicContact CB-CD2 4.21Å; L91-L593 HydrophobicContact CD1-CD1 4.15Å; L91-L593 WeakPolarHBondContact O-CD2 3.37Å; Y92-L593 HydrophobicContact CD1-CD2 3.96Å; Y92-L593 HydrophobicContact CD1-CG 4.19Å; Y92-L593 HydrophobicContact CE1-CD1 4.01Å; Y92-L593 HydrophobicContact CE1-CD2 4.01Å; Y92-L593 HydrophobicContact CE1-CG 3.71Å; Y92-L593 HydrophobicContact CE2-CD1 3.9Å; Y92-L593 HydrophobicContact CE2-CG 4.47Å; Y92-L593 HydrophobicContact CG-CD2 4.31Å; P95-L593 HydrophobicContact CG-CD2 4.18Å; P487-L593 HydrophobicContact CG-CB 3.81Å; V589-L593 HydrophobicContact CG1-CB 3.72Å; V589-L593 HydrophobicContact CG1-CD1 4.48Å; S590-L593 PolarHBondContact O-N 3.37Å; S590-L593 PolarHBondContact OG-N 3.14Å; F591-L593 PolarHBondContact O-N 3.03Å; L593-Y596 PolarHBondContact O-N 3.28Å; L593-A597 WeakPolarHBondContact O-CB 3.42Å; L593-A597 PolarHBondContact O-N 3.48Å
594R97.1Very high96Very high158 Ų15863.5 Ų63.560%0.59633%0.327SS*.Hα-helixtrans-63.6-40.9173.1-68174.9-171.7-111.11.6111.7V589 S590 F591 A597 S598V589-R594 HydrophobicContact CG1-CG 3.79Å; V589-R594 PolarHBondContact O-NE 3.4Å; V589-R594 VanDerWaalsContact O-NE 3.13Å; S590-R594 WeakPolarHBondContact O-CG 3.45Å; S590-R594 PolarHBondContact O-N 2.79Å; F591-R594 PolarHBondContact O-N 3.09Å; R594-A597 PolarHBondContact O-N 2.9Å; R594-S598 WeakPolarHBondContact O-CB 3.49Å; R594-S598 PolarHBondContact O-N 3.38Å
595A96.8Very high96.4Very high39 Ų3961.7 Ų61.732%0.32231%0.313SS..Hα-helixtrans-61.7-47.5176.500000110.9F591 A592 S598 L599F591-A595 WeakPolarHBondContact O-CB 3.47Å; F591-A595 PolarHBondContact O-N 3.48Å; A592-A595 PolarHBondContact O-N 3.14Å; A595-S598 PolarHBondContact O-N 3.32Å; A595-S598 PolarHBondContact O-OG 2.87Å; A595-L599 PolarHBondContact O-N 3.29Å
596Y97.6Very high96.6Very high19 Ų1959.3 Ų59.38%0.07530%0.304CS..Hα-helixtrans-55.3-53.8172.4172.9-93.1000111.6L94 P95 E98 P483 A592 L593 S598 L599 A600L94-Y596 VanDerWaalsContact CD2-OH 3.3Å; L94-Y596 WeakPolarHBondContact CD2-OH 3.47Å; P95-Y596 HydrophobicContact CB-CD1 4.47Å; P95-Y596 HydrophobicContact CB-CD2 3.7Å; P95-Y596 HydrophobicContact CB-CE2 4.17Å; P95-Y596 HydrophobicContact CB-CG 3.86Å; P95-Y596 HydrophobicContact CG-CD1 3.83Å; P95-Y596 HydrophobicContact CG-CD2 3.86Å; P95-Y596 HydrophobicContact CG-CE1 4.06Å; P95-Y596 HydrophobicContact CG-CE2 4.08Å; P95-Y596 HydrophobicContact CG-CG 3.73Å; E98-Y596 HydrophobicContact CG-CD2 4.24Å; E98-Y596 HydrophobicContact CG-CE2 3.97Å; P483-Y596 HydrophobicContact CB-CE1 4.4Å; P483-Y596 WeakPolarHBondContact O-CE1 3.5Å; A592-Y596 PolarHBondContact O-N 2.87Å; L593-Y596 PolarHBondContact O-N 3.28Å; Y596-S598 VanDerWaalsContact C-N 3.26Å; Y596-S598 PolarHBondContact O-N 2.89Å; Y596-L599 CarbonylContact O-C 3.56Å; Y596-L599 PolarHBondContact O-N 2.84Å; Y596-A600 HydrophobicContact CD1-CB 4.41Å; Y596-A600 HydrophobicContact CE1-CB 3.94Å; Y596-A600 PolarHBondContact O-N 2.73Å
