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Histone-lysine N-methyltransferase SMYD3

Histone methyltransferase. Specifically methylates 'Lys-4' of histone H3, inducing di- and tri-methylation, but not monomethylation. Also methylates 'Lys-5' of histone H4. Plays an important role in transcriptional activation as a member of an RNA polymerase complex. Binds DNA containing 5'-CCCTCC-3' or 5'-GAGGGG-3' sequences.

AlphaFold DB , UniProt , Accession A0A060KTI7, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene SMYD3, Length 369 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
1M94.8Very high96.9Very high119 Ų11978.6 Ų78.659%0.58637%0.365SS*.  0148.10-67.1168.2-65.900110.3K10 Y11 A14M1-K10 CarbonylContact O-C 3.6Å; M1-K10 VanDerWaalsContact O-CA 3.3Å; M1-K10 WeakPolarHBondContact O-CA 3.45Å; M1-Y11 PolarHBondContact N-O 3.4Å; M1-Y11 PolarHBondContact O-N 2.97Å; M1-A14 HydrophobicContact CE-CB 4.42Å
2R96.6Very high97Very high154 Ų15481.6 Ų81.658%0.58140%0.399SS*.BIsolated β-bridgetrans-105.7146.3176.465.4-176.4178.9-176-3.2110.7S4 A9R2-S4 PolarHBondContact O-N 3.39Å; R2-A9 WeakPolarHBondContact CA-O 3.38Å
3C97.7Very high97Very high4 Ų478.3 Ų78.33%0.02739%0.389CS..  trans-56126.6168.1178.10000109.2Q5 R7 A9 Y11C3-Q5 VanDerWaalsContact C-N 3.26Å; C3-Q5 PolarHBondContact O-N 2.96Å; C3-R7 WeakPolarHBondContact O-CA 3.39Å; C3-R7 PolarHBondContact O-N 3.17Å; C3-A9 HydrophobicContact CB-CB 4.24Å; C3-A9 PolarHBondContact N-O 2.72Å; C3-Y11 HydrophobicContact CB-CE2 4.12Å
4S96.8Very high97.1Very high94 Ų9477.4 Ų77.466%0.65740%0.401SS*.THydrogen-bonded Turntrans-67.4-27.8-176.253.90000112.8R2R2-S4 PolarHBondContact O-N 3.39Å
5Q96.9Very high97.2Very high103 Ų10382 Ų8248%0.48142%0.416SS..THydrogen-bonded Turntrans-79.5-64.1-176.9-65.6-175-1.900112.6C3 C28C3-Q5 VanDerWaalsContact C-N 3.26Å; C3-Q5 PolarHBondContact O-N 2.96Å; Q5-C28 VanDerWaalsContact CB-SG 3.6Å; Q5-C28 PolarHBondContact OE1-SG 3.27Å
6C97Very high97.2Very high1 Ų180.2 Ų80.21%0.00741%0.413CS..THydrogen-bonded Turntrans-81.1-28.5-179.168.20000112.3V8 C28 L31 K32 K35C6-V8 HydrophobicContact CB-CB 4.46Å; C6-V8 HydrophobicContact CB-CG2 4.22Å; C6-V8 PolarHBondContact O-N 3.01Å; C6-V8 PolarHBondContact SG-N 3.4Å; C6-V8 VanDerWaalsContact SG-N 3.35Å; C6-C28 WeakPolarHBondContact CB-O 3.23Å; C6-L31 HydrophobicContact CB-CB 4.03Å; C6-K32 HydrophobicContact CB-CB 4.35Å; C6-K35 WeakPolarHBondContact O-CE 3.27Å; C6-K35 PolarHBondContact O-NZ 3.21Å
7R96.4Very high97.3Very high146 Ų14678.7 Ų78.755%0.55140%0.403SS*.SBendtrans53.329.7-169.8-52.3176.3-179.1-175-0.6113.1C3 K35C3-R7 WeakPolarHBondContact O-CA 3.39Å; C3-R7 PolarHBondContact O-N 3.17Å; R7-K35 VanDerWaalsContact C-NZ 3.31Å; R7-K35 PolarHBondContact O-NZ 3.44Å
8V96.4Very high97.3Very high25 Ų2584.2 Ų84.215%0.15242%0.424CS..  trans-111.6-61.3176.5-175.60000109.8C6 K10 L31 K35 Y38C6-V8 HydrophobicContact CB-CB 4.46Å; C6-V8 HydrophobicContact CB-CG2 4.22Å; C6-V8 PolarHBondContact O-N 3.01Å; C6-V8 PolarHBondContact SG-N 3.4Å; C6-V8 VanDerWaalsContact SG-N 3.35Å; V8-K10 PolarHBondContact O-N 3.49Å; V8-L31 HydrophobicContact CB-CB 4.39Å; V8-L31 HydrophobicContact CG1-CD2 4.31Å; V8-L31 HydrophobicContact CG2-CB 4.11Å; V8-K35 HydrophobicContact CG2-CD 4.5Å; V8-Y38 HydrophobicContact CB-CE1 4.2Å; V8-Y38 HydrophobicContact CG1-CD1 3.97Å; V8-Y38 HydrophobicContact CG1-CE1 3.52Å; V8-Y38 HydrophobicContact CG2-CE1 3.64Å
9A97.6Very high97.3Very high10 Ų1087.7 Ų87.78%0.08344%0.436CS..  trans-60.1133.2177.200000110.7R2 C3 Y11R2-A9 WeakPolarHBondContact CA-O 3.38Å; C3-A9 HydrophobicContact CB-CB 4.24Å; C3-A9 PolarHBondContact N-O 2.72Å; A9-Y11 HydrophobicContact CB-CE2 4.14Å; A9-Y11 WeakPolarHBondContact CB-OH 3.45Å
10K98.1Very high97.3Very high177 Ų17784.8 Ų84.877%0.7743%0.426SS*.BIsolated β-bridgetrans-120.9148.3178.2-65.2177.9-174.5173.90109.2M1 V8M1-K10 CarbonylContact O-C 3.6Å; M1-K10 VanDerWaalsContact O-CA 3.3Å; M1-K10 WeakPolarHBondContact O-CA 3.45Å; V8-K10 PolarHBondContact O-N 3.49Å
11Y97.9Very high97.3Very high32 Ų3285.3 Ų85.313%0.12542%0.423CS..  trans-137.9143.3-177.4-49.3-78000110.3M1 C3 A9 Q17 A20 H24M1-Y11 PolarHBondContact N-O 3.4Å; M1-Y11 PolarHBondContact O-N 2.97Å; C3-Y11 HydrophobicContact CB-CE2 4.12Å; A9-Y11 HydrophobicContact CB-CE2 4.14Å; A9-Y11 WeakPolarHBondContact CB-OH 3.45Å; Y11-Q17 HydrophobicContact CD1-CB 4.26Å; Y11-Q17 HydrophobicContact CD2-CB 3.59Å; Y11-Q17 HydrophobicContact CD2-CG 3.59Å; Y11-Q17 HydrophobicContact CE2-CB 4.07Å; Y11-Q17 HydrophobicContact CE2-CG 3.63Å; Y11-Q17 HydrophobicContact CG-CB 3.69Å; Y11-Q17 HydrophobicContact CG-CG 4.2Å; Y11-A20 HydrophobicContact CD1-CB 4.44Å; Y11-A20 HydrophobicContact CE1-CB 3.73Å; Y11-H24 PolarHBondContact OH-CD2 3.21Å
12C97.4Very high97.3Very high114 Ų11485.7 Ų85.777%0.7742%0.424SS*.SBendtrans-72.2-28.5174.761.80000112.8
13S97.8Very high97.2Very high39 Ų3981.7 Ų81.727%0.27341%0.414SS..SBendtrans-150.3162.2-17570.80000112.9K15 C16 Q17S13-K15 PolarHBondContact O-N 3.39Å; S13-C16 PolarHBondContact O-N 3.28Å; S13-C16 PolarHBondContact OG-N 2.85Å; S13-C16 VanDerWaalsContact OG-N 3.16Å; S13-C16 PolarHBondContact OG-SG 2.69Å; S13-C16 VanDerWaalsContact OG-SG 3.36Å; S13-Q17 PolarHBondContact O-N 3.42Å
14A97.9Very high97.2Very high66 Ų6681.5 Ų81.555%0.54541%0.412SS..Hα-helixtrans-65.9-32.4177.300000110.9M1 Q17 K18M1-A14 HydrophobicContact CE-CB 4.42Å; A14-Q17 PolarHBondContact O-N 3.4Å; A14-K18 WeakPolarHBondContact O-CB 3.37Å; A14-K18 PolarHBondContact O-N 2.9Å
15K98.1Very high97.2Very high146 Ų14683 Ų8364%0.63541%0.407SS*.Hα-helixtrans-58.1-49.7171.8-178.3-179.1177.8-177.80111.1S13 K18 K19S13-K15 PolarHBondContact O-N 3.39Å; K15-K18 PolarHBondContact O-N 3.47Å; K15-K19 WeakPolarHBondContact O-CG 3.23Å; K15-K19 PolarHBondContact O-N 3.39Å
16C98Very high97.2Very high53 Ų5381.3 Ų81.336%0.35840%0.396SS..Hα-helixtrans-65.8-41.2178.4-67.90000112S13 K18 K19 A20S13-C16 PolarHBondContact O-N 3.28Å; S13-C16 PolarHBondContact OG-N 2.85Å; S13-C16 VanDerWaalsContact OG-N 3.16Å; S13-C16 PolarHBondContact OG-SG 2.69Å; S13-C16 VanDerWaalsContact OG-SG 3.36Å; C16-K18 PolarHBondContact O-N 3.27Å; C16-K19 PolarHBondContact O-N 3.28Å; C16-A20 VanDerWaalsContact O-CB 3.28Å; C16-A20 WeakPolarHBondContact O-CB 3.35Å; C16-A20 PolarHBondContact O-N 2.97Å
17Q98.2Very high97.2Very high55 Ų5581.3 Ų81.326%0.25740%0.396SS..Hα-helixtrans-60.4-44.9175.6-178.3173.18.300112.2Y11 S13 A14 W21Y11-Q17 HydrophobicContact CD1-CB 4.26Å; Y11-Q17 HydrophobicContact CD2-CB 3.59Å; Y11-Q17 HydrophobicContact CD2-CG 3.59Å; Y11-Q17 HydrophobicContact CE2-CB 4.07Å; Y11-Q17 HydrophobicContact CE2-CG 3.63Å; Y11-Q17 HydrophobicContact CG-CB 3.69Å; Y11-Q17 HydrophobicContact CG-CG 4.2Å; S13-Q17 PolarHBondContact O-N 3.42Å; A14-Q17 PolarHBondContact O-N 3.4Å; Q17-W21 PolarHBondContact O-N 3.45Å
18K97.8Very high97.3Very high178 Ų17874.4 Ų74.477%0.77437%0.37SS*.Hα-helixtrans-65.3-44.8179.4-174.5177.2179.2-179.60111.7A14 K15 C16 W21A14-K18 WeakPolarHBondContact O-CB 3.37Å; A14-K18 PolarHBondContact O-N 2.9Å; K15-K18 PolarHBondContact O-N 3.47Å; C16-K18 PolarHBondContact O-N 3.27Å; K18-W21 WeakPolarHBondContact O-CB 3.46Å; K18-W21 PolarHBondContact O-N 3.28Å
19K97.2Very high97.3Very high151 Ų15178.7 Ų78.766%0.65739%0.387SS*.Hα-helixtrans-63.3-43.7177.8-75.6-170.7172.6-162.10112.4K15 C16 W21K15-K19 WeakPolarHBondContact O-CG 3.23Å; K15-K19 PolarHBondContact O-N 3.39Å; C16-K19 PolarHBondContact O-N 3.28Å; K19-W21 PolarHBondContact O-N 3.18Å
20A97.6Very high97.3Very high29 Ų2978.2 Ų78.224%0.2438%0.383CS..Hα-helixtrans-73.7-9.2-178.400000114Y11 C16 Q22 D23 H24Y11-A20 HydrophobicContact CD1-CB 4.44Å; Y11-A20 HydrophobicContact CE1-CB 3.73Å; C16-A20 VanDerWaalsContact O-CB 3.28Å; C16-A20 WeakPolarHBondContact O-CB 3.35Å; C16-A20 PolarHBondContact O-N 2.97Å; A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.17Å; A20-D23 PolarHBondContact O-N 3.49Å; A20-H24 WeakPolarHBondContact O-CB 3.5Å; A20-H24 PolarHBondContact O-N 3.14Å
21W97.2Very high97.3Very high95 Ų9569.9 Ų69.936%0.3635%0.347SS..Hα-helixtrans-64.2-36.8-172.8-178.6-115.7000112.8Q17 K18 K19 D23 H24 K25 C28Q17-W21 PolarHBondContact O-N 3.45Å; K18-W21 WeakPolarHBondContact O-CB 3.46Å; K18-W21 PolarHBondContact O-N 3.28Å; K19-W21 PolarHBondContact O-N 3.18Å; W21-D23 PolarHBondContact O-N 2.86Å; W21-H24 AromaticContact CE3-CD2 3.91Å; W21-H24 AromaticContact CZ3-CD2 3.78Å; W21-H24 PolarHBondContact O-N 3.09Å; W21-K25 HydrophobicContact CD2-CB 4.29Å; W21-K25 HydrophobicContact CH2-CB 4.44Å; W21-K25 HydrophobicContact CH2-CG 4.37Å; W21-K25 HydrophobicContact CZ2-CB 4.06Å; W21-K25 HydrophobicContact CZ2-CD 4.41Å; W21-K25 HydrophobicContact CZ2-CG 3.78Å; W21-K25 VanDerWaalsContact O-CB 3.23Å; W21-K25 WeakPolarHBondContact O-CB 3.04Å; W21-K25 PolarHBondContact O-N 3.39Å; W21-C28 HydrophobicContact CZ3-CB 4.49Å
22Q94.2Very high97.2Very high128 Ų12874.8 Ų74.860%0.59837%0.369SS*.Hα-helixtrans-55.4-53.1178.1-178.8173.5-14.100110.9A20 H24 E55A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.17Å; Q22-H24 PolarHBondContact O-N 3.28Å; Q22-E55 PolarHBondContact NE2-OE1 3.28Å; Q22-E55 VanDerWaalsContact NE2-OE1 3.17Å
23D95.8Very high97Very high69 Ų6971.3 Ų71.337%0.36935%0.346SS..Hα-helixtrans-79-18.1-178.8-50.2-41.2000113.5A20 W21A20-D23 PolarHBondContact O-N 3.49Å; W21-D23 PolarHBondContact O-N 2.86Å
24H97.9Very high96.7Very high0 Ų070.4 Ų70.40%034%0.339CS..Hα-helixtrans-91.2-27.8-179.4178.855.5000113.5Y11 A20 W21 Q22 R26 E27 C28Y11-H24 PolarHBondContact OH-CD2 3.21Å; A20-H24 WeakPolarHBondContact O-CB 3.5Å; A20-H24 PolarHBondContact O-N 3.14Å; W21-H24 AromaticContact CE3-CD2 3.91Å; W21-H24 AromaticContact CZ3-CD2 3.78Å; W21-H24 PolarHBondContact O-N 3.09Å; Q22-H24 PolarHBondContact O-N 3.28Å; H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.36Å; H24-R26 VanDerWaalsContact O-N 3.13Å; H24-E27 IonicContact CE1-OE1 3.6Å; H24-E27 IonicContact CG-OE1 3.88Å; H24-E27 IonicContact ND1-OE1 2.79Å; H24-E27 PolarHBondContact ND1-OE1 2.89Å; H24-E27 VanDerWaalsContact O-CG 3.28Å; H24-E27 WeakPolarHBondContact O-CG 3.39Å; H24-E27 PolarHBondContact O-N 3.37Å; H24-C28 WeakPolarHBondContact NE2-CB 3.11Å; H24-C28 WeakPolarHBondContact O-CB 3.4Å; H24-C28 PolarHBondContact O-N 3.24Å
25K96.8Very high96.3Very high125 Ų12570.9 Ų70.954%0.54333%0.329SS..THydrogen-bonded Turntrans-51-44.9-166.7177.2-179.4177.1-170.30113.2W21 C28W21-K25 HydrophobicContact CD2-CB 4.29Å; W21-K25 HydrophobicContact CH2-CB 4.44Å; W21-K25 HydrophobicContact CH2-CG 4.37Å; W21-K25 HydrophobicContact CZ2-CB 4.06Å; W21-K25 HydrophobicContact CZ2-CD 4.41Å; W21-K25 HydrophobicContact CZ2-CG 3.78Å; W21-K25 VanDerWaalsContact O-CB 3.23Å; W21-K25 WeakPolarHBondContact O-CB 3.04Å; W21-K25 PolarHBondContact O-N 3.39Å; K25-C28 WeakPolarHBondContact O-CB 3.31Å
26R96.7Very high95.9Very high68 Ų6869.4 Ų69.426%0.25733%0.334SS..THydrogen-bonded Turntrans-74.4-52.3-178.9-63.1-174.470.6-171.8-4.2111.7H24 C28 K29 F51 E99H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.36Å; H24-R26 VanDerWaalsContact O-N 3.13Å; R26-C28 PolarHBondContact O-N 2.81Å; R26-K29 PolarHBondContact O-N 3.39Å; R26-F51 HydrophobicContact CB-CD1 4.18Å; R26-F51 HydrophobicContact CB-CD2 3.64Å; R26-F51 HydrophobicContact CB-CE1 3.95Å; R26-F51 HydrophobicContact CB-CE2 3.41Å; R26-F51 VanDerWaalsContact CB-CE2 3.41Å; R26-F51 HydrophobicContact CB-CG 4.01Å; R26-F51 HydrophobicContact CB-CZ 3.54Å; R26-E99 HydrophobicContact CB-CG 4.28Å; R26-E99 WeakPolarHBondContact CB-OE2 3.17Å; R26-E99 WeakPolarHBondContact CG-OE2 3.15Å; R26-E99 IonicContact CZ-OE2 3.85Å; R26-E99 IonicContact NE-OE2 2.97Å; R26-E99 PolarHBondContact NE-OE2 3.07Å; R26-E99 PolarHBondContact NH2-O 3.01Å; R26-E99 IonicContact NH2-OE2 3.84Å; R26-E99 WeakPolarHBondContact O-CG 3.28Å
27E97.4Very high95.5Very high1 Ų176.9 Ų76.91%0.00536%0.355CS..Hα-helixtrans-61.7-21.8178.265.1152.7-147.800113.2H24 K29 C30 L31 R44 R48 F51H24-E27 IonicContact CE1-OE1 3.6Å; H24-E27 IonicContact CG-OE1 3.88Å; H24-E27 IonicContact ND1-OE1 2.79Å; H24-E27 PolarHBondContact ND1-OE1 2.89Å; H24-E27 VanDerWaalsContact O-CG 3.28Å; H24-E27 WeakPolarHBondContact O-CG 3.39Å; H24-E27 PolarHBondContact O-N 3.37Å; E27-K29 VanDerWaalsContact C-N 3.25Å; E27-K29 PolarHBondContact O-N 3.38Å; E27-C30 WeakPolarHBondContact O-CB 3.43Å; E27-C30 PolarHBondContact O-N 3.1Å; E27-L31 HydrophobicContact CB-CD1 4.46Å; E27-L31 HydrophobicContact CG-CD1 4.19Å; E27-L31 WeakPolarHBondContact O-CB 3.14Å; E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.28Å; E27-L31 PolarHBondContact O-N 3.18Å; E27-R44 IonicContact OE1-CZ 3.55Å; E27-R44 IonicContact OE1-NE 3.57Å; E27-R44 IonicContact OE1-NH2 3.51Å; E27-R44 PolarHBondContact OE1-NH2 2.86Å; E27-R44 IonicContact OE2-CZ 3.23Å; E27-R44 IonicContact OE2-NE 3.03Å; E27-R44 PolarHBondContact OE2-NE 3.22Å; E27-R44 IonicContact OE2-NH2 2.87Å; E27-R48 VanDerWaalsContact CD-NE 3.33Å; E27-R48 IonicContact OE1-CZ 3.69Å; E27-R48 IonicContact OE1-NE 2.7Å; E27-R48 IonicContact OE1-NH2 2.75Å; E27-R48 PolarHBondContact OE1-NH2 2.9Å; E27-R48 IonicContact OE2-CZ 3.78Å; E27-R48 IonicContact OE2-NE 3.54Å; E27-R48 PolarHBondContact OE2-NE 2.99Å; E27-R48 IonicContact OE2-NH2 3.51Å; E27-F51 HydrophobicContact CB-CE2 4.09Å
28C98Very high95.3Very high1 Ų180.7 Ų80.71%0.00737%0.368CS..Hα-helixtrans-57.7-37.4178.8-175.90000112.4Q5 C6 W21 H24 K25 R26 K32Q5-C28 VanDerWaalsContact CB-SG 3.6Å; Q5-C28 PolarHBondContact OE1-SG 3.27Å; C6-C28 WeakPolarHBondContact CB-O 3.23Å; W21-C28 HydrophobicContact CZ3-CB 4.49Å; H24-C28 WeakPolarHBondContact NE2-CB 3.11Å; H24-C28 WeakPolarHBondContact O-CB 3.4Å; H24-C28 PolarHBondContact O-N 3.24Å; K25-C28 WeakPolarHBondContact O-CB 3.31Å; R26-C28 PolarHBondContact O-N 2.81Å; C28-K32 WeakPolarHBondContact O-CB 3.49Å; C28-K32 PolarHBondContact O-N 3.22Å; C28-K32 VanDerWaalsContact O-N 3.15Å
29K96.3Very high95.2Very high116 Ų11673.1 Ų73.150%0.50434%0.337SS..Hα-helixtrans-69.9-46177.3-59.7-167.6-155.9145.70111.4R26 E27 L31 K32 S33 E98 E99R26-K29 PolarHBondContact O-N 3.39Å; E27-K29 VanDerWaalsContact C-N 3.25Å; E27-K29 PolarHBondContact O-N 3.38Å; K29-L31 PolarHBondContact O-N 2.96Å; K29-K32 WeakPolarHBondContact O-CB 3.46Å; K29-K32 PolarHBondContact O-N 2.82Å; K29-K32 VanDerWaalsContact O-N 3.12Å; K29-S33 PolarHBondContact O-N 3.16Å; K29-S33 VanDerWaalsContact O-N 3.13Å; K29-E98 HydrophobicContact CB-CB 4.47Å; K29-E99 WeakPolarHBondContact CD-OE1 3.05Å; K29-E99 WeakPolarHBondContact CE-OE1 3.44Å; K29-E99 IonicContact NZ-OE1 2.69Å; K29-E99 PolarHBondContact NZ-OE1 3.36Å
30C97.1Very high95.2Very high0 Ų068.7 Ų68.70%032%0.324CS..Hα-helixtrans-57.6-45.9175.2-56.60000112.1E27 K32 S33 C34 F95E27-C30 WeakPolarHBondContact O-CB 3.43Å; E27-C30 PolarHBondContact O-N 3.1Å; C30-K32 VanDerWaalsContact C-N 3.25Å; C30-K32 PolarHBondContact O-N 3.32Å; C30-S33 PolarHBondContact O-N 3.24Å; C30-S33 PolarHBondContact O-OG 2.96Å; C30-C34 PolarHBondContact O-N 3.42Å; C30-C34 VanDerWaalsContact O-N 3.13Å; C30-F95 HydrophobicContact CB-CD1 4.48Å; C30-F95 HydrophobicContact CB-CD2 3.97Å; C30-F95 HydrophobicContact CB-CE1 4.09Å; C30-F95 HydrophobicContact CB-CE2 3.52Å; C30-F95 HydrophobicContact CB-CG 4.43Å; C30-F95 HydrophobicContact CB-CZ 3.58Å; C30-F95 VanDerWaalsContact CB-O 3.25Å; C30-F95 WeakPolarHBondContact CB-O 3.47Å; C30-F95 PolarHBondContact SG-O 3.46Å
31L97.4Very high95.2Very high1 Ų173 Ų731%0.00534%0.343CS..Hα-helixtrans-66.9-25.9178-71.5168.8000113.2C6 V8 E27 K29 C34 P39 F95C6-L31 HydrophobicContact CB-CB 4.03Å; V8-L31 HydrophobicContact CB-CB 4.39Å; V8-L31 HydrophobicContact CG1-CD2 4.31Å; V8-L31 HydrophobicContact CG2-CB 4.11Å; E27-L31 HydrophobicContact CB-CD1 4.46Å; E27-L31 HydrophobicContact CG-CD1 4.19Å; E27-L31 WeakPolarHBondContact O-CB 3.14Å; E27-L31 VanDerWaalsContact O-CG 3.29Å; E27-L31 WeakPolarHBondContact O-CG 3.28Å; E27-L31 PolarHBondContact O-N 3.18Å; K29-L31 PolarHBondContact O-N 2.96Å; L31-C34 PolarHBondContact O-SG 3.27Å; L31-P39 HydrophobicContact CD2-CG 4.49Å; L31-F95 HydrophobicContact CD2-CE2 3.93Å; L31-F95 HydrophobicContact CD2-CZ 3.95Å; L31-F95 HydrophobicContact CG-CE2 4.19Å; L31-F95 HydrophobicContact CG-CZ 4.06Å
32K96.4Very high95.3Very high135 Ų13569.7 Ų69.759%0.58733%0.334SS*.Hα-helixtrans-74.2-39.7175-172-175.6176.2-169.80110.8C6 C28 K29 C30C6-K32 HydrophobicContact CB-CB 4.35Å; C28-K32 WeakPolarHBondContact O-CB 3.49Å; C28-K32 PolarHBondContact O-N 3.22Å; C28-K32 VanDerWaalsContact O-N 3.15Å; K29-K32 WeakPolarHBondContact O-CB 3.46Å; K29-K32 PolarHBondContact O-N 2.82Å; K29-K32 VanDerWaalsContact O-N 3.12Å; C30-K32 VanDerWaalsContact C-N 3.25Å; C30-K32 PolarHBondContact O-N 3.32Å
33S94.2Very high95.5Very high41 Ų4163.6 Ų63.629%0.28731%0.306SS..Hα-helixtrans-80.3-19.7-175.964.80000114.1K29 C30K29-S33 PolarHBondContact O-N 3.16Å; K29-S33 VanDerWaalsContact O-N 3.13Å; C30-S33 PolarHBondContact O-N 3.24Å; C30-S33 PolarHBondContact O-OG 2.96Å
34C91.2Very high95.6Very high20 Ų2063.6 Ų63.614%0.13530%0.301CS..SBendtrans-84.8-11.9-179.174.70000114.3C30 L31 R37 F95C30-C34 PolarHBondContact O-N 3.42Å; C30-C34 VanDerWaalsContact O-N 3.13Å; L31-C34 PolarHBondContact O-SG 3.27Å; C34-R37 CarbonylContact C-O 3.6Å; C34-R37 WeakPolarHBondContact CB-O 3.18Å; C34-R37 CarbonylContact O-C 3.54Å; C34-R37 WeakPolarHBondContact O-CA 3.33Å; C34-R37 PolarHBondContact O-N 3.03Å; C34-R37 PolarHBondContact SG-O 2.88Å; C34-F95 HydrophobicContact CB-CD2 4.29Å
35K88.8Confident95.7Very high77 Ų7764.6 Ų64.634%0.33531%0.306SS..THydrogen-bonded Turntrans-58.4139.1-177.2-74.5-170.5165.6-170.30113.1C6 R7 V8C6-K35 WeakPolarHBondContact O-CE 3.27Å; C6-K35 PolarHBondContact O-NZ 3.21Å; R7-K35 VanDerWaalsContact C-NZ 3.31Å; R7-K35 PolarHBondContact O-NZ 3.44Å; V8-K35 HydrophobicContact CG2-CD 4.5Å
36P89.1Confident95.7Very high115 Ų11558.7 Ų58.775%0.74728%0.28SS*.THydrogen-bonded Turncis-87.95.55.635.3-36.8000115
37R90.5Very high95.8Very high210 Ų21055.5 Ų55.579%0.79227%0.268SS*.PPolyproline II helixtrans-92.5124-175-63.1-179.8-179.2170.2-0.3110.4C34C34-R37 CarbonylContact C-O 3.6Å; C34-R37 WeakPolarHBondContact CB-O 3.18Å; C34-R37 CarbonylContact O-C 3.54Å; C34-R37 WeakPolarHBondContact O-CA 3.33Å; C34-R37 PolarHBondContact O-N 3.03Å; C34-R37 PolarHBondContact SG-O 2.88Å
38Y93.8Very high95.8Very high134 Ų13459.2 Ų59.253%0.52528%0.282SS..PPolyproline II helixtrans-93.1141.3178.6-63.4-74000110.3V8V8-Y38 HydrophobicContact CB-CE1 4.2Å; V8-Y38 HydrophobicContact CG1-CD1 3.97Å; V8-Y38 HydrophobicContact CG1-CE1 3.52Å; V8-Y38 HydrophobicContact CG2-CE1 3.64Å
39P96.1Very high95.8Very high19 Ų1960 Ų6012%0.12329%0.287CS..PPolyproline II helixtrans-68.1156.6176.232.1-37.2000110.5L31 V43 R44 F95L31-P39 HydrophobicContact CD2-CG 4.49Å; P39-V43 HydrophobicContact CB-CB 4.15Å; P39-V43 HydrophobicContact CB-CG1 3.95Å; P39-R44 HydrophobicContact CG-CB 4.27Å; P39-F95 HydrophobicContact CB-CD2 4.12Å; P39-F95 HydrophobicContact CB-CE2 4.41Å; P39-F95 HydrophobicContact CB-CG 4.18Å; P39-F95 HydrophobicContact CG-CD2 3.94Å; P39-F95 HydrophobicContact CG-CE1 4.36Å; P39-F95 HydrophobicContact CG-CE2 3.73Å; P39-F95 HydrophobicContact CG-CG 4.35Å; P39-F95 HydrophobicContact CG-CZ 3.96Å
40P97.6Very high95.9Very high59 Ų5954.5 Ų54.538%0.38326%0.263SS..PPolyproline II helixtrans-54.5151.1165.7-2332.9000111.9S42 V43 R44 L88 T91P40-S42 VanDerWaalsContact C-N 3.28Å; P40-S42 PolarHBondContact O-N 2.79Å; P40-V43 HydrophobicContact CB-CG2 4.15Å; P40-V43 HydrophobicContact CG-CG2 4.06Å; P40-V43 WeakPolarHBondContact O-CB 3.19Å; P40-V43 PolarHBondContact O-N 3.25Å; P40-R44 PolarHBondContact O-N 3.22Å; P40-R44 VanDerWaalsContact O-N 3.1Å; P40-L88 HydrophobicContact CB-CD2 4.38Å; P40-L88 HydrophobicContact CG-CD2 4.28Å; P40-T91 HydrophobicContact CG-CG2 4.4Å
41D97.8Very high95.8Very high120 Ų12055.2 Ų55.264%0.64227%0.266SS*.Hα-helixtrans-60.4-38.3-178.2-68.7-28.4000112.3V43 R44 L45 V136D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 3.06Å; D41-R44 PolarHBondContact O-N 3.13Å; D41-L45 VanDerWaalsContact O-CB 3.26Å; D41-L45 WeakPolarHBondContact O-CB 3.47Å; D41-L45 PolarHBondContact O-N 2.88Å; D41-V136 HydrophobicContact CB-CG1 4.06Å
42S98.2Very high95.7Very high25 Ų2558.7 Ų58.718%0.17528%0.281CS..Hα-helixtrans-60.3-38.8174.858.20000112.7P40 L46P40-S42 VanDerWaalsContact C-N 3.28Å; P40-S42 PolarHBondContact O-N 2.79Å; S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 PolarHBondContact O-N 2.93Å
43V98.5Very high95.6Very high0 Ų054.1 Ų54.10%026%0.263CS..Hα-helixtrans-67.4-44.2177.5171.90000110.5P39 P40 D41 G47 L88 T91 F92 F95 F116P39-V43 HydrophobicContact CB-CB 4.15Å; P39-V43 HydrophobicContact CB-CG1 3.95Å; P40-V43 HydrophobicContact CB-CG2 4.15Å; P40-V43 HydrophobicContact CG-CG2 4.06Å; P40-V43 WeakPolarHBondContact O-CB 3.19Å; P40-V43 PolarHBondContact O-N 3.25Å; D41-V43 VanDerWaalsContact C-N 3.32Å; D41-V43 PolarHBondContact O-N 3.06Å; V43-G47 PolarHBondContact O-N 2.98Å; V43-L88 HydrophobicContact CG2-CD2 3.98Å; V43-T91 HydrophobicContact CG1-CG2 4.46Å; V43-T91 HydrophobicContact CG2-CG2 3.97Å; V43-F92 HydrophobicContact CG1-CB 4.16Å; V43-F92 HydrophobicContact CG1-CD2 4.24Å; V43-F95 HydrophobicContact CG1-CB 4.11Å; V43-F95 HydrophobicContact CG1-CD1 3.85Å; V43-F95 HydrophobicContact CG1-CG 4.22Å; V43-F116 HydrophobicContact CB-CZ 4.4Å; V43-F116 HydrophobicContact CG2-CE1 4.15Å; V43-F116 HydrophobicContact CG2-CZ 3.83Å
44R98.5Very high95.5Very high69 Ų6955.9 Ų55.926%0.2627%0.268SS..Hα-helixtrans-67.3-40.3178.2-170.2176.9-179.3-167.6-2.9111.9E27 P39 P40 D41 G47 R48E27-R44 IonicContact OE1-CZ 3.55Å; E27-R44 IonicContact OE1-NE 3.57Å; E27-R44 IonicContact OE1-NH2 3.51Å; E27-R44 PolarHBondContact OE1-NH2 2.86Å; E27-R44 IonicContact OE2-CZ 3.23Å; E27-R44 IonicContact OE2-NE 3.03Å; E27-R44 PolarHBondContact OE2-NE 3.22Å; E27-R44 IonicContact OE2-NH2 2.87Å; P39-R44 HydrophobicContact CG-CB 4.27Å; P40-R44 PolarHBondContact O-N 3.22Å; P40-R44 VanDerWaalsContact O-N 3.1Å; D41-R44 PolarHBondContact O-N 3.13Å; R44-G47 PolarHBondContact O-N 2.84Å; R44-R48 PolarHBondContact O-N 3.41Å
45L98.7Very high95.3Very high21 Ų2157.5 Ų57.511%0.1127%0.274CS..Hα-helixtrans-60.3-51.8174.9177.460.1000110.6D41 G47 R48 V49 V119 V136 L138D41-L45 VanDerWaalsContact O-CB 3.26Å; D41-L45 WeakPolarHBondContact O-CB 3.47Å; D41-L45 PolarHBondContact O-N 2.88Å; L45-G47 PolarHBondContact O-N 3.15Å; L45-R48 WeakPolarHBondContact O-CA 3.31Å; L45-R48 WeakPolarHBondContact O-CB 3.16Å; L45-R48 PolarHBondContact O-N 3.27Å; L45-V49 WeakPolarHBondContact O-CG2 3.38Å; L45-V49 PolarHBondContact O-N 3.36Å; L45-V119 HydrophobicContact CD2-CG1 4.31Å; L45-V136 HydrophobicContact CD2-CG1 4.22Å; L45-V136 HydrophobicContact CD2-CG2 4Å; L45-L138 HydrophobicContact CD2-CG 4.22Å
46L98.6Very high94.9Very high0 Ų063.3 Ų63.30%030%0.302CS..Hα-helixtrans-60.5-35.5178.6-175.160.9000112S42 R48 V49 V50 F67 F92 F110 I112 A115 F116 V119S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 PolarHBondContact O-N 2.93Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 2.75Å; L46-V49 HydrophobicContact CD1-CB 4.33Å; L46-V49 WeakPolarHBondContact O-CB 3.16Å; L46-V49 PolarHBondContact O-N 2.6Å; L46-V50 WeakPolarHBondContact O-CG2 3.13Å; L46-V50 PolarHBondContact O-N 3.42Å; L46-F67 HydrophobicContact CD1-CZ 4.27Å; L46-F92 HydrophobicContact CB-CD2 4.19Å; L46-F92 HydrophobicContact CB-CE2 4.02Å; L46-F92 HydrophobicContact CD2-CD2 3.92Å; L46-F92 HydrophobicContact CD2-CE2 3.95Å; L46-F92 HydrophobicContact CD2-CG 4.46Å; L46-F92 HydrophobicContact CG-CD2 4.1Å; L46-F92 HydrophobicContact CG-CE2 3.72Å; L46-F92 HydrophobicContact CG-CZ 4.39Å; L46-F110 HydrophobicContact CD1-CE1 4.48Å; L46-F110 HydrophobicContact CD1-CZ 4.01Å; L46-I112 HydrophobicContact CD2-CG2 4.13Å; L46-A115 HydrophobicContact CD1-CB 3.76Å; L46-A115 HydrophobicContact CD2-CB 4.2Å; L46-F116 HydrophobicContact CB-CE1 4.12Å; L46-F116 HydrophobicContact CB-CZ 4.26Å; L46-F116 HydrophobicContact CD2-CD1 3.96Å; L46-F116 HydrophobicContact CD2-CD2 3.69Å; L46-F116 HydrophobicContact CD2-CE1 3.73Å; L46-F116 HydrophobicContact CD2-CE2 3.44Å; L46-F116 VanDerWaalsContact CD2-CE2 3.44Å; L46-F116 HydrophobicContact CD2-CG 3.92Å; L46-F116 HydrophobicContact CD2-CZ 3.45Å; L46-F116 VanDerWaalsContact CD2-CZ 3.45Å; L46-F116 HydrophobicContact CG-CZ 4.48Å; L46-V119 HydrophobicContact CD1-CG2 4.24Å
47G97.9Very high95Very high1 Ų162 Ų621%0.0129%0.292CS..Hα-helixtrans-60.2-40.9174.900000112.3V43 R44 L45 F51V43-G47 PolarHBondContact O-N 2.98Å; R44-G47 PolarHBondContact O-N 2.84Å; L45-G47 PolarHBondContact O-N 3.15Å; G47-F51 WeakPolarHBondContact O-CD2 3.34Å; G47-F51 VanDerWaalsContact O-CG 3.23Å; G47-F51 WeakPolarHBondContact O-CG 3.48Å; G47-F51 PolarHBondContact O-N 3.44Å; G47-F51 VanDerWaalsContact O-N 3.1Å
48R98.2Very high95Very high79 Ų7957.7 Ų57.730%0.29829%0.291SS..Hα-helixtrans-68.7-38.9174.9-72.3174.9162.9-92.2-1.9112.4E27 R44 L45 L46 F51 K52E27-R48 VanDerWaalsContact CD-NE 3.33Å; E27-R48 IonicContact OE1-CZ 3.69Å; E27-R48 IonicContact OE1-NE 2.7Å; E27-R48 IonicContact OE1-NH2 2.75Å; E27-R48 PolarHBondContact OE1-NH2 2.9Å; E27-R48 IonicContact OE2-CZ 3.78Å; E27-R48 IonicContact OE2-NE 3.54Å; E27-R48 PolarHBondContact OE2-NE 2.99Å; E27-R48 IonicContact OE2-NH2 3.51Å; R44-R48 PolarHBondContact O-N 3.41Å; L45-R48 WeakPolarHBondContact O-CA 3.31Å; L45-R48 WeakPolarHBondContact O-CB 3.16Å; L45-R48 PolarHBondContact O-N 3.27Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 2.75Å; R48-F51 PolarHBondContact O-N 2.74Å; R48-K52 VanDerWaalsContact O-CB 3.31Å; R48-K52 WeakPolarHBondContact O-CB 3.32Å; R48-K52 PolarHBondContact O-N 3.18Å
49V97.8Very high95Very high18 Ų1852.8 Ų52.811%0.10928%0.276CS..Hα-helixtrans-58.3-51174.2173.60000110.4L45 L46 F51 K52 L53 F67 L138L45-V49 WeakPolarHBondContact O-CG2 3.38Å; L45-V49 PolarHBondContact O-N 3.36Å; L46-V49 HydrophobicContact CD1-CB 4.33Å; L46-V49 WeakPolarHBondContact O-CB 3.16Å; L46-V49 PolarHBondContact O-N 2.6Å; V49-F51 VanDerWaalsContact C-N 3.33Å; V49-F51 PolarHBondContact O-N 3.13Å; V49-K52 PolarHBondContact O-N 3.24Å; V49-L53 HydrophobicContact CG1-CD1 3.76Å; V49-L53 HydrophobicContact CG1-CG 4.18Å; V49-L53 WeakPolarHBondContact O-CG 3.41Å; V49-L53 PolarHBondContact O-N 2.73Å; V49-F67 HydrophobicContact CG1-CD1 4.31Å; V49-F67 HydrophobicContact CG1-CD2 3.78Å; V49-F67 HydrophobicContact CG1-CE1 4.32Å; V49-F67 HydrophobicContact CG1-CE2 3.78Å; V49-F67 HydrophobicContact CG1-CG 4.05Å; V49-F67 HydrophobicContact CG1-CZ 4.06Å; V49-L138 HydrophobicContact CG2-CD1 3.47Å; V49-L138 VanDerWaalsContact CG2-CD1 3.47Å
50V97.2Very high94.9Very high0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-57.9-46.3178.6164.90000111L46 K52 L53 M54 F92 I100 L106 F110L46-V50 WeakPolarHBondContact O-CG2 3.13Å; L46-V50 PolarHBondContact O-N 3.42Å; V50-K52 VanDerWaalsContact C-N 3.29Å; V50-K52 PolarHBondContact O-N 2.82Å; V50-L53 PolarHBondContact O-N 2.79Å; V50-M54 WeakPolarHBondContact O-CG 3.28Å; V50-M54 PolarHBondContact O-N 3.27Å; V50-F92 HydrophobicContact CG2-CZ 4.01Å; V50-I100 HydrophobicContact CG1-CD1 3.53Å; V50-L106 HydrophobicContact CG1-CD2 3.94Å; V50-L106 HydrophobicContact CG2-CD2 4.32Å; V50-F110 HydrophobicContact CG2-CD1 4.42Å; V50-F110 HydrophobicContact CG2-CE1 3.64Å; V50-F110 HydrophobicContact CG2-CE2 4.39Å; V50-F110 HydrophobicContact CG2-CZ 3.62Å
51F95.7Very high94.9Very high16 Ų1658.7 Ų58.77%0.0730%0.302CS..Hα-helixtrans-64.1-35.3177.2-61.9-29.9000113R26 E27 G47 R48 V49 M96 E99 I100R26-F51 HydrophobicContact CB-CD1 4.18Å; R26-F51 HydrophobicContact CB-CD2 3.64Å; R26-F51 HydrophobicContact CB-CE1 3.95Å; R26-F51 HydrophobicContact CB-CE2 3.41Å; R26-F51 VanDerWaalsContact CB-CE2 3.41Å; R26-F51 HydrophobicContact CB-CG 4.01Å; R26-F51 HydrophobicContact CB-CZ 3.54Å; E27-F51 HydrophobicContact CB-CE2 4.09Å; G47-F51 WeakPolarHBondContact O-CD2 3.34Å; G47-F51 VanDerWaalsContact O-CG 3.23Å; G47-F51 WeakPolarHBondContact O-CG 3.48Å; G47-F51 PolarHBondContact O-N 3.44Å; G47-F51 VanDerWaalsContact O-N 3.1Å; R48-F51 PolarHBondContact O-N 2.74Å; V49-F51 VanDerWaalsContact C-N 3.33Å; V49-F51 PolarHBondContact O-N 3.13Å; F51-M96 HydrophobicContact CD1-CE 4.26Å; F51-M96 HydrophobicContact CD2-CE 4.47Å; F51-M96 HydrophobicContact CE1-CE 3.46Å; F51-M96 VanDerWaalsContact CE1-CE 3.46Å; F51-M96 HydrophobicContact CE2-CE 3.68Å; F51-M96 HydrophobicContact CE2-SD 4.49Å; F51-M96 HydrophobicContact CZ-CE 3.13Å; F51-M96 HydrophobicContact CZ-SD 4.16Å; F51-E99 HydrophobicContact CE1-CB 4.03Å; F51-E99 HydrophobicContact CZ-CB 3.82Å; F51-E99 HydrophobicContact CZ-CG 4.14Å; F51-I100 HydrophobicContact CE1-CD1 4.1Å; F51-I100 HydrophobicContact CE1-CG1 4.21Å
52K95.8Very high94.9Very high73 Ų7355.2 Ų55.232%0.31728%0.282SS..Hα-helixtrans-71.2-42.3179.3-170.763.5-178.6171.40112.5R48 V49 V50 M54 E55R48-K52 VanDerWaalsContact O-CB 3.31Å; R48-K52 WeakPolarHBondContact O-CB 3.32Å; R48-K52 PolarHBondContact O-N 3.18Å; V49-K52 PolarHBondContact O-N 3.24Å; V50-K52 VanDerWaalsContact C-N 3.29Å; V50-K52 PolarHBondContact O-N 2.82Å; K52-M54 PolarHBondContact O-N 3.41Å; K52-E55 WeakPolarHBondContact CD-OE2 3.49Å; K52-E55 IonicContact NZ-OE2 2.72Å; K52-E55 PolarHBondContact NZ-OE2 3.09Å; K52-E55 WeakPolarHBondContact O-CB 3.43Å; K52-E55 PolarHBondContact O-N 3.07Å; K52-E55 VanDerWaalsContact O-N 3.09Å
53L94.6Very high94.8Very high40 Ų4061.6 Ų61.621%0.20931%0.307CS..Hα-helixtrans-66.7-19.8177.2-70.3176.1000113.3V49 V50 F67 Y68 P107 F110V49-L53 HydrophobicContact CG1-CD1 3.76Å; V49-L53 HydrophobicContact CG1-CG 4.18Å; V49-L53 WeakPolarHBondContact O-CG 3.41Å; V49-L53 PolarHBondContact O-N 2.73Å; V50-L53 PolarHBondContact O-N 2.79Å; L53-F67 HydrophobicContact CD1-CB 4.41Å; L53-F67 HydrophobicContact CD1-CD1 3.79Å; L53-F67 HydrophobicContact CD1-CE1 4.42Å; L53-F67 HydrophobicContact CD1-CG 4.2Å; L53-F67 HydrophobicContact CD2-CB 4.37Å; L53-Y68 HydrophobicContact CD1-CE2 4.48Å; L53-Y68 HydrophobicContact CD2-CE2 4.39Å; L53-P107 HydrophobicContact CB-CB 4.39Å; L53-P107 HydrophobicContact CB-CG 3.73Å; L53-P107 HydrophobicContact CD1-CG 4.12Å; L53-F110 HydrophobicContact CD1-CD2 4.4Å; L53-F110 HydrophobicContact CD1-CE2 3.8Å
54M90.5Very high94.8Very high78 Ų7867.1 Ų67.138%0.38434%0.335SS..THydrogen-bonded Turntrans-87.7-4.1175.3-64.9-64.8-71.800113V50 K52 P107V50-M54 WeakPolarHBondContact O-CG 3.28Å; V50-M54 PolarHBondContact O-N 3.27Å; K52-M54 PolarHBondContact O-N 3.41Å; M54-P107 HydrophobicContact CG-CG 4.2Å; M54-P107 VanDerWaalsContact SD-CA 3.55Å; M54-P107 HydrophobicContact SD-CB 4.2Å; M54-P107 HydrophobicContact SD-CG 3.95Å; M54-P107 VanDerWaalsContact SD-N 3.39Å
55E87.8Confident94.8Very high54 Ų5467.5 Ų67.525%0.25234%0.337SS..SBendtrans-79.2148.7171.2-60.4-170.4148.400110.5Q22 K52 T57Q22-E55 PolarHBondContact NE2-OE1 3.28Å; Q22-E55 VanDerWaalsContact NE2-OE1 3.17Å; K52-E55 WeakPolarHBondContact CD-OE2 3.49Å; K52-E55 IonicContact NZ-OE2 2.72Å; K52-E55 PolarHBondContact NZ-OE2 3.09Å; K52-E55 WeakPolarHBondContact O-CB 3.43Å; K52-E55 PolarHBondContact O-N 3.07Å; K52-E55 VanDerWaalsContact O-N 3.09Å; E55-T57 VanDerWaalsContact C-N 3.28Å; E55-T57 PolarHBondContact O-N 3.38Å
56E81.1Confident94.7Very high198 Ų19867.8 Ų67.893%0.92534%0.341SS*.SBendtrans-70.9-23.1-179.5-65.7180176.300113.3P58E56-P58 WeakPolarHBondContact O-CD 3.43Å
57T89.9Confident94.7Very high88 Ų8868 Ų6854%0.5434%0.342SS..SBendtrans-88.5117.8-176.252.20000110.9E55E55-T57 VanDerWaalsContact C-N 3.28Å; E55-T57 PolarHBondContact O-N 3.38Å
58P90.3Very high94.7Very high119 Ų11972.6 Ų72.677%0.77336%0.36SS*.PPolyproline II helixtrans-59.1148.3173.8-22.834.4000111.9E56E56-P58 WeakPolarHBondContact O-CD 3.43Å
59S94Very high94.7Very high32 Ų3272.7 Ų72.722%0.22437%0.366CS..PPolyproline II helixtrans-85.4132177.5-171.60000111.4S61 E62S59-S61 PolarHBondContact O-N 3.39Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S59-S61 PolarHBondContact OG-N 3.17Å; S59-S61 PolarHBondContact OG-OG 2.92Å; S59-E62 WeakPolarHBondContact O-CB 3.44Å; S59-E62 PolarHBondContact O-N 3.43Å
60E95.1Very high94.7Very high159 Ų15972 Ų7274%0.74336%0.362SS*.G310 helixtrans-59.3-24.3171.6-72.8-63.8131.300112.8E62 K63E60-E62 PolarHBondContact O-N 3.02Å; E60-K63 WeakPolarHBondContact O-CB 3.24Å; E60-K63 PolarHBondContact O-N 3.22Å
61S96.4Very high94.8Very high43 Ų4376.8 Ų76.830%0.30138%0.384SS..G310 helixtrans-64.3-17174.664.90000113.4S59 S141S59-S61 PolarHBondContact O-N 3.39Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S59-S61 PolarHBondContact OG-N 3.17Å; S59-S61 PolarHBondContact OG-OG 2.92Å; S61-S141 VanDerWaalsContact O-CB 3.31Å; S61-S141 WeakPolarHBondContact O-CB 3.36Å; S61-S141 PolarHBondContact O-N 3.34Å; S61-S141 PolarHBondContact O-OG 3.15Å
62E97.4Very high94.9Very high47 Ų4776.9 Ų76.922%0.2239%0.387CS..G310 helixtrans-102.510.1-177.5-64.9-176.3119.900113.2S59 E60 L64 Y65 F67 P140S59-E62 WeakPolarHBondContact O-CB 3.44Å; S59-E62 PolarHBondContact O-N 3.43Å; E60-E62 PolarHBondContact O-N 3.02Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.27Å; E62-Y65 CarbonylContact C-O 3.54Å; E62-Y65 WeakPolarHBondContact CA-O 3.31Å; E62-Y65 CarbonylContact O-C 3.54Å; E62-Y65 PolarHBondContact O-N 2.97Å; E62-F67 WeakPolarHBondContact OE1-CB 3.47Å; E62-F67 PolarHBondContact OE1-N 2.93Å; E62-P140 HydrophobicContact CG-CB 4.13Å; E62-P140 HydrophobicContact CG-CG 3.95Å
63K97.5Very high95Very high159 Ų15974 Ų7469%0.69138%0.375SS*.SBendtrans-56.9-39.4-174.8179.8175.8179.6175.10114.6E60 S141E60-K63 WeakPolarHBondContact O-CB 3.24Å; E60-K63 PolarHBondContact O-N 3.22Å; K63-S141 PolarHBondContact N-OG 3.4Å
64L98.1Very high95.1Very high116 Ų11674.8 Ų74.861%0.60738%0.379SS*.SBendtrans-99.3-24.1-179.1-55179.3000112.5E62 S141 L144E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.27Å; L64-S141 PolarHBondContact N-OG 2.93Å; L64-L144 HydrophobicContact CB-CD1 3.79Å
65Y97.9Very high95.5Very high76 Ų7677.8 Ų77.830%0.29840%0.397SS..SBendtrans-161.5134.1-173.6-147.7-124.8000109.2E62 D69 L70 P140 L144E62-Y65 CarbonylContact C-O 3.54Å; E62-Y65 WeakPolarHBondContact CA-O 3.31Å; E62-Y65 CarbonylContact O-C 3.54Å; E62-Y65 PolarHBondContact O-N 2.97Å; Y65-D69 HydrophobicContact CD1-CB 3.94Å; Y65-D69 HydrophobicContact CD2-CB 3.76Å; Y65-D69 HydrophobicContact CE1-CB 3.59Å; Y65-D69 WeakPolarHBondContact CE1-O 3.48Å; Y65-D69 HydrophobicContact CE2-CB 3.41Å; Y65-D69 VanDerWaalsContact CE2-CB 3.41Å; Y65-D69 HydrophobicContact CG-CB 4.01Å; Y65-D69 PolarHBondContact OH-O 3.42Å; Y65-L70 HydrophobicContact CD1-CD2 4.02Å; Y65-L70 HydrophobicContact CE1-CD2 4.29Å; Y65-P140 WeakPolarHBondContact O-CB 3.44Å; Y65-L144 HydrophobicContact CD1-CD2 4.05Å; Y65-L144 HydrophobicContact CD1-CG 4.25Å; Y65-L144 HydrophobicContact CD2-CD2 3.53Å; Y65-L144 HydrophobicContact CD2-CG 4.15Å; Y65-L144 HydrophobicContact CE1-CD2 4.3Å; Y65-L144 HydrophobicContact CE2-CD2 3.79Å; Y65-L144 HydrophobicContact CG-CD1 4.38Å; Y65-L144 HydrophobicContact CG-CD2 3.66Å; Y65-L144 HydrophobicContact CG-CG 3.84Å
66S97.9Very high95.9Very high27 Ų2780.4 Ų80.419%0.18941%0.407CS..  trans-96.7168.8-177.6770000112.9Y68 D69 L70S66-Y68 PolarHBondContact O-N 3.2Å; S66-Y68 PolarHBondContact OG-N 2.84Å; S66-D69 VanDerWaalsContact CB-OD2 3.28Å; S66-D69 WeakPolarHBondContact CB-OD2 3.25Å; S66-D69 PolarHBondContact N-OD2 2.7Å; S66-D69 PolarHBondContact O-N 3.01Å; S66-D69 VanDerWaalsContact O-N 3.13Å; S66-D69 VanDerWaalsContact OG-CG 3.25Å; S66-D69 PolarHBondContact OG-N 3.02Å; S66-D69 PolarHBondContact OG-OD2 3.24Å; S66-L70 PolarHBondContact O-N 3.29Å
67F98Very high96.7Very high5 Ų572 Ų722%0.02237%0.368CS..THydrogen-bonded Turntrans-55.9-34.8170-179-94.9000112.4L46 V49 L53 E62 D69 L70 F110 A115 K118 L138L46-F67 HydrophobicContact CD1-CZ 4.27Å; V49-F67 HydrophobicContact CG1-CD1 4.31Å; V49-F67 HydrophobicContact CG1-CD2 3.78Å; V49-F67 HydrophobicContact CG1-CE1 4.32Å; V49-F67 HydrophobicContact CG1-CE2 3.78Å; V49-F67 HydrophobicContact CG1-CG 4.05Å; V49-F67 HydrophobicContact CG1-CZ 4.06Å; L53-F67 HydrophobicContact CD1-CB 4.41Å; L53-F67 HydrophobicContact CD1-CD1 3.79Å; L53-F67 HydrophobicContact CD1-CE1 4.42Å; L53-F67 HydrophobicContact CD1-CG 4.2Å; L53-F67 HydrophobicContact CD2-CB 4.37Å; E62-F67 WeakPolarHBondContact OE1-CB 3.47Å; E62-F67 PolarHBondContact OE1-N 2.93Å; F67-D69 VanDerWaalsContact C-N 3.28Å; F67-D69 PolarHBondContact O-N 2.85Å; F67-L70 HydrophobicContact CD2-CD1 3.73Å; F67-L70 HydrophobicContact CE2-CD1 4.19Å; F67-L70 HydrophobicContact CG-CD1 4.43Å; F67-L70 PolarHBondContact O-N 2.91Å; F67-F110 HydrophobicContact CD1-CE2 4.1Å; F67-F110 AromaticContact CE1-CE2 3.53Å; F67-F110 HydrophobicContact CE1-CE2 3.53Å; F67-F110 AromaticContact CE1-CZ 3.91Å; F67-F110 HydrophobicContact CE1-CZ 3.91Å; F67-F110 HydrophobicContact CZ-CE2 4.39Å; F67-F110 HydrophobicContact CZ-CZ 4.35Å; F67-A115 HydrophobicContact CE1-CB 4.13Å; F67-A115 HydrophobicContact CZ-CB 3.87Å; F67-K118 HydrophobicContact CE1-CD 4.32Å; F67-K118 HydrophobicContact CZ-CB 4.43Å; F67-K118 HydrophobicContact CZ-CD 4.33Å; F67-L138 HydrophobicContact CD2-CD1 4.08Å; F67-L138 HydrophobicContact CE2-CD1 3.88Å
68Y97.2Very high97Very high97 Ų9771.2 Ų71.238%0.3836%0.364SS..THydrogen-bonded Turntrans-68.6-29.5179.6-70.7-83000112.4L53 S66 P107 F110 K118L53-Y68 HydrophobicContact CD1-CE2 4.48Å; L53-Y68 HydrophobicContact CD2-CE2 4.39Å; S66-Y68 PolarHBondContact O-N 3.2Å; S66-Y68 PolarHBondContact OG-N 2.84Å; Y68-P107 WeakPolarHBondContact OH-CB 3.29Å; Y68-F110 HydrophobicContact CE1-CD2 4.48Å; Y68-K118 PolarHBondContact O-NZ 3.35Å
69D98.1Very high97.4Very high81 Ų8170.8 Ų70.843%0.43335%0.352SS..THydrogen-bonded Turntrans-82.9-15.5-178-50.5-53.7000112.9Y65 S66 F67 E71Y65-D69 HydrophobicContact CD1-CB 3.94Å; Y65-D69 HydrophobicContact CD2-CB 3.76Å; Y65-D69 HydrophobicContact CE1-CB 3.59Å; Y65-D69 WeakPolarHBondContact CE1-O 3.48Å; Y65-D69 HydrophobicContact CE2-CB 3.41Å; Y65-D69 VanDerWaalsContact CE2-CB 3.41Å; Y65-D69 HydrophobicContact CG-CB 4.01Å; Y65-D69 PolarHBondContact OH-O 3.42Å; S66-D69 VanDerWaalsContact CB-OD2 3.28Å; S66-D69 WeakPolarHBondContact CB-OD2 3.25Å; S66-D69 PolarHBondContact N-OD2 2.7Å; S66-D69 PolarHBondContact O-N 3.01Å; S66-D69 VanDerWaalsContact O-N 3.13Å; S66-D69 VanDerWaalsContact OG-CG 3.25Å; S66-D69 PolarHBondContact OG-N 3.02Å; S66-D69 PolarHBondContact OG-OD2 3.24Å; F67-D69 VanDerWaalsContact C-N 3.28Å; F67-D69 PolarHBondContact O-N 2.85Å; D69-E71 PolarHBondContact O-N 2.85Å
70L98.6Very high97.5Very high5 Ų576 Ų763%0.02638%0.377CS..SBendtrans-53.2138.8-177.2-66.5179000112.6Y65 S66 F67 K118 N122 L138 P140Y65-L70 HydrophobicContact CD1-CD2 4.02Å; Y65-L70 HydrophobicContact CE1-CD2 4.29Å; S66-L70 PolarHBondContact O-N 3.29Å; F67-L70 HydrophobicContact CD2-CD1 3.73Å; F67-L70 HydrophobicContact CE2-CD1 4.19Å; F67-L70 HydrophobicContact CG-CD1 4.43Å; F67-L70 PolarHBondContact O-N 2.91Å; L70-K118 HydrophobicContact CB-CB 4.12Å; L70-K118 HydrophobicContact CB-CD 4.02Å; L70-K118 HydrophobicContact CB-CG 3.92Å; L70-K118 HydrophobicContact CD1-CB 4.49Å; L70-K118 WeakPolarHBondContact O-CE 3.41Å; L70-N122 HydrophobicContact CD1-CB 4.15Å; L70-N122 HydrophobicContact CD2-CB 4.32Å; L70-L138 HydrophobicContact CD1-CD2 4.48Å; L70-P140 HydrophobicContact CD2-CB 4.17Å
71E98.5Very high97.6Very high99 Ų9970.9 Ų70.946%0.46335%0.352SS..  trans-63140.8173.1179.358-94.600110D69 N73 C121 N122D69-E71 PolarHBondContact O-N 2.85Å; E71-N73 PolarHBondContact OE1-N 3.16Å; E71-C121 PolarHBondContact O-SG 3.01Å; E71-N122 PolarHBondContact O-ND2 2.78Å
72S98.3Very high97.6Very high19 Ų1971.3 Ų71.313%0.13335%0.349CS..  trans-115.5-20.9179.769.30000112.7I74 A117S72-I74 PolarHBondContact O-N 2.79Å; S72-I74 WeakPolarHBondContact OG-CG1 3.46Å; S72-A117 WeakPolarHBondContact O-CB 3.3Å
73N98Very high97.7Very high13 Ų1372.9 Ų72.97%0.0736%0.356CS..  trans51.422.9-174.9-72.4-63.3000114.2E71 N75 K76 L77 Y198 C199E71-N73 PolarHBondContact OE1-N 3.16Å; N73-N75 PolarHBondContact O-N 3.24Å; N73-N75 VanDerWaalsContact O-N 3.1Å; N73-K76 WeakPolarHBondContact O-CA 3.38Å; N73-K76 PolarHBondContact O-N 3.35Å; N73-K76 PolarHBondContact OD1-NZ 3.32Å; N73-L77 PolarHBondContact O-N 2.83Å; N73-Y198 PolarHBondContact ND2-O 2.99Å; N73-C199 HydrophobicContact CB-CB 3.83Å
74I97.6Very high97.7Very high55 Ų5567 Ų6728%0.28234%0.34SS..G310 helixtrans-53.6-39.4-172.7-74.9168.7000112.3S72 K76 L77 F113 E114 A117S72-I74 PolarHBondContact O-N 2.79Å; S72-I74 WeakPolarHBondContact OG-CG1 3.46Å; I74-K76 PolarHBondContact O-N 3.23Å; I74-L77 HydrophobicContact CG1-CD1 4.42Å; I74-L77 PolarHBondContact O-N 3.4Å; I74-F113 HydrophobicContact CG1-CE1 4.47Å; I74-E114 HydrophobicContact CD1-CB 3.82Å; I74-E114 HydrophobicContact CD1-CG 3.8Å; I74-A117 HydrophobicContact CD1-CB 4.43Å; I74-A117 HydrophobicContact CG1-CB 3.9Å
75N97.3Very high97.7Very high142 Ų14262 Ų6276%0.75931%0.314SS*.G310 helixtrans-67.3-17.7178.961.7-11000114N73N73-N75 PolarHBondContact O-N 3.24Å; N73-N75 VanDerWaalsContact O-N 3.1Å
76K97.8Very high97.7Very high108 Ų10862.8 Ų62.847%0.4732%0.317SS..G310 helixtrans-104-5.5178.4-59.5177-165.21600113.4N73 I74 T78 C199N73-K76 WeakPolarHBondContact O-CA 3.38Å; N73-K76 PolarHBondContact O-N 3.35Å; N73-K76 PolarHBondContact OD1-NZ 3.32Å; I74-K76 PolarHBondContact O-N 3.23Å; K76-T78 PolarHBondContact O-N 3.13Å; K76-C199 HydrophobicContact CB-CB 3.82Å; K76-C199 HydrophobicContact CD-CB 3.9Å; K76-C199 WeakPolarHBondContact CD-O 3.46Å; K76-C199 PolarHBondContact NZ-O 3.12Å
77L96.4Very high97.8Very high21 Ų2165.9 Ų65.911%0.1133%0.328CS..  trans-68.4131.4-179.8-64.2179.5000111.1N73 I74 K81 K82 L85 A117N73-L77 PolarHBondContact O-N 2.83Å; I74-L77 HydrophobicContact CG1-CD1 4.42Å; I74-L77 PolarHBondContact O-N 3.4Å; L77-K81 HydrophobicContact CB-CB 4.48Å; L77-K81 HydrophobicContact CD2-CB 4.31Å; L77-K81 HydrophobicContact CD2-CD 4.02Å; L77-K82 HydrophobicContact CB-CG 3.87Å; L77-K82 HydrophobicContact CD1-CG 4.41Å; L77-K82 VanDerWaalsContact O-CE 3.32Å; L77-K82 WeakPolarHBondContact O-CE 3.44Å; L77-L85 HydrophobicContact CD1-CD1 3.46Å; L77-L85 VanDerWaalsContact CD1-CD1 3.46Å; L77-A117 HydrophobicContact CD1-CB 4.36Å
78T97.2Very high97.8Very high73 Ų7367 Ų6745%0.44833%0.334SS..  trans-70158.5168.862.80000110.6K76 D80 K81 K82K76-T78 PolarHBondContact O-N 3.13Å; T78-D80 VanDerWaalsContact C-N 3.27Å; T78-D80 PolarHBondContact O-N 3.45Å; T78-K81 PolarHBondContact O-N 3.13Å; T78-K81 VanDerWaalsContact O-N 3.11Å; T78-K81 WeakPolarHBondContact OG1-CG 3.03Å; T78-K82 WeakPolarHBondContact O-CG 3.25Å; T78-K82 PolarHBondContact O-N 3.36Å
79E97.8Very high97.8Very high110 Ų11063.4 Ų63.451%0.51432%0.322SS..Hα-helixtrans-60.4-36179.8-73.2-53.5128.500113.1K81 K82 E83E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 2.97Å; E79-K82 PolarHBondContact O-N 2.91Å; E79-K82 WeakPolarHBondContact OE1-CD 3.29Å; E79-K82 IonicContact OE1-NZ 2.73Å; E79-K82 PolarHBondContact OE1-NZ 2.95Å; E79-E83 PolarHBondContact O-N 3.47Å
80D96.8Very high97.8Very high140 Ų14064 Ų6475%0.74932%0.323SS*.Hα-helixtrans-61-42175.1-63.3-26.5000111.9T78 E83 G84T78-D80 VanDerWaalsContact C-N 3.27Å; T78-D80 PolarHBondContact O-N 3.45Å; D80-E83 PolarHBondContact O-N 3.1Å; D80-G84 PolarHBondContact O-N 3.27Å
81K96.3Very high97.8Very high53 Ų5366.2 Ų66.223%0.2334%0.337CS..Hα-helixtrans-66-43.1175.7-69.2-178.3-167.3-1780110.9L77 T78 E79 E83 G84 L85 R195 D196L77-K81 HydrophobicContact CB-CB 4.48Å; L77-K81 HydrophobicContact CD2-CB 4.31Å; L77-K81 HydrophobicContact CD2-CD 4.02Å; T78-K81 PolarHBondContact O-N 3.13Å; T78-K81 VanDerWaalsContact O-N 3.11Å; T78-K81 WeakPolarHBondContact OG1-CG 3.03Å; E79-K81 VanDerWaalsContact C-N 3.33Å; E79-K81 PolarHBondContact O-N 2.97Å; K81-E83 VanDerWaalsContact C-N 3.28Å; K81-E83 PolarHBondContact O-N 2.95Å; K81-G84 PolarHBondContact O-N 2.69Å; K81-L85 WeakPolarHBondContact O-CG 3.33Å; K81-L85 PolarHBondContact O-N 3.24Å; K81-R195 PolarHBondContact NZ-O 3.3Å; K81-D196 WeakPolarHBondContact CE-O 3.41Å; K81-D196 VanDerWaalsContact NZ-C 3.28Å; K81-D196 PolarHBondContact NZ-O 3.18Å
82K98Very high97.8Very high52 Ų5261.6 Ų61.623%0.22632%0.316CS..Hα-helixtrans-61.4-38.1176.6-63.7-176.6-168.4161.50111.6L77 T78 E79 L85 R86 F113L77-K82 HydrophobicContact CB-CG 3.87Å; L77-K82 HydrophobicContact CD1-CG 4.41Å; L77-K82 VanDerWaalsContact O-CE 3.32Å; L77-K82 WeakPolarHBondContact O-CE 3.44Å; T78-K82 WeakPolarHBondContact O-CG 3.25Å; T78-K82 PolarHBondContact O-N 3.36Å; E79-K82 PolarHBondContact O-N 2.91Å; E79-K82 WeakPolarHBondContact OE1-CD 3.29Å; E79-K82 IonicContact OE1-NZ 2.73Å; E79-K82 PolarHBondContact OE1-NZ 2.95Å; K82-L85 PolarHBondContact O-N 3.45Å; K82-R86 WeakPolarHBondContact O-CG 3.18Å; K82-R86 PolarHBondContact O-N 3.01Å; K82-F113 HydrophobicContact CB-CE2 4.41Å; K82-F113 HydrophobicContact CB-CZ 4.03Å; K82-F113 HydrophobicContact CG-CZ 4.05Å
83E98.1Very high97.7Very high79 Ų7965.7 Ų65.737%0.36933%0.333SS..Hα-helixtrans-63.5-45.6174.1-174.753.4-145.100111.5E79 D80 K81 L85 R86 Q87E79-E83 PolarHBondContact O-N 3.47Å; D80-E83 PolarHBondContact O-N 3.1Å; K81-E83 VanDerWaalsContact C-N 3.28Å; K81-E83 PolarHBondContact O-N 2.95Å; E83-L85 VanDerWaalsContact C-N 3.3Å; E83-L85 PolarHBondContact O-N 3.43Å; E83-R86 WeakPolarHBondContact O-CB 3.13Å; E83-R86 PolarHBondContact O-N 2.87Å; E83-R86 VanDerWaalsContact O-N 3.11Å; E83-R86 IonicContact OE2-CZ 2.83Å; E83-R86 IonicContact OE2-NE 3.64Å; E83-R86 PolarHBondContact OE2-NE 3.49Å; E83-R86 IonicContact OE2-NH2 3.96Å; E83-R86 PolarHBondContact OE2-NH2 2.73Å; E83-Q87 WeakPolarHBondContact O-CG 3.37Å; E83-Q87 PolarHBondContact O-N 3.06Å; E83-Q87 PolarHBondContact OE1-NE2 3.01Å
84G97.9Very high97.6Very high36 Ų3670.8 Ų70.837%0.37136%0.356SS..Hα-helixtrans-54.9-44.3172.600000112.9D80 K81 Q87 L88D80-G84 PolarHBondContact O-N 3.27Å; K81-G84 PolarHBondContact O-N 2.69Å; G84-Q87 PolarHBondContact O-N 3.23Å; G84-L88 PolarHBondContact O-N 2.8Å
85L98.3Very high97.6Very high10 Ų1068.4 Ų68.45%0.05234%0.344CS..Hα-helixtrans-64.1-40.4175.7-64.8-177.2000112.3L77 K81 K82 E83 Q87 L88 V89 F113 F116 A117 I120L77-L85 HydrophobicContact CD1-CD1 3.46Å; L77-L85 VanDerWaalsContact CD1-CD1 3.46Å; K81-L85 WeakPolarHBondContact O-CG 3.33Å; K81-L85 PolarHBondContact O-N 3.24Å; K82-L85 PolarHBondContact O-N 3.45Å; E83-L85 VanDerWaalsContact C-N 3.3Å; E83-L85 PolarHBondContact O-N 3.43Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.64Å; L85-L88 HydrophobicContact CD2-CD1 4.3Å; L85-L88 WeakPolarHBondContact O-CB 3.26Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 2.98Å; L85-F113 HydrophobicContact CB-CD2 3.93Å; L85-F113 HydrophobicContact CB-CE2 3.52Å; L85-F113 HydrophobicContact CB-CZ 4.06Å; L85-F113 HydrophobicContact CD1-CE1 4.12Å; L85-F113 HydrophobicContact CD1-CE2 4.12Å; L85-F113 HydrophobicContact CD1-CZ 3.79Å; L85-F113 HydrophobicContact CG-CE2 4.47Å; L85-F116 HydrophobicContact CD2-CB 3.93Å; L85-A117 HydrophobicContact CD1-CB 3.92Å; L85-I120 HydrophobicContact CD2-CG1 3.86Å
86R98.6Very high97.6Very high93 Ų9361.7 Ų61.735%0.35131%0.308SS..Hα-helixtrans-60.5-39.9174.7-74.1-175.6-70.8-96.24.5111.9K82 E83 V89 M90 F113K82-R86 WeakPolarHBondContact O-CG 3.18Å; K82-R86 PolarHBondContact O-N 3.01Å; E83-R86 WeakPolarHBondContact O-CB 3.13Å; E83-R86 PolarHBondContact O-N 2.87Å; E83-R86 VanDerWaalsContact O-N 3.11Å; E83-R86 IonicContact OE2-CZ 2.83Å; E83-R86 IonicContact OE2-NE 3.64Å; E83-R86 PolarHBondContact OE2-NE 3.49Å; E83-R86 IonicContact OE2-NH2 3.96Å; E83-R86 PolarHBondContact OE2-NH2 2.73Å; R86-V89 WeakPolarHBondContact O-CB 3.46Å; R86-V89 PolarHBondContact O-N 2.95Å; R86-M90 PolarHBondContact O-N 3.05Å; R86-F113 HydrophobicContact CG-CD2 4.22Å; R86-F113 HydrophobicContact CG-CE2 4.01Å
87Q98.4Very high97.4Very high92 Ų9260.9 Ų60.943%0.4330%0.302SS..Hα-helixtrans-64.3-39.3174.2-62.7-59.6-37.100112.1E83 G84 L85 M90 T91E83-Q87 WeakPolarHBondContact O-CG 3.37Å; E83-Q87 PolarHBondContact O-N 3.06Å; E83-Q87 PolarHBondContact OE1-NE2 3.01Å; G84-Q87 PolarHBondContact O-N 3.23Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.64Å; Q87-M90 HydrophobicContact CG-CE 4.42Å; Q87-M90 PolarHBondContact O-N 2.68Å; Q87-T91 WeakPolarHBondContact O-CB 3.27Å; Q87-T91 PolarHBondContact O-N 2.83Å; Q87-T91 PolarHBondContact O-OG1 3.42Å
88L98.4Very high97.4Very high30 Ų3064.2 Ų64.216%0.15732%0.316CS..Hα-helixtrans-64.4-40.8173.5-69.4175.6000112P40 V43 G84 L85 T91 F92 F116P40-L88 HydrophobicContact CB-CD2 4.38Å; P40-L88 HydrophobicContact CG-CD2 4.28Å; V43-L88 HydrophobicContact CG2-CD2 3.98Å; G84-L88 PolarHBondContact O-N 2.8Å; L85-L88 HydrophobicContact CD2-CD1 4.3Å; L85-L88 WeakPolarHBondContact O-CB 3.26Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L88-T91 PolarHBondContact O-N 3.32Å; L88-F92 WeakPolarHBondContact O-CB 3.4Å; L88-F92 PolarHBondContact O-N 3.42Å; L88-F116 HydrophobicContact CB-CD1 4.06Å; L88-F116 HydrophobicContact CB-CD2 3.97Å; L88-F116 HydrophobicContact CB-CE1 4.03Å; L88-F116 HydrophobicContact CB-CE2 3.93Å; L88-F116 HydrophobicContact CB-CG 4.05Å; L88-F116 HydrophobicContact CB-CZ 3.96Å; L88-F116 HydrophobicContact CD1-CD1 4.03Å; L88-F116 HydrophobicContact CD1-CE1 4.39Å; L88-F116 HydrophobicContact CD1-CG 4.44Å; L88-F116 WeakPolarHBondContact O-CE2 3.23Å
89V98.4Very high97.3Very high20 Ų2061.7 Ų61.712%0.12130%0.3CS..Hα-helixtrans-58.3-49.7174.8172.30000110.9L85 R86 T91 F92 Q93 I112 F113 F116L85-V89 WeakPolarHBondContact O-CG2 3.35Å; L85-V89 PolarHBondContact O-N 2.98Å; R86-V89 WeakPolarHBondContact O-CB 3.46Å; R86-V89 PolarHBondContact O-N 2.95Å; V89-T91 VanDerWaalsContact C-N 3.31Å; V89-T91 PolarHBondContact O-N 3.37Å; V89-F92 WeakPolarHBondContact O-CB 3.44Å; V89-F92 PolarHBondContact O-N 3.18Å; V89-Q93 WeakPolarHBondContact O-CG 3.31Å; V89-Q93 PolarHBondContact O-N 3.3Å; V89-I112 HydrophobicContact CB-CG2 4.42Å; V89-I112 HydrophobicContact CG1-CB 4.35Å; V89-I112 HydrophobicContact CG1-CG2 4.17Å; V89-I112 HydrophobicContact CG2-CB 4.4Å; V89-I112 HydrophobicContact CG2-CG2 4.03Å; V89-F113 HydrophobicContact CG2-CB 4.07Å; V89-F113 HydrophobicContact CG2-CD2 4.39Å; V89-F116 HydrophobicContact CG2-CD2 3.93Å; V89-F116 HydrophobicContact CG2-CE2 4.44Å
90M97.9Very high97.1Very high93 Ų9357.3 Ų57.346%0.45828%0.28SS..Hα-helixtrans-62.4-40.4177.7-69.1-170.5-66.500112R86 Q87 F92 Q93 H94R86-M90 PolarHBondContact O-N 3.05Å; Q87-M90 HydrophobicContact CG-CE 4.42Å; Q87-M90 PolarHBondContact O-N 2.68Å; M90-F92 VanDerWaalsContact C-N 3.34Å; M90-F92 PolarHBondContact O-N 2.95Å; M90-Q93 PolarHBondContact O-N 2.91Å; M90-H94 WeakPolarHBondContact O-CB 3.38Å; M90-H94 PolarHBondContact O-N 3.1Å
91T98Very high96.8Very high52 Ų5256.3 Ų56.332%0.31927%0.27SS..Hα-helixtrans-63.9-40.9176.9-57.20000111.3P40 V43 Q87 L88 V89 H94 F95P40-T91 HydrophobicContact CG-CG2 4.4Å; V43-T91 HydrophobicContact CG1-CG2 4.46Å; V43-T91 HydrophobicContact CG2-CG2 3.97Å; Q87-T91 WeakPolarHBondContact O-CB 3.27Å; Q87-T91 PolarHBondContact O-N 2.83Å; Q87-T91 PolarHBondContact O-OG1 3.42Å; L88-T91 PolarHBondContact O-N 3.32Å; V89-T91 VanDerWaalsContact C-N 3.31Å; V89-T91 PolarHBondContact O-N 3.37Å; T91-H94 PolarHBondContact O-N 3.14Å; T91-F95 VanDerWaalsContact O-CB 3.28Å; T91-F95 WeakPolarHBondContact O-CB 3.28Å; T91-F95 PolarHBondContact O-N 3.2Å
92F98.1Very high96.6Very high2 Ų257.9 Ų57.91%0.00928%0.282CS..Hα-helixtrans-63-50.5175.6178.1-88.8000112V43 L46 V50 L88 V89 M90 H94 F95 M96 I100 I112 F116V43-F92 HydrophobicContact CG1-CB 4.16Å; V43-F92 HydrophobicContact CG1-CD2 4.24Å; L46-F92 HydrophobicContact CB-CD2 4.19Å; L46-F92 HydrophobicContact CB-CE2 4.02Å; L46-F92 HydrophobicContact CD2-CD2 3.92Å; L46-F92 HydrophobicContact CD2-CE2 3.95Å; L46-F92 HydrophobicContact CD2-CG 4.46Å; L46-F92 HydrophobicContact CG-CD2 4.1Å; L46-F92 HydrophobicContact CG-CE2 3.72Å; L46-F92 HydrophobicContact CG-CZ 4.39Å; V50-F92 HydrophobicContact CG2-CZ 4.01Å; L88-F92 WeakPolarHBondContact O-CB 3.4Å; L88-F92 PolarHBondContact O-N 3.42Å; V89-F92 WeakPolarHBondContact O-CB 3.44Å; V89-F92 PolarHBondContact O-N 3.18Å; M90-F92 VanDerWaalsContact C-N 3.34Å; M90-F92 PolarHBondContact O-N 2.95Å; F92-H94 VanDerWaalsContact C-N 3.27Å; F92-H94 PolarHBondContact O-N 3.36Å; F92-F95 PolarHBondContact O-N 3.33Å; F92-F95 VanDerWaalsContact O-N 3.16Å; F92-M96 HydrophobicContact CD1-CG 4.12Å; F92-M96 HydrophobicContact CD2-CG 3.92Å; F92-M96 HydrophobicContact CE1-CB 4.31Å; F92-M96 HydrophobicContact CE1-CG 3.89Å; F92-M96 HydrophobicContact CE2-CE 4.3Å; F92-M96 HydrophobicContact CE2-CG 3.67Å; F92-M96 HydrophobicContact CE2-SD 4.32Å; F92-M96 HydrophobicContact CG-CG 4.14Å; F92-M96 HydrophobicContact CZ-CB 4.45Å; F92-M96 HydrophobicContact CZ-CE 4.12Å; F92-M96 HydrophobicContact CZ-CG 3.66Å; F92-M96 VanDerWaalsContact O-CB 3.31Å; F92-M96 WeakPolarHBondContact O-CB 3.34Å; F92-M96 VanDerWaalsContact O-CG 3.24Å; F92-M96 WeakPolarHBondContact O-CG 3.42Å; F92-M96 PolarHBondContact O-N 3.04Å; F92-I100 HydrophobicContact CZ-CD1 4.39Å; F92-I112 HydrophobicContact CD1-CD1 4.03Å; F92-I112 HydrophobicContact CD1-CG2 3.83Å; F92-I112 HydrophobicContact CE1-CD1 4.02Å; F92-I112 HydrophobicContact CE1-CG2 4.28Å; F92-I112 HydrophobicContact CG-CG2 4.22Å; F92-F116 HydrophobicContact CB-CE2 3.64Å; F92-F116 HydrophobicContact CB-CZ 3.77Å; F92-F116 HydrophobicContact CD2-CE2 4.37Å; F92-F116 HydrophobicContact CD2-CZ 4.08Å; F92-F116 HydrophobicContact CG-CE2 4.13Å; F92-F116 HydrophobicContact CG-CZ 4.22Å
93Q96.7Very high96Very high105 Ų10559.2 Ų59.249%0.49130%0.302SS..Hα-helixtrans-57-44.1177.2-71.2170.7-23.200111V89 M90 R97 I112V89-Q93 WeakPolarHBondContact O-CG 3.31Å; V89-Q93 PolarHBondContact O-N 3.3Å; M90-Q93 PolarHBondContact O-N 2.91Å; Q93-R97 PolarHBondContact O-N 3.12Å; Q93-R97 VanDerWaalsContact O-N 3.16Å; Q93-I112 HydrophobicContact CG-CD1 4.32Å
94H96.1Very high95.6Very high120 Ų12059.9 Ų59.956%0.55632%0.316SS*.Hα-helixtrans-63.6-43.8176.6-177.681.4000112.9M90 T91 F92 R97M90-H94 WeakPolarHBondContact O-CB 3.38Å; M90-H94 PolarHBondContact O-N 3.1Å; T91-H94 PolarHBondContact O-N 3.14Å; F92-H94 VanDerWaalsContact C-N 3.27Å; F92-H94 PolarHBondContact O-N 3.36Å; H94-R97 PolarHBondContact CD2-NH1 3.1Å; H94-R97 PolarHBondContact CE1-NH1 2.87Å; H94-R97 PolarHBondContact ND1-NH1 2.84Å; H94-R97 PolarHBondContact NE2-NH1 2.98Å; H94-R97 WeakPolarHBondContact O-CG 3.49Å; H94-R97 PolarHBondContact O-NH1 3.05Å
95F97.1Very high95.3Very high6 Ų660.5 Ų60.53%0.02631%0.309CS..Hα-helixtrans-67.7-40.7-179.7174-116000112.1C30 L31 C34 P39 V43 T91 F92C30-F95 HydrophobicContact CB-CD1 4.48Å; C30-F95 HydrophobicContact CB-CD2 3.97Å; C30-F95 HydrophobicContact CB-CE1 4.09Å; C30-F95 HydrophobicContact CB-CE2 3.52Å; C30-F95 HydrophobicContact CB-CG 4.43Å; C30-F95 HydrophobicContact CB-CZ 3.58Å; C30-F95 VanDerWaalsContact CB-O 3.25Å; C30-F95 WeakPolarHBondContact CB-O 3.47Å; C30-F95 PolarHBondContact SG-O 3.46Å; L31-F95 HydrophobicContact CD2-CE2 3.93Å; L31-F95 HydrophobicContact CD2-CZ 3.95Å; L31-F95 HydrophobicContact CG-CE2 4.19Å; L31-F95 HydrophobicContact CG-CZ 4.06Å; C34-F95 HydrophobicContact CB-CD2 4.29Å; P39-F95 HydrophobicContact CB-CD2 4.12Å; P39-F95 HydrophobicContact CB-CE2 4.41Å; P39-F95 HydrophobicContact CB-CG 4.18Å; P39-F95 HydrophobicContact CG-CD2 3.94Å; P39-F95 HydrophobicContact CG-CE1 4.36Å; P39-F95 HydrophobicContact CG-CE2 3.73Å; P39-F95 HydrophobicContact CG-CG 4.35Å; P39-F95 HydrophobicContact CG-CZ 3.96Å; V43-F95 HydrophobicContact CG1-CB 4.11Å; V43-F95 HydrophobicContact CG1-CD1 3.85Å; V43-F95 HydrophobicContact CG1-CG 4.22Å; T91-F95 VanDerWaalsContact O-CB 3.28Å; T91-F95 WeakPolarHBondContact O-CB 3.28Å; T91-F95 PolarHBondContact O-N 3.2Å; F92-F95 PolarHBondContact O-N 3.33Å; F92-F95 VanDerWaalsContact O-N 3.16Å