597A97.2Very high96.9Very high17 Ų1750 Ų5014%0.1426%0.26CS..Hα-helixtrans-57.5-38.6-178.300000112.7K484 P487 L593 R594 L599K484-A597 WeakPolarHBondContact CG-O 3.38Å; P487-A597 HydrophobicContact CB-CB 3.64Å; P487-A597 HydrophobicContact CG-CB 4.42Å; L593-A597 WeakPolarHBondContact O-CB 3.42Å; L593-A597 PolarHBondContact O-N 3.48Å; R594-A597 PolarHBondContact O-N 2.9Å; A597-L599 PolarHBondContact O-N 2.99Å
598S96.5Very high97.1Very high63 Ų6347.7 Ų47.744%0.44125%0.252SS..Hα-helixtrans-64.6-27.8-179.4740000113.1R594 A595 Y596 K613R594-S598 WeakPolarHBondContact O-CB 3.49Å; R594-S598 PolarHBondContact O-N 3.38Å; A595-S598 PolarHBondContact O-N 3.32Å; A595-S598 PolarHBondContact O-OG 2.87Å; Y596-S598 VanDerWaalsContact C-N 3.26Å; Y596-S598 PolarHBondContact O-N 2.89Å; S598-K613 WeakPolarHBondContact O-CD 3.11Å; S598-K613 PolarHBondContact O-NZ 3.3Å
599L96.9Very high97.3Very high37 Ų3742.4 Ų42.419%0.19422%0.224CC..Hα-helixtrans-106.7-13-176.9-64.8175.7000113.5A595 Y596 A597 T601 R609 D610 K613 L614A595-L599 PolarHBondContact O-N 3.29Å; Y596-L599 CarbonylContact O-C 3.56Å; Y596-L599 PolarHBondContact O-N 2.84Å; A597-L599 PolarHBondContact O-N 2.99Å; L599-T601 PolarHBondContact O-N 3.39Å; L599-R609 HydrophobicContact CB-CB 4.45Å; L599-R609 HydrophobicContact CB-CG 4.21Å; L599-R609 CarbonylContact O-C 3.59Å; L599-R609 WeakPolarHBondContact O-CA 3.39Å; L599-D610 VanDerWaalsContact O-CB 3.25Å; L599-D610 WeakPolarHBondContact O-CB 3.14Å; L599-D610 PolarHBondContact O-N 2.92Å; L599-K613 HydrophobicContact CD2-CB 4.11Å; L599-K613 HydrophobicContact CD2-CD 4.43Å; L599-L614 HydrophobicContact CD1-CD2 4.43Å; L599-L614 HydrophobicContact CD2-CD2 3.81Å; L599-L614 HydrophobicContact CD2-CG 4.18Å
600A97.6Very high97.3Very high1 Ų142.5 Ų42.51%0.00822%0.223CC..BIsolated β-bridgetrans-67131.2-175.600000112.7P483 K484 Y596P483-A600 HydrophobicContact CB-CB 3.76Å; K484-A600 WeakPolarHBondContact CE-O 3.5Å; Y596-A600 HydrophobicContact CD1-CB 4.41Å; Y596-A600 HydrophobicContact CE1-CB 3.94Å; Y596-A600 PolarHBondContact O-N 2.73Å
601T97.9Very high97Very high18 Ų1845 Ų4511%0.1123%0.231CC..PPolyproline II helixtrans-76.7172.5164.762.30000110.8L599 A607 V608 D610L599-T601 PolarHBondContact O-N 3.39Å; T601-A607 WeakPolarHBondContact O-CA 3.29Å; T601-V608 HydrophobicContact CG2-CG2 4.22Å; T601-V608 PolarHBondContact N-O 3.48Å; T601-V608 PolarHBondContact OG1-N 3.25Å; T601-V608 VanDerWaalsContact OG1-N 3.08Å; T601-V608 PolarHBondContact OG1-O 3.13Å; T601-D610 HydrophobicContact CG2-CB 3.7Å
602S98Very high96.8Very high24 Ų2440.9 Ų40.917%0.16822%0.223CC..PPolyproline II helixtrans-66.7158.9175.2-173.70000111.9D604 K605 G606 A607S602-D604 VanDerWaalsContact C-N 3.31Å; S602-D604 WeakPolarHBondContact CB-OD1 3.47Å; S602-D604 PolarHBondContact O-N 3.37Å; S602-D604 PolarHBondContact OG-OD1 3.27Å; S602-K605 CarbonylContact O-C 3.43Å; S602-K605 WeakPolarHBondContact O-CA 3.49Å; S602-K605 PolarHBondContact O-N 2.78Å; S602-G606 PolarHBondContact O-N 3.07Å; S602-A607 PolarHBondContact O-N 2.81Å; S602-A607 VanDerWaalsContact O-N 3.09Å
603A98.3Very high96.6Very high4 Ų442.9 Ų42.93%0.03322%0.22CC..G310 helixtrans-63.6-34.8-178.500000112.8L283 M489 H527 K605 G606L283-A603 HydrophobicContact CD1-CB 4.01Å; L283-A603 WeakPolarHBondContact CD1-O 3.42Å; M489-A603 HydrophobicContact CE-CB 3.34Å; M489-A603 HydrophobicContact SD-CB 3.97Å; H527-A603 HydrophobicContact CB-CB 4.05Å; A603-K605 PolarHBondContact O-N 3.01Å; A603-G606 PolarHBondContact O-N 3.34Å
604D98Very high96.2Very high26 Ų2648.1 Ų48.114%0.13925%0.247CC..G310 helixtrans-60.2-13.6171.467.2-77.2000113.9M298 N432 S529 S602M298-D604 HydrophobicContact CG-CB 3.91Å; N432-D604 HydrophobicContact CB-CB 3.99Å; S529-D604 WeakPolarHBondContact CB-OD1 3.26Å; S529-D604 PolarHBondContact OG-N 2.99Å; S602-D604 VanDerWaalsContact C-N 3.31Å; S602-D604 WeakPolarHBondContact CB-OD1 3.47Å; S602-D604 PolarHBondContact O-N 3.37Å; S602-D604 PolarHBondContact OG-OD1 3.27Å
605K97.6Very high95.4Very high107 Ų10744.3 Ų44.347%0.46526%0.257SS..G310 helixtrans-111.416175.6-53.5-174.8-178.7179.80112.6S602 A603 A607S602-K605 CarbonylContact O-C 3.43Å; S602-K605 WeakPolarHBondContact O-CA 3.49Å; S602-K605 PolarHBondContact O-N 2.78Å; A603-K605 PolarHBondContact O-N 3.01Å; K605-A607 PolarHBondContact O-N 3.04Å
606G97.7Very high93.6Very high0 Ų047.7 Ų47.70%030%0.296CS..THydrogen-bonded Turntrans81.75.5178.200000115.3R97 L283 S602 A603 V608R97-G606 VanDerWaalsContact CZ-O 3.3Å; R97-G606 PolarHBondContact NH1-O 2.88Å; R97-G606 PolarHBondContact NH2-O 3.29Å; L283-G606 VanDerWaalsContact CD1-C 3.46Å; L283-G606 VanDerWaalsContact O-CA 3.29Å; L283-G606 WeakPolarHBondContact O-CA 3.26Å; S602-G606 PolarHBondContact O-N 3.07Å; A603-G606 PolarHBondContact O-N 3.34Å; G606-V608 PolarHBondContact O-N 2.81Å; G606-V608 VanDerWaalsContact O-N 3.13Å