96M96.8Very high95.1Very high1 Ų161.1 Ų61.11%0.00531%0.312CS..Hα-helixtrans-87.8-6.8-172.3-61.5-66.3-77.100114F51 F92 E98 E99 I100F51-M96 HydrophobicContact CD1-CE 4.26Å; F51-M96 HydrophobicContact CD2-CE 4.47Å; F51-M96 HydrophobicContact CE1-CE 3.46Å; F51-M96 VanDerWaalsContact CE1-CE 3.46Å; F51-M96 HydrophobicContact CE2-CE 3.68Å; F51-M96 HydrophobicContact CE2-SD 4.49Å; F51-M96 HydrophobicContact CZ-CE 3.13Å; F51-M96 HydrophobicContact CZ-SD 4.16Å; F92-M96 HydrophobicContact CD1-CG 4.12Å; F92-M96 HydrophobicContact CD2-CG 3.92Å; F92-M96 HydrophobicContact CE1-CB 4.31Å; F92-M96 HydrophobicContact CE1-CG 3.89Å; F92-M96 HydrophobicContact CE2-CE 4.3Å; F92-M96 HydrophobicContact CE2-CG 3.67Å; F92-M96 HydrophobicContact CE2-SD 4.32Å; F92-M96 HydrophobicContact CG-CG 4.14Å; F92-M96 HydrophobicContact CZ-CB 4.45Å; F92-M96 HydrophobicContact CZ-CE 4.12Å; F92-M96 HydrophobicContact CZ-CG 3.66Å; F92-M96 VanDerWaalsContact O-CB 3.31Å; F92-M96 WeakPolarHBondContact O-CB 3.34Å; F92-M96 VanDerWaalsContact O-CG 3.24Å; F92-M96 WeakPolarHBondContact O-CG 3.42Å; F92-M96 PolarHBondContact O-N 3.04Å; M96-E98 PolarHBondContact O-N 3.46Å; M96-E99 CarbonylContact O-C 3.6Å; M96-E99 PolarHBondContact O-N 3.27Å; M96-I100 HydrophobicContact CB-CB 4.21Å; M96-I100 HydrophobicContact CB-CD1 4.19Å; M96-I100 HydrophobicContact CB-CG1 4.34Å; M96-I100 HydrophobicContact CE-CD1 3.41Å; M96-I100 VanDerWaalsContact CE-CD1 3.41Å; M96-I100 HydrophobicContact CE-CG1 4.17Å; M96-I100 PolarHBondContact O-N 3.49Å
97R94.9Very high94.9Very high91 Ų9156.9 Ų56.934%0.34330%0.296SS..THydrogen-bonded Turntrans-48.6-28.5-176.173.5178.6-179.1-104.79.3116.3Q93 H94 E99 I100 Q101Q93-R97 PolarHBondContact O-N 3.12Å; Q93-R97 VanDerWaalsContact O-N 3.16Å; H94-R97 PolarHBondContact CD2-NH1 3.1Å; H94-R97 PolarHBondContact CE1-NH1 2.87Å; H94-R97 PolarHBondContact ND1-NH1 2.84Å; H94-R97 PolarHBondContact NE2-NH1 2.98Å; H94-R97 WeakPolarHBondContact O-CG 3.49Å; H94-R97 PolarHBondContact O-NH1 3.05Å; R97-E99 VanDerWaalsContact C-N 3.29Å; R97-I100 WeakPolarHBondContact CA-O 3.49Å; R97-Q101 PolarHBondContact O-NE2 3.49Å
98E94.5Very high94.6Very high90 Ų9057.5 Ų57.542%0.42131%0.309SS..THydrogen-bonded Turntrans-75.7-19.4-179.7-57.3-64.2141.200112.5K29 M96 Q101K29-E98 HydrophobicContact CB-CB 4.47Å; M96-E98 PolarHBondContact O-N 3.46Å; E98-Q101 PolarHBondContact O-NE2 3.37Å
99E95.6Very high94.2Very high20 Ų2062.2 Ų62.29%0.09334%0.344CS..THydrogen-bonded Turntrans-126.2-17.9-174.9-73-73.5142.600113.7R26 K29 F51 M96 R97R26-E99 HydrophobicContact CB-CG 4.28Å; R26-E99 WeakPolarHBondContact CB-OE2 3.17Å; R26-E99 WeakPolarHBondContact CG-OE2 3.15Å; R26-E99 IonicContact CZ-OE2 3.85Å; R26-E99 IonicContact NE-OE2 2.97Å; R26-E99 PolarHBondContact NE-OE2 3.07Å; R26-E99 PolarHBondContact NH2-O 3.01Å; R26-E99 IonicContact NH2-OE2 3.84Å; R26-E99 WeakPolarHBondContact O-CG 3.28Å; K29-E99 WeakPolarHBondContact CD-OE1 3.05Å; K29-E99 WeakPolarHBondContact CE-OE1 3.44Å; K29-E99 IonicContact NZ-OE1 2.69Å; K29-E99 PolarHBondContact NZ-OE1 3.36Å; F51-E99 HydrophobicContact CE1-CB 4.03Å; F51-E99 HydrophobicContact CZ-CB 3.82Å; F51-E99 HydrophobicContact CZ-CG 4.14Å; M96-E99 CarbonylContact O-C 3.6Å; M96-E99 PolarHBondContact O-N 3.27Å; R97-E99 VanDerWaalsContact C-N 3.29Å
100I94.1Very high94.1Very high19 Ų1962.4 Ų62.410%0.09734%0.343CS..  trans-139.3103.9-179.6-52.9-179.3000107.6V50 F51 F92 M96 R97 Q105 L106V50-I100 HydrophobicContact CG1-CD1 3.53Å; F51-I100 HydrophobicContact CE1-CD1 4.1Å; F51-I100 HydrophobicContact CE1-CG1 4.21Å; F92-I100 HydrophobicContact CZ-CD1 4.39Å; M96-I100 HydrophobicContact CB-CB 4.21Å; M96-I100 HydrophobicContact CB-CD1 4.19Å; M96-I100 HydrophobicContact CB-CG1 4.34Å; M96-I100 HydrophobicContact CE-CD1 3.41Å; M96-I100 VanDerWaalsContact CE-CD1 3.41Å; M96-I100 HydrophobicContact CE-CG1 4.17Å; M96-I100 PolarHBondContact O-N 3.49Å; R97-I100 WeakPolarHBondContact CA-O 3.49Å; I100-Q105 HydrophobicContact CG2-CB 4.15Å; I100-L106 HydrophobicContact CD1-CD2 4Å; I100-L106 HydrophobicContact CG2-CD2 3.93Å; I100-L106 HydrophobicContact CG2-CG 4.04Å
101Q91.4Very high94Very high118 Ų11861.9 Ų61.955%0.55134%0.342SS*.SBendtrans-98.8-33.5177.5-64.583.343.500112R97 E98 Q105R97-Q101 PolarHBondContact O-NE2 3.49Å; E98-Q101 PolarHBondContact O-NE2 3.37Å; Q101-Q105 VanDerWaalsContact OE1-OE1 3.07Å
102D90.3Very high94Very high87 Ų8760.4 Ų60.447%0.46533%0.332SS..SBendtrans-146.6176-176.76970.8000112.5S104 Q105D102-S104 PolarHBondContact O-N 2.91Å; D102-S104 VanDerWaalsContact OD1-CB 3.27Å; D102-S104 WeakPolarHBondContact OD1-CB 3.4Å; D102-S104 PolarHBondContact OD1-N 3.09Å; D102-S104 PolarHBondContact OD1-OG 2.85Å; D102-Q105 PolarHBondContact O-N 2.75Å
103A86.4Confident94.1Very high79 Ų7962.4 Ų62.465%0.65334%0.341SS*.G310 helixtrans-64.2-20.5-174.100000114.2Q105 L106A103-Q105 PolarHBondContact O-N 2.97Å; A103-L106 PolarHBondContact O-N 3.44Å
104S89.3Confident94.1Very high94 Ų9460.7 Ų60.766%0.65733%0.333SS*.G310 helixtrans-70.2-13.8178.685.20000113D102D102-S104 PolarHBondContact O-N 2.91Å; D102-S104 VanDerWaalsContact OD1-CB 3.27Å; D102-S104 WeakPolarHBondContact OD1-CB 3.4Å; D102-S104 PolarHBondContact OD1-N 3.09Å; D102-S104 PolarHBondContact OD1-OG 2.85Å
105Q92.3Very high94.3Very high49 Ų4955.1 Ų55.123%0.22931%0.307CS..G310 helixtrans-101.12.6177.8-65.5165.1-49.800112.7I100 Q101 D102 A103I100-Q105 HydrophobicContact CG2-CB 4.15Å; Q101-Q105 VanDerWaalsContact OE1-OE1 3.07Å; D102-Q105 PolarHBondContact O-N 2.75Å; A103-Q105 PolarHBondContact O-N 2.97Å
106L94.1Very high94.3Very high22 Ų2254.8 Ų54.812%0.11531%0.306CS..SBendtrans-97.8159.4168.7-66.3173.5000109.9V50 I100 A103 F110 I112V50-L106 HydrophobicContact CG1-CD2 3.94Å; V50-L106 HydrophobicContact CG2-CD2 4.32Å; I100-L106 HydrophobicContact CD1-CD2 4Å; I100-L106 HydrophobicContact CG2-CD2 3.93Å; I100-L106 HydrophobicContact CG2-CG 4.04Å; A103-L106 PolarHBondContact O-N 3.44Å; L106-F110 HydrophobicContact CB-CB 4.27Å; L106-F110 HydrophobicContact CD2-CD1 4.35Å; L106-I112 HydrophobicContact CD1-CD1 4.13Å; L106-I112 HydrophobicContact CD1-CG1 4.28Å
107P94.1Very high94.4Very high4 Ų454.9 Ų54.93%0.02631%0.307CS..PPolyproline II helixtrans-57.7154.4170.1-22.933.5000111.6L53 M54 Y68 S109 F110L53-P107 HydrophobicContact CB-CB 4.39Å; L53-P107 HydrophobicContact CB-CG 3.73Å; L53-P107 HydrophobicContact CD1-CG 4.12Å; M54-P107 HydrophobicContact CG-CG 4.2Å; M54-P107 VanDerWaalsContact SD-CA 3.55Å; M54-P107 HydrophobicContact SD-CB 4.2Å; M54-P107 HydrophobicContact SD-CG 3.95Å; M54-P107 VanDerWaalsContact SD-N 3.39Å; Y68-P107 WeakPolarHBondContact OH-CB 3.29Å; P107-S109 PolarHBondContact O-N 2.91Å; P107-F110 HydrophobicContact CB-CB 4.07Å; P107-F110 HydrophobicContact CB-CD2 3.88Å; P107-F110 HydrophobicContact CB-CG 4.28Å; P107-F110 HydrophobicContact CG-CB 4.38Å; P107-F110 HydrophobicContact CG-CD2 3.74Å; P107-F110 HydrophobicContact CG-CE2 4.2Å; P107-F110 HydrophobicContact CG-CG 4.15Å; P107-F110 WeakPolarHBondContact O-CB 3.44Å; P107-F110 PolarHBondContact O-N 2.93Å
108P91.4Very high94.6Very high106 Ų10651 Ų5169%0.68829%0.293SS*.THydrogen-bonded Turntrans-55.7134.1178.3-24.434.1000111.8F110P108-F110 PolarHBondContact O-N 3.14Å; P108-F110 VanDerWaalsContact O-N 3.17Å
109S90.3Very high94.8Very high128 Ų12846.8 Ų46.890%0.89527%0.273SS*.THydrogen-bonded Turntrans56.926.9179.1-52.70000114.5P107 D111P107-S109 PolarHBondContact O-N 2.91Å; S109-D111 PolarHBondContact O-N 2.82Å
110F96.2Very high94.9Very high25 Ų2548.9 Ų48.911%0.1128%0.284CS..  trans-81113.7-177.4-163.8-91.3000112.2L46 V50 L53 F67 Y68 L106 P107 P108 I112 A115L46-F110 HydrophobicContact CD1-CE1 4.48Å; L46-F110 HydrophobicContact CD1-CZ 4.01Å; V50-F110 HydrophobicContact CG2-CD1 4.42Å; V50-F110 HydrophobicContact CG2-CE1 3.64Å; V50-F110 HydrophobicContact CG2-CE2 4.39Å; V50-F110 HydrophobicContact CG2-CZ 3.62Å; L53-F110 HydrophobicContact CD1-CD2 4.4Å; L53-F110 HydrophobicContact CD1-CE2 3.8Å; F67-F110 HydrophobicContact CD1-CE2 4.1Å; F67-F110 AromaticContact CE1-CE2 3.53Å; F67-F110 HydrophobicContact CE1-CE2 3.53Å; F67-F110 AromaticContact CE1-CZ 3.91Å; F67-F110 HydrophobicContact CE1-CZ 3.91Å; F67-F110 HydrophobicContact CZ-CE2 4.39Å; F67-F110 HydrophobicContact CZ-CZ 4.35Å; Y68-F110 HydrophobicContact CE1-CD2 4.48Å; L106-F110 HydrophobicContact CB-CB 4.27Å; L106-F110 HydrophobicContact CD2-CD1 4.35Å; P107-F110 HydrophobicContact CB-CB 4.07Å; P107-F110 HydrophobicContact CB-CD2 3.88Å; P107-F110 HydrophobicContact CB-CG 4.28Å; P107-F110 HydrophobicContact CG-CB 4.38Å; P107-F110 HydrophobicContact CG-CD2 3.74Å; P107-F110 HydrophobicContact CG-CE2 4.2Å; P107-F110 HydrophobicContact CG-CG 4.15Å; P107-F110 WeakPolarHBondContact O-CB 3.44Å; P107-F110 PolarHBondContact O-N 2.93Å; P108-F110 PolarHBondContact O-N 3.14Å; P108-F110 VanDerWaalsContact O-N 3.17Å; F110-I112 HydrophobicContact CD1-CG1 4.39Å; F110-A115 HydrophobicContact CE1-CB 3.64Å; F110-A115 HydrophobicContact CE2-CB 4.33Å; F110-A115 HydrophobicContact CZ-CB 3.5Å; F110-A115 VanDerWaalsContact CZ-CB 3.5Å
111D97.4Very high95Very high82 Ų8248.6 Ų48.644%0.43928%0.284SS..  trans-95.3119.9172.1-175.6-86.3000110.8S109 F113 E114 A115S109-D111 PolarHBondContact O-N 2.82Å; D111-F113 VanDerWaalsContact C-N 3.31Å; D111-F113 PolarHBondContact O-N 3.4Å; D111-F113 WeakPolarHBondContact OD1-CA 3.43Å; D111-F113 VanDerWaalsContact OD1-CB 3.29Å; D111-F113 WeakPolarHBondContact OD1-CB 3.45Å; D111-F113 PolarHBondContact OD1-N 3.26Å; D111-E114 HydrophobicContact CB-CB 4.07Å; D111-E114 PolarHBondContact OD1-N 3.1Å; D111-A115 VanDerWaalsContact O-CB 3.23Å; D111-A115 WeakPolarHBondContact O-CB 3.39Å; D111-A115 PolarHBondContact O-N 3.34Å
112I97.9Very high95.4Very high20 Ų2043.8 Ų43.810%0.10326%0.262CS..Hα-helixtrans-69.5-31.9-175-53.3175.1000111L46 V89 F92 Q93 L106 F110 A115 F116L46-I112 HydrophobicContact CD2-CG2 4.13Å; V89-I112 HydrophobicContact CB-CG2 4.42Å; V89-I112 HydrophobicContact CG1-CB 4.35Å; V89-I112 HydrophobicContact CG1-CG2 4.17Å; V89-I112 HydrophobicContact CG2-CB 4.4Å; V89-I112 HydrophobicContact CG2-CG2 4.03Å; F92-I112 HydrophobicContact CD1-CD1 4.03Å; F92-I112 HydrophobicContact CD1-CG2 3.83Å; F92-I112 HydrophobicContact CE1-CD1 4.02Å; F92-I112 HydrophobicContact CE1-CG2 4.28Å; F92-I112 HydrophobicContact CG-CG2 4.22Å; Q93-I112 HydrophobicContact CG-CD1 4.32Å; L106-I112 HydrophobicContact CD1-CD1 4.13Å; L106-I112 HydrophobicContact CD1-CG1 4.28Å; F110-I112 HydrophobicContact CD1-CG1 4.39Å; I112-A115 PolarHBondContact O-N 2.81Å; I112-F116 HydrophobicContact CG2-CD2 3.95Å; I112-F116 HydrophobicContact CG2-CE2 3.85Å; I112-F116 WeakPolarHBondContact O-CD2 3.26Å; I112-F116 PolarHBondContact O-N 3.45Å
113F98.4Very high95.7Very high45 Ų4540.8 Ų40.820%0.19725%0.248CC..Hα-helixtrans-69.5-47.9-179.8179-84.1000110.6I74 K82 L85 R86 V89 D111 A115 F116 A117I74-F113 HydrophobicContact CG1-CE1 4.47Å; K82-F113 HydrophobicContact CB-CE2 4.41Å; K82-F113 HydrophobicContact CB-CZ 4.03Å; K82-F113 HydrophobicContact CG-CZ 4.05Å; L85-F113 HydrophobicContact CB-CD2 3.93Å; L85-F113 HydrophobicContact CB-CE2 3.52Å; L85-F113 HydrophobicContact CB-CZ 4.06Å; L85-F113 HydrophobicContact CD1-CE1 4.12Å; L85-F113 HydrophobicContact CD1-CE2 4.12Å; L85-F113 HydrophobicContact CD1-CZ 3.79Å; L85-F113 HydrophobicContact CG-CE2 4.47Å; R86-F113 HydrophobicContact CG-CD2 4.22Å; R86-F113 HydrophobicContact CG-CE2 4.01Å; V89-F113 HydrophobicContact CG2-CB 4.07Å; V89-F113 HydrophobicContact CG2-CD2 4.39Å; D111-F113 VanDerWaalsContact C-N 3.31Å; D111-F113 PolarHBondContact O-N 3.4Å; D111-F113 WeakPolarHBondContact OD1-CA 3.43Å; D111-F113 VanDerWaalsContact OD1-CB 3.29Å; D111-F113 WeakPolarHBondContact OD1-CB 3.45Å; D111-F113 PolarHBondContact OD1-N 3.26Å; F113-A115 VanDerWaalsContact C-N 3.32Å; F113-A115 PolarHBondContact O-N 3.49Å; F113-F116 PolarHBondContact O-N 3.42Å; F113-A117 PolarHBondContact O-N 2.83Å
114E98.6Very high96.3Very high69 Ų6938.2 Ų38.232%0.32222%0.222SC..Hα-helixtrans-60.8-42.1172.4-179.7-175.6166.600111.3I74 D111 F116 A117 K118I74-E114 HydrophobicContact CD1-CB 3.82Å; I74-E114 HydrophobicContact CD1-CG 3.8Å; D111-E114 HydrophobicContact CB-CB 4.07Å; D111-E114 PolarHBondContact OD1-N 3.1Å; E114-F116 VanDerWaalsContact C-N 3.3Å; E114-F116 PolarHBondContact O-N 2.9Å; E114-A117 WeakPolarHBondContact O-CA 3.35Å; E114-A117 WeakPolarHBondContact O-CB 3.29Å; E114-A117 PolarHBondContact O-N 3.16Å; E114-A117 VanDerWaalsContact O-N 3.09Å; E114-K118 HydrophobicContact CG-CD 4.31Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.83Å; E114-K118 WeakPolarHBondContact OE1-CE 3.5Å; E114-K118 IonicContact OE1-NZ 2.84Å; E114-K118 PolarHBondContact OE1-NZ 2.97Å
115A98.6Very high96.8Very high2 Ų237 Ų372%0.01721%0.21CC..Hα-helixtrans-60.6-39.3177.300000112.2L46 F67 F110 D111 I112 F113 K118 V119L46-A115 HydrophobicContact CD1-CB 3.76Å; L46-A115 HydrophobicContact CD2-CB 4.2Å; F67-A115 HydrophobicContact CE1-CB 4.13Å; F67-A115 HydrophobicContact CZ-CB 3.87Å; F110-A115 HydrophobicContact CE1-CB 3.64Å; F110-A115 HydrophobicContact CE2-CB 4.33Å; F110-A115 HydrophobicContact CZ-CB 3.5Å; F110-A115 VanDerWaalsContact CZ-CB 3.5Å; D111-A115 VanDerWaalsContact O-CB 3.23Å; D111-A115 WeakPolarHBondContact O-CB 3.39Å; D111-A115 PolarHBondContact O-N 3.34Å; I112-A115 PolarHBondContact O-N 2.81Å; F113-A115 VanDerWaalsContact C-N 3.32Å; F113-A115 PolarHBondContact O-N 3.49Å; A115-K118 PolarHBondContact O-N 3.23Å; A115-V119 VanDerWaalsContact O-CG2 3.28Å; A115-V119 WeakPolarHBondContact O-CG2 3.39Å; A115-V119 PolarHBondContact O-N 2.93Å
116F98.7Very high97Very high0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-68.5-39.5171.7-85.8-62.3000112.7V43 L46 L85 L88 V89 F92 I112 F113 E114 K118 V119 I120V43-F116 HydrophobicContact CB-CZ 4.4Å; V43-F116 HydrophobicContact CG2-CE1 4.15Å; V43-F116 HydrophobicContact CG2-CZ 3.83Å; L46-F116 HydrophobicContact CB-CE1 4.12Å; L46-F116 HydrophobicContact CB-CZ 4.26Å; L46-F116 HydrophobicContact CD2-CD1 3.96Å; L46-F116 HydrophobicContact CD2-CD2 3.69Å; L46-F116 HydrophobicContact CD2-CE1 3.73Å; L46-F116 HydrophobicContact CD2-CE2 3.44Å; L46-F116 VanDerWaalsContact CD2-CE2 3.44Å; L46-F116 HydrophobicContact CD2-CG 3.92Å; L46-F116 HydrophobicContact CD2-CZ 3.45Å; L46-F116 VanDerWaalsContact CD2-CZ 3.45Å; L46-F116 HydrophobicContact CG-CZ 4.48Å; L85-F116 HydrophobicContact CD2-CB 3.93Å; L88-F116 HydrophobicContact CB-CD1 4.06Å; L88-F116 HydrophobicContact CB-CD2 3.97Å; L88-F116 HydrophobicContact CB-CE1 4.03Å; L88-F116 HydrophobicContact CB-CE2 3.93Å; L88-F116 HydrophobicContact CB-CG 4.05Å; L88-F116 HydrophobicContact CB-CZ 3.96Å; L88-F116 HydrophobicContact CD1-CD1 4.03Å; L88-F116 HydrophobicContact CD1-CE1 4.39Å; L88-F116 HydrophobicContact CD1-CG 4.44Å; L88-F116 WeakPolarHBondContact O-CE2 3.23Å; V89-F116 HydrophobicContact CG2-CD2 3.93Å; V89-F116 HydrophobicContact CG2-CE2 4.44Å; F92-F116 HydrophobicContact CB-CE2 3.64Å; F92-F116 HydrophobicContact CB-CZ 3.77Å; F92-F116 HydrophobicContact CD2-CE2 4.37Å; F92-F116 HydrophobicContact CD2-CZ 4.08Å; F92-F116 HydrophobicContact CG-CE2 4.13Å; F92-F116 HydrophobicContact CG-CZ 4.22Å; I112-F116 HydrophobicContact CG2-CD2 3.95Å; I112-F116 HydrophobicContact CG2-CE2 3.85Å; I112-F116 WeakPolarHBondContact O-CD2 3.26Å; I112-F116 PolarHBondContact O-N 3.45Å; F113-F116 PolarHBondContact O-N 3.42Å; E114-F116 VanDerWaalsContact C-N 3.3Å; E114-F116 PolarHBondContact O-N 2.9Å; F116-K118 VanDerWaalsContact C-N 3.27Å; F116-K118 PolarHBondContact O-N 3.45Å; F116-V119 WeakPolarHBondContact O-CB 3.29Å; F116-V119 PolarHBondContact O-N 3.16Å; F116-V119 VanDerWaalsContact O-N 3.11Å; F116-I120 WeakPolarHBondContact O-CG1 3.28Å; F116-I120 PolarHBondContact O-N 2.94Å
117A98.6Very high97.2Very high3 Ų335.5 Ų35.53%0.02521%0.206CC..Hα-helixtrans-57.3-43.1174.500000111.2S72 I74 L77 L85 F113 E114 I120S72-A117 WeakPolarHBondContact O-CB 3.3Å; I74-A117 HydrophobicContact CD1-CB 4.43Å; I74-A117 HydrophobicContact CG1-CB 3.9Å; L77-A117 HydrophobicContact CD1-CB 4.36Å; L85-A117 HydrophobicContact CD1-CB 3.92Å; F113-A117 PolarHBondContact O-N 2.83Å; E114-A117 WeakPolarHBondContact O-CA 3.35Å; E114-A117 WeakPolarHBondContact O-CB 3.29Å; E114-A117 PolarHBondContact O-N 3.16Å; E114-A117 VanDerWaalsContact O-N 3.09Å; A117-I120 PolarHBondContact O-N 3.37Å
118K98.8Very high97.4Very high9 Ų936.9 Ų36.94%0.03921%0.213CC..Hα-helixtrans-60.4-46.4171.7-70171.6176.1176.70111.9F67 Y68 L70 E114 A115 F116 I120 C121 N122F67-K118 HydrophobicContact CE1-CD 4.32Å; F67-K118 HydrophobicContact CZ-CB 4.43Å; F67-K118 HydrophobicContact CZ-CD 4.33Å; Y68-K118 PolarHBondContact O-NZ 3.35Å; L70-K118 HydrophobicContact CB-CB 4.12Å; L70-K118 HydrophobicContact CB-CD 4.02Å; L70-K118 HydrophobicContact CB-CG 3.92Å; L70-K118 HydrophobicContact CD1-CB 4.49Å; L70-K118 WeakPolarHBondContact O-CE 3.41Å; E114-K118 HydrophobicContact CG-CD 4.31Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.83Å; E114-K118 WeakPolarHBondContact OE1-CE 3.5Å; E114-K118 IonicContact OE1-NZ 2.84Å; E114-K118 PolarHBondContact OE1-NZ 2.97Å; A115-K118 PolarHBondContact O-N 3.23Å; F116-K118 VanDerWaalsContact C-N 3.27Å; F116-K118 PolarHBondContact O-N 3.45Å; K118-I120 VanDerWaalsContact C-N 3.29Å; K118-I120 PolarHBondContact O-N 3Å; K118-C121 PolarHBondContact O-N 3.39Å; K118-N122 VanDerWaalsContact O-CB 3.27Å; K118-N122 WeakPolarHBondContact O-CB 3.4Å; K118-N122 PolarHBondContact O-N 3.01Å; K118-N122 VanDerWaalsContact O-N 3.14Å; K118-N122 PolarHBondContact O-ND2 2.88Å
119V98.5Very high97.6Very high1 Ų133.2 Ų33.21%0.00619%0.192CC..Hα-helixtrans-57.6-40.1178.1167.60000111.8L45 L46 A115 F116 C121 S123 L138L45-V119 HydrophobicContact CD2-CG1 4.31Å; L46-V119 HydrophobicContact CD1-CG2 4.24Å; A115-V119 VanDerWaalsContact O-CG2 3.28Å; A115-V119 WeakPolarHBondContact O-CG2 3.39Å; A115-V119 PolarHBondContact O-N 2.93Å; F116-V119 WeakPolarHBondContact O-CB 3.29Å; F116-V119 PolarHBondContact O-N 3.16Å; F116-V119 VanDerWaalsContact O-N 3.11Å; V119-C121 PolarHBondContact O-N 2.87Å; V119-S123 WeakPolarHBondContact CG1-OG 3.36Å; V119-S123 VanDerWaalsContact O-CB 3.28Å; V119-S123 WeakPolarHBondContact O-CB 3.26Å; V119-S123 PolarHBondContact O-N 2.95Å; V119-S123 VanDerWaalsContact O-N 3.14Å; V119-S123 PolarHBondContact O-OG 2.91Å; V119-L138 HydrophobicContact CG2-CD1 4.26Å
120I97.4Very high97.8Very high64 Ų6431.8 Ų31.833%0.32817%0.172SC..Hα-helixtrans-63.3-43.7-175.1-68.3-54000112.9L85 F116 A117 K118 Q197L85-I120 HydrophobicContact CD2-CG1 3.86Å; F116-I120 WeakPolarHBondContact O-CG1 3.28Å; F116-I120 PolarHBondContact O-N 2.94Å; A117-I120 PolarHBondContact O-N 3.37Å; K118-I120 VanDerWaalsContact C-N 3.29Å; K118-I120 PolarHBondContact O-N 3Å; I120-Q197 HydrophobicContact CG2-CG 4.39Å; I120-Q197 PolarHBondContact O-NE2 3.22Å
121C97.1Very high97.8Very high13 Ų1333 Ų339%0.08818%0.178CC..Hα-helixtrans-98.80.9-17660.10000114.6E71 K118 V119 Y198E71-C121 PolarHBondContact O-SG 3.01Å; K118-C121 PolarHBondContact O-N 3.39Å; V119-C121 PolarHBondContact O-N 2.87Å; C121-Y198 HydrophobicContact CB-CD1 4.02Å; C121-Y198 WeakPolarHBondContact O-CE1 3.4Å
122N98.6Very high97.7Very high17 Ų1729.9 Ų29.99%0.09116%0.161CC..Hα-helixtrans-124.71.1-179.7-61.8-84000114L70 E71 K118 F124 L138 S143L70-N122 HydrophobicContact CD1-CB 4.15Å; L70-N122 HydrophobicContact CD2-CB 4.32Å; E71-N122 PolarHBondContact O-ND2 2.78Å; K118-N122 VanDerWaalsContact O-CB 3.27Å; K118-N122 WeakPolarHBondContact O-CB 3.4Å; K118-N122 PolarHBondContact O-N 3.01Å; K118-N122 VanDerWaalsContact O-N 3.14Å; K118-N122 PolarHBondContact O-ND2 2.88Å; N122-F124 VanDerWaalsContact O-CD2 3.28Å; N122-F124 WeakPolarHBondContact O-CD2 3.33Å; N122-F124 WeakPolarHBondContact O-CE2 3.43Å; N122-L138 HydrophobicContact CB-CD2 4Å; N122-L138 WeakPolarHBondContact O-CD2 3.37Å; N122-S143 WeakPolarHBondContact OD1-CB 3.45Å; N122-S143 PolarHBondContact OD1-OG 3.02Å
123S98.4Very high97.6Very high25 Ų2534.9 Ų34.918%0.17518%0.184CC..EExtended strand (participates in β ladder)trans-72130.1176.7-72.30000111.3V119V119-S123 WeakPolarHBondContact CG1-OG 3.36Å; V119-S123 VanDerWaalsContact O-CB 3.28Å; V119-S123 WeakPolarHBondContact O-CB 3.26Å; V119-S123 PolarHBondContact O-N 2.95Å; V119-S123 VanDerWaalsContact O-N 3.14Å; V119-S123 PolarHBondContact O-OG 2.91Å
124F98.5Very high97.6Very high25 Ų2536.5 Ų36.511%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-100.3126.6172.1-68.8-97.1000109.8N122 V126 V136 G137 Y139 M142 I155 F157 L162 I178N122-F124 VanDerWaalsContact O-CD2 3.28Å; N122-F124 WeakPolarHBondContact O-CD2 3.33Å; N122-F124 WeakPolarHBondContact O-CE2 3.43Å; F124-V126 PolarHBondContact O-N 3.41Å; F124-V136 WeakPolarHBondContact O-CA 3.39Å; F124-G137 PolarHBondContact N-O 2.83Å; F124-G137 PolarHBondContact O-N 2.72Å; F124-Y139 HydrophobicContact CB-CD2 3.94Å; F124-Y139 HydrophobicContact CB-CE2 4.12Å; F124-Y139 AromaticContact CD2-CD2 3.78Å; F124-Y139 HydrophobicContact CD2-CD2 3.78Å; F124-Y139 HydrophobicContact CD2-CG 4.5Å; F124-Y139 AromaticContact CG-CD2 3.97Å; F124-Y139 HydrophobicContact CG-CD2 3.97Å; F124-M142 HydrophobicContact CE2-CB 4.5Å; F124-M142 HydrophobicContact CZ-CB 4.04Å; F124-I155 HydrophobicContact CD1-CD1 3.62Å; F124-I155 HydrophobicContact CE1-CD1 3.85Å; F124-F157 HydrophobicContact CB-CZ 4.11Å; F124-L162 HydrophobicContact CD1-CD1 4.35Å; F124-I178 HydrophobicContact CE1-CD1 4.2Å
125T98.3Very high97.5Very high67 Ų6734.9 Ų34.941%0.41120%0.199SC..EExtended strand (participates in β ladder)trans-71.9121166.5-57.50000109.2E133 F157T125-E133 HydrophobicContact CG2-CB 3.75Å; T125-E133 HydrophobicContact CG2-CG 3.54Å; T125-F157 WeakPolarHBondContact O-CE2 3.24Å
126V98.4Very high97.5Very high14 Ų1437.3 Ų37.39%0.08521%0.214CC..EExtended strand (participates in β ladder)trans-88.8119.9178.8-179.70000108.6F124 V134 G135 Y139 F157F124-V126 PolarHBondContact O-N 3.41Å; V126-V134 HydrophobicContact CG1-CG2 4.49Å; V126-V134 WeakPolarHBondContact O-CG2 3.35Å; V126-V134 PolarHBondContact O-N 3.47Å; V126-G135 PolarHBondContact N-O 3.34Å; V126-G135 PolarHBondContact O-N 3.3Å; V126-Y139 HydrophobicContact CG2-CE2 4.37Å; V126-F157 HydrophobicContact CB-CD1 4.46Å; V126-F157 HydrophobicContact CG1-CB 4.23Å; V126-F157 HydrophobicContact CG1-CD1 3.94Å; V126-F157 HydrophobicContact CG1-CE1 4.45Å; V126-F157 HydrophobicContact CG1-CG 3.99Å; V126-F157 HydrophobicContact CG2-CD1 4.27Å; V126-F157 HydrophobicContact CG2-CE1 3.96Å; V126-F157 HydrophobicContact CG2-CZ 4.27Å
127C97.7Very high97.5Very high26 Ų2637.8 Ų37.818%0.17622%0.219CC..EExtended strand (participates in β ladder)trans-99.2150.7174.8-60.50000111.4Q132 F157C127-Q132 CarbonylContact C-O 3.57Å; C127-Q132 VanDerWaalsContact CA-O 3.23Å; C127-Q132 WeakPolarHBondContact CA-O 3.28Å; C127-F157 VanDerWaalsContact O-CB 3.29Å; C127-F157 WeakPolarHBondContact O-CB 3.44Å
128N97.6Very high97.5Very high33 Ų3338.9 Ų38.918%0.17622%0.224CC..  trans-81.4-176.7168.870.6-0.4000111.4E130 M131 Q132 V134N128-E130 VanDerWaalsContact CG-OE2 3.22Å; N128-E130 PolarHBondContact ND2-OE2 2.77Å; N128-E130 PolarHBondContact O-N 2.84Å; N128-E130 PolarHBondContact OD1-N 2.54Å; N128-E130 VanDerWaalsContact OD1-N 3.15Å; N128-E130 PolarHBondContact OD1-OE2 3Å; N128-M131 PolarHBondContact O-N 3.23Å; N128-M131 PolarHBondContact OD1-N 3.09Å; N128-Q132 PolarHBondContact N-O 3.49Å; N128-Q132 WeakPolarHBondContact OD1-CA 3.45Å; N128-Q132 WeakPolarHBondContact OD1-CB 3.35Å; N128-Q132 PolarHBondContact OD1-N 3.4Å; N128-Q132 PolarHBondContact OD1-O 3.36Å; N128-V134 HydrophobicContact CB-CG1 4.1Å; N128-V134 HydrophobicContact CB-CG2 4.2Å
129A96.6Very high97.5Very high30 Ų3040.2 Ų40.225%0.24823%0.229CC..THydrogen-bonded Turntrans-60.4-26.4-179.300000113.3M131 L351A129-M131 VanDerWaalsContact C-N 3.29Å; A129-L351 HydrophobicContact CB-CD1 4.24Å; A129-L351 HydrophobicContact CB-CD2 4.22Å; A129-L351 WeakPolarHBondContact O-CD2 3.38Å
130E94.9Very high97.5Very high98 Ų9840.4 Ų40.446%0.45823%0.23SC..THydrogen-bonded Turntrans-87.77.4177.7-60.972.4-150.800113.6N128 Q132 K316N128-E130 VanDerWaalsContact CG-OE2 3.22Å; N128-E130 PolarHBondContact ND2-OE2 2.77Å; N128-E130 PolarHBondContact O-N 2.84Å; N128-E130 PolarHBondContact OD1-N 2.54Å; N128-E130 VanDerWaalsContact OD1-N 3.15Å; N128-E130 PolarHBondContact OD1-OE2 3Å; E130-Q132 PolarHBondContact O-N 3.47Å; E130-K316 PolarHBondContact O-NZ 2.89Å
131M96.1Very high97.6Very high50 Ų5037.9 Ų37.925%0.24622%0.218CC..SBendtrans65.619.3-175.9-60.4-71.6163.400114.7N128 A129 P308 V309 V312N128-M131 PolarHBondContact O-N 3.23Å; N128-M131 PolarHBondContact OD1-N 3.09Å; A129-M131 VanDerWaalsContact C-N 3.29Å; M131-P308 HydrophobicContact CE-CB 3.79Å; M131-V309 HydrophobicContact CG-CG2 4.3Å; M131-V309 HydrophobicContact SD-CG2 4.03Å; M131-V312 HydrophobicContact CE-CB 4.4Å; M131-V312 HydrophobicContact CE-CG2 3.54Å; M131-V312 HydrophobicContact CG-CB 4.03Å; M131-V312 HydrophobicContact CG-CG1 4.07Å; M131-V312 HydrophobicContact CG-CG2 4.09Å
132Q94.4Very high97.7Very high17 Ų1739.2 Ų39.28%0.07922%0.224CC..  trans-83134.4172.1179.862.145.100110.3C127 N128 E130 V134 W241C127-Q132 CarbonylContact C-O 3.57Å; C127-Q132 VanDerWaalsContact CA-O 3.23Å; C127-Q132 WeakPolarHBondContact CA-O 3.28Å; N128-Q132 PolarHBondContact N-O 3.49Å; N128-Q132 WeakPolarHBondContact OD1-CA 3.45Å; N128-Q132 WeakPolarHBondContact OD1-CB 3.35Å; N128-Q132 PolarHBondContact OD1-N 3.4Å; N128-Q132 PolarHBondContact OD1-O 3.36Å; E130-Q132 PolarHBondContact O-N 3.47Å; Q132-V134 HydrophobicContact CG-CG1 4.47Å; Q132-V134 PolarHBondContact O-N 2.88Å; Q132-W241 HydrophobicContact CG-CZ2 4.37Å
133E96.3Very high97.7Very high124 Ų12439.2 Ų39.258%0.57923%0.225SC*.EExtended strand (participates in β ladder)trans-66.4124.8174.3-54.7-172.817000110.8T125T125-E133 HydrophobicContact CG2-CB 3.75Å; T125-E133 HydrophobicContact CG2-CG 3.54Å
134V97.5Very high97.7Very high79 Ų7941.8 Ų41.848%0.47924%0.237SC..EExtended strand (participates in β ladder)trans-132.9-7.4-175.2-65.50000114.2V126 N128 Q132 W241V126-V134 HydrophobicContact CG1-CG2 4.49Å; V126-V134 WeakPolarHBondContact O-CG2 3.35Å; V126-V134 PolarHBondContact O-N 3.47Å; N128-V134 HydrophobicContact CB-CG1 4.1Å; N128-V134 HydrophobicContact CB-CG2 4.2Å; Q132-V134 HydrophobicContact CG-CG1 4.47Å; Q132-V134 PolarHBondContact O-N 2.88Å; V134-W241 HydrophobicContact CG1-CZ2 4.06Å
135G97.9Very high97.7Very high36 Ų3641.2 Ų41.237%0.37124%0.235SC..EExtended strand (participates in β ladder)trans-170.7179.4178.200000113.6V126V126-G135 PolarHBondContact N-O 3.34Å; V126-G135 PolarHBondContact O-N 3.3Å
136V98.4Very high97.7Very high52 Ų5242.1 Ų42.132%0.31524%0.237SC..EExtended strand (participates in β ladder)trans-135.1142.2174.862.80000108.9D41 L45 F124D41-V136 HydrophobicContact CB-CG1 4.06Å; L45-V136 HydrophobicContact CD2-CG1 4.22Å; L45-V136 HydrophobicContact CD2-CG2 4Å; F124-V136 WeakPolarHBondContact O-CA 3.39Å
137G98.4Very high97.7Very high10 Ų1042.5 Ų42.510%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-149.1165-179.300000113.1F124F124-G137 PolarHBondContact N-O 2.83Å; F124-G137 PolarHBondContact O-N 2.72Å
138L98.6Very high97.8Very high26 Ų2642.2 Ų42.214%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-110.1131.9170.3-73.4167.8000109.1L45 V49 F67 L70 V119 N122L45-L138 HydrophobicContact CD2-CG 4.22Å; V49-L138 HydrophobicContact CG2-CD1 3.47Å; V49-L138 VanDerWaalsContact CG2-CD1 3.47Å; F67-L138 HydrophobicContact CD2-CD1 4.08Å; F67-L138 HydrophobicContact CE2-CD1 3.88Å; L70-L138 HydrophobicContact CD1-CD2 4.48Å; V119-L138 HydrophobicContact CG2-CD1 4.26Å; N122-L138 HydrophobicContact CB-CD2 4Å; N122-L138 WeakPolarHBondContact O-CD2 3.37Å
139Y98.6Very high97.8Very high37 Ų3740.6 Ų40.615%0.14523%0.227CC..  trans-129.276.4177.4-60.8-94.2000108.1F124 V126 S141 M142 S143 F157 P160 L162F124-Y139 HydrophobicContact CB-CD2 3.94Å; F124-Y139 HydrophobicContact CB-CE2 4.12Å; F124-Y139 AromaticContact CD2-CD2 3.78Å; F124-Y139 HydrophobicContact CD2-CD2 3.78Å; F124-Y139 HydrophobicContact CD2-CG 4.5Å; F124-Y139 AromaticContact CG-CD2 3.97Å; F124-Y139 HydrophobicContact CG-CD2 3.97Å; V126-Y139 HydrophobicContact CG2-CE2 4.37Å; Y139-S141 VanDerWaalsContact C-N 3.34Å; Y139-S141 PolarHBondContact O-N 3.47Å; Y139-M142 CarbonylContact O-C 3.26Å; Y139-M142 WeakPolarHBondContact O-CA 3.46Å; Y139-M142 WeakPolarHBondContact O-CB 3.3Å; Y139-M142 PolarHBondContact O-N 2.81Å; Y139-S143 PolarHBondContact O-N 2.8Å; Y139-S143 VanDerWaalsContact O-N 3.1Å; Y139-F157 AromaticContact CE2-CE1 3.79Å; Y139-F157 HydrophobicContact CE2-CE1 3.79Å; Y139-F157 HydrophobicContact CE2-CZ 4.33Å; Y139-F157 AromaticContact CZ-CE1 3.77Å; Y139-P160 PolarHBondContact OH-O 3.42Å; Y139-L162 HydrophobicContact CD1-CB 4Å; Y139-L162 HydrophobicContact CD1-CD1 4.14Å; Y139-L162 HydrophobicContact CD2-CD1 4Å; Y139-L162 HydrophobicContact CE1-CB 3.9Å; Y139-L162 HydrophobicContact CE2-CD1 4.4Å; Y139-L162 HydrophobicContact CG-CD1 3.87Å
140P98.6Very high97.9Very high5 Ų543.8 Ų43.83%0.03224%0.24CC..G310 helixtrans-55.3-41.7-164.8-32.740.4000115.1E62 Y65 L70 M142 S143E62-P140 HydrophobicContact CG-CB 4.13Å; E62-P140 HydrophobicContact CG-CG 3.95Å; Y65-P140 WeakPolarHBondContact O-CB 3.44Å; L70-P140 HydrophobicContact CD2-CB 4.17Å; P140-M142 PolarHBondContact O-N 2.77Å; P140-S143 WeakPolarHBondContact O-CB 3.42Å; P140-S143 PolarHBondContact O-N 3.19Å
141S98.7Very high98.1Very high11 Ų1140.1 Ų40.18%0.07723%0.225CC..G310 helixtrans-60.8-30.6174.4-61.60000113.3S61 K63 L64 Y139S61-S141 VanDerWaalsContact O-CB 3.31Å; S61-S141 WeakPolarHBondContact O-CB 3.36Å; S61-S141 PolarHBondContact O-N 3.34Å; S61-S141 PolarHBondContact O-OG 3.15Å; K63-S141 PolarHBondContact N-OG 3.4Å; L64-S141 PolarHBondContact N-OG 2.93Å; Y139-S141 VanDerWaalsContact C-N 3.34Å; Y139-S141 PolarHBondContact O-N 3.47Å
142M98.6Very high98.2Very high41 Ų4137.8 Ų37.820%0.20221%0.213CC..G310 helixtrans-83.1-18.7177.8-56.9-64.696.100112.2F124 Y139 P140 L144 L145 L162 L164F124-M142 HydrophobicContact CE2-CB 4.5Å; F124-M142 HydrophobicContact CZ-CB 4.04Å; Y139-M142 CarbonylContact O-C 3.26Å; Y139-M142 WeakPolarHBondContact O-CA 3.46Å; Y139-M142 WeakPolarHBondContact O-CB 3.3Å; Y139-M142 PolarHBondContact O-N 2.81Å; P140-M142 PolarHBondContact O-N 2.77Å; M142-L144 PolarHBondContact O-N 3.14Å; M142-L145 PolarHBondContact O-N 2.91Å; M142-L162 HydrophobicContact CB-CD1 4.4Å; M142-L162 HydrophobicContact CG-CD1 4.13Å; M142-L162 HydrophobicContact CG-CD2 3.81Å; M142-L162 HydrophobicContact SD-CD2 3.85Å; M142-L164 HydrophobicContact SD-CB 3.99Å; M142-L164 HydrophobicContact SD-CD2 4.1Å
143S98.6Very high98.4Very high18 Ų1837.1 Ų37.113%0.12621%0.211CC..G310 helixtrans-69-7.6172.7-63.20000113.7N122 Y139 P140 L145N122-S143 WeakPolarHBondContact OD1-CB 3.45Å; N122-S143 PolarHBondContact OD1-OG 3.02Å; Y139-S143 PolarHBondContact O-N 2.8Å; Y139-S143 VanDerWaalsContact O-N 3.1Å; P140-S143 WeakPolarHBondContact O-CB 3.42Å; P140-S143 PolarHBondContact O-N 3.19Å; S143-L145 VanDerWaalsContact C-N 3.25Å; S143-L145 PolarHBondContact O-N 3.45Å
144L98.6Very high98.5Very high79 Ų7932 Ų3241%0.41419%0.188SC..G310 helixtrans-66.8-24.8170.2-77.2172.3000113.5L64 Y65 M142 N146L64-L144 HydrophobicContact CB-CD1 3.79Å; Y65-L144 HydrophobicContact CD1-CD2 4.05Å; Y65-L144 HydrophobicContact CD1-CG 4.25Å; Y65-L144 HydrophobicContact CD2-CD2 3.53Å; Y65-L144 HydrophobicContact CD2-CG 4.15Å; Y65-L144 HydrophobicContact CE1-CD2 4.3Å; Y65-L144 HydrophobicContact CE2-CD2 3.79Å; Y65-L144 HydrophobicContact CG-CD1 4.38Å; Y65-L144 HydrophobicContact CG-CD2 3.66Å; Y65-L144 HydrophobicContact CG-CG 3.84Å; M142-L144 PolarHBondContact O-N 3.14Å; L144-N146 PolarHBondContact O-N 3.06Å
145L98.8Very high98.6Very high13 Ų1329.9 Ų29.97%0.06817%0.174CC..PPolyproline II helixtrans-75.5116.1-173.4-64162.3000110M142 S143 L164 L176 I178 Y180M142-L145 PolarHBondContact O-N 2.91Å; S143-L145 VanDerWaalsContact C-N 3.25Å; S143-L145 PolarHBondContact O-N 3.45Å; L145-L164 HydrophobicContact CD1-CD1 3.48Å; L145-L164 VanDerWaalsContact CD1-CD1 3.48Å; L145-L164 HydrophobicContact CD1-CD2 3.79Å; L145-L164 HydrophobicContact CD1-CG 4.25Å; L145-L164 HydrophobicContact CD2-CD2 4.17Å; L145-L176 HydrophobicContact CD2-CB 3.54Å; L145-L176 HydrophobicContact CD2-CD1 4.5Å; L145-I178 HydrophobicContact CB-CD1 4.2Å; L145-I178 HydrophobicContact CB-CG1 4.01Å; L145-I178 HydrophobicContact CB-CG2 4.44Å; L145-I178 HydrophobicContact CD1-CD1 4.21Å; L145-I178 HydrophobicContact CD1-CG2 3.94Å; L145-Y180 WeakPolarHBondContact O-CE1 3.45Å; L145-Y180 PolarHBondContact O-OH 3.43Å
146N98.7Very high98.6Very high86 Ų8628.4 Ų28.446%0.4616%0.158SC..EExtended strand (participates in β ladder)trans-71.8164.4175.7-80.1-47.8000112.8L144 E175 T177 I178 Y180L144-N146 PolarHBondContact O-N 3.06Å; N146-E175 WeakPolarHBondContact CB-OE1 3.47Å; N146-E175 PolarHBondContact ND2-OE1 3.18Å; N146-T177 VanDerWaalsContact O-CA 3.27Å; N146-T177 WeakPolarHBondContact O-CA 3.38Å; N146-T177 WeakPolarHBondContact O-CB 3.27Å; N146-I178 PolarHBondContact O-N 2.91Å; N146-Y180 WeakPolarHBondContact CA-OH 3.4Å
147H98.7Very high98.6Very high21 Ų2126.8 Ų26.810%0.09715%0.146CC..EExtended strand (participates in β ladder)trans-77.9138.3179.6-179.874.4000112.9C149 I178 Y180 F200H147-C149 PolarHBondContact NE2-N 3.34Å; H147-C149 PolarHBondContact NE2-SG 3.43Å; H147-I178 CarbonylContact C-O 3.33Å; H147-I178 VanDerWaalsContact CA-O 3.32Å; H147-I178 WeakPolarHBondContact CA-O 3.18Å; H147-Y180 HydrophobicContact CB-CD1 4.25Å; H147-Y180 HydrophobicContact CB-CD2 3.75Å; H147-Y180 HydrophobicContact CB-CE1 4.21Å; H147-Y180 HydrophobicContact CB-CE2 3.72Å; H147-Y180 HydrophobicContact CB-CG 4.02Å; H147-Y180 AromaticContact ND1-CD2 3.95Å; H147-Y180 AromaticContact ND1-CG 3.55Å; H147-Y180 PolarHBondContact ND1-N 3.33Å; H147-Y180 VanDerWaalsContact ND1-N 3.15Å; H147-F200 HydrophobicContact CB-CE1 4.34Å; H147-F200 HydrophobicContact CB-CE2 4.39Å; H147-F200 HydrophobicContact CB-CZ 3.6Å; H147-F200 AromaticContact CD2-CZ 3.89Å; H147-F200 AromaticContact CG-CZ 3.87Å
148S98.6Very high98.6Very high20 Ų2028.9 Ų28.914%0.1416%0.156CC..  trans-137.7140.4156.3177.10000110.3D150 I178 C179S148-D150 PolarHBondContact O-N 3.43Å; S148-D150 PolarHBondContact OG-N 3.08Å; S148-D150 PolarHBondContact OG-O 3.47Å; S148-I178 PolarHBondContact N-O 3.4Å; S148-C179 WeakPolarHBondContact O-CA 3.34Å
149C98.6Very high98.5Very high0 Ų029.6 Ų29.60%017%0.169CC..SBendtrans-71.5-11.4170.2-63.50000112.7H147 R190 R206H147-C149 PolarHBondContact NE2-N 3.34Å; H147-C149 PolarHBondContact NE2-SG 3.43Å; C149-R190 PolarHBondContact SG-NE 2.79Å; C149-R190 VanDerWaalsContact SG-NE 3.35Å; C149-R206 HydrophobicContact CB-CB 4.17Å; C149-R206 WeakPolarHBondContact O-CD 3.48Å; C149-R206 PolarHBondContact O-NH1 2.95Å
150D98.3Very high98.5Very high97 Ų9732.9 Ų32.952%0.51920%0.195SC..SBendtrans-134.178.8171.9-171.928.4000108.3S148 R206S148-D150 PolarHBondContact O-N 3.43Å; S148-D150 PolarHBondContact OG-N 3.08Å; S148-D150 PolarHBondContact OG-O 3.47Å; D150-R206 HydrophobicContact CB-CG 4.46Å
151P98.6Very high98.5Very high20 Ų2038.2 Ų38.213%0.1322%0.219CC..  trans-80.5157.9-167.133.8-37.6000113C153 T177 C179P151-C153 WeakPolarHBondContact CB-O 3.26Å; P151-T177 WeakPolarHBondContact CB-O 3.23Å; P151-C179 HydrophobicContact CG-CB 4.02Å
152N98.8Very high98.5Very high1 Ų138.6 Ų38.61%0.00522%0.22CC..SBendtrans-95.7-10.6171.764.216.4000114.2V167 R168 I170 E174 E175 L176 T177N152-V167 WeakPolarHBondContact O-CG2 3.41Å; N152-V167 PolarHBondContact O-N 2.97Å; N152-R168 HydrophobicContact CB-CG 3.65Å; N152-I170 HydrophobicContact CB-CD1 4.07Å; N152-I170 HydrophobicContact CB-CG1 4.15Å; N152-E174 PolarHBondContact ND2-OE1 3.19Å; N152-E175 PolarHBondContact ND2-O 3.15Å; N152-L176 WeakPolarHBondContact OD1-CA 3.45Å; N152-T177 PolarHBondContact N-O 3.03Å; N152-T177 PolarHBondContact N-OG1 3.45Å; N152-T177 PolarHBondContact OD1-N 3.34Å; N152-T177 PolarHBondContact OD1-O 3.32Å
153C98.9Very high98.5Very high4 Ų437.6 Ų37.63%0.02722%0.216CC..EExtended strand (participates in β ladder)trans-126.2162.3174.6-70.20000111.6P151 L164 R165 T177 I178P151-C153 WeakPolarHBondContact CB-O 3.26Å; C153-L164 HydrophobicContact CB-CD1 3.9Å; C153-R165 CarbonylContact C-O 3.6Å; C153-R165 VanDerWaalsContact CA-O 3.24Å; C153-R165 WeakPolarHBondContact CA-O 3.21Å; C153-T177 WeakPolarHBondContact CA-O 3.48Å; C153-T177 WeakPolarHBondContact CB-O 3.47Å; C153-T177 PolarHBondContact N-O 2.95Å; C153-I178 HydrophobicContact CB-CG2 3.9Å
154S98.6Very high98.5Very high16 Ų1639.6 Ų39.611%0.11223%0.225CC..EExtended strand (participates in β ladder)trans-140.6153.5173-168.70000110.5R165 P308S154-R165 PolarHBondContact N-O 3.01Å; S154-R165 PolarHBondContact O-N 3.34Å; S154-P308 VanDerWaalsContact OG-CD 3.25Å; S154-P308 WeakPolarHBondContact OG-CD 3.23Å; S154-P308 WeakPolarHBondContact OG-CG 3.42Å
155I98.6Very high98.5Very high35 Ų3539.1 Ų39.118%0.17922%0.217CC..EExtended strand (participates in β ladder)trans-110.4143.3174.662.7171.7000110.2F124 F157 L162 L163 L164 I178F124-I155 HydrophobicContact CD1-CD1 3.62Å; F124-I155 HydrophobicContact CE1-CD1 3.85Å; I155-F157 HydrophobicContact CD1-CE2 4.2Å; I155-F157 HydrophobicContact CD1-CZ 4.31Å; I155-L162 HydrophobicContact CB-CD2 4.16Å; I155-L162 HydrophobicContact CB-CG 4.28Å; I155-L162 HydrophobicContact CD1-CD1 4.29Å; I155-L162 HydrophobicContact CG2-CD2 3.88Å; I155-L162 HydrophobicContact CG2-CG 4.43Å; I155-L163 VanDerWaalsContact CA-O 3.31Å; I155-L163 WeakPolarHBondContact CA-O 3.46Å; I155-L164 HydrophobicContact CG2-CD1 3.83Å; I155-I178 HydrophobicContact CG2-CD1 4.34Å; I155-I178 HydrophobicContact CG2-CG2 4.34Å
156V98.5Very high98.5Very high4 Ų441 Ų412%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-135.2154.1168.9-62.40000110.4L163 P308 T344V156-L163 HydrophobicContact CG2-CB 3.86Å; V156-L163 HydrophobicContact CG2-CD1 4.19Å; V156-L163 HydrophobicContact CG2-CG 4.47Å; V156-L163 PolarHBondContact N-O 3.32Å; V156-L163 PolarHBondContact O-N 3.49Å; V156-P308 HydrophobicContact CG1-CB 3.45Å; V156-P308 VanDerWaalsContact CG1-CB 3.45Å; V156-P308 HydrophobicContact CG1-CG 3.91Å; V156-T344 WeakPolarHBondContact CG1-O 3.5Å; V156-T344 WeakPolarHBondContact CG2-O 3.13Å
157F98.7Very high98.5Very high18 Ų1838.3 Ų38.38%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-112.7124.8-178.1-70.6-77.2000111.4F124 T125 V126 C127 Y139 I155 H161 L162 H349F124-F157 HydrophobicContact CB-CZ 4.11Å; T125-F157 WeakPolarHBondContact O-CE2 3.24Å; V126-F157 HydrophobicContact CB-CD1 4.46Å; V126-F157 HydrophobicContact CG1-CB 4.23Å; V126-F157 HydrophobicContact CG1-CD1 3.94Å; V126-F157 HydrophobicContact CG1-CE1 4.45Å; V126-F157 HydrophobicContact CG1-CG 3.99Å; V126-F157 HydrophobicContact CG2-CD1 4.27Å; V126-F157 HydrophobicContact CG2-CE1 3.96Å; V126-F157 HydrophobicContact CG2-CZ 4.27Å; C127-F157 VanDerWaalsContact O-CB 3.29Å; C127-F157 WeakPolarHBondContact O-CB 3.44Å; Y139-F157 AromaticContact CE2-CE1 3.79Å; Y139-F157 HydrophobicContact CE2-CE1 3.79Å; Y139-F157 HydrophobicContact CE2-CZ 4.33Å; Y139-F157 AromaticContact CZ-CE1 3.77Å; I155-F157 HydrophobicContact CD1-CE2 4.2Å; I155-F157 HydrophobicContact CD1-CZ 4.31Å; F157-H161 CarbonylContact C-O 3.44Å; F157-H161 WeakPolarHBondContact CA-O 3.46Å; F157-L162 HydrophobicContact CD1-CB 4.08Å; F157-L162 HydrophobicContact CD1-CG 4.44Å; F157-L162 HydrophobicContact CE1-CB 3.79Å; F157-L162 HydrophobicContact CE1-CD1 3.74Å; F157-L162 HydrophobicContact CE1-CG 3.91Å; F157-L162 HydrophobicContact CZ-CD1 3.82Å; F157-L162 HydrophobicContact CZ-CG 4.26Å; F157-H349 PolarHBondContact O-NE2 3.04Å; F157-H349 VanDerWaalsContact O-NE2 3.1Å
158N97.9Very high98.5Very high55 Ų5543.4 Ų43.429%0.29424%0.24SC..EExtended strand (participates in β ladder)trans-104.889.4165.3-170.7-5.5000108.9H161 S350N158-H161 PolarHBondContact N-O 3.47Å; N158-H161 WeakPolarHBondContact O-CB 3.34Å; N158-H161 PolarHBondContact O-N 2.62Å; N158-H161 VanDerWaalsContact O-N 3.17Å; N158-S350 PolarHBondContact ND2-N 3.44Å; N158-S350 PolarHBondContact OD1-OG 3.4Å
159G97.3Very high98.5Very high40 Ų4049.7 Ų49.741%0.41227%0.271SS..THydrogen-bonded Turntrans61.1-132.6-163.400000110.2H161G159-H161 PolarHBondContact O-N 3.14Å
160P97.5Very high98.5Very high107 Ų10752.2 Ų52.270%0.69529%0.285SS*.THydrogen-bonded Turntrans-81.24.317635.6-36.3000113.7Y139Y139-P160 PolarHBondContact OH-O 3.42Å
161H98.3Very high98.5Very high116 Ų11655.1 Ų55.154%0.53730%0.295SS..EExtended strand (participates in β ladder)trans-91124179.4-171.469000110.4F157 N158 G159 L163F157-H161 CarbonylContact C-O 3.44Å; F157-H161 WeakPolarHBondContact CA-O 3.46Å; N158-H161 PolarHBondContact N-O 3.47Å; N158-H161 WeakPolarHBondContact O-CB 3.34Å; N158-H161 PolarHBondContact O-N 2.62Å; N158-H161 VanDerWaalsContact O-N 3.17Å; G159-H161 PolarHBondContact O-N 3.14Å; H161-L163 WeakPolarHBondContact NE2-CD2 3.17Å
162L98.6Very high98.5Very high19 Ų1959.6 Ų59.610%0.09933%0.334CS..EExtended strand (participates in β ladder)trans-96.1128.7179.6-173.1162.3000110F124 Y139 M142 I155 F157 L164F124-L162 HydrophobicContact CD1-CD1 4.35Å; Y139-L162 HydrophobicContact CD1-CB 4Å; Y139-L162 HydrophobicContact CD1-CD1 4.14Å; Y139-L162 HydrophobicContact CD2-CD1 4Å; Y139-L162 HydrophobicContact CE1-CB 3.9Å; Y139-L162 HydrophobicContact CE2-CD1 4.4Å; Y139-L162 HydrophobicContact CG-CD1 3.87Å; M142-L162 HydrophobicContact CB-CD1 4.4Å; M142-L162 HydrophobicContact CG-CD1 4.13Å; M142-L162 HydrophobicContact CG-CD2 3.81Å; M142-L162 HydrophobicContact SD-CD2 3.85Å; I155-L162 HydrophobicContact CB-CD2 4.16Å; I155-L162 HydrophobicContact CB-CG 4.28Å; I155-L162 HydrophobicContact CD1-CD1 4.29Å; I155-L162 HydrophobicContact CG2-CD2 3.88Å; I155-L162 HydrophobicContact CG2-CG 4.43Å; F157-L162 HydrophobicContact CD1-CB 4.08Å; F157-L162 HydrophobicContact CD1-CG 4.44Å; F157-L162 HydrophobicContact CE1-CB 3.79Å; F157-L162 HydrophobicContact CE1-CD1 3.74Å; F157-L162 HydrophobicContact CE1-CG 3.91Å; F157-L162 HydrophobicContact CZ-CD1 3.82Å; F157-L162 HydrophobicContact CZ-CG 4.26Å; L162-L164 HydrophobicContact CD2-CB 4.43Å
163L98.7Very high98.4Very high21 Ų2163.7 Ų63.711%0.1138%0.376CS..EExtended strand (participates in β ladder)trans-109124.1170.9-58.8174.5000109.4I155 V156 H161 E348 H349I155-L163 VanDerWaalsContact CA-O 3.31Å; I155-L163 WeakPolarHBondContact CA-O 3.46Å; V156-L163 HydrophobicContact CG2-CB 3.86Å; V156-L163 HydrophobicContact CG2-CD1 4.19Å; V156-L163 HydrophobicContact CG2-CG 4.47Å; V156-L163 PolarHBondContact N-O 3.32Å; V156-L163 PolarHBondContact O-N 3.49Å; H161-L163 WeakPolarHBondContact NE2-CD2 3.17Å; L163-E348 HydrophobicContact CD1-CB 4.21Å; L163-E348 HydrophobicContact CD2-CB 4.46Å; L163-H349 HydrophobicContact CD1-CB 3.95Å
164L98.8Very high98.4Very high60 Ų6066.3 Ų66.331%0.31439%0.388SS..EExtended strand (participates in β ladder)trans-98.3129.4171.6176.468.6000109.3M142 L145 C153 I155 L162 I178M142-L164 HydrophobicContact SD-CB 3.99Å; M142-L164 HydrophobicContact SD-CD2 4.1Å; L145-L164 HydrophobicContact CD1-CD1 3.48Å; L145-L164 VanDerWaalsContact CD1-CD1 3.48Å; L145-L164 HydrophobicContact CD1-CD2 3.79Å; L145-L164 HydrophobicContact CD1-CG 4.25Å; L145-L164 HydrophobicContact CD2-CD2 4.17Å; C153-L164 HydrophobicContact CB-CD1 3.9Å; I155-L164 HydrophobicContact CG2-CD1 3.83Å; L162-L164 HydrophobicContact CD2-CB 4.43Å; L164-I178 HydrophobicContact CD1-CG2 4.03Å
165R98.8Very high98.4Very high69 Ų6970.8 Ų70.826%0.2641%0.407SS..EExtended strand (participates in β ladder)trans-139.3142.3-178.8-54.2-172.675.391.84.1111.7C153 S154 V343 T344 H345 E348C153-R165 CarbonylContact C-O 3.6Å; C153-R165 VanDerWaalsContact CA-O 3.24Å; C153-R165 WeakPolarHBondContact CA-O 3.21Å; S154-R165 PolarHBondContact N-O 3.01Å; S154-R165 PolarHBondContact O-N 3.34Å; R165-V343 VanDerWaalsContact CD-O 3.25Å; R165-V343 WeakPolarHBondContact CD-O 3.39Å; R165-V343 PolarHBondContact NE-O 3.11Å; R165-T344 VanDerWaalsContact CD-O 3.29Å; R165-T344 WeakPolarHBondContact CD-O 3.39Å; R165-H345 WeakPolarHBondContact CD-O 3.38Å; R165-H345 PolarHBondContact NH1-O 3.38Å; R165-E348 IonicContact CZ-OE2 2.63Å; R165-E348 IonicContact NH1-OE2 2.8Å; R165-E348 PolarHBondContact NH1-OE2 2.65Å; R165-E348 IonicContact NH2-OE2 3.08Å
166A98.8Very high98.4Very high53 Ų5372.7 Ų72.744%0.43842%0.417SS..EExtended strand (participates in β ladder)trans-67139.7167.100000110.2I170A166-I170 HydrophobicContact CB-CD1 3.7Å; A166-I170 HydrophobicContact CB-CG1 4.37Å
167V98.6Very high98.5Very high28 Ų2873.4 Ų73.417%0.1742%0.422CS..SBendtrans-117.7-0.8-180-63.90000113.7N152 S306 V343 T344N152-V167 WeakPolarHBondContact O-CG2 3.41Å; N152-V167 PolarHBondContact O-N 2.97Å; V167-S306 WeakPolarHBondContact CG1-O 3.25Å; V167-V343 HydrophobicContact CB-CG1 4.44Å; V167-V343 HydrophobicContact CG1-CG1 4.35Å; V167-T344 HydrophobicContact CG1-CG2 4.06Å
168R98.2Very high98.5Very high129 Ų12972.8 Ų72.849%0.48742%0.419SS..SBendtrans-149.2169.7170.754.1-175.7-77.2-100.3-15.2108.7N152 I170 E174N152-R168 HydrophobicContact CB-CG 3.65Å; R168-I170 WeakPolarHBondContact O-CG1 3.34Å; R168-E174 IonicContact CZ-OE1 2.76Å; R168-E174 IonicContact NH1-OE1 2.79Å; R168-E174 PolarHBondContact NH1-OE1 2.99Å; R168-E174 IonicContact NH2-OE1 3.3Å
169D98.5Very high98.5Very high151 Ų15171.4 Ų71.481%0.80741%0.414SS*.  trans-61.7141.6170.6-61.9-50000110.1
170I98.8Very high98.6Very high54 Ų5472.3 Ų72.328%0.27741%0.405SS..  trans-130126.5-175.7-54.9-175.7000108.3N152 A166 R168 E174 L176N152-I170 HydrophobicContact CB-CD1 4.07Å; N152-I170 HydrophobicContact CB-CG1 4.15Å; A166-I170 HydrophobicContact CB-CD1 3.7Å; A166-I170 HydrophobicContact CB-CG1 4.37Å; R168-I170 WeakPolarHBondContact O-CG1 3.34Å; I170-E174 WeakPolarHBondContact CA-OE2 3.27Å; I170-E174 HydrophobicContact CG2-CB 3.84Å; I170-E174 HydrophobicContact CG2-CG 4.21Å; I170-L176 HydrophobicContact CD1-CD2 3.59Å; I170-L176 HydrophobicContact CG2-CD2 3.92Å
171E98.6Very high98.6Very high157 Ų15768 Ų6873%0.73438%0.376SS*.  trans-79.3156.4178.6-66.3-175.5-167.300112.2G173 E174E171-G173 PolarHBondContact O-N 3.18Å; E171-E174 HydrophobicContact CB-CB 4.36Å; E171-E174 PolarHBondContact N-OE2 3.2Å; E171-E174 VanDerWaalsContact O-CB 3.3Å; E171-E174 WeakPolarHBondContact O-CB 3.41Å; E171-E174 PolarHBondContact O-N 3.23Å
172A98.4Very high98.5Very high114 Ų11465.5 Ų65.594%0.94237%0.367SS*.THydrogen-bonded Turntrans-63.6121176.200000110.5
173G98.2Very high98.4Very high87 Ų8765 Ų6590%0.89736%0.364SS*.THydrogen-bonded Turntrans88.6-3.4-17600000114.5E171E171-G173 PolarHBondContact O-N 3.18Å
174E98.6Very high98.4Very high59 Ų5964.2 Ų64.228%0.27636%0.36SS..PPolyproline II helixtrans-66.9134.7168.2-173.8-178164.100109.8N152 R168 I170 E171N152-E174 PolarHBondContact ND2-OE1 3.19Å; R168-E174 IonicContact CZ-OE1 2.76Å; R168-E174 IonicContact NH1-OE1 2.79Å; R168-E174 PolarHBondContact NH1-OE1 2.99Å; R168-E174 IonicContact NH2-OE1 3.3Å; I170-E174 WeakPolarHBondContact CA-OE2 3.27Å; I170-E174 HydrophobicContact CG2-CB 3.84Å; I170-E174 HydrophobicContact CG2-CG 4.21Å; E171-E174 HydrophobicContact CB-CB 4.36Å; E171-E174 PolarHBondContact N-OE2 3.2Å; E171-E174 VanDerWaalsContact O-CB 3.3Å; E171-E174 WeakPolarHBondContact O-CB 3.41Å; E171-E174 PolarHBondContact O-N 3.23Å
175E98.6Very high98.4Very high111 Ų11162.3 Ų62.352%0.51935%0.349SS..PPolyproline II helixtrans-67.7136.7178-177.6175.6-169.100111.2N146 N152 T177N146-E175 WeakPolarHBondContact CB-OE1 3.47Å; N146-E175 PolarHBondContact ND2-OE1 3.18Å; N152-E175 PolarHBondContact ND2-O 3.15Å; E175-T177 HydrophobicContact CG-CG2 4.25Å
176L98.9Very high98.4Very high75 Ų7559.4 Ų59.439%0.39334%0.34SS..PPolyproline II helixtrans-83.2123.6174.6-56.2-175.8000110L145 N152 I170L145-L176 HydrophobicContact CD2-CB 3.54Å; L145-L176 HydrophobicContact CD2-CD1 4.5Å; N152-L176 WeakPolarHBondContact OD1-CA 3.45Å; I170-L176 HydrophobicContact CD1-CD2 3.59Å; I170-L176 HydrophobicContact CG2-CD2 3.92Å
177T98.9Very high98.4Very high19 Ų1957 Ų5712%0.11732%0.319CS..EExtended strand (participates in β ladder)trans-127.6148.4-178.456.50000111.8N146 P151 N152 C153 E175N146-T177 VanDerWaalsContact O-CA 3.27Å; N146-T177 WeakPolarHBondContact O-CA 3.38Å; N146-T177 WeakPolarHBondContact O-CB 3.27Å; P151-T177 WeakPolarHBondContact CB-O 3.23Å; N152-T177 PolarHBondContact N-O 3.03Å; N152-T177 PolarHBondContact N-OG1 3.45Å; N152-T177 PolarHBondContact OD1-N 3.34Å; N152-T177 PolarHBondContact OD1-O 3.32Å; C153-T177 WeakPolarHBondContact CA-O 3.48Å; C153-T177 WeakPolarHBondContact CB-O 3.47Å; C153-T177 PolarHBondContact N-O 2.95Å; E175-T177 HydrophobicContact CG-CG2 4.25Å
178I98.9Very high98.4Very high4 Ų462.6 Ų62.62%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-125.5158.2172.761.2170.7000109.9F124 L145 N146 H147 S148 C153 I155 L164 Y180F124-I178 HydrophobicContact CE1-CD1 4.2Å; L145-I178 HydrophobicContact CB-CD1 4.2Å; L145-I178 HydrophobicContact CB-CG1 4.01Å; L145-I178 HydrophobicContact CB-CG2 4.44Å; L145-I178 HydrophobicContact CD1-CD1 4.21Å; L145-I178 HydrophobicContact CD1-CG2 3.94Å; N146-I178 PolarHBondContact O-N 2.91Å; H147-I178 CarbonylContact C-O 3.33Å; H147-I178 VanDerWaalsContact CA-O 3.32Å; H147-I178 WeakPolarHBondContact CA-O 3.18Å; S148-I178 PolarHBondContact N-O 3.4Å; C153-I178 HydrophobicContact CB-CG2 3.9Å; I155-I178 HydrophobicContact CG2-CD1 4.34Å; I155-I178 HydrophobicContact CG2-CG2 4.34Å; L164-I178 HydrophobicContact CD1-CG2 4.03Å; I178-Y180 HydrophobicContact CD1-CD1 4.09Å; I178-Y180 HydrophobicContact CD1-CE1 3.94Å; I178-Y180 HydrophobicContact CG1-CD1 3.79Å; I178-Y180 HydrophobicContact CG1-CE1 3.6Å
179C98.6Very high98.4Very high27 Ų2758.5 Ų58.518%0.18233%0.33CS..  trans-83.7128.9168.4-169.60000109S148 P151 L181 M183S148-C179 WeakPolarHBondContact O-CA 3.34Å; P151-C179 HydrophobicContact CG-CB 4.02Å; C179-L181 VanDerWaalsContact C-N 3.33Å; C179-L181 PolarHBondContact SG-O 2.86Å; C179-M183 HydrophobicContact CB-SD 4.43Å
180Y98.5Very high98.4Very high59 Ų5951.4 Ų51.423%0.23129%0.292CS..  trans-88.2-8178.4-65.9-5.1000112.7L145 N146 H147 I178 Y198L145-Y180 WeakPolarHBondContact O-CE1 3.45Å; L145-Y180 PolarHBondContact O-OH 3.43Å; N146-Y180 WeakPolarHBondContact CA-OH 3.4Å; H147-Y180 HydrophobicContact CB-CD1 4.25Å; H147-Y180 HydrophobicContact CB-CD2 3.75Å; H147-Y180 HydrophobicContact CB-CE1 4.21Å; H147-Y180 HydrophobicContact CB-CE2 3.72Å; H147-Y180 HydrophobicContact CB-CG 4.02Å; H147-Y180 AromaticContact ND1-CD2 3.95Å; H147-Y180 AromaticContact ND1-CG 3.55Å; H147-Y180 PolarHBondContact ND1-N 3.33Å; H147-Y180 VanDerWaalsContact ND1-N 3.15Å; I178-Y180 HydrophobicContact CD1-CD1 4.09Å; I178-Y180 HydrophobicContact CD1-CE1 3.94Å; I178-Y180 HydrophobicContact CG1-CD1 3.79Å; I178-Y180 HydrophobicContact CG1-CE1 3.6Å; Y180-Y198 AromaticContact CD2-CD1 3.73Å; Y180-Y198 HydrophobicContact CD2-CD1 3.73Å; Y180-Y198 HydrophobicContact CD2-CD2 4.18Å; Y180-Y198 AromaticContact CD2-CE1 3.51Å; Y180-Y198 HydrophobicContact CD2-CE1 3.51Å; Y180-Y198 AromaticContact CD2-CE2 3.98Å; Y180-Y198 HydrophobicContact CD2-CE2 3.98Å; Y180-Y198 HydrophobicContact CD2-CG 4.06Å; Y180-Y198 AromaticContact CD2-CZ 3.64Å; Y180-Y198 AromaticContact CE2-CD1 3.84Å; Y180-Y198 HydrophobicContact CE2-CD1 3.84Å; Y180-Y198 AromaticContact CE2-CE1 3.88Å; Y180-Y198 HydrophobicContact CE2-CE1 3.88Å; Y180-Y198 HydrophobicContact CE2-CG 4.39Å; Y180-Y198 HydrophobicContact CG-CE1 4.32Å
181L98.2Very high98.4Very high16 Ų1651.8 Ų51.88%0.08429%0.29CS..SBendtrans-122.7164.6-163.9-53.4177.6000110C179 M185 R190 Q193 L194 Y198C179-L181 VanDerWaalsContact C-N 3.33Å; C179-L181 PolarHBondContact SG-O 2.86Å; L181-M185 HydrophobicContact CB-SD 4.03Å; L181-R190 HydrophobicContact CD1-CB 3.59Å; L181-R190 HydrophobicContact CD1-CG 3.62Å; L181-Q193 HydrophobicContact CD2-CB 4.11Å; L181-Q193 VanDerWaalsContact CD2-CD 3.47Å; L181-Q193 HydrophobicContact CD2-CG 3.78Å; L181-L194 HydrophobicContact CD1-CD1 4.1Å; L181-L194 HydrophobicContact CD1-CD2 3.85Å; L181-L194 HydrophobicContact CD1-CG 3.82Å; L181-L194 HydrophobicContact CD2-CD2 3.95Å; L181-L194 HydrophobicContact CG-CD2 4.04Å; L181-Y198 HydrophobicContact CD2-CE2 4.48Å
182D96.1Very high98.4Very high64 Ų6450 Ų5034%0.34228%0.28SS..  trans-64.4141.8163.9-175.42.2000110.1L184 M185 K270D182-L184 VanDerWaalsContact C-N 3.28Å; D182-L184 PolarHBondContact OD1-N 3.28Å; D182-M185 HydrophobicContact CB-CG 4.11Å; D182-M185 HydrophobicContact CB-SD 4.09Å; D182-K270 IonicContact OD2-NZ 3.66Å; D182-K270 PolarHBondContact OD2-NZ 3.47Å
183M97.6Very high98.4Very high7 Ų747.7 Ų47.73%0.03425%0.249CC..SBendtrans-73.6-22.8175.7-63.4-61.9-69.800112.1C179 M185 M216 F302 F303C179-M183 HydrophobicContact CB-SD 4.43Å; M183-M185 PolarHBondContact O-N 3Å; M183-M185 VanDerWaalsContact O-N 3.08Å; M183-M216 WeakPolarHBondContact O-CE 3.48Å; M183-F302 WeakPolarHBondContact CE-O 3.28Å; M183-F303 HydrophobicContact CB-CD1 3.69Å; M183-F303 HydrophobicContact CB-CE1 3.46Å; M183-F303 VanDerWaalsContact CB-CE1 3.46Å; M183-F303 HydrophobicContact CB-CG 4.42Å; M183-F303 HydrophobicContact CB-CZ 3.99Å; M183-F303 HydrophobicContact CG-CD1 3.59Å; M183-F303 HydrophobicContact CG-CE1 3.62Å
184L98.3Very high98.4Very high5 Ų543.5 Ų43.53%0.02621%0.207CC..SBendtrans-85.455.6176.7-56.4-173.4000111.3D182 I266 L269 K270 F302 F303D182-L184 VanDerWaalsContact C-N 3.28Å; D182-L184 PolarHBondContact OD1-N 3.28Å; L184-I266 HydrophobicContact CB-CB 4.4Å; L184-I266 HydrophobicContact CB-CG2 4.39Å; L184-I266 HydrophobicContact CD2-CG2 4.35Å; L184-L269 HydrophobicContact CD1-CD2 3.89Å; L184-L269 HydrophobicContact CD1-CG 4.16Å; L184-L269 HydrophobicContact CD2-CD2 3.74Å; L184-L269 HydrophobicContact CG-CD2 4.49Å; L184-K270 HydrophobicContact CD1-CG 4.03Å; L184-K270 WeakPolarHBondContact O-CE 3.48Å; L184-F302 HydrophobicContact CD2-CB 3.72Å; L184-F302 HydrophobicContact CD2-CD2 3.8Å; L184-F302 HydrophobicContact CD2-CG 4.01Å; L184-F303 HydrophobicContact CD1-CE2 4.47Å; L184-F303 HydrophobicContact CD1-CZ 4.48Å; L184-F303 HydrophobicContact CD2-CE2 3.78Å; L184-F303 HydrophobicContact CD2-CZ 4.14Å; L184-F303 HydrophobicContact CG-CE2 4.07Å; L184-F303 HydrophobicContact CG-CZ 3.97Å
185M98.7Very high98.4Very high20 Ų2045.4 Ų45.410%0.09921%0.211CC..  trans-139.2136.8178.2-65.6179.47400110.3L181 D182 M183 E189 R190 Q193L181-M185 HydrophobicContact CB-SD 4.03Å; D182-M185 HydrophobicContact CB-CG 4.11Å; D182-M185 HydrophobicContact CB-SD 4.09Å; M183-M185 PolarHBondContact O-N 3Å; M183-M185 VanDerWaalsContact O-N 3.08Å; M185-E189 HydrophobicContact CB-CB 4.24Å; M185-E189 HydrophobicContact CE-CB 3.72Å; M185-R190 HydrophobicContact CB-CG 3.66Å; M185-R190 PolarHBondContact O-NH1 2.96Å; M185-R190 HydrophobicContact SD-CG 4.46Å; M185-Q193 HydrophobicContact CE-CB 4.29Å; M185-Q193 VanDerWaalsContact CE-OE1 3.28Å