607A97.9Very high93.4Very high0 Ų049.2 Ų49.20%031%0.307CS..THydrogen-bonded Turntrans49.834.7-175.500000113.8L94 R97 L283 P483 T601 S602 K605L94-A607 HydrophobicContact CD2-CB 4.24Å; R97-A607 PolarHBondContact NH2-O 3.44Å; R97-A607 VanDerWaalsContact NH2-O 3.08Å; L283-A607 HydrophobicContact CD1-CB 3.9Å; P483-A607 HydrophobicContact CB-CB 4.22Å; P483-A607 HydrophobicContact CG-CB 3.79Å; T601-A607 WeakPolarHBondContact O-CA 3.29Å; S602-A607 PolarHBondContact O-N 2.81Å; S602-A607 VanDerWaalsContact O-N 3.09Å; K605-A607 PolarHBondContact O-N 3.04Å
608V96.8Very high93.3Very high4 Ų450.8 Ų50.82%0.02432%0.316CS..  trans-75174.9174.8-64.20000110.8M131 A287 Q290 T601 G606M131-V608 HydrophobicContact CE-CG1 3.97Å; A287-V608 VanDerWaalsContact CA-CG1 3.43Å; A287-V608 HydrophobicContact CB-CG1 3.33Å; Q290-V608 HydrophobicContact CB-CG2 4.34Å; Q290-V608 HydrophobicContact CG-CG2 4.3Å; T601-V608 HydrophobicContact CG2-CG2 4.22Å; T601-V608 PolarHBondContact N-O 3.48Å; T601-V608 PolarHBondContact OG1-N 3.25Å; T601-V608 VanDerWaalsContact OG1-N 3.08Å; T601-V608 PolarHBondContact OG1-O 3.13Å; G606-V608 PolarHBondContact O-N 2.81Å; G606-V608 VanDerWaalsContact O-N 3.13Å
609R95.5Very high93.1Very high68 Ų6850.2 Ų50.226%0.25731%0.309SS..BIsolated β-bridgetrans-67.7133.7168.2-67.5-176.1-175.4153.72.7112D102 L599 K611D102-R609 IonicContact OD1-CZ 3.63Å; D102-R609 IonicContact OD1-NH1 2.79Å; D102-R609 PolarHBondContact OD1-NH1 3.05Å; D102-R609 IonicContact OD1-NH2 3.44Å; D102-R609 IonicContact OD2-CZ 3.53Å; D102-R609 IonicContact OD2-NH1 3.76Å; D102-R609 PolarHBondContact OD2-NH1 3.26Å; D102-R609 IonicContact OD2-NH2 3.65Å; D102-R609 PolarHBondContact OD2-NH2 3.13Å; L599-R609 HydrophobicContact CB-CB 4.45Å; L599-R609 HydrophobicContact CB-CG 4.21Å; L599-R609 CarbonylContact O-C 3.59Å; L599-R609 WeakPolarHBondContact O-CA 3.39Å; R609-K611 PolarHBondContact O-N 3.15Å; R609-K611 VanDerWaalsContact O-N 3.07Å
610D95.5Very high92.8Very high37 Ų3750.9 Ų50.920%0.19832%0.315CS..  trans-74.195.6177.6-171.1-8.5000109.8L599 T601 S612 K613L599-D610 VanDerWaalsContact O-CB 3.25Å; L599-D610 WeakPolarHBondContact O-CB 3.14Å; L599-D610 PolarHBondContact O-N 2.92Å; T601-D610 HydrophobicContact CG2-CB 3.7Å; D610-S612 PolarHBondContact O-N 3.33Å; D610-S612 WeakPolarHBondContact OD1-CB 3.45Å; D610-S612 PolarHBondContact OD1-N 3.49Å; D610-S612 PolarHBondContact OD1-OG 2.9Å; D610-K613 HydrophobicContact CB-CD 4.16Å; D610-K613 HydrophobicContact CB-CG 4.12Å; D610-K613 WeakPolarHBondContact O-CB 3.47Å; D610-K613 PolarHBondContact O-N 3.32Å; D610-K613 WeakPolarHBondContact OD2-CE 3.02Å