186T98.8Very high98.2Very high9 Ų943.7 Ų43.76%0.05521%0.206CC..  trans-67.9162.5170.761.70000111.6E188 E189 R190 D213 M216 L217 I266T186-E188 PolarHBondContact O-N 2.79Å; T186-E189 PolarHBondContact N-OE2 3.25Å; T186-E189 PolarHBondContact O-N 3.41Å; T186-E189 VanDerWaalsContact OG1-CG 3.29Å; T186-E189 WeakPolarHBondContact OG1-CG 3.39Å; T186-E189 PolarHBondContact OG1-N 2.89Å; T186-E189 PolarHBondContact OG1-OE2 2.9Å; T186-R190 VanDerWaalsContact C-NH1 3.32Å; T186-R190 VanDerWaalsContact O-CG 3.3Å; T186-R190 WeakPolarHBondContact O-CG 3.46Å; T186-R190 PolarHBondContact O-N 3.3Å; T186-D213 WeakPolarHBondContact CA-OD1 3.38Å; T186-M216 HydrophobicContact CG2-CB 4.43Å; T186-M216 HydrophobicContact CG2-SD 4.42Å; T186-L217 HydrophobicContact CG2-CD1 4.02Å; T186-L217 HydrophobicContact CG2-CD2 3.95Å; T186-L217 HydrophobicContact CG2-CG 3.92Å; T186-I266 HydrophobicContact CG2-CD1 4.07Å
187S98.5Very high98.1Very high2 Ų242.7 Ų42.71%0.01420%0.199CC..Hα-helixtrans-60.9-30.7177.974.50000113.2R191 D213S187-R191 VanDerWaalsContact O-CB 3.22Å; S187-R191 WeakPolarHBondContact O-CB 3.23Å; S187-R191 PolarHBondContact O-N 3.45Å; S187-R191 PolarHBondContact O-NH1 2.9Å; S187-D213 WeakPolarHBondContact CB-OD2 3.37Å; S187-D213 VanDerWaalsContact N-CG 3.31Å; S187-D213 PolarHBondContact N-OD1 3.25Å; S187-D213 PolarHBondContact N-OD2 3.14Å; S187-D213 PolarHBondContact OG-OD2 3.44Å
188E98.4Very high98.1Very high145 Ų14543.1 Ų43.168%0.67820%0.198SC*.Hα-helixtrans-67.9-49.1175.2-174.6175.4-175.700111.9T186 R190 R191 K192T186-E188 PolarHBondContact O-N 2.79Å; E188-R190 VanDerWaalsContact C-N 3.33Å; E188-R190 PolarHBondContact O-N 3.26Å; E188-R191 PolarHBondContact O-N 3.04Å; E188-K192 PolarHBondContact O-N 2.99Å
189E98.6Very high98Very high43 Ų4343.7 Ų43.720%0.20120%0.203CC..Hα-helixtrans-59.8-44.8176.2-69.4168.5129.800111M185 T186 R191 K192 Q193 Q228 Y267M185-E189 HydrophobicContact CB-CB 4.24Å; M185-E189 HydrophobicContact CE-CB 3.72Å; T186-E189 PolarHBondContact N-OE2 3.25Å; T186-E189 PolarHBondContact O-N 3.41Å; T186-E189 VanDerWaalsContact OG1-CG 3.29Å; T186-E189 WeakPolarHBondContact OG1-CG 3.39Å; T186-E189 PolarHBondContact OG1-N 2.89Å; T186-E189 PolarHBondContact OG1-OE2 2.9Å; E189-R191 PolarHBondContact O-N 3.14Å; E189-K192 PolarHBondContact O-N 3.01Å; E189-Q193 PolarHBondContact O-N 3.3Å; E189-Q228 PolarHBondContact OE1-NE2 3.05Å; E189-Y267 PolarHBondContact OE1-OH 2.92Å; E189-Y267 VanDerWaalsContact OE1-OH 3.11Å
190R98.7Very high98Very high3 Ų345.3 Ų45.31%0.01121%0.207CC..Hα-helixtrans-59.1-49.4175.7-67.1-168.2-48.9-90.64.1110.9C149 L181 M185 T186 E188 K192 Q193 L194 D213C149-R190 PolarHBondContact SG-NE 2.79Å; C149-R190 VanDerWaalsContact SG-NE 3.35Å; L181-R190 HydrophobicContact CD1-CB 3.59Å; L181-R190 HydrophobicContact CD1-CG 3.62Å; M185-R190 HydrophobicContact CB-CG 3.66Å; M185-R190 PolarHBondContact O-NH1 2.96Å; M185-R190 HydrophobicContact SD-CG 4.46Å; T186-R190 VanDerWaalsContact C-NH1 3.32Å; T186-R190 VanDerWaalsContact O-CG 3.3Å; T186-R190 WeakPolarHBondContact O-CG 3.46Å; T186-R190 PolarHBondContact O-N 3.3Å; E188-R190 VanDerWaalsContact C-N 3.33Å; E188-R190 PolarHBondContact O-N 3.26Å; R190-K192 VanDerWaalsContact C-N 3.3Å; R190-K192 PolarHBondContact O-N 3.46Å; R190-Q193 PolarHBondContact O-N 3.45Å; R190-L194 WeakPolarHBondContact O-CB 3.5Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.36Å; R190-L194 PolarHBondContact O-N 3.31Å; R190-D213 IonicContact NH1-OD1 3.51Å
191R98.5Very high98Very high62 Ų6247.3 Ų47.323%0.23422%0.218CC..Hα-helixtrans-60.5-40.2-179.9-166.9-176.8-68.497.11112.1S187 E188 E189 R195 E201 C207S187-R191 VanDerWaalsContact O-CB 3.22Å; S187-R191 WeakPolarHBondContact O-CB 3.23Å; S187-R191 PolarHBondContact O-N 3.45Å; S187-R191 PolarHBondContact O-NH1 2.9Å; E188-R191 PolarHBondContact O-N 3.04Å; E189-R191 PolarHBondContact O-N 3.14Å; R191-R195 WeakPolarHBondContact O-CB 3.35Å; R191-R195 PolarHBondContact O-N 3.23Å; R191-E201 WeakPolarHBondContact CD-OE2 3.5Å; R191-E201 WeakPolarHBondContact CG-OE2 3.5Å; R191-C207 PolarHBondContact NH2-O 3.25Å
192K98.4Very high98Very high119 Ų11947.3 Ų47.352%0.51722%0.22SC..Hα-helixtrans-59.4-52.7173.7177.5173.2170.851.40111.1E188 E189 R190 L194 R195 D196E188-K192 PolarHBondContact O-N 2.99Å; E189-K192 PolarHBondContact O-N 3.01Å; R190-K192 VanDerWaalsContact C-N 3.3Å; R190-K192 PolarHBondContact O-N 3.46Å; K192-L194 PolarHBondContact O-N 2.99Å; K192-R195 PolarHBondContact O-N 3.18Å; K192-D196 WeakPolarHBondContact CG-OD2 3.46Å; K192-D196 IonicContact NZ-OD2 3.96Å; K192-D196 PolarHBondContact NZ-OD2 3.1Å; K192-D196 VanDerWaalsContact O-CB 3.26Å; K192-D196 WeakPolarHBondContact O-CB 3.4Å; K192-D196 PolarHBondContact O-N 2.83Å
193Q98.3Very high98.1Very high65 Ų6550.3 Ų50.330%0.30424%0.236SC..Hα-helixtrans-65.6-40-178.1-171.8171.7-13.700112.5L181 M185 E189 R190 R195 D196 Q197L181-Q193 HydrophobicContact CD2-CB 4.11Å; L181-Q193 VanDerWaalsContact CD2-CD 3.47Å; L181-Q193 HydrophobicContact CD2-CG 3.78Å; M185-Q193 HydrophobicContact CE-CB 4.29Å; M185-Q193 VanDerWaalsContact CE-OE1 3.28Å; E189-Q193 PolarHBondContact O-N 3.3Å; R190-Q193 PolarHBondContact O-N 3.45Å; Q193-R195 PolarHBondContact O-N 3.49Å; Q193-D196 PolarHBondContact O-N 3.28Å; Q193-Q197 WeakPolarHBondContact O-CB 3.34Å; Q193-Q197 PolarHBondContact O-N 3.2Å
194L98.5Very high98.1Very high0 Ų051.2 Ų51.20%024%0.242CC..Iπ-helixtrans-63.4-40.6177.1-65.8176.9000112.4L181 R190 K192 Y198 C199 F200 C202L181-L194 HydrophobicContact CD1-CD1 4.1Å; L181-L194 HydrophobicContact CD1-CD2 3.85Å; L181-L194 HydrophobicContact CD1-CG 3.82Å; L181-L194 HydrophobicContact CD2-CD2 3.95Å; L181-L194 HydrophobicContact CG-CD2 4.04Å; R190-L194 WeakPolarHBondContact O-CB 3.5Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.36Å; R190-L194 PolarHBondContact O-N 3.31Å; K192-L194 PolarHBondContact O-N 2.99Å; L194-Y198 HydrophobicContact CD2-CD2 3.85Å; L194-Y198 HydrophobicContact CD2-CE2 4.37Å; L194-Y198 CarbonylContact O-C 3.58Å; L194-Y198 VanDerWaalsContact O-C 3.26Å; L194-Y198 VanDerWaalsContact O-CA 3.27Å; L194-Y198 WeakPolarHBondContact O-CA 3.34Å; L194-Y198 WeakPolarHBondContact O-CB 3.37Å; L194-Y198 PolarHBondContact O-N 3.06Å; L194-C199 PolarHBondContact O-N 3.3Å; L194-F200 CarbonylContact C-O 3.49Å; L194-F200 HydrophobicContact CB-CE1 4.18Å; L194-F200 HydrophobicContact CB-CZ 4.11Å; L194-F200 HydrophobicContact CD1-CE2 4.03Å; L194-F200 HydrophobicContact CD1-CZ 3.8Å; L194-F200 HydrophobicContact CD2-CE1 3.76Å; L194-F200 HydrophobicContact CD2-CZ 3.55Å; L194-F200 HydrophobicContact CG-CE1 4.38Å; L194-F200 HydrophobicContact CG-CZ 4Å; L194-C202 HydrophobicContact CD1-CB 3.62Å
195R97.9Very high98.1Very high99 Ų9957.1 Ų57.137%0.37427%0.273SS..Iπ-helixtrans-65.6-48.4170.9-83.4-168.1-75.1-104.96.9112.7K81 R191 K192 Q193 C199 E201K81-R195 PolarHBondContact NZ-O 3.3Å; R191-R195 WeakPolarHBondContact O-CB 3.35Å; R191-R195 PolarHBondContact O-N 3.23Å; K192-R195 PolarHBondContact O-N 3.18Å; Q193-R195 PolarHBondContact O-N 3.49Å; R195-C199 WeakPolarHBondContact O-CA 3.5Å; R195-C199 PolarHBondContact O-N 3.47Å; R195-E201 WeakPolarHBondContact CD-OE1 3.4Å; R195-E201 WeakPolarHBondContact CG-OE1 3.27Å; R195-E201 IonicContact CZ-OE1 2.65Å; R195-E201 IonicContact NE-OE1 3.98Å; R195-E201 IonicContact NH1-OE1 3.85Å; R195-E201 PolarHBondContact NH1-OE1 3.48Å; R195-E201 IonicContact NH1-OE2 3.24Å; R195-E201 PolarHBondContact NH1-OE2 3.42Å
196D95.8Very high98Very high75 Ų7557 Ų5740%0.40127%0.271SS..Iπ-helixtrans-69.9-39-170.5-72.9-11.2000111.3K81 K192 Q193K81-D196 WeakPolarHBondContact CE-O 3.41Å; K81-D196 VanDerWaalsContact NZ-C 3.28Å; K81-D196 PolarHBondContact NZ-O 3.18Å; K192-D196 WeakPolarHBondContact CG-OD2 3.46Å; K192-D196 IonicContact NZ-OD2 3.96Å; K192-D196 PolarHBondContact NZ-OD2 3.1Å; K192-D196 VanDerWaalsContact O-CB 3.26Å; K192-D196 WeakPolarHBondContact O-CB 3.4Å; K192-D196 PolarHBondContact O-N 2.83Å; Q193-D196 PolarHBondContact O-N 3.28Å
197Q96.2Very high98Very high54 Ų5456.9 Ų56.925%0.25227%0.27SS..Iπ-helixtrans-100.3-39.4-176.8-172.2175.10.200113.5I120 Q193I120-Q197 HydrophobicContact CG2-CG 4.39Å; I120-Q197 PolarHBondContact O-NE2 3.22Å; Q193-Q197 WeakPolarHBondContact O-CB 3.34Å; Q193-Q197 PolarHBondContact O-N 3.2Å
198Y98.1Very high98Very high27 Ų2763.4 Ų63.411%0.10630%0.301CS..Iπ-helixtrans-113.1-3.6-169.2-57.5-84.1000114.3N73 C121 Y180 L181 L194 F200N73-Y198 PolarHBondContact ND2-O 2.99Å; C121-Y198 HydrophobicContact CB-CD1 4.02Å; C121-Y198 WeakPolarHBondContact O-CE1 3.4Å; Y180-Y198 AromaticContact CD2-CD1 3.73Å; Y180-Y198 HydrophobicContact CD2-CD1 3.73Å; Y180-Y198 HydrophobicContact CD2-CD2 4.18Å; Y180-Y198 AromaticContact CD2-CE1 3.51Å; Y180-Y198 HydrophobicContact CD2-CE1 3.51Å; Y180-Y198 AromaticContact CD2-CE2 3.98Å; Y180-Y198 HydrophobicContact CD2-CE2 3.98Å; Y180-Y198 HydrophobicContact CD2-CG 4.06Å; Y180-Y198 AromaticContact CD2-CZ 3.64Å; Y180-Y198 AromaticContact CE2-CD1 3.84Å; Y180-Y198 HydrophobicContact CE2-CD1 3.84Å; Y180-Y198 AromaticContact CE2-CE1 3.88Å; Y180-Y198 HydrophobicContact CE2-CE1 3.88Å; Y180-Y198 HydrophobicContact CE2-CG 4.39Å; Y180-Y198 HydrophobicContact CG-CE1 4.32Å; L181-Y198 HydrophobicContact CD2-CE2 4.48Å; L194-Y198 HydrophobicContact CD2-CD2 3.85Å; L194-Y198 HydrophobicContact CD2-CE2 4.37Å; L194-Y198 CarbonylContact O-C 3.58Å; L194-Y198 VanDerWaalsContact O-C 3.26Å; L194-Y198 VanDerWaalsContact O-CA 3.27Å; L194-Y198 WeakPolarHBondContact O-CA 3.34Å; L194-Y198 WeakPolarHBondContact O-CB 3.37Å; L194-Y198 PolarHBondContact O-N 3.06Å; Y198-F200 VanDerWaalsContact C-N 3.32Å; Y198-F200 VanDerWaalsContact CB-CE1 3.46Å; Y198-F200 HydrophobicContact CG-CE1 4.2Å; Y198-F200 PolarHBondContact O-N 3.37Å
199C97.9Very high98Very high17 Ų1760.8 Ų60.812%0.11530%0.295CS..  trans54.740.7174.8-55.90000114.5N73 K76 L194 R195N73-C199 HydrophobicContact CB-CB 3.83Å; K76-C199 HydrophobicContact CB-CB 3.82Å; K76-C199 HydrophobicContact CD-CB 3.9Å; K76-C199 WeakPolarHBondContact CD-O 3.46Å; K76-C199 PolarHBondContact NZ-O 3.12Å; L194-C199 PolarHBondContact O-N 3.3Å; R195-C199 WeakPolarHBondContact O-CA 3.5Å; R195-C199 PolarHBondContact O-N 3.47Å
200F98.3Very high97.9Very high60 Ų6064.6 Ų64.626%0.26331%0.312SS..  trans-141.4162.617278.3-86.5000112.2H147 L194 Y198 C202H147-F200 HydrophobicContact CB-CE1 4.34Å; H147-F200 HydrophobicContact CB-CE2 4.39Å; H147-F200 HydrophobicContact CB-CZ 3.6Å; H147-F200 AromaticContact CD2-CZ 3.89Å; H147-F200 AromaticContact CG-CZ 3.87Å; L194-F200 CarbonylContact C-O 3.49Å; L194-F200 HydrophobicContact CB-CE1 4.18Å; L194-F200 HydrophobicContact CB-CZ 4.11Å; L194-F200 HydrophobicContact CD1-CE2 4.03Å; L194-F200 HydrophobicContact CD1-CZ 3.8Å; L194-F200 HydrophobicContact CD2-CE1 3.76Å; L194-F200 HydrophobicContact CD2-CZ 3.55Å; L194-F200 HydrophobicContact CG-CE1 4.38Å; L194-F200 HydrophobicContact CG-CZ 4Å; Y198-F200 VanDerWaalsContact C-N 3.32Å; Y198-F200 VanDerWaalsContact CB-CE1 3.46Å; Y198-F200 HydrophobicContact CG-CE1 4.2Å; Y198-F200 PolarHBondContact O-N 3.37Å; F200-C202 HydrophobicContact CE2-CB 3.99Å
201E98.2Very high97.9Very high101 Ų10166.6 Ų66.647%0.47232%0.324SS..  trans-104127.5172.6-67.3-67.3167.300108.8R191 R195R191-E201 WeakPolarHBondContact CD-OE2 3.5Å; R191-E201 WeakPolarHBondContact CG-OE2 3.5Å; R195-E201 WeakPolarHBondContact CD-OE1 3.4Å; R195-E201 WeakPolarHBondContact CG-OE1 3.27Å; R195-E201 IonicContact CZ-OE1 2.65Å; R195-E201 IonicContact NE-OE1 3.98Å; R195-E201 IonicContact NH1-OE1 3.85Å; R195-E201 PolarHBondContact NH1-OE1 3.48Å; R195-E201 IonicContact NH1-OE2 3.24Å; R195-E201 PolarHBondContact NH1-OE2 3.42Å
202C98.5Very high97.9Very high17 Ų1766.1 Ų66.112%0.11532%0.323CS..  trans-84.1124178.3-1750000110.5L194 F200 C204L194-C202 HydrophobicContact CD1-CB 3.62Å; F200-C202 HydrophobicContact CE2-CB 3.99Å; C202-C204 PolarHBondContact SG-SG 2.79Å
203D97.2Very high97.9Very high127 Ų12761.2 Ų61.268%0.67930%0.302SS*.  trans-103.710.2179.566.1-15.6000113Q208D203-Q208 PolarHBondContact O-NE2 3.33Å
204C98Very high97.9Very high25 Ų2562 Ų6217%0.16932%0.32CS..SBendtrans-62.6157.7178.579.70000112C202 R206 C207 Q208C202-C204 PolarHBondContact SG-SG 2.79Å; C204-R206 VanDerWaalsContact C-N 3.26Å; C204-R206 PolarHBondContact O-N 3.06Å; C204-C207 PolarHBondContact O-N 3.39Å; C204-Q208 PolarHBondContact O-N 3.13Å
205I97.8Very high97.9Very high130 Ų13065.8 Ų65.867%0.66734%0.34SS*.Hα-helixtrans-52.4-44.4-178-63.6170.8000111.3C207 Q208 T209I205-C207 VanDerWaalsContact C-N 3.26Å; I205-C207 PolarHBondContact O-N 3.23Å; I205-Q208 PolarHBondContact O-N 3.16Å; I205-Q208 VanDerWaalsContact O-N 3.12Å; I205-T209 HydrophobicContact CG2-CG2 4.09Å; I205-T209 WeakPolarHBondContact O-CG2 3.39Å; I205-T209 PolarHBondContact O-N 3.12Å; I205-T209 PolarHBondContact O-OG1 2.94Å
206R97.9Very high97.9Very high18 Ų1861.1 Ų61.17%0.06832%0.323CS..Hα-helixtrans-59.4-35.1179.9-65.9-168.465.6-144.8-7.4113.4C149 D150 C204 Q210 D211C149-R206 HydrophobicContact CB-CB 4.17Å; C149-R206 WeakPolarHBondContact O-CD 3.48Å; C149-R206 PolarHBondContact O-NH1 2.95Å; D150-R206 HydrophobicContact CB-CG 4.46Å; C204-R206 VanDerWaalsContact C-N 3.26Å; C204-R206 PolarHBondContact O-N 3.06Å; R206-Q210 WeakPolarHBondContact O-CA 3.32Å; R206-Q210 PolarHBondContact O-N 3.49Å; R206-D211 HydrophobicContact CB-CB 3.95Å; R206-D211 HydrophobicContact CG-CB 4Å; R206-D211 IonicContact CZ-OD2 3.72Å; R206-D211 IonicContact NE-OD2 2.9Å; R206-D211 PolarHBondContact NE-OD2 3.21Å; R206-D211 IonicContact NH2-OD2 3.68Å; R206-D211 PolarHBondContact O-N 3.34Å
207C98.1Very high98.1Very high6 Ų660.2 Ų60.24%0.04132%0.317CS..Hα-helixtrans-80.1-32.7177.6-740000112.4R191 C204 I205R191-C207 PolarHBondContact NH2-O 3.25Å; C204-C207 PolarHBondContact O-N 3.39Å; I205-C207 VanDerWaalsContact C-N 3.26Å; I205-C207 PolarHBondContact O-N 3.23Å
208Q97.9Very high98.1Very high138 Ų13859.9 Ų59.965%0.64532%0.319SS*.Hα-helixtrans-70.2-39.4175.9-65.7-174.211.500112.2D203 C204 I205D203-Q208 PolarHBondContact O-NE2 3.33Å; C204-Q208 PolarHBondContact O-N 3.13Å; I205-Q208 PolarHBondContact O-N 3.16Å; I205-Q208 VanDerWaalsContact O-N 3.12Å
209T98.3Very high98Very high90 Ų9060.8 Ų60.855%0.55234%0.337SS*.THydrogen-bonded Turntrans-97.10.5-175.867.60000113.9I205 D211I205-T209 HydrophobicContact CG2-CG2 4.09Å; I205-T209 WeakPolarHBondContact O-CG2 3.39Å; I205-T209 PolarHBondContact O-N 3.12Å; I205-T209 PolarHBondContact O-OG1 2.94Å; T209-D211 PolarHBondContact O-N 2.76Å
210Q98.3Very high97.9Very high123 Ų12363 Ų6358%0.57535%0.348SS*.THydrogen-bonded Turntrans53.242.1-173.6-56.9176.31.500111.8R206 K212 D213R206-Q210 WeakPolarHBondContact O-CA 3.32Å; R206-Q210 PolarHBondContact O-N 3.49Å; Q210-K212 PolarHBondContact O-N 2.87Å; Q210-K212 VanDerWaalsContact O-N 3.14Å; Q210-D213 HydrophobicContact CB-CB 4.17Å; Q210-D213 WeakPolarHBondContact O-CB 3.27Å; Q210-D213 PolarHBondContact O-N 2.78Å
211D98.3Very high97.8Very high46 Ų4665.3 Ų65.325%0.24636%0.359CS..THydrogen-bonded Turntrans-55119.4-173.8168.967000111.5R206 T209 D213R206-D211 HydrophobicContact CB-CB 3.95Å; R206-D211 HydrophobicContact CG-CB 4Å; R206-D211 IonicContact CZ-OD2 3.72Å; R206-D211 IonicContact NE-OD2 2.9Å; R206-D211 PolarHBondContact NE-OD2 3.21Å; R206-D211 IonicContact NH2-OD2 3.68Å; R206-D211 PolarHBondContact O-N 3.34Å; T209-D211 PolarHBondContact O-N 2.76Å; D211-D213 VanDerWaalsContact C-N 3.29Å; D211-D213 PolarHBondContact O-N 3.34Å
212K98.3Very high97.7Very high51 Ų5166.9 Ų66.922%0.22237%0.366CS..THydrogen-bonded Turntrans73-1.7-179.4-53.9174.3-175.559.70116.4Q210 A214 D215 M216 I301 F302Q210-K212 PolarHBondContact O-N 2.87Å; Q210-K212 VanDerWaalsContact O-N 3.14Å; K212-A214 VanDerWaalsContact C-N 3.3Å; K212-A214 PolarHBondContact O-N 3.49Å; K212-D215 PolarHBondContact O-N 3.32Å; K212-D215 VanDerWaalsContact O-N 3.14Å; K212-M216 HydrophobicContact CB-CE 4.26Å; K212-M216 HydrophobicContact CB-CG 4.5Å; K212-M216 VanDerWaalsContact O-CG 3.25Å; K212-M216 WeakPolarHBondContact O-CG 3.48Å; K212-M216 PolarHBondContact O-N 3.37Å; K212-I301 WeakPolarHBondContact CE-O 3.38Å; K212-F302 HydrophobicContact CB-CD1 4.41Å; K212-F302 HydrophobicContact CB-CE1 4.17Å; K212-F302 HydrophobicContact CD-CD1 3.97Å; K212-F302 HydrophobicContact CD-CE1 4.41Å
213D98.6Very high97.6Very high16 Ų1667.4 Ų67.49%0.08637%0.369CS..Hα-helixtrans-57.9-42.1-176.4-73.94.7000112.2T186 S187 R190 Q210 D211 D215 M216 L217T186-D213 WeakPolarHBondContact CA-OD1 3.38Å; S187-D213 WeakPolarHBondContact CB-OD2 3.37Å; S187-D213 VanDerWaalsContact N-CG 3.31Å; S187-D213 PolarHBondContact N-OD1 3.25Å; S187-D213 PolarHBondContact N-OD2 3.14Å; S187-D213 PolarHBondContact OG-OD2 3.44Å; R190-D213 IonicContact NH1-OD1 3.51Å; Q210-D213 HydrophobicContact CB-CB 4.17Å; Q210-D213 WeakPolarHBondContact O-CB 3.27Å; Q210-D213 PolarHBondContact O-N 2.78Å; D211-D213 VanDerWaalsContact C-N 3.29Å; D211-D213 PolarHBondContact O-N 3.34Å; D213-D215 PolarHBondContact O-N 2.91Å; D213-M216 PolarHBondContact O-N 3.44Å; D213-L217 PolarHBondContact O-N 3.28Å
214A98.3Very high97.6Very high81 Ų8162.6 Ų62.667%0.66934%0.342SS*.Hα-helixtrans-63.3-41.2178.500000112.8K212 L217 T218K212-A214 VanDerWaalsContact C-N 3.3Å; K212-A214 PolarHBondContact O-N 3.49Å; A214-L217 PolarHBondContact O-N 3.23Å; A214-T218 WeakPolarHBondContact O-CG2 3.35Å; A214-T218 PolarHBondContact O-N 2.96Å
215D98.2Very high97.5Very high81 Ų8166.1 Ų66.143%0.43335%0.354SS..Hα-helixtrans-67.8-40.6178.4-64.5-26.1000111.1K212 D213 L217 T218 I264K212-D215 PolarHBondContact O-N 3.32Å; K212-D215 VanDerWaalsContact O-N 3.14Å; D213-D215 PolarHBondContact O-N 2.91Å; D215-L217 PolarHBondContact O-N 3.45Å; D215-T218 WeakPolarHBondContact O-CG2 3.32Å; D215-T218 PolarHBondContact O-N 3.27Å; D215-T218 PolarHBondContact O-OG1 2.96Å; D215-I264 HydrophobicContact CB-CD1 4.4Å
216M98.5Very high97.5Very high0 Ų065.3 Ų65.30%035%0.348CS..Hα-helixtrans-62.1-28.3179.1-71.8-177.817000113.3M183 T186 K212 D213 N265 I266 F302M183-M216 WeakPolarHBondContact O-CE 3.48Å; T186-M216 HydrophobicContact CG2-CB 4.43Å; T186-M216 HydrophobicContact CG2-SD 4.42Å; K212-M216 HydrophobicContact CB-CE 4.26Å; K212-M216 HydrophobicContact CB-CG 4.5Å; K212-M216 VanDerWaalsContact O-CG 3.25Å; K212-M216 WeakPolarHBondContact O-CG 3.48Å; K212-M216 PolarHBondContact O-N 3.37Å; D213-M216 PolarHBondContact O-N 3.44Å; M216-N265 CarbonylContact O-C 3.6Å; M216-N265 VanDerWaalsContact O-CA 3.29Å; M216-N265 WeakPolarHBondContact O-CA 3.32Å; M216-I266 HydrophobicContact CB-CB 4.46Å; M216-I266 HydrophobicContact CB-CD1 4.21Å; M216-I266 HydrophobicContact CB-CG1 4.16Å; M216-I266 HydrophobicContact CB-CG2 3.58Å; M216-I266 HydrophobicContact CE-CG2 4.38Å; M216-I266 HydrophobicContact CG-CG2 3.41Å; M216-I266 VanDerWaalsContact CG-CG2 3.41Å; M216-I266 PolarHBondContact O-N 3Å; M216-I266 HydrophobicContact SD-CD1 4.38Å; M216-I266 HydrophobicContact SD-CG2 3.96Å; M216-F302 HydrophobicContact CB-CZ 4.46Å; M216-F302 HydrophobicContact CE-CD1 3.47Å; M216-F302 VanDerWaalsContact CE-CD1 3.47Å; M216-F302 HydrophobicContact CE-CE1 3.79Å; M216-F302 HydrophobicContact CE-CG 4.17Å; M216-F302 HydrophobicContact CG-CD1 4.07Å; M216-F302 HydrophobicContact CG-CE1 3.37Å; M216-F302 HydrophobicContact CG-CZ 3.66Å; M216-F302 HydrophobicContact SD-CE1 4.46Å
217L98.4Very high97.4Very high56 Ų5664.9 Ų64.929%0.29335%0.347SS..THydrogen-bonded Turntrans-107.817.6-176.1-61-179.2000113.5T186 D213 A214 D215 W224 Y267T186-L217 HydrophobicContact CG2-CD1 4.02Å; T186-L217 HydrophobicContact CG2-CD2 3.95Å; T186-L217 HydrophobicContact CG2-CG 3.92Å; D213-L217 PolarHBondContact O-N 3.28Å; A214-L217 PolarHBondContact O-N 3.23Å; D215-L217 PolarHBondContact O-N 3.45Å; L217-W224 HydrophobicContact CD2-CH2 4.35Å; L217-W224 HydrophobicContact CD2-CZ2 4.25Å; L217-W224 HydrophobicContact CD2-CZ3 4.47Å; L217-W224 PolarHBondContact O-NE1 2.95Å; L217-Y267 HydrophobicContact CD2-CE2 3.6Å
218T97.6Very high97.4Very high47 Ų4767.8 Ų67.829%0.28836%0.36SS..  trans-62.6152.4175.150.50000112.5A214 D215 P262 I264 N265A214-T218 WeakPolarHBondContact O-CG2 3.35Å; A214-T218 PolarHBondContact O-N 2.96Å; D215-T218 WeakPolarHBondContact O-CG2 3.32Å; D215-T218 PolarHBondContact O-N 3.27Å; D215-T218 PolarHBondContact O-OG1 2.96Å; T218-P262 WeakPolarHBondContact OG1-CG 3.27Å; T218-I264 VanDerWaalsContact OG1-CG2 3.32Å; T218-I264 WeakPolarHBondContact OG1-CG2 3.48Å; T218-N265 WeakPolarHBondContact O-CB 3.49Å; T218-N265 PolarHBondContact O-ND2 2.87Å
219G95.9Very high97.4Very high46 Ų4666.6 Ų66.647%0.47435%0.354SS..SBendtrans98.6179.6-174.700000112.5E221G219-E221 PolarHBondContact O-N 3.43Å
220D96.2Very high97.3Very high65 Ų6564.4 Ų64.435%0.34834%0.342SS..  trans-65.9127.6-179.7-176.1-72.8000111.5Q222 V223 W224D220-Q222 PolarHBondContact O-N 3.35Å; D220-Q222 WeakPolarHBondContact OD1-CA 3.26Å; D220-Q222 VanDerWaalsContact OD1-CB 3.27Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.36Å; D220-Q222 PolarHBondContact OD1-N 3.39Å; D220-V223 HydrophobicContact CB-CB 4.16Å; D220-V223 HydrophobicContact CB-CG2 3.84Å; D220-V223 PolarHBondContact O-N 3.36Å; D220-V223 PolarHBondContact OD1-N 2.95Å; D220-W224 PolarHBondContact O-N 3.18Å
221E96.1Very high97.3Very high108 Ų10858.8 Ų58.851%0.50532%0.316SS..Hα-helixtrans-63.7-39.3-176.4177.5175.8-17100113.6G219 V223 W224 K225G219-E221 PolarHBondContact O-N 3.43Å; E221-V223 VanDerWaalsContact C-N 3.33Å; E221-W224 VanDerWaalsContact CA-NE1 3.35Å; E221-W224 HydrophobicContact CB-CZ2 4.33Å; E221-W224 HydrophobicContact CG-CH2 4.37Å; E221-W224 HydrophobicContact CG-CZ2 3.65Å; E221-K225 HydrophobicContact CG-CD 4.16Å; E221-K225 WeakPolarHBondContact O-CB 3.27Å; E221-K225 WeakPolarHBondContact O-CG 3.32Å; E221-K225 PolarHBondContact O-N 3.44Å; E221-K225 VanDerWaalsContact O-N 3.1Å; E221-K225 WeakPolarHBondContact OE1-CE 3.39Å; E221-K225 IonicContact OE1-NZ 2.61Å; E221-K225 PolarHBondContact OE1-NZ 3.31Å
222Q95.6Very high97.3Very high133 Ų13362.4 Ų62.462%0.62133%0.33SS*.Hα-helixtrans-65.3-44.3178.7-174.6177.7-1400109.8D220 K225 E226D220-Q222 PolarHBondContact O-N 3.35Å; D220-Q222 WeakPolarHBondContact OD1-CA 3.26Å; D220-Q222 VanDerWaalsContact OD1-CB 3.27Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.36Å; D220-Q222 PolarHBondContact OD1-N 3.39Å; Q222-K225 PolarHBondContact O-N 2.97Å; Q222-E226 PolarHBondContact NE2-OE1 2.88Å; Q222-E226 WeakPolarHBondContact O-CG 3.08Å; Q222-E226 PolarHBondContact O-N 2.88Å; Q222-E226 VanDerWaalsContact O-N 3.16Å
223V96.1Very high97.3Very high29 Ų2964.3 Ų64.318%0.17634%0.338CS..Hα-helixtrans-62.5-49.1179.4-177.70000111.1D220 E221 K225 E226 V227 L261D220-V223 HydrophobicContact CB-CB 4.16Å; D220-V223 HydrophobicContact CB-CG2 3.84Å; D220-V223 PolarHBondContact O-N 3.36Å; D220-V223 PolarHBondContact OD1-N 2.95Å; E221-V223 VanDerWaalsContact C-N 3.33Å; V223-K225 VanDerWaalsContact C-N 3.33Å; V223-K225 PolarHBondContact O-N 3.29Å; V223-E226 PolarHBondContact O-N 3.3Å; V223-V227 WeakPolarHBondContact O-CG2 3.44Å; V223-V227 PolarHBondContact O-N 2.73Å; V223-L261 HydrophobicContact CB-CD2 4.14Å; V223-L261 HydrophobicContact CB-CG 4.41Å; V223-L261 HydrophobicContact CG1-CD1 4.09Å; V223-L261 HydrophobicContact CG1-CD2 4.08Å; V223-L261 HydrophobicContact CG1-CG 3.79Å
224W96.8Very high97.3Very high25 Ų2563.6 Ų63.610%0.09533%0.334CS..Hα-helixtrans-70.5-27.2-177.370.9-117.5000113.8L217 D220 E221 V227 Q228 L261 Y267L217-W224 HydrophobicContact CD2-CH2 4.35Å; L217-W224 HydrophobicContact CD2-CZ2 4.25Å; L217-W224 HydrophobicContact CD2-CZ3 4.47Å; L217-W224 PolarHBondContact O-NE1 2.95Å; D220-W224 PolarHBondContact O-N 3.18Å; E221-W224 VanDerWaalsContact CA-NE1 3.35Å; E221-W224 HydrophobicContact CB-CZ2 4.33Å; E221-W224 HydrophobicContact CG-CH2 4.37Å; E221-W224 HydrophobicContact CG-CZ2 3.65Å; W224-V227 PolarHBondContact O-N 3.35Å; W224-Q228 WeakPolarHBondContact O-CB 3.45Å; W224-Q228 PolarHBondContact O-N 2.86Å; W224-L261 HydrophobicContact CB-CD1 3.58Å; W224-L261 HydrophobicContact CB-CD2 3.84Å; W224-L261 HydrophobicContact CB-CG 4.36Å; W224-Y267 HydrophobicContact CB-CD2 3.99Å; W224-Y267 HydrophobicContact CD2-CD2 4.18Å; W224-Y267 AromaticContact CD2-CE2 3.92Å; W224-Y267 HydrophobicContact CD2-CE2 3.92Å; W224-Y267 AromaticContact CE3-CD2 3.76Å; W224-Y267 HydrophobicContact CE3-CD2 3.76Å; W224-Y267 AromaticContact CE3-CE2 3.26Å; W224-Y267 HydrophobicContact CE3-CE2 3.26Å; W224-Y267 HydrophobicContact CG-CD2 4.3Å; W224-Y267 HydrophobicContact CG-CE2 4.49Å; W224-Y267 AromaticContact CZ3-CE2 3.75Å; W224-Y267 HydrophobicContact CZ3-CE2 3.75Å
225K97Very high97.2Very high99 Ų9963.8 Ų63.843%0.4332%0.321SS..Hα-helixtrans-66.2-40.3171.2-77.6-178.3-178.2172.30112.3E221 Q222 V223 V227 Q228 E229E221-K225 HydrophobicContact CG-CD 4.16Å; E221-K225 WeakPolarHBondContact O-CB 3.27Å; E221-K225 WeakPolarHBondContact O-CG 3.32Å; E221-K225 PolarHBondContact O-N 3.44Å; E221-K225 VanDerWaalsContact O-N 3.1Å; E221-K225 WeakPolarHBondContact OE1-CE 3.39Å; E221-K225 IonicContact OE1-NZ 2.61Å; E221-K225 PolarHBondContact OE1-NZ 3.31Å; Q222-K225 PolarHBondContact O-N 2.97Å; V223-K225 VanDerWaalsContact C-N 3.33Å; V223-K225 PolarHBondContact O-N 3.29Å; K225-V227 VanDerWaalsContact C-N 3.34Å; K225-Q228 PolarHBondContact O-N 2.93Å; K225-E229 PolarHBondContact O-N 3.34Å
226E96.4Very high97.2Very high114 Ų11464.3 Ų64.353%0.53332%0.321SS..Hα-helixtrans-65.2-39.1174.9-70.4174.4-16800111.6Q222 V223 E229 S230Q222-E226 PolarHBondContact NE2-OE1 2.88Å; Q222-E226 WeakPolarHBondContact O-CG 3.08Å; Q222-E226 PolarHBondContact O-N 2.88Å; Q222-E226 VanDerWaalsContact O-N 3.16Å; V223-E226 PolarHBondContact O-N 3.3Å; E226-E229 PolarHBondContact O-N 3.32Å; E226-S230 WeakPolarHBondContact O-CB 3.41Å; E226-S230 PolarHBondContact O-N 3.18Å; E226-S230 PolarHBondContact O-OG 3.46Å
227V97.4Very high97.2Very high8 Ų864.7 Ų64.75%0.04832%0.323CS..Hα-helixtrans-65.9-42.9174175.90000111.3V223 W224 K225 E229 S230 L231 I253 L261 V271V223-V227 WeakPolarHBondContact O-CG2 3.44Å; V223-V227 PolarHBondContact O-N 2.73Å; W224-V227 PolarHBondContact O-N 3.35Å; K225-V227 VanDerWaalsContact C-N 3.34Å; V227-E229 VanDerWaalsContact C-N 3.31Å; V227-E229 PolarHBondContact O-N 3.42Å; V227-S230 PolarHBondContact O-N 3.4Å; V227-L231 HydrophobicContact CG1-CD1 4.42Å; V227-L231 PolarHBondContact O-N 3.11Å; V227-I253 HydrophobicContact CG1-CD1 4.38Å; V227-I253 HydrophobicContact CG1-CG2 4.31Å; V227-I253 HydrophobicContact CG2-CG2 3.71Å; V227-L261 HydrophobicContact CB-CD1 4.3Å; V227-L261 HydrophobicContact CG2-CD1 3.92Å; V227-V271 HydrophobicContact CG1-CG2 3.73Å
228Q97.6Very high97.1Very high67 Ų6763.3 Ų63.331%0.31332%0.315SS..Hα-helixtrans-58.3-42.2175.5-176.7-175.633.300111.7E189 W224 K225 L231 Y267E189-Q228 PolarHBondContact OE1-NE2 3.05Å; W224-Q228 WeakPolarHBondContact O-CB 3.45Å; W224-Q228 PolarHBondContact O-N 2.86Å; K225-Q228 PolarHBondContact O-N 2.93Å; Q228-L231 PolarHBondContact O-N 2.94Å; Q228-Y267 HydrophobicContact CB-CD1 3.8Å; Q228-Y267 HydrophobicContact CB-CD2 4.49Å; Q228-Y267 HydrophobicContact CB-CE1 3.85Å; Q228-Y267 HydrophobicContact CB-CG 4.12Å; Q228-Y267 HydrophobicContact CG-CD1 3.85Å; Q228-Y267 HydrophobicContact CG-CE1 3.48Å; Q228-Y267 VanDerWaalsContact CG-CE1 3.48Å; Q228-Y267 PolarHBondContact NE2-OH 3.49Å
229E97.4Very high97Very high113 Ų11363.7 Ų63.753%0.52832%0.323SS..Hα-helixtrans-66.8-42.3175.8-169.860.1-145.600111.6K225 E226 V227 L231 K232K225-E229 PolarHBondContact O-N 3.34Å; E226-E229 PolarHBondContact O-N 3.32Å; V227-E229 VanDerWaalsContact C-N 3.31Å; V227-E229 PolarHBondContact O-N 3.42Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.02Å; E229-K232 VanDerWaalsContact CD-NZ 3.33Å; E229-K232 WeakPolarHBondContact O-CB 3.39Å; E229-K232 PolarHBondContact O-N 2.75Å; E229-K232 IonicContact OE1-NZ 3.24Å; E229-K232 PolarHBondContact OE1-NZ 3.06Å; E229-K232 WeakPolarHBondContact OE2-CE 3.4Å; E229-K232 IonicContact OE2-NZ 2.65Å; E229-K232 PolarHBondContact OE2-NZ 3.29Å
230S97.4Very high97Very high44 Ų4467.1 Ų67.131%0.30833%0.326SS..Hα-helixtrans-63-35.5177.5-60.90000112.3E226 V227 K232 K233 I234E226-S230 WeakPolarHBondContact O-CB 3.41Å; E226-S230 PolarHBondContact O-N 3.18Å; E226-S230 PolarHBondContact O-OG 3.46Å; V227-S230 PolarHBondContact O-N 3.4Å; S230-K232 VanDerWaalsContact C-N 3.27Å; S230-K232 PolarHBondContact O-N 2.82Å; S230-K233 PolarHBondContact O-N 3.22Å; S230-K233 VanDerWaalsContact O-N 3.07Å; S230-I234 WeakPolarHBondContact O-CG1 3.46Å; S230-I234 PolarHBondContact O-N 3.22Å; S230-I234 VanDerWaalsContact O-N 3.11Å
231L97.9Very high97.1Very high5 Ų570.1 Ų70.13%0.02633%0.333CS..Hα-helixtrans-58.8-35.9178.3-90.2170.2000112.6V227 Q228 E229 K233 I234 E235 Y267 K270 V271V227-L231 HydrophobicContact CG1-CD1 4.42Å; V227-L231 PolarHBondContact O-N 3.11Å; Q228-L231 PolarHBondContact O-N 2.94Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.02Å; L231-K233 PolarHBondContact O-N 3.01Å; L231-I234 HydrophobicContact CD2-CB 4.5Å; L231-I234 HydrophobicContact CD2-CD1 4.46Å; L231-I234 PolarHBondContact O-N 3.36Å; L231-E235 WeakPolarHBondContact O-CB 3.41Å; L231-E235 WeakPolarHBondContact O-CG 3.39Å; L231-E235 PolarHBondContact O-N 3.23Å; L231-Y267 HydrophobicContact CD1-CD1 4.01Å; L231-Y267 HydrophobicContact CD1-CG 4.4Å; L231-K270 HydrophobicContact CD1-CB 3.9Å; L231-K270 HydrophobicContact CD1-CD 4.03Å; L231-K270 HydrophobicContact CD2-CB 3.86Å; L231-V271 HydrophobicContact CD1-CG2 4.45Å; L231-V271 HydrophobicContact CD2-CG2 3.75Å; L231-V271 HydrophobicContact CG-CG2 3.97Å
232K97.4Very high97.2Very high123 Ų12369.7 Ų69.754%0.53533%0.329SS..Hα-helixtrans-53.6-41.8175.6-63176.2-176.7167.20111.4E229 S230 E236E229-K232 VanDerWaalsContact CD-NZ 3.33Å; E229-K232 WeakPolarHBondContact O-CB 3.39Å; E229-K232 PolarHBondContact O-N 2.75Å; E229-K232 IonicContact OE1-NZ 3.24Å; E229-K232 PolarHBondContact OE1-NZ 3.06Å; E229-K232 WeakPolarHBondContact OE2-CE 3.4Å; E229-K232 IonicContact OE2-NZ 2.65Å; E229-K232 PolarHBondContact OE2-NZ 3.29Å; S230-K232 VanDerWaalsContact C-N 3.27Å; S230-K232 PolarHBondContact O-N 2.82Å; K232-E236 WeakPolarHBondContact O-CB 3.48Å; K232-E236 PolarHBondContact O-N 3.47Å
233K98.3Very high97.3Very high91 Ų9164.7 Ų64.740%0.39631%0.305SS..Hα-helixtrans-76-38.6178.2-172.757.5178-179.30112.3S230 L231 E236 L237 M249S230-K233 PolarHBondContact O-N 3.22Å; S230-K233 VanDerWaalsContact O-N 3.07Å; L231-K233 PolarHBondContact O-N 3.01Å; K233-E236 VanDerWaalsContact CD-OE2 3.24Å; K233-E236 WeakPolarHBondContact CD-OE2 3.36Å; K233-E236 VanDerWaalsContact NZ-CD 3.3Å; K233-E236 IonicContact NZ-OE1 2.71Å; K233-E236 PolarHBondContact NZ-OE1 3.47Å; K233-E236 IonicContact NZ-OE2 2.8Å; K233-E236 PolarHBondContact NZ-OE2 3.24Å; K233-E236 PolarHBondContact O-N 2.84Å; K233-L237 HydrophobicContact CG-CD1 4.21Å; K233-L237 VanDerWaalsContact O-CG 3.23Å; K233-L237 WeakPolarHBondContact O-CG 3.44Å; K233-L237 PolarHBondContact O-N 3.03Å; K233-M249 HydrophobicContact CB-CE 3.97Å; K233-M249 HydrophobicContact CB-SD 4.46Å; K233-M249 HydrophobicContact CG-CE 3.98Å; K233-M249 HydrophobicContact CG-SD 3.95Å
234I98.4Very high97.4Very high0 Ų070.5 Ų70.50%033%0.33CS..Hα-helixtrans-61.5-47.8177.6-65.7170.5000110.5S230 L231 L237 K238 V246 M249 I253 V271 C274S230-I234 WeakPolarHBondContact O-CG1 3.46Å; S230-I234 PolarHBondContact O-N 3.22Å; S230-I234 VanDerWaalsContact O-N 3.11Å; L231-I234 HydrophobicContact CD2-CB 4.5Å; L231-I234 HydrophobicContact CD2-CD1 4.46Å; L231-I234 PolarHBondContact O-N 3.36Å; I234-L237 PolarHBondContact O-N 3.24Å; I234-K238 WeakPolarHBondContact O-CB 3.32Å; I234-K238 PolarHBondContact O-N 3.48Å; I234-V246 HydrophobicContact CG2-CG1 4.1Å; I234-M249 HydrophobicContact CD1-CB 4.11Å; I234-M249 HydrophobicContact CG1-CB 3.83Å; I234-M249 HydrophobicContact CG1-CE 3.96Å; I234-M249 HydrophobicContact CG1-SD 4.15Å; I234-I253 HydrophobicContact CD1-CD1 3.89Å; I234-V271 HydrophobicContact CD1-CG2 4.32Å; I234-C274 HydrophobicContact CG2-CB 3.85Å
235E97.1Very high97.5Very high85 Ų8574 Ų7440%0.39735%0.347SS..Hα-helixtrans-64-40.2178.4-70.2175.4167.400111.4L231 L237 K238 A239L231-E235 WeakPolarHBondContact O-CB 3.41Å; L231-E235 WeakPolarHBondContact O-CG 3.39Å; L231-E235 PolarHBondContact O-N 3.23Å; E235-L237 VanDerWaalsContact C-N 3.35Å; E235-L237 PolarHBondContact O-N 3.02Å; E235-K238 PolarHBondContact O-N 3.16Å; E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.09Å
236E97.3Very high97.6Very high92 Ų9269.2 Ų69.243%0.4333%0.327SS..Hα-helixtrans-59.3-44.6172.2-170.8-158.6153.700111.5K232 K233 A239 H240K232-E236 WeakPolarHBondContact O-CB 3.48Å; K232-E236 PolarHBondContact O-N 3.47Å; K233-E236 VanDerWaalsContact CD-OE2 3.24Å; K233-E236 WeakPolarHBondContact CD-OE2 3.36Å; K233-E236 VanDerWaalsContact NZ-CD 3.3Å; K233-E236 IonicContact NZ-OE1 2.71Å; K233-E236 PolarHBondContact NZ-OE1 3.47Å; K233-E236 IonicContact NZ-OE2 2.8Å; K233-E236 PolarHBondContact NZ-OE2 3.24Å; K233-E236 PolarHBondContact O-N 2.84Å; E236-A239 PolarHBondContact O-N 2.91Å; E236-H240 PolarHBondContact O-N 3.13Å; E236-H240 PolarHBondContact O-ND1 3.17Å
237L98.2Very high97.7Very high9 Ų964.3 Ų64.35%0.04730%0.304CS..Hα-helixtrans-67.5-39.6178.1-68.6169.7000112K233 I234 E235 H240 W241 K242 Q245 V246 M249K233-L237 HydrophobicContact CG-CD1 4.21Å; K233-L237 VanDerWaalsContact O-CG 3.23Å; K233-L237 WeakPolarHBondContact O-CG 3.44Å; K233-L237 PolarHBondContact O-N 3.03Å; I234-L237 PolarHBondContact O-N 3.24Å; E235-L237 VanDerWaalsContact C-N 3.35Å; E235-L237 PolarHBondContact O-N 3.02Å; L237-H240 CarbonylContact O-C 3.58Å; L237-H240 PolarHBondContact O-N 3.15Å; L237-H240 VanDerWaalsContact O-N 3.17Å; L237-W241 PolarHBondContact O-N 3.27Å; L237-W241 VanDerWaalsContact O-N 3.13Å; L237-K242 HydrophobicContact CB-CB 4.4Å; L237-K242 HydrophobicContact CD2-CB 4.22Å; L237-K242 HydrophobicContact CD2-CD 3.84Å; L237-K242 PolarHBondContact O-N 3.39Å; L237-Q245 HydrophobicContact CD1-CB 3.9Å; L237-Q245 HydrophobicContact CD2-CB 4.3Å; L237-V246 HydrophobicContact CB-CG2 3.62Å; L237-M249 HydrophobicContact CD1-SD 3.56Å; L237-M249 VanDerWaalsContact CD1-SD 3.56Å
238K97.7Very high97.7Very high27 Ų2766.7 Ų66.712%0.11732%0.324CS..Hα-helixtrans-60.6-46.8174.3176.4169.1-175.9176.10110.7I234 E235 H240 W241 W243 V246 D273 D277I234-K238 WeakPolarHBondContact O-CB 3.32Å; I234-K238 PolarHBondContact O-N 3.48Å; E235-K238 PolarHBondContact O-N 3.16Å; K238-H240 PolarHBondContact O-N 2.8Å; K238-H240 VanDerWaalsContact O-N 3.15Å; K238-W241 PolarHBondContact O-N 2.76Å; K238-W243 HydrophobicContact CB-CZ3 4.39Å; K238-W243 HydrophobicContact CD-CZ3 4.46Å; K238-W243 HydrophobicContact CG-CH2 4Å; K238-W243 HydrophobicContact CG-CZ3 3.8Å; K238-V246 HydrophobicContact CB-CG2 4.14Å; K238-D273 IonicContact NZ-OD2 3.71Å; K238-D273 PolarHBondContact NZ-OD2 2.94Å; K238-D273 VanDerWaalsContact NZ-OD2 3.08Å; K238-D277 WeakPolarHBondContact CE-OD2 3.4Å; K238-D277 IonicContact NZ-OD2 2.72Å; K238-D277 PolarHBondContact NZ-OD2 3.4Å
239A94.9Very high97.8Very high55 Ų5566.3 Ų66.346%0.45532%0.323SS..Hα-helixtrans-59.5-26.5175.600000113.2E235 E236E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.09Å; E236-A239 PolarHBondContact O-N 2.91Å
240H96.2Very high97.8Very high117 Ų11761 Ų6154%0.54230%0.298SS..THydrogen-bonded Turntrans-97.910.3175.2-67.287.9000114.2E236 L237 K238 K242E236-H240 PolarHBondContact O-N 3.13Å; E236-H240 PolarHBondContact O-ND1 3.17Å; L237-H240 CarbonylContact O-C 3.58Å; L237-H240 PolarHBondContact O-N 3.15Å; L237-H240 VanDerWaalsContact O-N 3.17Å; K238-H240 PolarHBondContact O-N 2.8Å; K238-H240 VanDerWaalsContact O-N 3.15Å; H240-K242 HydrophobicContact CB-CD 4.49Å; H240-K242 HydrophobicContact CB-CG 4.1Å; H240-K242 PolarHBondContact O-N 3.18Å
241W97.3Very high97.8Very high129 Ų12961.9 Ų61.949%0.48930%0.297SS..THydrogen-bonded Turntrans59.631175.6-58.755.5000113.1Q132 V134 L237 K238 W243Q132-W241 HydrophobicContact CG-CZ2 4.37Å; V134-W241 HydrophobicContact CG1-CZ2 4.06Å; L237-W241 PolarHBondContact O-N 3.27Å; L237-W241 VanDerWaalsContact O-N 3.13Å; K238-W241 PolarHBondContact O-N 2.76Å; W241-W243 VanDerWaalsContact C-N 3.32Å; W241-W243 HydrophobicContact CB-CZ2 4.33Å; W241-W243 HydrophobicContact CD2-CZ2 4.14Å; W241-W243 HydrophobicContact CE3-CZ2 4.04Å; W241-W243 AromaticContact CE3-NE1 3.97Å; W241-W243 HydrophobicContact CG-CZ2 4.3Å; W241-W243 PolarHBondContact O-N 3.25Å
242K98.3Very high97.7Very high99 Ų9965 Ų6543%0.4332%0.324SS..  trans-91.164.2-179.1-59.4-167.2-169.31690111.2L237 H240 E244 Q245 V246L237-K242 HydrophobicContact CB-CB 4.4Å; L237-K242 HydrophobicContact CD2-CB 4.22Å; L237-K242 HydrophobicContact CD2-CD 3.84Å; L237-K242 PolarHBondContact O-N 3.39Å; H240-K242 HydrophobicContact CB-CD 4.49Å; H240-K242 HydrophobicContact CB-CG 4.1Å; H240-K242 PolarHBondContact O-N 3.18Å; K242-E244 PolarHBondContact O-N 2.81Å; K242-Q245 HydrophobicContact CB-CB 4.43Å; K242-Q245 PolarHBondContact O-N 2.9Å; K242-Q245 VanDerWaalsContact O-N 3.08Å; K242-V246 WeakPolarHBondContact O-CG2 3.48Å; K242-V246 PolarHBondContact O-N 3.06Å
243W98.4Very high97.6Very high28 Ų2860.5 Ų60.511%0.10631%0.305CS..Hα-helixtrans-59.1-38.1-167.6-56.3121.7000114.8K238 W241 Q245 V246 L247 D277 A278 N281 L282K238-W243 HydrophobicContact CB-CZ3 4.39Å; K238-W243 HydrophobicContact CD-CZ3 4.46Å; K238-W243 HydrophobicContact CG-CH2 4Å; K238-W243 HydrophobicContact CG-CZ3 3.8Å; W241-W243 VanDerWaalsContact C-N 3.32Å; W241-W243 HydrophobicContact CB-CZ2 4.33Å; W241-W243 HydrophobicContact CD2-CZ2 4.14Å; W241-W243 HydrophobicContact CE3-CZ2 4.04Å; W241-W243 AromaticContact CE3-NE1 3.97Å; W241-W243 HydrophobicContact CG-CZ2 4.3Å; W241-W243 PolarHBondContact O-N 3.25Å; W243-Q245 VanDerWaalsContact C-N 3.3Å; W243-Q245 PolarHBondContact O-N 3.44Å; W243-V246 PolarHBondContact O-N 3.36Å; W243-L247 WeakPolarHBondContact O-CB 3.41Å; W243-L247 PolarHBondContact O-N 3.48Å; W243-D277 HydrophobicContact CZ3-CB 4.36Å; W243-A278 HydrophobicContact CB-CB 4.31Å; W243-A278 HydrophobicContact CE3-CB 4.06Å; W243-N281 HydrophobicContact CB-CB 4.39Å; W243-N281 VanDerWaalsContact CD1-CB 3.49Å; W243-N281 HydrophobicContact CD2-CB 3.92Å; W243-N281 HydrophobicContact CG-CB 3.69Å; W243-N281 PolarHBondContact NE1-OD1 3.39Å; W243-L282 HydrophobicContact CB-CD1 4.21Å; W243-L282 HydrophobicContact CB-CD2 4.09Å; W243-L282 HydrophobicContact CB-CG 3.94Å
244E98.6Very high97.4Very high151 Ų15156.4 Ų56.471%0.70629%0.288SS*.Hα-helixtrans-60.8-41176.7-63.2174.7175.600111.9K242 A248 L282K242-E244 PolarHBondContact O-N 2.81Å; E244-A248 WeakPolarHBondContact O-CB 3.47Å; E244-A248 PolarHBondContact O-N 2.93Å; E244-A248 VanDerWaalsContact O-N 3.07Å; E244-L282 HydrophobicContact CG-CD1 4.39Å; E244-L282 HydrophobicContact CG-CD2 3.78Å
245Q98.6Very high97Very high97 Ų9759.7 Ų59.745%0.45331%0.311SS..Hα-helixtrans-74.7-39.2-179.8-59.5-175.9-50.700111.3L237 K242 W243 A248 M249L237-Q245 HydrophobicContact CD1-CB 3.9Å; L237-Q245 HydrophobicContact CD2-CB 4.3Å; K242-Q245 HydrophobicContact CB-CB 4.43Å; K242-Q245 PolarHBondContact O-N 2.9Å; K242-Q245 VanDerWaalsContact O-N 3.08Å; W243-Q245 VanDerWaalsContact C-N 3.3Å; W243-Q245 PolarHBondContact O-N 3.44Å; Q245-A248 PolarHBondContact O-N 3.49Å; Q245-M249 WeakPolarHBondContact O-CG 3.43Å; Q245-M249 PolarHBondContact O-N 3.48Å; Q245-M249 VanDerWaalsContact O-N 3.12Å
246V98.7Very high96.5Very high0 Ų056.7 Ų56.70%030%0.299CS..Hα-helixtrans-56.3-52.6172.2170.30000109.9I234 L237 K238 K242 W243 A248 M249 C250 C274 A278I234-V246 HydrophobicContact CG2-CG1 4.1Å; L237-V246 HydrophobicContact CB-CG2 3.62Å; K238-V246 HydrophobicContact CB-CG2 4.14Å; K242-V246 WeakPolarHBondContact O-CG2 3.48Å; K242-V246 PolarHBondContact O-N 3.06Å; W243-V246 PolarHBondContact O-N 3.36Å; V246-A248 PolarHBondContact O-N 3.31Å; V246-M249 PolarHBondContact O-N 3.15Å; V246-C250 PolarHBondContact O-N 3.32Å; V246-C250 PolarHBondContact O-SG 3.32Å; V246-C274 HydrophobicContact CG1-CB 4.05Å; V246-A278 HydrophobicContact CB-CB 4.24Å; V246-A278 HydrophobicContact CG1-CB 3.89Å
247L98.6Very high95.1Very high11 Ų1160.8 Ų60.86%0.05832%0.324CS..Hα-helixtrans-61.7-45.7-177.6-177.457.6000111.8W243 M249 C250 Q251 A275 A278 C279 L282 L284 Y291W243-L247 WeakPolarHBondContact O-CB 3.41Å; W243-L247 PolarHBondContact O-N 3.48Å; L247-M249 VanDerWaalsContact C-N 3.33Å; L247-M249 PolarHBondContact O-N 3.38Å; L247-C250 PolarHBondContact O-N 3.05Å; L247-Q251 HydrophobicContact CD1-CG 3.89Å; L247-Q251 HydrophobicContact CG-CG 4.22Å; L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 WeakPolarHBondContact O-CG 3.38Å; L247-Q251 PolarHBondContact O-N 2.91Å; L247-A275 HydrophobicContact CD1-CB 4.36Å; L247-A278 HydrophobicContact CB-CB 3.91Å; L247-C279 WeakPolarHBondContact CD1-SG 3.4Å; L247-L282 HydrophobicContact CB-CD1 4.32Å; L247-L282 HydrophobicContact CD2-CD1 3.81Å; L247-L284 HydrophobicContact CD2-CD1 3.56Å; L247-Y291 HydrophobicContact CD1-CE2 4.3Å
248A98.3Very high93.9Very high57 Ų5764 Ų6447%0.47135%0.347SS..Hα-helixtrans-58.6-43.617900000112.4E244 Q245 V246 A252E244-A248 WeakPolarHBondContact O-CB 3.47Å; E244-A248 PolarHBondContact O-N 2.93Å; E244-A248 VanDerWaalsContact O-N 3.07Å; Q245-A248 PolarHBondContact O-N 3.49Å; V246-A248 PolarHBondContact O-N 3.31Å; A248-A252 PolarHBondContact O-N 2.87Å
249M98.2Very high93.1Very high60 Ų6069.1 Ų69.130%0.29637%0.372SS..Hα-helixtrans-67-42176.4-70-171.569.400112K233 I234 L237 Q245 V246 L247 A252 I253K233-M249 HydrophobicContact CB-CE 3.97Å; K233-M249 HydrophobicContact CB-SD 4.46Å; K233-M249 HydrophobicContact CG-CE 3.98Å; K233-M249 HydrophobicContact CG-SD 3.95Å; I234-M249 HydrophobicContact CD1-CB 4.11Å; I234-M249 HydrophobicContact CG1-CB 3.83Å; I234-M249 HydrophobicContact CG1-CE 3.96Å; I234-M249 HydrophobicContact CG1-SD 4.15Å; L237-M249 HydrophobicContact CD1-SD 3.56Å; L237-M249 VanDerWaalsContact CD1-SD 3.56Å; Q245-M249 WeakPolarHBondContact O-CG 3.43Å; Q245-M249 PolarHBondContact O-N 3.48Å; Q245-M249 VanDerWaalsContact O-N 3.12Å; V246-M249 PolarHBondContact O-N 3.15Å; L247-M249 VanDerWaalsContact C-N 3.33Å; L247-M249 PolarHBondContact O-N 3.38Å; M249-A252 PolarHBondContact O-N 2.84Å; M249-I253 PolarHBondContact O-N 2.87Å
250C98.3Very high92.6Very high0 Ų074.3 Ų74.30%038%0.38CS..Hα-helixtrans-65.1-42.9178.5-63.30000111.7V246 L247 A252 I253 I254 V271 A275V246-C250 PolarHBondContact O-N 3.32Å; V246-C250 PolarHBondContact O-SG 3.32Å; L247-C250 PolarHBondContact O-N 3.05Å; C250-A252 VanDerWaalsContact C-N 3.3Å; C250-A252 PolarHBondContact O-N 2.7Å; C250-I253 PolarHBondContact O-N 2.85Å; C250-I253 VanDerWaalsContact O-N 3.09Å; C250-I254 HydrophobicContact CB-CD1 4.1Å; C250-I254 WeakPolarHBondContact O-CD1 3.49Å; C250-I254 VanDerWaalsContact O-CG1 3.26Å; C250-I254 WeakPolarHBondContact O-CG1 3.47Å; C250-I254 PolarHBondContact O-N 3.3Å; C250-V271 HydrophobicContact CB-CG1 3.76Å; C250-A275 HydrophobicContact CB-CB 3.69Å
251Q97.3Very high92.6Very high63 Ų6369.2 Ų69.229%0.29436%0.356SS..Hα-helixtrans-62.5-36.8177.9-76.1175.6-22.200112.2L247 I253 I254 S255 E287L247-Q251 HydrophobicContact CD1-CG 3.89Å; L247-Q251 HydrophobicContact CG-CG 4.22Å; L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 WeakPolarHBondContact O-CG 3.38Å; L247-Q251 PolarHBondContact O-N 2.91Å; Q251-I253 PolarHBondContact O-N 3.46Å; Q251-I254 PolarHBondContact O-N 3.19Å; Q251-S255 WeakPolarHBondContact O-CB 3.49Å; Q251-S255 PolarHBondContact O-N 2.78Å; Q251-E287 PolarHBondContact NE2-OE2 3.18Å
252A95.8Very high92.6Very high70 Ų7065.4 Ų65.458%0.57935%0.348SS*.Hα-helixtrans-60.6-30.817500000112.7A248 M249 C250 S256A248-A252 PolarHBondContact O-N 2.87Å; M249-A252 PolarHBondContact O-N 2.84Å; C250-A252 VanDerWaalsContact C-N 3.3Å; C250-A252 PolarHBondContact O-N 2.7Å; A252-S256 WeakPolarHBondContact O-CB 3.43Å
253I95.5Very high92.6Very high29 Ų2962.6 Ų62.615%0.14934%0.338CS..Hα-helixtrans-84-52.5176.3-62.2167.3000110.6V227 I234 M249 C250 Q251 S255 S256 V271V227-I253 HydrophobicContact CG1-CD1 4.38Å; V227-I253 HydrophobicContact CG1-CG2 4.31Å; V227-I253 HydrophobicContact CG2-CG2 3.71Å; I234-I253 HydrophobicContact CD1-CD1 3.89Å; M249-I253 PolarHBondContact O-N 2.87Å; C250-I253 PolarHBondContact O-N 2.85Å; C250-I253 VanDerWaalsContact O-N 3.09Å; Q251-I253 PolarHBondContact O-N 3.46Å; I253-S255 VanDerWaalsContact C-N 3.33Å; I253-S255 PolarHBondContact O-N 3.4Å; I253-S256 WeakPolarHBondContact O-CB 3.18Å; I253-S256 PolarHBondContact O-N 3.1Å; I253-S256 PolarHBondContact O-OG 2.87Å; I253-V271 HydrophobicContact CB-CG1 4.23Å; I253-V271 HydrophobicContact CD1-CG1 4.38Å; I253-V271 HydrophobicContact CD1-CG2 4Å; I253-V271 HydrophobicContact CG2-CG1 4.26Å
254I94.6Very high92.6Very high6 Ų663.4 Ų63.43%0.03134%0.344CS..Hα-helixtrans-65.6-37.6-173-62.8160.6000111.9C250 Q251 V271 L272 A275 Y291 R294C250-I254 HydrophobicContact CB-CD1 4.1Å; C250-I254 WeakPolarHBondContact O-CD1 3.49Å; C250-I254 VanDerWaalsContact O-CG1 3.26Å; C250-I254 WeakPolarHBondContact O-CG1 3.47Å; C250-I254 PolarHBondContact O-N 3.3Å; Q251-I254 PolarHBondContact O-N 3.19Å; I254-V271 HydrophobicContact CD1-CG1 3.94Å; I254-V271 HydrophobicContact CG1-CG1 3.77Å; I254-L272 HydrophobicContact CD1-CD2 3.92Å; I254-L272 HydrophobicContact CG1-CD2 4.09Å; I254-L272 HydrophobicContact CG2-CD2 4.34Å; I254-A275 HydrophobicContact CD1-CB 3.69Å; I254-Y291 HydrophobicContact CD1-CD1 4.05Å; I254-Y291 HydrophobicContact CD1-CE1 3.76Å; I254-Y291 HydrophobicContact CG2-CD1 4.46Å; I254-Y291 HydrophobicContact CG2-CE1 3.85Å; I254-R294 VanDerWaalsContact CG2-NH1 3.27Å
255S89.7Confident92.6Very high68 Ų6856.2 Ų56.248%0.47631%0.31SS..THydrogen-bonded Turntrans-104.319.5-177.9-58.60000112.2Q251 I253Q251-S255 WeakPolarHBondContact O-CB 3.49Å; Q251-S255 PolarHBondContact O-N 2.78Å; I253-S255 VanDerWaalsContact C-N 3.33Å; I253-S255 PolarHBondContact O-N 3.4Å
256S85.4Confident92.6Very high22 Ų2251.6 Ų51.615%0.15429%0.288CS..  trans-58.2150179.679.40000111.3A252 I253 S258A252-S256 WeakPolarHBondContact O-CB 3.43Å; I253-S256 WeakPolarHBondContact O-CB 3.18Å; I253-S256 PolarHBondContact O-N 3.1Å; I253-S256 PolarHBondContact O-OG 2.87Å; S256-S258 WeakPolarHBondContact CB-OG 3.33Å; S256-S258 PolarHBondContact OG-OG 3.18Å
257N68.6Low92.6Very high178 Ų17852.1 Ų52.195%0.95229%0.29SS*.SBendtrans-80.9-6.8171.6-68.4-31.3000112.3
258S73.6Confident92.6Very high77 Ų7751.9 Ų51.954%0.53829%0.289SS..SBendtrans-84.1179.8175.256.10000111.4S256 R260S256-S258 WeakPolarHBondContact CB-OG 3.33Å; S256-S258 PolarHBondContact OG-OG 3.18Å; S258-R260 PolarHBondContact O-N 2.96Å
259E79.6Confident92.6Very high135 Ų13549.1 Ų49.163%0.63127%0.267SS*.PPolyproline II helixtrans-59.8127176.4-166.5160.4-165.700111
260R86Confident92.6Very high164 Ų16447.8 Ų47.862%0.61926%0.259SS*.PPolyproline II helixtrans-90.5136.1-176.1-67.2-176.3-177.3175.8-1.2110.6S258S258-R260 PolarHBondContact O-N 2.96Å
261L95.8Very high92.6Very high10 Ų1047.8 Ų47.85%0.05226%0.259CS..PPolyproline II helixtrans-71.2147172.1-67.2171.6000111.2V223 W224 V227 N265 Q268V223-L261 HydrophobicContact CB-CD2 4.14Å; V223-L261 HydrophobicContact CB-CG 4.41Å; V223-L261 HydrophobicContact CG1-CD1 4.09Å; V223-L261 HydrophobicContact CG1-CD2 4.08Å; V223-L261 HydrophobicContact CG1-CG 3.79Å; W224-L261 HydrophobicContact CB-CD1 3.58Å; W224-L261 HydrophobicContact CB-CD2 3.84Å; W224-L261 HydrophobicContact CB-CG 4.36Å; V227-L261 HydrophobicContact CB-CD1 4.3Å; V227-L261 HydrophobicContact CG2-CD1 3.92Å; L261-N265 HydrophobicContact CB-CB 4.36Å; L261-Q268 HydrophobicContact CB-CB 3.82Å; L261-Q268 HydrophobicContact CB-CG 4.15Å; L261-Q268 HydrophobicContact CD1-CB 4.26Å
262P97.4Very high92.7Very high48 Ų4844.8 Ų44.831%0.31225%0.245SC..PPolyproline II helixtrans-67147.6171.430.8-34.8000110.4T218 I264 N265T218-P262 WeakPolarHBondContact OG1-CG 3.27Å; P262-I264 HydrophobicContact CB-CG2 4.2Å; P262-I264 HydrophobicContact CG-CG2 4.34Å; P262-I264 PolarHBondContact O-N 2.63Å; P262-I264 VanDerWaalsContact O-N 3.07Å; P262-N265 HydrophobicContact CG-CB 4.25Å; P262-N265 VanDerWaalsContact O-CB 3.25Å; P262-N265 WeakPolarHBondContact O-CB 3.29Å; P262-N265 PolarHBondContact O-N 3.11Å
263D98.2Very high92.9Very high41 Ų4142.6 Ų42.622%0.21922%0.223CC..THydrogen-bonded Turntrans-65.6-14.7-176.8-67.5-14.5000113.8L272 R294 P298D263-L272 HydrophobicContact CB-CD1 4.03Å; D263-L272 WeakPolarHBondContact OD1-CD1 3.5Å; D263-R294 IonicContact OD1-CZ 3.49Å; D263-R294 IonicContact OD1-NE 2.82Å; D263-R294 IonicContact OD1-NH2 2.68Å; D263-R294 PolarHBondContact OD1-NH2 3.48Å; D263-R294 WeakPolarHBondContact OD2-CB 3.38Å; D263-R294 IonicContact OD2-CZ 3.57Å; D263-R294 IonicContact OD2-NE 2.75Å; D263-R294 PolarHBondContact OD2-NE 3.06Å; D263-R294 IonicContact OD2-NH2 3.49Å; D263-R294 PolarHBondContact OD2-NH2 2.97Å; D263-P298 HydrophobicContact CB-CG 4.33Å; D263-P298 WeakPolarHBondContact O-CG 3.22Å
264I98Very high93Very high44 Ų4441.4 Ų41.423%0.22622%0.218CC..THydrogen-bonded Turntrans-80.1-16.4173.2-163.6167.2000112.8D215 T218 P262 I266 I301 F302D215-I264 HydrophobicContact CB-CD1 4.4Å; T218-I264 VanDerWaalsContact OG1-CG2 3.32Å; T218-I264 WeakPolarHBondContact OG1-CG2 3.48Å; P262-I264 HydrophobicContact CB-CG2 4.2Å; P262-I264 HydrophobicContact CG-CG2 4.34Å; P262-I264 PolarHBondContact O-N 2.63Å; P262-I264 VanDerWaalsContact O-N 3.07Å; I264-I266 PolarHBondContact O-N 3.43Å; I264-I301 HydrophobicContact CD1-CD1 3.62Å; I264-F302 HydrophobicContact CD1-CZ 4.3Å; I264-F302 HydrophobicContact CG1-CE2 3.72Å; I264-F302 HydrophobicContact CG1-CZ 3.52Å; I264-F302 WeakPolarHBondContact O-CE2 3.19Å; I264-F302 VanDerWaalsContact O-CZ 3.31Å; I264-F302 WeakPolarHBondContact O-CZ 3.2Å
265N98.7Very high93.2Very high0 Ų041.1 Ų41.10%022%0.216CC..SBendtrans-63.3126.6170.4179.6-75.3000109M216 T218 L261 P262 Y267 Q268 L269M216-N265 CarbonylContact O-C 3.6Å; M216-N265 VanDerWaalsContact O-CA 3.29Å; M216-N265 WeakPolarHBondContact O-CA 3.32Å; T218-N265 WeakPolarHBondContact O-CB 3.49Å; T218-N265 PolarHBondContact O-ND2 2.87Å; L261-N265 HydrophobicContact CB-CB 4.36Å; P262-N265 HydrophobicContact CG-CB 4.25Å; P262-N265 VanDerWaalsContact O-CB 3.25Å; P262-N265 WeakPolarHBondContact O-CB 3.29Å; P262-N265 PolarHBondContact O-N 3.11Å; N265-Y267 VanDerWaalsContact C-N 3.25Å; N265-Y267 PolarHBondContact O-N 3.21Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.23Å; N265-Y267 WeakPolarHBondContact OD1-CD2 3.5Å; N265-Y267 PolarHBondContact OD1-N 3.28Å; N265-Q268 HydrophobicContact CB-CB 4.14Å; N265-Q268 PolarHBondContact O-N 3.01Å; N265-Q268 PolarHBondContact OD1-N 2.98Å; N265-L269 WeakPolarHBondContact O-CB 3.47Å; N265-L269 PolarHBondContact O-N 3.31Å
266I98.7Very high93.6Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-64.3-29.4-170.555171.6000113.3L184 T186 M216 I264 L269 K270 F302L184-I266 HydrophobicContact CB-CB 4.4Å; L184-I266 HydrophobicContact CB-CG2 4.39Å; L184-I266 HydrophobicContact CD2-CG2 4.35Å; T186-I266 HydrophobicContact CG2-CD1 4.07Å; M216-I266 HydrophobicContact CB-CB 4.46Å; M216-I266 HydrophobicContact CB-CD1 4.21Å; M216-I266 HydrophobicContact CB-CG1 4.16Å; M216-I266 HydrophobicContact CB-CG2 3.58Å; M216-I266 HydrophobicContact CE-CG2 4.38Å; M216-I266 HydrophobicContact CG-CG2 3.41Å; M216-I266 VanDerWaalsContact CG-CG2 3.41Å; M216-I266 PolarHBondContact O-N 3Å; M216-I266 HydrophobicContact SD-CD1 4.38Å; M216-I266 HydrophobicContact SD-CG2 3.96Å; I264-I266 PolarHBondContact O-N 3.43Å; I266-L269 PolarHBondContact O-N 3.17Å; I266-K270 WeakPolarHBondContact O-CB 3.33Å; I266-K270 VanDerWaalsContact O-CG 3.27Å; I266-K270 WeakPolarHBondContact O-CG 3.47Å; I266-K270 PolarHBondContact O-N 3.26Å; I266-F302 HydrophobicContact CG2-CD2 4.48Å; I266-F302 HydrophobicContact CG2-CE2 4.09Å; I266-F302 HydrophobicContact CG2-CZ 4.24Å
267Y98.5Very high94.2Very high11 Ų1137.3 Ų37.34%0.04319%0.189CC..Hα-helixtrans-75.6-42.9178.4-50.4-67.6000110.6E189 L217 W224 Q228 L231 N265 L269 K270 V271E189-Y267 PolarHBondContact OE1-OH 2.92Å; E189-Y267 VanDerWaalsContact OE1-OH 3.11Å; L217-Y267 HydrophobicContact CD2-CE2 3.6Å; W224-Y267 HydrophobicContact CB-CD2 3.99Å; W224-Y267 HydrophobicContact CD2-CD2 4.18Å; W224-Y267 AromaticContact CD2-CE2 3.92Å; W224-Y267 HydrophobicContact CD2-CE2 3.92Å; W224-Y267 AromaticContact CE3-CD2 3.76Å; W224-Y267 HydrophobicContact CE3-CD2 3.76Å; W224-Y267 AromaticContact CE3-CE2 3.26Å; W224-Y267 HydrophobicContact CE3-CE2 3.26Å; W224-Y267 HydrophobicContact CG-CD2 4.3Å; W224-Y267 HydrophobicContact CG-CE2 4.49Å; W224-Y267 AromaticContact CZ3-CE2 3.75Å; W224-Y267 HydrophobicContact CZ3-CE2 3.75Å; Q228-Y267 HydrophobicContact CB-CD1 3.8Å; Q228-Y267 HydrophobicContact CB-CD2 4.49Å; Q228-Y267 HydrophobicContact CB-CE1 3.85Å; Q228-Y267 HydrophobicContact CB-CG 4.12Å; Q228-Y267 HydrophobicContact CG-CD1 3.85Å; Q228-Y267 HydrophobicContact CG-CE1 3.48Å; Q228-Y267 VanDerWaalsContact CG-CE1 3.48Å; Q228-Y267 PolarHBondContact NE2-OH 3.49Å; L231-Y267 HydrophobicContact CD1-CD1 4.01Å; L231-Y267 HydrophobicContact CD1-CG 4.4Å; N265-Y267 VanDerWaalsContact C-N 3.25Å; N265-Y267 PolarHBondContact O-N 3.21Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.23Å; N265-Y267 WeakPolarHBondContact OD1-CD2 3.5Å; N265-Y267 PolarHBondContact OD1-N 3.28Å; Y267-L269 VanDerWaalsContact C-N 3.28Å; Y267-L269 PolarHBondContact O-N 2.79Å; Y267-K270 PolarHBondContact O-N 3.12Å; Y267-V271 WeakPolarHBondContact O-CG2 3.08Å; Y267-V271 PolarHBondContact O-N 3.38Å
268Q98.4Very high95.7Very high6 Ų628.8 Ų28.83%0.02814%0.143CC..Hα-helixtrans-59.7-40.8170.6176.256.227.700111.5L261 N265 V271 L272L261-Q268 HydrophobicContact CB-CB 3.82Å; L261-Q268 HydrophobicContact CB-CG 4.15Å; L261-Q268 HydrophobicContact CD1-CB 4.26Å; N265-Q268 HydrophobicContact CB-CB 4.14Å; N265-Q268 PolarHBondContact O-N 3.01Å; N265-Q268 PolarHBondContact OD1-N 2.98Å; Q268-V271 WeakPolarHBondContact O-CB 3.41Å; Q268-V271 PolarHBondContact O-N 3.29Å; Q268-L272 HydrophobicContact CG-CD1 4.36Å; Q268-L272 WeakPolarHBondContact O-CG 3.42Å; Q268-L272 PolarHBondContact O-N 3.09Å
269L98.7Very high96.9Very high0 Ų025.1 Ų25.10%012%0.118CC..Hα-helixtrans-63.6-43.7178.7-174.258.9000112.4L184 N265 I266 Y267 V271 L272 D273 T295 P298 Y299 F302L184-L269 HydrophobicContact CD1-CD2 3.89Å; L184-L269 HydrophobicContact CD1-CG 4.16Å; L184-L269 HydrophobicContact CD2-CD2 3.74Å; L184-L269 HydrophobicContact CG-CD2 4.49Å; N265-L269 WeakPolarHBondContact O-CB 3.47Å; N265-L269 PolarHBondContact O-N 3.31Å; I266-L269 PolarHBondContact O-N 3.17Å; Y267-L269 VanDerWaalsContact C-N 3.28Å; Y267-L269 PolarHBondContact O-N 2.79Å; L269-V271 VanDerWaalsContact C-N 3.31Å; L269-V271 PolarHBondContact O-N 3.1Å; L269-L272 PolarHBondContact O-N 3.08Å; L269-D273 PolarHBondContact O-N 2.91Å; L269-T295 HydrophobicContact CD1-CG2 3.76Å; L269-P298 HydrophobicContact CD1-CB 3.72Å; L269-P298 HydrophobicContact CD1-CG 4.13Å; L269-P298 HydrophobicContact CD2-CB 3.59Å; L269-P298 HydrophobicContact CG-CB 4.26Å; L269-Y299 HydrophobicContact CD1-CD2 3.92Å; L269-Y299 HydrophobicContact CD1-CE2 3.8Å; L269-Y299 HydrophobicContact CD2-CD2 4.02Å; L269-Y299 HydrophobicContact CD2-CE2 4.03Å; L269-Y299 HydrophobicContact CG-CD2 4.24Å; L269-Y299 HydrophobicContact CG-CE2 3.89Å; L269-F302 HydrophobicContact CD2-CD2 3.87Å; L269-F302 HydrophobicContact CD2-CE2 4.19Å
270K98.7Very high97.8Very high32 Ų3221.4 Ų21.414%0.13910%0.101CC..Hα-helixtrans-61.5-38.5173.8-75.5169179.5-79.70111.8D182 L184 L231 I266 Y267 D273 C274D182-K270 IonicContact OD2-NZ 3.66Å; D182-K270 PolarHBondContact OD2-NZ 3.47Å; L184-K270 HydrophobicContact CD1-CG 4.03Å; L184-K270 WeakPolarHBondContact O-CE 3.48Å; L231-K270 HydrophobicContact CD1-CB 3.9Å; L231-K270 HydrophobicContact CD1-CD 4.03Å; L231-K270 HydrophobicContact CD2-CB 3.86Å; I266-K270 WeakPolarHBondContact O-CB 3.33Å; I266-K270 VanDerWaalsContact O-CG 3.27Å; I266-K270 WeakPolarHBondContact O-CG 3.47Å; I266-K270 PolarHBondContact O-N 3.26Å; Y267-K270 PolarHBondContact O-N 3.12Å; K270-D273 PolarHBondContact O-N 3.24Å; K270-C274 WeakPolarHBondContact O-CB 3.34Å; K270-C274 PolarHBondContact O-N 2.97Å; K270-C274 PolarHBondContact O-SG 2.87Å