611K91.9Very high92.5Very high84 Ų8454.1 Ų54.137%0.36534%0.335SS..G310 helixtrans-55.7-31.7179.2-64.1179-179176.30111.8Q290 E291 R609 K613 L614 G615 G616Q290-K611 PolarHBondContact O-NZ 3.28Å; E291-K611 WeakPolarHBondContact OE2-CE 3.36Å; E291-K611 IonicContact OE2-NZ 2.79Å; E291-K611 PolarHBondContact OE2-NZ 2.84Å; R609-K611 PolarHBondContact O-N 3.15Å; R609-K611 VanDerWaalsContact O-N 3.07Å; K611-K613 PolarHBondContact O-N 3.22Å; K611-L614 PolarHBondContact O-N 2.99Å; K611-G615 PolarHBondContact O-N 3.35Å; K611-G616 PolarHBondContact O-N 3.11Å
612S92.9Very high92.2Very high87 Ų8756.5 Ų56.561%0.60835%0.35SS*.G310 helixtrans-64.3-24.9179.676.60000113.2D610 L614D610-S612 PolarHBondContact O-N 3.33Å; D610-S612 WeakPolarHBondContact OD1-CB 3.45Å; D610-S612 PolarHBondContact OD1-N 3.49Å; D610-S612 PolarHBondContact OD1-OG 2.9Å; S612-L614 VanDerWaalsContact C-N 3.3Å
613K93.8Very high91.8Very high106 Ų10658.8 Ų58.846%0.46136%0.363SS..G310 helixtrans-81.1-11174.6-63.5-173-177.6-169.30113.7S598 L599 D610 K611S598-K613 WeakPolarHBondContact O-CD 3.11Å; S598-K613 PolarHBondContact O-NZ 3.3Å; L599-K613 HydrophobicContact CD2-CB 4.11Å; L599-K613 HydrophobicContact CD2-CD 4.43Å; D610-K613 HydrophobicContact CB-CD 4.16Å; D610-K613 HydrophobicContact CB-CG 4.12Å; D610-K613 WeakPolarHBondContact O-CB 3.47Å; D610-K613 PolarHBondContact O-N 3.32Å; D610-K613 WeakPolarHBondContact OD2-CE 3.02Å; K611-K613 PolarHBondContact O-N 3.22Å
614L88.9Confident91.3Very high112 Ų11263 Ų6359%0.58639%0.388SS*.G310 helixtrans-109.410.6-176.4-59.4177.1000112.2L599 K611 S612 G616L599-L614 HydrophobicContact CD1-CD2 4.43Å; L599-L614 HydrophobicContact CD2-CD2 3.81Å; L599-L614 HydrophobicContact CD2-CG 4.18Å; K611-L614 PolarHBondContact O-N 2.99Å; S612-L614 VanDerWaalsContact C-N 3.3Å; L614-G616 VanDerWaalsContact C-N 3.34Å
615G79.1Confident90.7Very high78 Ų7866.1 Ų66.180%0.80441%0.409SS*.THydrogen-bonded Turntrans78.418.2-178.100000114.2K611K611-G615 PolarHBondContact O-N 3.35Å
616G60.7Low90.1Very high110 Ų11062.4 Ų62.4100%1.13440%0.403SS*.  trans-88.10175.100000114.3K611 L614K611-G616 PolarHBondContact O-N 3.11Å; L614-G616 VanDerWaalsContact C-N 3.34Å

Retrieved 616 of 616 residues in 290.1 ms (Link to these results)

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