271V98.6Very high98.3Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-64.5-43.4174.8172.80000111.2V227 L231 I234 C250 I253 I254 Y267 Q268 L269 C274 A275V227-V271 HydrophobicContact CG1-CG2 3.73Å; L231-V271 HydrophobicContact CD1-CG2 4.45Å; L231-V271 HydrophobicContact CD2-CG2 3.75Å; L231-V271 HydrophobicContact CG-CG2 3.97Å; I234-V271 HydrophobicContact CD1-CG2 4.32Å; C250-V271 HydrophobicContact CB-CG1 3.76Å; I253-V271 HydrophobicContact CB-CG1 4.23Å; I253-V271 HydrophobicContact CD1-CG1 4.38Å; I253-V271 HydrophobicContact CD1-CG2 4Å; I253-V271 HydrophobicContact CG2-CG1 4.26Å; I254-V271 HydrophobicContact CD1-CG1 3.94Å; I254-V271 HydrophobicContact CG1-CG1 3.77Å; Y267-V271 WeakPolarHBondContact O-CG2 3.08Å; Y267-V271 PolarHBondContact O-N 3.38Å; Q268-V271 WeakPolarHBondContact O-CB 3.41Å; Q268-V271 PolarHBondContact O-N 3.29Å; L269-V271 VanDerWaalsContact C-N 3.31Å; L269-V271 PolarHBondContact O-N 3.1Å; V271-C274 PolarHBondContact O-N 3.25Å; V271-A275 WeakPolarHBondContact O-CB 3.4Å; V271-A275 PolarHBondContact O-N 3.31Å
272L98.7Very high98.5Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-62.5-42.8176.4-71.1168.4000112.4I254 D263 Q268 L269 A275 M276 Y291 R294 T295I254-L272 HydrophobicContact CD1-CD2 3.92Å; I254-L272 HydrophobicContact CG1-CD2 4.09Å; I254-L272 HydrophobicContact CG2-CD2 4.34Å; D263-L272 HydrophobicContact CB-CD1 4.03Å; D263-L272 WeakPolarHBondContact OD1-CD1 3.5Å; Q268-L272 HydrophobicContact CG-CD1 4.36Å; Q268-L272 WeakPolarHBondContact O-CG 3.42Å; Q268-L272 PolarHBondContact O-N 3.09Å; L269-L272 PolarHBondContact O-N 3.08Å; L272-A275 PolarHBondContact O-N 3.45Å; L272-M276 WeakPolarHBondContact O-CB 3.49Å; L272-M276 PolarHBondContact O-N 3.35Å; L272-Y291 HydrophobicContact CD2-CD1 3.81Å; L272-Y291 HydrophobicContact CD2-CG 4.42Å; L272-R294 HydrophobicContact CD1-CB 4.13Å; L272-R294 VanDerWaalsContact CD2-CZ 3.49Å; L272-T295 HydrophobicContact CB-CG2 3.7Å; L272-T295 HydrophobicContact CD1-CG2 4.48Å
273D98.6Very high98.5Very high23 Ų2320 Ų2012%0.12312%0.115CC..Hα-helixtrans-61.3-47.4175.5-179.974.2000111.8K238 L269 K270 A275 M276 D277 Y299K238-D273 IonicContact NZ-OD2 3.71Å; K238-D273 PolarHBondContact NZ-OD2 2.94Å; K238-D273 VanDerWaalsContact NZ-OD2 3.08Å; L269-D273 PolarHBondContact O-N 2.91Å; K270-D273 PolarHBondContact O-N 3.24Å; D273-A275 VanDerWaalsContact C-N 3.34Å; D273-A275 PolarHBondContact O-N 3.4Å; D273-M276 WeakPolarHBondContact O-CB 3.39Å; D273-M276 PolarHBondContact O-N 2.8Å; D273-D277 PolarHBondContact O-N 3.46Å; D273-Y299 PolarHBondContact OD1-OH 3.33Å; D273-Y299 VanDerWaalsContact OD1-OH 3.1Å
274C98.6Very high98.5Very high5 Ų521.6 Ų21.63%0.03412%0.123CC..Hα-helixtrans-61.5-41.3176.5-69.60000112.5I234 V246 K270 V271 A278I234-C274 HydrophobicContact CG2-CB 3.85Å; V246-C274 HydrophobicContact CG1-CB 4.05Å; K270-C274 WeakPolarHBondContact O-CB 3.34Å; K270-C274 PolarHBondContact O-N 2.97Å; K270-C274 PolarHBondContact O-SG 2.87Å; V271-C274 PolarHBondContact O-N 3.25Å; C274-A278 WeakPolarHBondContact O-CB 3.44Å; C274-A278 PolarHBondContact O-N 3.42Å
275A98.8Very high98.5Very high0 Ų022.8 Ų22.80%013%0.13CC..Hα-helixtrans-63.6-44.8175.900000111.4L247 C250 I254 V271 L272 D273 A278 C279 Y291L247-A275 HydrophobicContact CD1-CB 4.36Å; C250-A275 HydrophobicContact CB-CB 3.69Å; I254-A275 HydrophobicContact CD1-CB 3.69Å; V271-A275 WeakPolarHBondContact O-CB 3.4Å; V271-A275 PolarHBondContact O-N 3.31Å; L272-A275 PolarHBondContact O-N 3.45Å; D273-A275 VanDerWaalsContact C-N 3.34Å; D273-A275 PolarHBondContact O-N 3.4Å; A275-A278 PolarHBondContact O-N 3Å; A275-C279 WeakPolarHBondContact O-CB 3.23Å; A275-C279 PolarHBondContact O-N 2.85Å; A275-C279 PolarHBondContact O-SG 3.49Å; A275-Y291 HydrophobicContact CB-CD2 3.56Å; A275-Y291 HydrophobicContact CB-CE2 3.75Å; A275-Y291 HydrophobicContact CB-CG 4.05Å
276M98.6Very high98.5Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-58.5-51.9176.5-176.5-166.269.100111.1L272 D273 A278 C279 I280 A288 G292 Q313 K316L272-M276 WeakPolarHBondContact O-CB 3.49Å; L272-M276 PolarHBondContact O-N 3.35Å; D273-M276 WeakPolarHBondContact O-CB 3.39Å; D273-M276 PolarHBondContact O-N 2.8Å; M276-A278 VanDerWaalsContact C-N 3.31Å; M276-A278 PolarHBondContact O-N 3.09Å; M276-C279 PolarHBondContact O-N 2.99Å; M276-I280 HydrophobicContact CE-CD1 4.26Å; M276-I280 HydrophobicContact CG-CD1 4.01Å; M276-I280 WeakPolarHBondContact O-CG1 3.47Å; M276-I280 PolarHBondContact O-N 3.39Å; M276-I280 HydrophobicContact SD-CD1 4.43Å; M276-A288 HydrophobicContact CG-CB 4.39Å; M276-A288 WeakPolarHBondContact CG-O 3.33Å; M276-G292 WeakPolarHBondContact SD-CA 3.39Å; M276-Q313 VanDerWaalsContact CE-NE2 3.27Å; M276-Q313 PolarHBondContact SD-NE2 3.26Å; M276-K316 HydrophobicContact CE-CD 3.7Å
277D98.4Very high98.4Very high9 Ų933.9 Ų33.95%0.04818%0.182CC..Hα-helixtrans-60.4-41.1179.1-82.7-19.1000111.7K238 W243 D273 I280 N281 K316K238-D277 WeakPolarHBondContact CE-OD2 3.4Å; K238-D277 IonicContact NZ-OD2 2.72Å; K238-D277 PolarHBondContact NZ-OD2 3.4Å; W243-D277 HydrophobicContact CZ3-CB 4.36Å; D273-D277 PolarHBondContact O-N 3.46Å; D277-I280 PolarHBondContact O-N 2.84Å; D277-N281 PolarHBondContact O-N 3.41Å; D277-N281 PolarHBondContact O-ND2 3.36Å; D277-K316 IonicContact OD1-NZ 2.68Å; D277-K316 PolarHBondContact OD1-NZ 3.39Å; D277-K316 IonicContact OD2-NZ 2.97Å
278A98.7Very high98.4Very high0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-62.6-46.717600000111.7W243 V246 L247 C274 A275 M276 I280 N281 L282W243-A278 HydrophobicContact CB-CB 4.31Å; W243-A278 HydrophobicContact CE3-CB 4.06Å; V246-A278 HydrophobicContact CB-CB 4.24Å; V246-A278 HydrophobicContact CG1-CB 3.89Å; L247-A278 HydrophobicContact CB-CB 3.91Å; C274-A278 WeakPolarHBondContact O-CB 3.44Å; C274-A278 PolarHBondContact O-N 3.42Å; A275-A278 PolarHBondContact O-N 3Å; M276-A278 VanDerWaalsContact C-N 3.31Å; M276-A278 PolarHBondContact O-N 3.09Å; A278-I280 PolarHBondContact O-N 3Å; A278-N281 PolarHBondContact O-N 3.2Å; A278-L282 WeakPolarHBondContact O-CB 3.48Å; A278-L282 VanDerWaalsContact O-CG 3.23Å; A278-L282 WeakPolarHBondContact O-CG 3.43Å; A278-L282 PolarHBondContact O-N 3.27Å
279C98.8Very high98.4Very high0 Ų033.4 Ų33.40%018%0.18CC..Hα-helixtrans-60.6-42.3176.3-71.90000112.1L247 A275 M276 N281 L282 G283 L284 A288L247-C279 WeakPolarHBondContact CD1-SG 3.4Å; A275-C279 WeakPolarHBondContact O-CB 3.23Å; A275-C279 PolarHBondContact O-N 2.85Å; A275-C279 PolarHBondContact O-SG 3.49Å; M276-C279 PolarHBondContact O-N 2.99Å; C279-N281 PolarHBondContact O-N 3.29Å; C279-L282 CarbonylContact O-C 3.5Å; C279-L282 PolarHBondContact O-N 2.88Å; C279-G283 PolarHBondContact O-N 2.94Å; C279-L284 HydrophobicContact CB-CB 4.02Å; C279-L284 WeakPolarHBondContact CB-O 3.43Å; C279-L284 PolarHBondContact O-N 3.33Å; C279-A288 HydrophobicContact CB-CB 3.6Å
280I98.3Very high98.4Very high56 Ų5638.9 Ų38.929%0.28720%0.204SC..Hα-helixtrans-58.3-48.4175.3-69.4168.8000110.3M276 D277 A278 L282 G283 A288 K316 L320M276-I280 HydrophobicContact CE-CD1 4.26Å; M276-I280 HydrophobicContact CG-CD1 4.01Å; M276-I280 WeakPolarHBondContact O-CG1 3.47Å; M276-I280 PolarHBondContact O-N 3.39Å; M276-I280 HydrophobicContact SD-CD1 4.43Å; D277-I280 PolarHBondContact O-N 2.84Å; A278-I280 PolarHBondContact O-N 3Å; I280-L282 VanDerWaalsContact C-N 3.29Å; I280-L282 PolarHBondContact O-N 3.19Å; I280-G283 PolarHBondContact O-N 2.98Å; I280-A288 HydrophobicContact CG1-CB 3.8Å; I280-K316 HydrophobicContact CD1-CB 4.45Å; I280-K316 HydrophobicContact CD1-CD 4.22Å; I280-K316 HydrophobicContact CD1-CG 4.49Å; I280-L320 HydrophobicContact CD1-CD1 4.29Å; I280-L320 HydrophobicContact CG1-CD1 4.35Å; I280-L320 HydrophobicContact CG1-CD2 4.42Å
281N98.1Very high98.4Very high80 Ų8037.9 Ų37.943%0.42820%0.2SC..Hα-helixtrans-68.8-26.1-178.6-79.8-86.1000113.4W243 D277 A278 C279W243-N281 HydrophobicContact CB-CB 4.39Å; W243-N281 VanDerWaalsContact CD1-CB 3.49Å; W243-N281 HydrophobicContact CD2-CB 3.92Å; W243-N281 HydrophobicContact CG-CB 3.69Å; W243-N281 PolarHBondContact NE1-OD1 3.39Å; D277-N281 PolarHBondContact O-N 3.41Å; D277-N281 PolarHBondContact O-ND2 3.36Å; A278-N281 PolarHBondContact O-N 3.2Å; C279-N281 PolarHBondContact O-N 3.29Å
282L98.4Very high98.4Very high63 Ų6337.9 Ų37.933%0.3320%0.2SC..Hα-helixtrans-90.6-3.4176.8-65.5171.2000113.4W243 E244 L247 A278 C279 I280 L284W243-L282 HydrophobicContact CB-CD1 4.21Å; W243-L282 HydrophobicContact CB-CD2 4.09Å; W243-L282 HydrophobicContact CB-CG 3.94Å; E244-L282 HydrophobicContact CG-CD1 4.39Å; E244-L282 HydrophobicContact CG-CD2 3.78Å; L247-L282 HydrophobicContact CB-CD1 4.32Å; L247-L282 HydrophobicContact CD2-CD1 3.81Å; A278-L282 WeakPolarHBondContact O-CB 3.48Å; A278-L282 VanDerWaalsContact O-CG 3.23Å; A278-L282 WeakPolarHBondContact O-CG 3.43Å; A278-L282 PolarHBondContact O-N 3.27Å; C279-L282 CarbonylContact O-C 3.5Å; C279-L282 PolarHBondContact O-N 2.88Å; I280-L282 VanDerWaalsContact C-N 3.29Å; I280-L282 PolarHBondContact O-N 3.19Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L282-L284 HydrophobicContact CB-CD1 4.26Å; L282-L284 HydrophobicContact CB-CG 4.18Å; L282-L284 HydrophobicContact CD1-CD1 4.48Å
283G98.1Very high98.4Very high50 Ų5041.7 Ų41.752%0.51522%0.219SC..THydrogen-bonded Turntrans75.914.5-177.700000114.7C279 I280 L285C279-G283 PolarHBondContact O-N 2.94Å; I280-G283 PolarHBondContact O-N 2.98Å; G283-L285 VanDerWaalsContact C-N 3.28Å; G283-L285 PolarHBondContact O-N 3.23Å; G283-L285 VanDerWaalsContact O-N 3.09Å
284L98.3Very high98.4Very high74 Ų7443.2 Ų43.239%0.38722%0.223SC..  trans-85.665.8177.6-59.3174.9000110.4L247 C279 L282 E286 E287 A288L247-L284 HydrophobicContact CD2-CD1 3.56Å; C279-L284 HydrophobicContact CB-CB 4.02Å; C279-L284 WeakPolarHBondContact CB-O 3.43Å; C279-L284 PolarHBondContact O-N 3.33Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L282-L284 HydrophobicContact CB-CD1 4.26Å; L282-L284 HydrophobicContact CB-CG 4.18Å; L282-L284 HydrophobicContact CD1-CD1 4.48Å; L284-E286 PolarHBondContact O-N 2.72Å; L284-E287 PolarHBondContact O-N 3.04Å; L284-A288 WeakPolarHBondContact O-CB 3.41Å; L284-A288 PolarHBondContact O-N 3.08Å
285L97.9Very high98.4Very high70 Ų7043 Ų4337%0.36622%0.221SC..Hα-helixtrans-67.8-30.5-164.8-54.5-174.9000114.3G283 L289 L320 Q324G283-L285 VanDerWaalsContact C-N 3.28Å; G283-L285 PolarHBondContact O-N 3.23Å; G283-L285 VanDerWaalsContact O-N 3.09Å; L285-L289 PolarHBondContact O-N 2.96Å; L285-L320 HydrophobicContact CB-CD2 4.03Å; L285-L320 HydrophobicContact CD2-CD2 3.95Å; L285-L320 HydrophobicContact CG-CD2 4.5Å; L285-Q324 PolarHBondContact O-NE2 3.11Å; L285-Q324 VanDerWaalsContact O-NE2 3.12Å
286E97.8Very high98.4Very high153 Ų15344.6 Ų44.672%0.71523%0.229SC*.Hα-helixtrans-68.5-47.1177.1-67177.9-172.900111.4L284 L289 F290L284-E286 PolarHBondContact O-N 2.72Å; E286-L289 PolarHBondContact O-N 3.24Å; E286-F290 PolarHBondContact O-N 3.03Å
287E98.1Very high98.4Very high79 Ų7949.1 Ų49.137%0.36925%0.25SS..Hα-helixtrans-64.5-40.2175-68.5-174.1179.200111.6Q251 L284 L289 F290 Y291Q251-E287 PolarHBondContact NE2-OE2 3.18Å; L284-E287 PolarHBondContact O-N 3.04Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 3.03Å; E287-F290 WeakPolarHBondContact O-CB 3.49Å; E287-F290 PolarHBondContact O-N 2.87Å; E287-Y291 HydrophobicContact CB-CE2 4.28Å; E287-Y291 VanDerWaalsContact O-CD2 3.23Å; E287-Y291 WeakPolarHBondContact O-CD2 3.44Å; E287-Y291 PolarHBondContact O-N 3.35Å
288A98.6Very high98.4Very high0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-56.3-45.6173.600000111.2M276 C279 I280 L284 F290 Y291 G292 L320M276-A288 HydrophobicContact CG-CB 4.39Å; M276-A288 WeakPolarHBondContact CG-O 3.33Å; C279-A288 HydrophobicContact CB-CB 3.6Å; I280-A288 HydrophobicContact CG1-CB 3.8Å; L284-A288 WeakPolarHBondContact O-CB 3.41Å; L284-A288 PolarHBondContact O-N 3.08Å; A288-F290 VanDerWaalsContact C-N 3.35Å; A288-F290 PolarHBondContact O-N 2.76Å; A288-Y291 PolarHBondContact O-N 3.3Å; A288-G292 PolarHBondContact O-N 2.79Å; A288-L320 HydrophobicContact CB-CD1 3.84Å; A288-L320 HydrophobicContact CB-CD2 4.07Å
289L98.7Very high98.4Very high8 Ų849.5 Ų49.54%0.04225%0.252CS..Hα-helixtrans-65.4-40.3179.3-178.359.3000111.7L285 E286 E287 G292 I293 V317 L320 Q321 M326L285-L289 PolarHBondContact O-N 2.96Å; E286-L289 PolarHBondContact O-N 3.24Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 3.03Å; L289-G292 PolarHBondContact O-N 3.13Å; L289-I293 HydrophobicContact CD1-CD1 3.7Å; L289-I293 HydrophobicContact CD1-CG1 3.74Å; L289-I293 HydrophobicContact CD2-CD1 4.34Å; L289-I293 HydrophobicContact CG-CD1 3.73Å; L289-I293 HydrophobicContact CG-CG1 4.21Å; L289-I293 WeakPolarHBondContact O-CB 3.39Å; L289-I293 WeakPolarHBondContact O-CG1 3.19Å; L289-I293 PolarHBondContact O-N 3.43Å; L289-V317 HydrophobicContact CD1-CG1 3.99Å; L289-L320 HydrophobicContact CB-CB 4.19Å; L289-L320 HydrophobicContact CB-CD1 4.43Å; L289-L320 HydrophobicContact CD1-CB 3.94Å; L289-Q321 HydrophobicContact CD1-CG 3.6Å; L289-Q321 HydrophobicContact CD2-CG 3.99Å; L289-Q321 HydrophobicContact CG-CG 4.47Å; L289-M326 HydrophobicContact CD2-SD 3.77Å
290F98.3Very high98.4Very high115 Ų11555.4 Ų55.450%0.50428%0.275SS..Hα-helixtrans-58.5-48.2176.6172-106.1000112.1E286 E287 A288 R294E286-F290 PolarHBondContact O-N 3.03Å; E287-F290 WeakPolarHBondContact O-CB 3.49Å; E287-F290 PolarHBondContact O-N 2.87Å; A288-F290 VanDerWaalsContact C-N 3.35Å; A288-F290 PolarHBondContact O-N 2.76Å; F290-R294 WeakPolarHBondContact O-CG 2.99Å
291Y98.6Very high98.4Very high11 Ų1154.8 Ų54.84%0.04327%0.271CS..Hα-helixtrans-68.2-43.7176.2-58.7-43.5000111.8L247 I254 L272 A275 E287 A288 I293 R294 T295L247-Y291 HydrophobicContact CD1-CE2 4.3Å; I254-Y291 HydrophobicContact CD1-CD1 4.05Å; I254-Y291 HydrophobicContact CD1-CE1 3.76Å; I254-Y291 HydrophobicContact CG2-CD1 4.46Å; I254-Y291 HydrophobicContact CG2-CE1 3.85Å; L272-Y291 HydrophobicContact CD2-CD1 3.81Å; L272-Y291 HydrophobicContact CD2-CG 4.42Å; A275-Y291 HydrophobicContact CB-CD2 3.56Å; A275-Y291 HydrophobicContact CB-CE2 3.75Å; A275-Y291 HydrophobicContact CB-CG 4.05Å; E287-Y291 HydrophobicContact CB-CE2 4.28Å; E287-Y291 VanDerWaalsContact O-CD2 3.23Å; E287-Y291 WeakPolarHBondContact O-CD2 3.44Å; E287-Y291 PolarHBondContact O-N 3.35Å; A288-Y291 PolarHBondContact O-N 3.3Å; Y291-I293 PolarHBondContact O-N 3.11Å; Y291-R294 WeakPolarHBondContact O-CB 3.15Å; Y291-R294 PolarHBondContact O-N 3.43Å; Y291-T295 WeakPolarHBondContact O-CG2 3.45Å; Y291-T295 PolarHBondContact O-N 2.94Å
292G98.5Very high98.4Very high0 Ų051 Ų510%025%0.251CS..Hα-helixtrans-62.3-40.3-178.300000113.9M276 A288 L289 R294 T295 M296M276-G292 WeakPolarHBondContact SD-CA 3.39Å; A288-G292 PolarHBondContact O-N 2.79Å; L289-G292 PolarHBondContact O-N 3.13Å; G292-R294 VanDerWaalsContact C-N 3.27Å; G292-R294 PolarHBondContact O-N 3.28Å; G292-T295 PolarHBondContact O-N 3.08Å; G292-T295 PolarHBondContact O-OG1 2.94Å; G292-M296 WeakPolarHBondContact O-CG 3.45Å
293I98.6Very high98.4Very high79 Ų7948 Ų4841%0.40524%0.236SC..Hα-helixtrans-61.5-38.4176.5-74.1171.5000111.1L289 Y291 T295 M296 V317L289-I293 HydrophobicContact CD1-CD1 3.7Å; L289-I293 HydrophobicContact CD1-CG1 3.74Å; L289-I293 HydrophobicContact CD2-CD1 4.34Å; L289-I293 HydrophobicContact CG-CD1 3.73Å; L289-I293 HydrophobicContact CG-CG1 4.21Å; L289-I293 WeakPolarHBondContact O-CB 3.39Å; L289-I293 WeakPolarHBondContact O-CG1 3.19Å; L289-I293 PolarHBondContact O-N 3.43Å; Y291-I293 PolarHBondContact O-N 3.11Å; I293-T295 VanDerWaalsContact C-N 3.26Å; I293-T295 PolarHBondContact O-N 3.03Å; I293-M296 WeakPolarHBondContact O-CB 3.24Å; I293-M296 WeakPolarHBondContact O-CG 3.3Å; I293-M296 PolarHBondContact O-N 3.07Å; I293-V317 HydrophobicContact CG1-CG1 4.1Å
294R98.6Very high98.3Very high55 Ų5548.3 Ų48.321%0.20823%0.229CC..Hα-helixtrans-65.7-28-179.9-7217063.1-171.7-1112.9I254 D263 L272 F290 Y291 G292 P298I254-R294 VanDerWaalsContact CG2-NH1 3.27Å; D263-R294 IonicContact OD1-CZ 3.49Å; D263-R294 IonicContact OD1-NE 2.82Å; D263-R294 IonicContact OD1-NH2 2.68Å; D263-R294 PolarHBondContact OD1-NH2 3.48Å; D263-R294 WeakPolarHBondContact OD2-CB 3.38Å; D263-R294 IonicContact OD2-CZ 3.57Å; D263-R294 IonicContact OD2-NE 2.75Å; D263-R294 PolarHBondContact OD2-NE 3.06Å; D263-R294 IonicContact OD2-NH2 3.49Å; D263-R294 PolarHBondContact OD2-NH2 2.97Å; L272-R294 HydrophobicContact CD1-CB 4.13Å; L272-R294 VanDerWaalsContact CD2-CZ 3.49Å; F290-R294 WeakPolarHBondContact O-CG 2.99Å; Y291-R294 WeakPolarHBondContact O-CB 3.15Å; Y291-R294 PolarHBondContact O-N 3.43Å; G292-R294 VanDerWaalsContact C-N 3.27Å; G292-R294 PolarHBondContact O-N 3.28Å; R294-P298 WeakPolarHBondContact O-CD 3.39Å
295T98.8Very high98.3Very high0 Ų047.6 Ų47.60%024%0.239CC..Hα-helixtrans-80-16.9177.875.50000113.5L269 L272 Y291 G292 I293 E297 P298 Y299 Q313L269-T295 HydrophobicContact CD1-CG2 3.76Å; L272-T295 HydrophobicContact CB-CG2 3.7Å; L272-T295 HydrophobicContact CD1-CG2 4.48Å; Y291-T295 WeakPolarHBondContact O-CG2 3.45Å; Y291-T295 PolarHBondContact O-N 2.94Å; G292-T295 PolarHBondContact O-N 3.08Å; G292-T295 PolarHBondContact O-OG1 2.94Å; I293-T295 VanDerWaalsContact C-N 3.26Å; I293-T295 PolarHBondContact O-N 3.03Å; T295-E297 PolarHBondContact O-N 3.46Å; T295-P298 WeakPolarHBondContact O-CD 3.13Å; T295-Y299 HydrophobicContact CG2-CE2 4.43Å; T295-Y299 VanDerWaalsContact O-CB 3.27Å; T295-Y299 WeakPolarHBondContact O-CB 3.46Å; T295-Y299 WeakPolarHBondContact O-CD2 3.32Å; T295-Y299 PolarHBondContact O-N 2.76Å; T295-Q313 PolarHBondContact OG1-NE2 3.47Å
296M98.5Very high98.3Very high34 Ų3445.7 Ų45.717%0.16723%0.231CC..Hα-helixtrans-58.8-45.6-170.1-68.2-68.6-70.100114.1G292 I293 R300 V314 V317 N333G292-M296 WeakPolarHBondContact O-CG 3.45Å; I293-M296 WeakPolarHBondContact O-CB 3.24Å; I293-M296 WeakPolarHBondContact O-CG 3.3Å; I293-M296 PolarHBondContact O-N 3.07Å; M296-R300 PolarHBondContact O-N 3.49Å; M296-V314 HydrophobicContact CE-CB 4.27Å; M296-V314 HydrophobicContact CE-CG1 4.08Å; M296-V314 HydrophobicContact CE-CG2 3.78Å; M296-V314 HydrophobicContact SD-CG2 4.16Å; M296-V317 HydrophobicContact CG-CG1 4.42Å; M296-V317 HydrophobicContact CG-CG2 4.37Å; M296-V317 HydrophobicContact SD-CB 3.95Å; M296-V317 HydrophobicContact SD-CG1 4.1Å; M296-V317 HydrophobicContact SD-CG2 3.76Å; M296-N333 VanDerWaalsContact CE-OD1 3.29Å; M296-N333 WeakPolarHBondContact CE-OD1 3.49Å
297E98.5Very high98.3Very high95 Ų9540 Ų4044%0.44421%0.205SC..Hα-helixtrans-75-47.4-179.4-179.561-165.600112.2T295 Y299 R300 I301T295-E297 PolarHBondContact O-N 3.46Å; E297-Y299 VanDerWaalsContact C-N 3.26Å; E297-Y299 PolarHBondContact O-N 3.01Å; E297-R300 VanDerWaalsContact CD-NE 3.3Å; E297-R300 VanDerWaalsContact O-CB 3.32Å; E297-R300 WeakPolarHBondContact O-CB 3.35Å; E297-R300 PolarHBondContact O-N 3.19Å; E297-R300 IonicContact OE1-CZ 2.76Å; E297-R300 VanDerWaalsContact OE1-CZ 3.24Å; E297-R300 IonicContact OE1-NE 3.64Å; E297-R300 PolarHBondContact OE1-NE 2.91Å; E297-R300 IonicContact OE1-NH2 2.73Å; E297-R300 PolarHBondContact OE1-NH2 2.94Å; E297-R300 WeakPolarHBondContact OE2-CD 3.27Å; E297-R300 IonicContact OE2-CZ 3.8Å; E297-R300 IonicContact OE2-NE 3.99Å; E297-R300 PolarHBondContact OE2-NE 3.25Å; E297-R300 IonicContact OE2-NH2 3.21Å; E297-I301 HydrophobicContact CG-CD1 4.35Å; E297-I301 WeakPolarHBondContact O-CG1 3.26Å; E297-I301 PolarHBondContact O-N 3.36Å; E297-I301 VanDerWaalsContact O-N 3.13Å
298P98.8Very high98.4Very high8 Ų836.5 Ų36.55%0.05219%0.189CC..Hα-helixtrans-53.7-41.1169.8-27.334.1000113.3D263 L269 R294 T295 R300 I301 F302D263-P298 HydrophobicContact CB-CG 4.33Å; D263-P298 WeakPolarHBondContact O-CG 3.22Å; L269-P298 HydrophobicContact CD1-CB 3.72Å; L269-P298 HydrophobicContact CD1-CG 4.13Å; L269-P298 HydrophobicContact CD2-CB 3.59Å; L269-P298 HydrophobicContact CG-CB 4.26Å; R294-P298 WeakPolarHBondContact O-CD 3.39Å; T295-P298 WeakPolarHBondContact O-CD 3.13Å; P298-R300 VanDerWaalsContact C-N 3.33Å; P298-R300 PolarHBondContact O-N 3.36Å; P298-I301 PolarHBondContact O-N 3.22Å; P298-I301 VanDerWaalsContact O-N 3.11Å; P298-F302 HydrophobicContact CB-CD2 4.36Å; P298-F302 HydrophobicContact CB-CE2 4.31Å; P298-F302 VanDerWaalsContact O-CD2 3.24Å; P298-F302 WeakPolarHBondContact O-CD2 3.44Å; P298-F302 PolarHBondContact O-N 2.84Å
299Y98.7Very high98.4Very high9 Ų938.5 Ų38.54%0.03520%0.201CC..Hα-helixtrans-65.7-34.8176.6-89.9-121.9000112.3L269 D273 T295 E297 I301 F303 V309 Q313L269-Y299 HydrophobicContact CD1-CD2 3.92Å; L269-Y299 HydrophobicContact CD1-CE2 3.8Å; L269-Y299 HydrophobicContact CD2-CD2 4.02Å; L269-Y299 HydrophobicContact CD2-CE2 4.03Å; L269-Y299 HydrophobicContact CG-CD2 4.24Å; L269-Y299 HydrophobicContact CG-CE2 3.89Å; D273-Y299 PolarHBondContact OD1-OH 3.33Å; D273-Y299 VanDerWaalsContact OD1-OH 3.1Å; T295-Y299 HydrophobicContact CG2-CE2 4.43Å; T295-Y299 VanDerWaalsContact O-CB 3.27Å; T295-Y299 WeakPolarHBondContact O-CB 3.46Å; T295-Y299 WeakPolarHBondContact O-CD2 3.32Å; T295-Y299 PolarHBondContact O-N 2.76Å; E297-Y299 VanDerWaalsContact C-N 3.26Å; E297-Y299 PolarHBondContact O-N 3.01Å; Y299-I301 VanDerWaalsContact C-N 3.26Å; Y299-I301 PolarHBondContact O-N 3.34Å; Y299-F303 AromaticContact CD1-CD2 3.75Å; Y299-F303 HydrophobicContact CD1-CD2 3.75Å; Y299-F303 AromaticContact CD1-CE2 3.61Å; Y299-F303 HydrophobicContact CD1-CE2 3.61Å; Y299-F303 HydrophobicContact CD1-CZ 4.44Å; Y299-F303 HydrophobicContact CD2-CE2 4.26Å; Y299-F303 HydrophobicContact CE1-CD2 4.32Å; Y299-F303 AromaticContact CE1-CE2 3.73Å; Y299-F303 HydrophobicContact CE1-CE2 3.73Å; Y299-F303 HydrophobicContact CE1-CZ 4.21Å; Y299-F303 HydrophobicContact CE2-CE2 4.37Å; Y299-F303 AromaticContact CG-CD2 3.94Å; Y299-F303 HydrophobicContact CG-CD2 3.94Å; Y299-F303 AromaticContact CG-CE2 3.91Å; Y299-F303 HydrophobicContact CG-CE2 3.91Å; Y299-F303 WeakPolarHBondContact O-CB 3.34Å; Y299-F303 WeakPolarHBondContact O-CD2 3.46Å; Y299-F303 PolarHBondContact O-N 2.72Å; Y299-V309 HydrophobicContact CE1-CG1 3.99Å; Y299-Q313 HydrophobicContact CD1-CB 3.71Å; Y299-Q313 HydrophobicContact CD1-CG 3.67Å; Y299-Q313 HydrophobicContact CE1-CB 3.68Å; Y299-Q313 HydrophobicContact CE1-CG 3.65Å; Y299-Q313 HydrophobicContact CG-CG 4.17Å
300R98.6Very high98.4Very high124 Ų12439.6 Ų39.647%0.46820%0.204SC..Hα-helixtrans-62.2-34.8172.5-171.8-168.372.271.51.4111.9M296 E297 P298M296-R300 PolarHBondContact O-N 3.49Å; E297-R300 VanDerWaalsContact CD-NE 3.3Å; E297-R300 VanDerWaalsContact O-CB 3.32Å; E297-R300 WeakPolarHBondContact O-CB 3.35Å; E297-R300 PolarHBondContact O-N 3.19Å; E297-R300 IonicContact OE1-CZ 2.76Å; E297-R300 VanDerWaalsContact OE1-CZ 3.24Å; E297-R300 IonicContact OE1-NE 3.64Å; E297-R300 PolarHBondContact OE1-NE 2.91Å; E297-R300 IonicContact OE1-NH2 2.73Å; E297-R300 PolarHBondContact OE1-NH2 2.94Å; E297-R300 WeakPolarHBondContact OE2-CD 3.27Å; E297-R300 IonicContact OE2-CZ 3.8Å; E297-R300 IonicContact OE2-NE 3.99Å; E297-R300 PolarHBondContact OE2-NE 3.25Å; E297-R300 IonicContact OE2-NH2 3.21Å; P298-R300 VanDerWaalsContact C-N 3.33Å; P298-R300 PolarHBondContact O-N 3.36Å
301I98.5Very high98.4Very high43 Ų4334.1 Ų34.122%0.22118%0.18CC..Hα-helixtrans-77.8-48.3-178.2-64.4166.6000111.3K212 I264 E297 P298 Y299K212-I301 WeakPolarHBondContact CE-O 3.38Å; I264-I301 HydrophobicContact CD1-CD1 3.62Å; E297-I301 HydrophobicContact CG-CD1 4.35Å; E297-I301 WeakPolarHBondContact O-CG1 3.26Å; E297-I301 PolarHBondContact O-N 3.36Å; E297-I301 VanDerWaalsContact O-N 3.13Å; P298-I301 PolarHBondContact O-N 3.22Å; P298-I301 VanDerWaalsContact O-N 3.11Å; Y299-I301 VanDerWaalsContact C-N 3.26Å; Y299-I301 PolarHBondContact O-N 3.34Å
302F98.6Very high98.4Very high0 Ų033.9 Ų33.90%018%0.18CC..Hα-helixtrans-87.8-19-171.5-60.9-50.5000114.9M183 L184 K212 M216 I264 I266 L269 P298 P304M183-F302 WeakPolarHBondContact CE-O 3.28Å; L184-F302 HydrophobicContact CD2-CB 3.72Å; L184-F302 HydrophobicContact CD2-CD2 3.8Å; L184-F302 HydrophobicContact CD2-CG 4.01Å; K212-F302 HydrophobicContact CB-CD1 4.41Å; K212-F302 HydrophobicContact CB-CE1 4.17Å; K212-F302 HydrophobicContact CD-CD1 3.97Å; K212-F302 HydrophobicContact CD-CE1 4.41Å; M216-F302 HydrophobicContact CB-CZ 4.46Å; M216-F302 HydrophobicContact CE-CD1 3.47Å; M216-F302 VanDerWaalsContact CE-CD1 3.47Å; M216-F302 HydrophobicContact CE-CE1 3.79Å; M216-F302 HydrophobicContact CE-CG 4.17Å; M216-F302 HydrophobicContact CG-CD1 4.07Å; M216-F302 HydrophobicContact CG-CE1 3.37Å; M216-F302 HydrophobicContact CG-CZ 3.66Å; M216-F302 HydrophobicContact SD-CE1 4.46Å; I264-F302 HydrophobicContact CD1-CZ 4.3Å; I264-F302 HydrophobicContact CG1-CE2 3.72Å; I264-F302 HydrophobicContact CG1-CZ 3.52Å; I264-F302 WeakPolarHBondContact O-CE2 3.19Å; I264-F302 VanDerWaalsContact O-CZ 3.31Å; I264-F302 WeakPolarHBondContact O-CZ 3.2Å; I266-F302 HydrophobicContact CG2-CD2 4.48Å; I266-F302 HydrophobicContact CG2-CE2 4.09Å; I266-F302 HydrophobicContact CG2-CZ 4.24Å; L269-F302 HydrophobicContact CD2-CD2 3.87Å; L269-F302 HydrophobicContact CD2-CE2 4.19Å; P298-F302 HydrophobicContact CB-CD2 4.36Å; P298-F302 HydrophobicContact CB-CE2 4.31Å; P298-F302 VanDerWaalsContact O-CD2 3.24Å; P298-F302 WeakPolarHBondContact O-CD2 3.44Å; P298-F302 PolarHBondContact O-N 2.84Å; F302-P304 WeakPolarHBondContact O-CD 3.47Å
303F98.4Very high98.4Very high2 Ų234 Ų341%0.00918%0.181CC..SBendtrans-11473.3174.2-59.6-92.1000109.8M183 L184 Y299 H307 V309 R310M183-F303 HydrophobicContact CB-CD1 3.69Å; M183-F303 HydrophobicContact CB-CE1 3.46Å; M183-F303 VanDerWaalsContact CB-CE1 3.46Å; M183-F303 HydrophobicContact CB-CG 4.42Å; M183-F303 HydrophobicContact CB-CZ 3.99Å; M183-F303 HydrophobicContact CG-CD1 3.59Å; M183-F303 HydrophobicContact CG-CE1 3.62Å; L184-F303 HydrophobicContact CD1-CE2 4.47Å; L184-F303 HydrophobicContact CD1-CZ 4.48Å; L184-F303 HydrophobicContact CD2-CE2 3.78Å; L184-F303 HydrophobicContact CD2-CZ 4.14Å; L184-F303 HydrophobicContact CG-CE2 4.07Å; L184-F303 HydrophobicContact CG-CZ 3.97Å; Y299-F303 AromaticContact CD1-CD2 3.75Å; Y299-F303 HydrophobicContact CD1-CD2 3.75Å; Y299-F303 AromaticContact CD1-CE2 3.61Å; Y299-F303 HydrophobicContact CD1-CE2 3.61Å; Y299-F303 HydrophobicContact CD1-CZ 4.44Å; Y299-F303 HydrophobicContact CD2-CE2 4.26Å; Y299-F303 HydrophobicContact CE1-CD2 4.32Å; Y299-F303 AromaticContact CE1-CE2 3.73Å; Y299-F303 HydrophobicContact CE1-CE2 3.73Å; Y299-F303 HydrophobicContact CE1-CZ 4.21Å; Y299-F303 HydrophobicContact CE2-CE2 4.37Å; Y299-F303 AromaticContact CG-CD2 3.94Å; Y299-F303 HydrophobicContact CG-CD2 3.94Å; Y299-F303 AromaticContact CG-CE2 3.91Å; Y299-F303 HydrophobicContact CG-CE2 3.91Å; Y299-F303 WeakPolarHBondContact O-CB 3.34Å; Y299-F303 WeakPolarHBondContact O-CD2 3.46Å; Y299-F303 PolarHBondContact O-N 2.72Å; F303-H307 HydrophobicContact CB-CB 3.93Å; F303-H307 HydrophobicContact CD1-CB 4.2Å; F303-H307 AromaticContact CD1-CE1 3.64Å; F303-H307 AromaticContact CD1-CG 3.61Å; F303-H307 AromaticContact CD1-ND1 3.32Å; F303-H307 VanDerWaalsContact CD1-ND1 3.32Å; F303-H307 WeakPolarHBondContact CD1-ND1 3.41Å; F303-H307 AromaticContact CE1-CE1 3.78Å; F303-H307 AromaticContact CE1-ND1 3.82Å; F303-V309 HydrophobicContact CD1-CB 4.35Å; F303-V309 HydrophobicContact CE1-CB 3.88Å; F303-V309 HydrophobicContact CE1-CG1 3.85Å; F303-V309 HydrophobicContact CZ-CB 4.41Å; F303-V309 HydrophobicContact CZ-CG1 3.88Å; F303-R310 HydrophobicContact CB-CB 3.75Å; F303-R310 HydrophobicContact CB-CG 4.39Å; F303-R310 HydrophobicContact CG-CB 4.24Å; F303-R310 WeakPolarHBondContact O-CD 3.33Å
304P96Very high98.4Very high56 Ų5630.4 Ų30.436%0.36416%0.162SC..  trans-65.7160.2-178.331-37000111.4F302F302-P304 WeakPolarHBondContact O-CD 3.47Å
305G96.9Very high98.4Very high59 Ų5928.4 Ų28.461%0.60816%0.156SC*.SBendtrans60.7-137.5179.300000112.9
306S98.4Very high98.4Very high29 Ų2929.7 Ų29.720%0.20316%0.161CC..SBendtrans-104.695.6-179.6-59.70000110.4V167 T344V167-S306 WeakPolarHBondContact CG1-O 3.25Å; S306-T344 VanDerWaalsContact C-CG2 3.48Å; S306-T344 WeakPolarHBondContact O-CG2 3.26Å
307H98.8Very high98.5Very high33 Ų3328 Ų2815%0.15315%0.153CC..  trans-114133.4177-165.6-81.8000111.6F303 V309 R310 G311 I340F303-H307 HydrophobicContact CB-CB 3.93Å; F303-H307 HydrophobicContact CD1-CB 4.2Å; F303-H307 AromaticContact CD1-CE1 3.64Å; F303-H307 AromaticContact CD1-CG 3.61Å; F303-H307 AromaticContact CD1-ND1 3.32Å; F303-H307 VanDerWaalsContact CD1-ND1 3.32Å; F303-H307 WeakPolarHBondContact CD1-ND1 3.41Å; F303-H307 AromaticContact CE1-CE1 3.78Å; F303-H307 AromaticContact CE1-ND1 3.82Å; H307-V309 WeakPolarHBondContact ND1-CB 3.27Å; H307-V309 PolarHBondContact ND1-N 2.9Å; H307-V309 PolarHBondContact O-N 3.37Å; H307-R310 HydrophobicContact CB-CB 4.45Å; H307-R310 PolarHBondContact O-N 3.18Å; H307-G311 PolarHBondContact O-N 2.99Å; H307-I340 WeakPolarHBondContact O-CG2 3.37Å
308P98.6Very high98.5Very high6 Ų623.5 Ų23.54%0.03913%0.132CC..Hα-helixtrans-62.7-41.2-173.622.9-34000113.4M131 S154 V156 R310 G311 V312 T344M131-P308 HydrophobicContact CE-CB 3.79Å; S154-P308 VanDerWaalsContact OG-CD 3.25Å; S154-P308 WeakPolarHBondContact OG-CD 3.23Å; S154-P308 WeakPolarHBondContact OG-CG 3.42Å; V156-P308 HydrophobicContact CG1-CB 3.45Å; V156-P308 VanDerWaalsContact CG1-CB 3.45Å; V156-P308 HydrophobicContact CG1-CG 3.91Å; P308-R310 VanDerWaalsContact C-N 3.3Å; P308-R310 PolarHBondContact O-N 3.43Å; P308-G311 PolarHBondContact O-N 3.23Å; P308-G311 VanDerWaalsContact O-N 3.12Å; P308-V312 PolarHBondContact O-N 3.36Å; P308-T344 HydrophobicContact CB-CG2 4.47Å
309V98.6Very high98.5Very high42 Ų4227.8 Ų27.826%0.25515%0.15SC..Hα-helixtrans-58.3-41.3177.5176.30000111.7M131 Y299 F303 H307 Q313M131-V309 HydrophobicContact CG-CG2 4.3Å; M131-V309 HydrophobicContact SD-CG2 4.03Å; Y299-V309 HydrophobicContact CE1-CG1 3.99Å; F303-V309 HydrophobicContact CD1-CB 4.35Å; F303-V309 HydrophobicContact CE1-CB 3.88Å; F303-V309 HydrophobicContact CE1-CG1 3.85Å; F303-V309 HydrophobicContact CZ-CB 4.41Å; F303-V309 HydrophobicContact CZ-CG1 3.88Å; H307-V309 WeakPolarHBondContact ND1-CB 3.27Å; H307-V309 PolarHBondContact ND1-N 2.9Å; H307-V309 PolarHBondContact O-N 3.37Å; V309-Q313 WeakPolarHBondContact O-CB 3.49Å; V309-Q313 PolarHBondContact O-N 2.97Å
310R98.8Very high98.5Very high31 Ų3127.8 Ų27.812%0.11715%0.15CC..Hα-helixtrans-67.3-43.1175.1-176.6-179.9177.2-119.7-7111.9F303 H307 P308 V312 Q313 V314 I340F303-R310 HydrophobicContact CB-CB 3.75Å; F303-R310 HydrophobicContact CB-CG 4.39Å; F303-R310 HydrophobicContact CG-CB 4.24Å; F303-R310 WeakPolarHBondContact O-CD 3.33Å; H307-R310 HydrophobicContact CB-CB 4.45Å; H307-R310 PolarHBondContact O-N 3.18Å; P308-R310 VanDerWaalsContact C-N 3.3Å; P308-R310 PolarHBondContact O-N 3.43Å; R310-V312 VanDerWaalsContact C-N 3.33Å; R310-V312 PolarHBondContact O-N 2.84Å; R310-Q313 PolarHBondContact O-N 3.46Å; R310-V314 HydrophobicContact CG-CG2 4.27Å; R310-V314 WeakPolarHBondContact O-CB 3.48Å; R310-V314 VanDerWaalsContact O-CG2 3.23Å; R310-V314 WeakPolarHBondContact O-CG2 3.23Å; R310-V314 PolarHBondContact O-N 3.35Å; R310-I340 HydrophobicContact CG-CD1 4.13Å
311G98.8Very high98.5Very high0 Ų022.3 Ų22.30%013%0.13CC..Hα-helixtrans-55.4-49176.300000111.9H307 P308 V314 M315 M341H307-G311 PolarHBondContact O-N 2.99Å; P308-G311 PolarHBondContact O-N 3.23Å; P308-G311 VanDerWaalsContact O-N 3.12Å; G311-V314 PolarHBondContact O-N 3.39Å; G311-M315 WeakPolarHBondContact O-CB 3.37Å; G311-M315 PolarHBondContact O-N 3.49Å; G311-M341 VanDerWaalsContact C-SD 3.53Å
312V98.8Very high98.5Very high6 Ų620.5 Ų20.54%0.03612%0.121CC..Hα-helixtrans-65.5-40.7177.9173.90000111.9M131 P308 R310 V314 M315 K316 M341 L351M131-V312 HydrophobicContact CE-CB 4.4Å; M131-V312 HydrophobicContact CE-CG2 3.54Å; M131-V312 HydrophobicContact CG-CB 4.03Å; M131-V312 HydrophobicContact CG-CG1 4.07Å; M131-V312 HydrophobicContact CG-CG2 4.09Å; P308-V312 PolarHBondContact O-N 3.36Å; R310-V312 VanDerWaalsContact C-N 3.33Å; R310-V312 PolarHBondContact O-N 2.84Å; V312-V314 PolarHBondContact O-N 2.97Å; V312-M315 WeakPolarHBondContact O-CB 3.45Å; V312-M315 PolarHBondContact O-N 3.2Å; V312-K316 HydrophobicContact CG1-CD 4.41Å; V312-K316 HydrophobicContact CG1-CG 4.44Å; V312-K316 WeakPolarHBondContact O-CG 3.45Å; V312-K316 PolarHBondContact O-N 3.04Å; V312-M341 HydrophobicContact CG2-CE 4.23Å; V312-L351 HydrophobicContact CG2-CD2 3.94Å
313Q98.8Very high98.3Very high4 Ų425.4 Ų25.42%0.01914%0.143CC..Hα-helixtrans-59.9-47.5176.6-175.662.59.900112.1M276 T295 Y299 V309 R310 M315 K316 V317M276-Q313 VanDerWaalsContact CE-NE2 3.27Å; M276-Q313 PolarHBondContact SD-NE2 3.26Å; T295-Q313 PolarHBondContact OG1-NE2 3.47Å; Y299-Q313 HydrophobicContact CD1-CB 3.71Å; Y299-Q313 HydrophobicContact CD1-CG 3.67Å; Y299-Q313 HydrophobicContact CE1-CB 3.68Å; Y299-Q313 HydrophobicContact CE1-CG 3.65Å; Y299-Q313 HydrophobicContact CG-CG 4.17Å; V309-Q313 WeakPolarHBondContact O-CB 3.49Å; V309-Q313 PolarHBondContact O-N 2.97Å; R310-Q313 PolarHBondContact O-N 3.46Å; Q313-M315 VanDerWaalsContact C-N 3.31Å; Q313-M315 PolarHBondContact O-N 3.04Å; Q313-K316 PolarHBondContact O-N 2.89Å; Q313-V317 PolarHBondContact O-N 2.97Å; Q313-V317 VanDerWaalsContact O-N 3.09Å
314V98.9Very high98.2Very high2 Ų228.7 Ų28.71%0.01216%0.159CC..Hα-helixtrans-63.3-39.1177.3174.80000110.7M296 R310 G311 V312 V317 G318 N333 L336 A337M296-V314 HydrophobicContact CE-CB 4.27Å; M296-V314 HydrophobicContact CE-CG1 4.08Å; M296-V314 HydrophobicContact CE-CG2 3.78Å; M296-V314 HydrophobicContact SD-CG2 4.16Å; R310-V314 HydrophobicContact CG-CG2 4.27Å; R310-V314 WeakPolarHBondContact O-CB 3.48Å; R310-V314 VanDerWaalsContact O-CG2 3.23Å; R310-V314 WeakPolarHBondContact O-CG2 3.23Å; R310-V314 PolarHBondContact O-N 3.35Å; G311-V314 PolarHBondContact O-N 3.39Å; V312-V314 PolarHBondContact O-N 2.97Å; V314-V317 PolarHBondContact O-N 3.44Å; V314-G318 PolarHBondContact O-N 3.03Å; V314-N333 HydrophobicContact CG1-CB 4.12Å; V314-N333 WeakPolarHBondContact CG1-O 3.37Å; V314-L336 HydrophobicContact CG1-CB 4.01Å; V314-L336 HydrophobicContact CG1-CD2 3.99Å; V314-L336 HydrophobicContact CG1-CG 3.97Å; V314-L336 HydrophobicContact CG2-CD2 4.23Å; V314-A337 HydrophobicContact CB-CB 4.22Å; V314-A337 HydrophobicContact CG1-CB 3.91Å
315M98.8Very high98.3Very high14 Ų1427.8 Ų27.87%0.06916%0.16CC..Hα-helixtrans-62-46175177.9176.2179.800111.8G311 V312 Q313 V317 G318 K319 A337 M341 L351 D354 L355 L358G311-M315 WeakPolarHBondContact O-CB 3.37Å; G311-M315 PolarHBondContact O-N 3.49Å; V312-M315 WeakPolarHBondContact O-CB 3.45Å; V312-M315 PolarHBondContact O-N 3.2Å; Q313-M315 VanDerWaalsContact C-N 3.31Å; Q313-M315 PolarHBondContact O-N 3.04Å; M315-V317 PolarHBondContact O-N 3.38Å; M315-G318 PolarHBondContact O-N 3.24Å; M315-K319 WeakPolarHBondContact O-CB 3.45Å; M315-K319 PolarHBondContact O-N 3.32Å; M315-A337 HydrophobicContact CB-CB 3.86Å; M315-M341 HydrophobicContact CB-SD 4.12Å; M315-M341 HydrophobicContact SD-CE 3.83Å; M315-M341 HydrophobicContact SD-SD 4.02Å; M315-L351 HydrophobicContact CE-CD1 3.64Å; M315-L351 HydrophobicContact CE-CG 4.11Å; M315-L351 HydrophobicContact SD-CD1 3.96Å; M315-L351 HydrophobicContact SD-CD2 4.27Å; M315-L351 HydrophobicContact SD-CG 3.91Å; M315-D354 HydrophobicContact CE-CB 4.19Å; M315-L355 HydrophobicContact CE-CB 3.89Å; M315-L355 HydrophobicContact CE-CD1 4.42Å; M315-L355 HydrophobicContact CG-CD1 4.03Å; M315-L355 HydrophobicContact SD-CB 4.12Å; M315-L355 HydrophobicContact SD-CD1 4.24Å; M315-L358 HydrophobicContact CE-CD1 3.8Å
316K98.8Very high98.3Very high26 Ų2628 Ų2811%0.11315%0.146CC..Hα-helixtrans-57.2-48.3176.8-73.4175.9-179.1177.40110.8E130 M276 D277 I280 V312 Q313 K319 L320E130-K316 PolarHBondContact O-NZ 2.89Å; M276-K316 HydrophobicContact CE-CD 3.7Å; D277-K316 IonicContact OD1-NZ 2.68Å; D277-K316 PolarHBondContact OD1-NZ 3.39Å; D277-K316 IonicContact OD2-NZ 2.97Å; I280-K316 HydrophobicContact CD1-CB 4.45Å; I280-K316 HydrophobicContact CD1-CD 4.22Å; I280-K316 HydrophobicContact CD1-CG 4.49Å; V312-K316 HydrophobicContact CG1-CD 4.41Å; V312-K316 HydrophobicContact CG1-CG 4.44Å; V312-K316 WeakPolarHBondContact O-CG 3.45Å; V312-K316 PolarHBondContact O-N 3.04Å; Q313-K316 PolarHBondContact O-N 2.89Å; K316-K319 PolarHBondContact O-N 3.3Å; K316-L320 WeakPolarHBondContact O-CG 3.39Å; K316-L320 PolarHBondContact O-N 3.39Å
317V98.8Very high98.3Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-62.8-45.2177.6173.50000111.6L289 I293 M296 Q313 V314 M315 K319 L320 Q321L289-V317 HydrophobicContact CD1-CG1 3.99Å; I293-V317 HydrophobicContact CG1-CG1 4.1Å; M296-V317 HydrophobicContact CG-CG1 4.42Å; M296-V317 HydrophobicContact CG-CG2 4.37Å; M296-V317 HydrophobicContact SD-CB 3.95Å; M296-V317 HydrophobicContact SD-CG1 4.1Å; M296-V317 HydrophobicContact SD-CG2 3.76Å; Q313-V317 PolarHBondContact O-N 2.97Å; Q313-V317 VanDerWaalsContact O-N 3.09Å; V314-V317 PolarHBondContact O-N 3.44Å; M315-V317 PolarHBondContact O-N 3.38Å; V317-K319 VanDerWaalsContact C-N 3.33Å; V317-K319 PolarHBondContact O-N 3.06Å; V317-L320 PolarHBondContact O-N 3.2Å; V317-Q321 WeakPolarHBondContact O-CG 3.36Å; V317-Q321 PolarHBondContact O-N 3.18Å
318G98.8Very high98.3Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-60.7-41.1176.800000112.8V314 M315 Q321 L322 A330V314-G318 PolarHBondContact O-N 3.03Å; M315-G318 PolarHBondContact O-N 3.24Å; G318-Q321 PolarHBondContact O-N 2.8Å; G318-L322 WeakPolarHBondContact O-CB 3.41Å; G318-L322 PolarHBondContact O-N 3.28Å; G318-A330 WeakPolarHBondContact O-CB 3.42Å
319K98.8Very high98.3Very high98 Ų9835.4 Ų35.443%0.42618%0.183SC..Hα-helixtrans-64.6-43175.5-175.5176.3-178.6176.60112.2M315 K316 V317 Q321 L322 H323 L358M315-K319 WeakPolarHBondContact O-CB 3.45Å; M315-K319 PolarHBondContact O-N 3.32Å; K316-K319 PolarHBondContact O-N 3.3Å; V317-K319 VanDerWaalsContact C-N 3.33Å; V317-K319 PolarHBondContact O-N 3.06Å; K319-Q321 VanDerWaalsContact C-N 3.34Å; K319-Q321 PolarHBondContact O-N 3.35Å; K319-L322 PolarHBondContact O-N 2.84Å; K319-H323 WeakPolarHBondContact CE-NE2 3.45Å; K319-H323 PolarHBondContact O-CD2 3.13Å; K319-H323 PolarHBondContact O-N 3.38Å; K319-H323 VanDerWaalsContact O-N 3.09Å; K319-L358 HydrophobicContact CB-CD1 4.12Å; K319-L358 HydrophobicContact CD-CD1 4.19Å; K319-L358 HydrophobicContact CD-CD2 4.46Å; K319-L358 HydrophobicContact CG-CD1 4.19Å; K319-L358 HydrophobicContact CG-CD2 4.17Å
320L98.7Very high98.3Very high9 Ų933.4 Ų33.45%0.04717%0.171CC..Hα-helixtrans-61.6-42.5175.5-73166.6000111.7I280 L285 A288 L289 K316 V317 H323 Q324I280-L320 HydrophobicContact CD1-CD1 4.29Å; I280-L320 HydrophobicContact CG1-CD1 4.35Å; I280-L320 HydrophobicContact CG1-CD2 4.42Å; L285-L320 HydrophobicContact CB-CD2 4.03Å; L285-L320 HydrophobicContact CD2-CD2 3.95Å; L285-L320 HydrophobicContact CG-CD2 4.5Å; A288-L320 HydrophobicContact CB-CD1 3.84Å; A288-L320 HydrophobicContact CB-CD2 4.07Å; L289-L320 HydrophobicContact CB-CB 4.19Å; L289-L320 HydrophobicContact CB-CD1 4.43Å; L289-L320 HydrophobicContact CD1-CB 3.94Å; K316-L320 WeakPolarHBondContact O-CG 3.39Å; K316-L320 PolarHBondContact O-N 3.39Å; V317-L320 PolarHBondContact O-N 3.2Å; L320-H323 PolarHBondContact O-N 2.89Å; L320-Q324 WeakPolarHBondContact O-CG 3.23Å; L320-Q324 PolarHBondContact O-N 2.96Å
321Q98.8Very high98.3Very high9 Ų932.6 Ų32.64%0.04217%0.169CC..Hα-helixtrans-63.7-41.4175.5-72.9173.2-26.100112.3L289 V317 G318 K319 Q324 G325 M326 Q329 A330 N333L289-Q321 HydrophobicContact CD1-CG 3.6Å; L289-Q321 HydrophobicContact CD2-CG 3.99Å; L289-Q321 HydrophobicContact CG-CG 4.47Å; V317-Q321 WeakPolarHBondContact O-CG 3.36Å; V317-Q321 PolarHBondContact O-N 3.18Å; G318-Q321 PolarHBondContact O-N 2.8Å; K319-Q321 VanDerWaalsContact C-N 3.34Å; K319-Q321 PolarHBondContact O-N 3.35Å; Q321-Q324 CarbonylContact O-C 3.59Å; Q321-Q324 PolarHBondContact O-N 3.33Å; Q321-G325 PolarHBondContact O-N 3.07Å; Q321-M326 HydrophobicContact CB-CB 4.06Å; Q321-M326 HydrophobicContact CG-CB 4.49Å; Q321-M326 HydrophobicContact CG-SD 4.33Å; Q321-M326 WeakPolarHBondContact O-CB 3.24Å; Q321-M326 PolarHBondContact O-N 3.07Å; Q321-Q329 VanDerWaalsContact OE1-C 3.22Å; Q321-Q329 PolarHBondContact OE1-O 2.9Å; Q321-A330 HydrophobicContact CB-CB 3.72Å; Q321-N333 PolarHBondContact NE2-ND2 3.38Å; Q321-N333 PolarHBondContact OE1-ND2 3Å
322L98.2Very high98.3Very high5 Ų540.3 Ų40.33%0.02620%0.203CC..Hα-helixtrans-59.2-49.3177.3177.157.3000110.9G318 K319 Q324 G325 F327 A330 L334 L358 E361 C362G318-L322 WeakPolarHBondContact O-CB 3.41Å; G318-L322 PolarHBondContact O-N 3.28Å; K319-L322 PolarHBondContact O-N 2.84Å; L322-Q324 PolarHBondContact O-N 3.46Å; L322-G325 PolarHBondContact O-N 3.2Å; L322-F327 HydrophobicContact CD1-CD1 3.75Å; L322-F327 HydrophobicContact CD1-CE1 3.96Å; L322-A330 HydrophobicContact CB-CB 3.98Å; L322-L334 HydrophobicContact CD2-CD1 4.43Å; L322-L358 HydrophobicContact CD2-CB 4.37Å; L322-L358 HydrophobicContact CD2-CD2 3.9Å; L322-E361 HydrophobicContact CD2-CB 4.37Å; L322-E361 HydrophobicContact CD2-CG 4.2Å; L322-C362 HydrophobicContact CD1-CB 3.77Å; L322-C362 HydrophobicContact CD2-CB 4.35Å
323H95.3Very high98.3Very high102 Ų10241 Ų4147%0.47221%0.206SC..Hα-helixtrans-65.2-21.7179.3-68.1-45.2000113.9K319 L320K319-H323 WeakPolarHBondContact CE-NE2 3.45Å; K319-H323 PolarHBondContact O-CD2 3.13Å; K319-H323 PolarHBondContact O-N 3.38Å; K319-H323 VanDerWaalsContact O-N 3.09Å; L320-H323 PolarHBondContact O-N 2.89Å
324Q96.5Very high98.3Very high71 Ų7140.8 Ų40.833%0.33221%0.205SC..THydrogen-bonded Turntrans-93.57175-67.1-179.143.500113.3L285 L320 Q321 L322 M326L285-Q324 PolarHBondContact O-NE2 3.11Å; L285-Q324 VanDerWaalsContact O-NE2 3.12Å; L320-Q324 WeakPolarHBondContact O-CG 3.23Å; L320-Q324 PolarHBondContact O-N 2.96Å; Q321-Q324 CarbonylContact O-C 3.59Å; Q321-Q324 PolarHBondContact O-N 3.33Å; L322-Q324 PolarHBondContact O-N 3.46Å; Q324-M326 VanDerWaalsContact C-N 3.27Å; Q324-M326 HydrophobicContact CB-CG 4.36Å; Q324-M326 PolarHBondContact O-N 3.5Å
325G96.9Very high98.3Very high37 Ų3747.4 Ų47.438%0.38123%0.23SC..THydrogen-bonded Turntrans74.113.4178.800000114.7Q321 L322 F327Q321-G325 PolarHBondContact O-N 3.07Å; L322-G325 PolarHBondContact O-N 3.2Å; G325-F327 WeakPolarHBondContact O-CD2 3.42Å; G325-F327 PolarHBondContact O-N 2.71Å
326M98.2Very high98.3Very high64 Ų6449.3 Ų49.332%0.31524%0.24SC..  trans-83.656.4177.8-58.118072.700110.9L289 Q321 Q324 Q329 A330L289-M326 HydrophobicContact CD2-SD 3.77Å; Q321-M326 HydrophobicContact CB-CB 4.06Å; Q321-M326 HydrophobicContact CG-CB 4.49Å; Q321-M326 HydrophobicContact CG-SD 4.33Å; Q321-M326 WeakPolarHBondContact O-CB 3.24Å; Q321-M326 PolarHBondContact O-N 3.07Å; Q324-M326 VanDerWaalsContact C-N 3.27Å; Q324-M326 HydrophobicContact CB-CG 4.36Å; Q324-M326 PolarHBondContact O-N 3.5Å; M326-Q329 HydrophobicContact CB-CB 4.41Å; M326-Q329 HydrophobicContact CE-CG 4.34Å; M326-Q329 PolarHBondContact O-N 3.04Å; M326-Q329 PolarHBondContact O-OE1 3.12Å; M326-A330 WeakPolarHBondContact O-CB 3.49Å; M326-A330 PolarHBondContact O-N 3.35Å
327F98.2Very high98.3Very high47 Ų4748 Ų4821%0.20624%0.235CC..Hα-helixtrans-58.1-44.4-165.6-48.8-63.3000114.9L322 G325 Q329 A330 M331 C362 H365 I366L322-F327 HydrophobicContact CD1-CD1 3.75Å; L322-F327 HydrophobicContact CD1-CE1 3.96Å; G325-F327 WeakPolarHBondContact O-CD2 3.42Å; G325-F327 PolarHBondContact O-N 2.71Å; F327-Q329 VanDerWaalsContact C-N 3.33Å; F327-Q329 PolarHBondContact O-N 3.12Å; F327-A330 PolarHBondContact O-N 3.22Å; F327-M331 WeakPolarHBondContact O-CB 3.14Å; F327-M331 PolarHBondContact O-N 3.14Å; F327-C362 PolarHBondContact O-SG 3.3Å; F327-C362 VanDerWaalsContact O-SG 3.34Å; F327-H365 HydrophobicContact CD1-CB 3.57Å; F327-H365 AromaticContact CD1-CG 3.97Å; F327-H365 HydrophobicContact CD2-CB 3.99Å; F327-H365 HydrophobicContact CE1-CB 3.55Å; F327-H365 AromaticContact CE1-CD2 3.66Å; F327-H365 AromaticContact CE1-CG 3.43Å; F327-H365 VanDerWaalsContact CE1-CG 3.43Å; F327-H365 AromaticContact CE1-ND1 3.92Å; F327-H365 HydrophobicContact CE2-CB 3.97Å; F327-H365 HydrophobicContact CG-CB 3.8Å; F327-H365 HydrophobicContact CZ-CB 3.75Å; F327-H365 AromaticContact CZ-CG 3.58Å; F327-H365 AromaticContact CZ-ND1 3.62Å; F327-I366 HydrophobicContact CB-CD1 4.29Å; F327-I366 HydrophobicContact CB-CG1 3.67Å
328P98.1Very high98.3Very high88 Ų8851 Ų5157%0.57125%0.248SC*.Hα-helixtrans-61.7-39.3178.3-24.435.7000113.2K332P328-K332 PolarHBondContact O-N 2.85Å
329Q98.4Very high98.3Very high88 Ų8854.6 Ų54.641%0.41127%0.267SS..Hα-helixtrans-70.7-44.4177.5-63.877.88.600110.9Q321 M326 F327 M331 K332 N333Q321-Q329 VanDerWaalsContact OE1-C 3.22Å; Q321-Q329 PolarHBondContact OE1-O 2.9Å; M326-Q329 HydrophobicContact CB-CB 4.41Å; M326-Q329 HydrophobicContact CE-CG 4.34Å; M326-Q329 PolarHBondContact O-N 3.04Å; M326-Q329 PolarHBondContact O-OE1 3.12Å; F327-Q329 VanDerWaalsContact C-N 3.33Å; F327-Q329 PolarHBondContact O-N 3.12Å; Q329-M331 PolarHBondContact O-N 3.03Å; Q329-K332 PolarHBondContact O-N 3.43Å; Q329-N333 PolarHBondContact O-N 2.98Å; Q329-N333 VanDerWaalsContact O-N 3.1Å
330A98.6Very high98.3Very high0 Ų050.1 Ų50.10%025%0.248CC..Hα-helixtrans-57-50.6176.400000111.1G318 Q321 L322 M326 F327 K332 N333 L334G318-A330 WeakPolarHBondContact O-CB 3.42Å; Q321-A330 HydrophobicContact CB-CB 3.72Å; L322-A330 HydrophobicContact CB-CB 3.98Å; M326-A330 WeakPolarHBondContact O-CB 3.49Å; M326-A330 PolarHBondContact O-N 3.35Å; F327-A330 PolarHBondContact O-N 3.22Å; A330-K332 VanDerWaalsContact C-N 3.32Å; A330-K332 PolarHBondContact O-N 3.06Å; A330-N333 PolarHBondContact O-N 2.65Å; A330-N333 VanDerWaalsContact O-N 3.14Å; A330-L334 WeakPolarHBondContact O-CB 3.31Å; A330-L334 VanDerWaalsContact O-CG 3.26Å; A330-L334 WeakPolarHBondContact O-CG 3.21Å; A330-L334 PolarHBondContact O-N 3.14Å
331M98.6Very high98.3Very high14 Ų1449.7 Ų49.77%0.06925%0.245CC..Hα-helixtrans-58.5-42.5179.2-178.856.169.400112.2F327 Q329 N333 R335 L359 C362 D363 I366F327-M331 WeakPolarHBondContact O-CB 3.14Å; F327-M331 PolarHBondContact O-N 3.14Å; Q329-M331 PolarHBondContact O-N 3.03Å; M331-N333 PolarHBondContact O-N 2.57Å; M331-R335 WeakPolarHBondContact O-CB 3.25Å; M331-R335 VanDerWaalsContact O-CG 3.27Å; M331-R335 WeakPolarHBondContact O-CG 3.29Å; M331-R335 PolarHBondContact O-N 3.27Å; M331-R335 HydrophobicContact SD-CG 3.92Å; M331-R335 PolarHBondContact SD-NE 3.33Å; M331-L359 HydrophobicContact SD-CD2 3.91Å; M331-C362 HydrophobicContact CE-CB 3.74Å; M331-D363 VanDerWaalsContact CE-CA 3.5Å; M331-D363 HydrophobicContact CE-CB 3.6Å; M331-D363 VanDerWaalsContact CE-N 3.25Å; M331-I366 HydrophobicContact CB-CD1 3.56Å; M331-I366 HydrophobicContact CE-CD1 4.04Å; M331-I366 HydrophobicContact CG-CD1 3.9Å
332K98.7Very high98.3Very high162 Ų16256 Ų5670%0.70427%0.269SS*.Hα-helixtrans-59.1-47.2176.4-178.1-177.3176.4-176.30111.3P328 Q329 A330 L336P328-K332 PolarHBondContact O-N 2.85Å; Q329-K332 PolarHBondContact O-N 3.43Å; A330-K332 VanDerWaalsContact C-N 3.32Å; A330-K332 PolarHBondContact O-N 3.06Å; K332-L336 PolarHBondContact O-N 3.27Å; K332-L336 VanDerWaalsContact O-N 3.16Å
333N98.8Very high98.3Very high21 Ų2157.8 Ų57.811%0.11228%0.28CS..Hα-helixtrans-72.7-42.6-179-77-31.7000112.2M296 V314 Q321 Q329 A330 M331 R335 L336 A337M296-N333 VanDerWaalsContact CE-OD1 3.29Å; M296-N333 WeakPolarHBondContact CE-OD1 3.49Å; V314-N333 HydrophobicContact CG1-CB 4.12Å; V314-N333 WeakPolarHBondContact CG1-O 3.37Å; Q321-N333 PolarHBondContact NE2-ND2 3.38Å; Q321-N333 PolarHBondContact OE1-ND2 3Å; Q329-N333 PolarHBondContact O-N 2.98Å; Q329-N333 VanDerWaalsContact O-N 3.1Å; A330-N333 PolarHBondContact O-N 2.65Å; A330-N333 VanDerWaalsContact O-N 3.14Å; M331-N333 PolarHBondContact O-N 2.57Å; N333-R335 VanDerWaalsContact C-N 3.31Å; N333-R335 PolarHBondContact O-N 2.81Å; N333-L336 CarbonylContact O-C 3.4Å; N333-L336 WeakPolarHBondContact O-CB 3.34Å; N333-L336 PolarHBondContact O-N 3.25Å; N333-L336 VanDerWaalsContact O-N 3.13Å; N333-A337 PolarHBondContact O-N 2.87Å
334L98.9Very high98.5Very high0 Ų053 Ų530%026%0.257CS..Hα-helixtrans-61.9-37.7177.2-67.4172000112L322 A330 A337 F338 L355 L358 L359 C362L322-L334 HydrophobicContact CD2-CD1 4.43Å; A330-L334 WeakPolarHBondContact O-CB 3.31Å; A330-L334 VanDerWaalsContact O-CG 3.26Å; A330-L334 WeakPolarHBondContact O-CG 3.21Å; A330-L334 PolarHBondContact O-N 3.14Å; L334-A337 PolarHBondContact O-N 3.31Å; L334-F338 WeakPolarHBondContact O-CB 3.39Å; L334-F338 PolarHBondContact O-N 3.2Å; L334-L355 HydrophobicContact CB-CD1 4.38Å; L334-L355 HydrophobicContact CD2-CD1 3.77Å; L334-L358 HydrophobicContact CD1-CB 3.99Å; L334-L358 HydrophobicContact CD2-CB 4.05Å; L334-L358 HydrophobicContact CD2-CD1 4.03Å; L334-L359 HydrophobicContact CB-CD2 3.63Å; L334-L359 HydrophobicContact CB-CG 4.16Å; L334-C362 HydrophobicContact CD1-CB 4.06Å
335R98.8Very high98.6Very high140 Ų14049.6 Ų49.653%0.52824%0.242SC..Hα-helixtrans-64.5-44.2172.3-73.8178.9-175.3-165.32.1112M331 N333 A337 F338 D339 L359M331-R335 WeakPolarHBondContact O-CB 3.25Å; M331-R335 VanDerWaalsContact O-CG 3.27Å; M331-R335 WeakPolarHBondContact O-CG 3.29Å; M331-R335 PolarHBondContact O-N 3.27Å; M331-R335 HydrophobicContact SD-CG 3.92Å; M331-R335 PolarHBondContact SD-NE 3.33Å; N333-R335 VanDerWaalsContact C-N 3.31Å; N333-R335 PolarHBondContact O-N 2.81Å; R335-A337 VanDerWaalsContact C-N 3.34Å; R335-A337 PolarHBondContact O-N 2.98Å; R335-F338 WeakPolarHBondContact O-CB 3.44Å; R335-F338 PolarHBondContact O-N 3.21Å; R335-F338 VanDerWaalsContact O-N 3.15Å; R335-D339 PolarHBondContact O-N 3.39Å; R335-L359 HydrophobicContact CG-CD2 3.9Å
336L98.8Very high98.6Very high54 Ų5448 Ų4828%0.28323%0.225SC..Hα-helixtrans-62.3-41.5175.417662.1000111.9V314 K332 N333 F338 D339 I340V314-L336 HydrophobicContact CG1-CB 4.01Å; V314-L336 HydrophobicContact CG1-CD2 3.99Å; V314-L336 HydrophobicContact CG1-CG 3.97Å; V314-L336 HydrophobicContact CG2-CD2 4.23Å; K332-L336 PolarHBondContact O-N 3.27Å; K332-L336 VanDerWaalsContact O-N 3.16Å; N333-L336 CarbonylContact O-C 3.4Å; N333-L336 WeakPolarHBondContact O-CB 3.34Å; N333-L336 PolarHBondContact O-N 3.25Å; N333-L336 VanDerWaalsContact O-N 3.13Å; L336-F338 VanDerWaalsContact C-N 3.3Å; L336-F338 PolarHBondContact O-N 2.85Å; L336-D339 PolarHBondContact O-N 2.8Å; L336-I340 HydrophobicContact CD1-CD1 4.11Å; L336-I340 HydrophobicContact CD1-CG1 4.48Å; L336-I340 HydrophobicContact CG-CD1 4.18Å; L336-I340 WeakPolarHBondContact O-CG1 3.35Å; L336-I340 PolarHBondContact O-N 3.41Å
337A98.9Very high98.5Very high0 Ų054.8 Ų54.80%025%0.247CC..Hα-helixtrans-58.7-4517300000110.4V314 M315 N333 L334 R335 D339 I340 M341 L355V314-A337 HydrophobicContact CB-CB 4.22Å; V314-A337 HydrophobicContact CG1-CB 3.91Å; M315-A337 HydrophobicContact CB-CB 3.86Å; N333-A337 PolarHBondContact O-N 2.87Å; L334-A337 PolarHBondContact O-N 3.31Å; R335-A337 VanDerWaalsContact C-N 3.34Å; R335-A337 PolarHBondContact O-N 2.98Å; A337-D339 PolarHBondContact O-N 3.49Å; A337-I340 PolarHBondContact O-N 3.49Å; A337-M341 HydrophobicContact CB-SD 4.25Å; A337-M341 WeakPolarHBondContact O-CB 3.41Å; A337-M341 WeakPolarHBondContact O-CG 3.5Å; A337-M341 PolarHBondContact O-N 3.06Å; A337-L355 HydrophobicContact CB-CD1 4.24Å; A337-L355 HydrophobicContact CB-CD2 4.11Å
338F98.8Very high98.5Very high63 Ų6356.9 Ų56.928%0.27626%0.258SS..Hα-helixtrans-63.9-41.8178.8-176-93.8000112.3L334 R335 L336 I340 M341 R342 L355 I356 L359L334-F338 WeakPolarHBondContact O-CB 3.39Å; L334-F338 PolarHBondContact O-N 3.2Å; R335-F338 WeakPolarHBondContact O-CB 3.44Å; R335-F338 PolarHBondContact O-N 3.21Å; R335-F338 VanDerWaalsContact O-N 3.15Å; L336-F338 VanDerWaalsContact C-N 3.3Å; L336-F338 PolarHBondContact O-N 2.85Å; F338-I340 VanDerWaalsContact C-N 3.26Å; F338-I340 PolarHBondContact O-N 2.95Å; F338-M341 PolarHBondContact O-N 3.05Å; F338-R342 HydrophobicContact CE1-CB 4.36Å; F338-R342 HydrophobicContact CZ-CB 4.45Å; F338-R342 VanDerWaalsContact O-CB 3.23Å; F338-R342 WeakPolarHBondContact O-CB 3.37Å; F338-R342 VanDerWaalsContact O-CG 3.26Å; F338-R342 WeakPolarHBondContact O-CG 3.47Å; F338-R342 PolarHBondContact O-N 3.11Å; F338-L355 HydrophobicContact CB-CD2 3.94Å; F338-L355 HydrophobicContact CB-CG 4.49Å; F338-L355 HydrophobicContact CD2-CD2 4.24Å; F338-I356 HydrophobicContact CD2-CG1 4.48Å; F338-I356 HydrophobicContact CE2-CD1 4.35Å; F338-I356 HydrophobicContact CE2-CG1 4Å; F338-L359 HydrophobicContact CB-CD1 4.02Å; F338-L359 HydrophobicContact CD2-CD1 4.02Å; F338-L359 HydrophobicContact CG-CD1 4.1Å
339D98.8Very high98.5Very high74 Ų7452.9 Ų52.940%0.39623%0.231SC..Hα-helixtrans-59.6-36.5177.3-75.1-29.1000112.6R335 L336 A337 R342R335-D339 PolarHBondContact O-N 3.39Å; L336-D339 PolarHBondContact O-N 2.8Å; A337-D339 PolarHBondContact O-N 3.49Å; D339-R342 WeakPolarHBondContact O-CG 3.37Å; D339-R342 PolarHBondContact O-NE 3.45Å; D339-R342 IonicContact OD1-CZ 2.85Å; D339-R342 IonicContact OD1-NE 3.61Å; D339-R342 IonicContact OD1-NH1 3.67Å; D339-R342 IonicContact OD1-NH2 3.69Å
340I98.9Very high98.5Very high5 Ų550.9 Ų50.93%0.02623%0.227CC..Hα-helixtrans-79.8-45.7176.6-62164.9000111.1H307 R310 L336 A337 F338 V343 T344H307-I340 WeakPolarHBondContact O-CG2 3.37Å; R310-I340 HydrophobicContact CG-CD1 4.13Å; L336-I340 HydrophobicContact CD1-CD1 4.11Å; L336-I340 HydrophobicContact CD1-CG1 4.48Å; L336-I340 HydrophobicContact CG-CD1 4.18Å; L336-I340 WeakPolarHBondContact O-CG1 3.35Å; L336-I340 PolarHBondContact O-N 3.41Å; A337-I340 PolarHBondContact O-N 3.49Å; F338-I340 VanDerWaalsContact C-N 3.26Å; F338-I340 PolarHBondContact O-N 2.95Å; I340-V343 PolarHBondContact O-N 2.84Å; I340-T344 HydrophobicContact CG2-CG2 4.4Å; I340-T344 PolarHBondContact O-N 3.25Å; I340-T344 VanDerWaalsContact O-N 3.09Å; I340-T344 PolarHBondContact O-OG1 3.28Å
341M98.8Very high98.5Very high0 Ų051.4 Ų51.40%023%0.23CC..Hα-helixtrans-77.8-26.6-171.1-65.417565.700112.4G311 V312 M315 A337 F338 V343 T344 H345 G346 L351 I352 L355G311-M341 VanDerWaalsContact C-SD 3.53Å; V312-M341 HydrophobicContact CG2-CE 4.23Å; M315-M341 HydrophobicContact CB-SD 4.12Å; M315-M341 HydrophobicContact SD-CE 3.83Å; M315-M341 HydrophobicContact SD-SD 4.02Å; A337-M341 HydrophobicContact CB-SD 4.25Å; A337-M341 WeakPolarHBondContact O-CB 3.41Å; A337-M341 WeakPolarHBondContact O-CG 3.5Å; A337-M341 PolarHBondContact O-N 3.06Å; F338-M341 PolarHBondContact O-N 3.05Å; M341-V343 PolarHBondContact O-N 3.39Å; M341-T344 WeakPolarHBondContact CA-OG1 3.48Å; M341-T344 PolarHBondContact O-N 3.18Å; M341-H345 WeakPolarHBondContact O-CA 3.42Å; M341-H345 WeakPolarHBondContact O-CB 3.44Å; M341-H345 PolarHBondContact O-N 3.04Å; M341-G346 PolarHBondContact O-N 3Å; M341-L351 HydrophobicContact CE-CB 4.41Å; M341-L351 HydrophobicContact CE-CD2 3.49Å; M341-L351 VanDerWaalsContact CE-CD2 3.49Å; M341-L351 HydrophobicContact CE-CG 3.73Å; M341-I352 HydrophobicContact CB-CD1 3.51Å; M341-L355 HydrophobicContact CB-CD2 4.34Å; M341-L355 HydrophobicContact CE-CD2 4.46Å; M341-L355 HydrophobicContact SD-CD2 3.89Å
342R98.4Very high98.5Very high141 Ų14151.2 Ų51.253%0.53223%0.229SC..Hα-helixtrans-60.3-29.1171.174-173.3-176.9174.31.1112.2F338 D339F338-R342 HydrophobicContact CE1-CB 4.36Å; F338-R342 HydrophobicContact CZ-CB 4.45Å; F338-R342 VanDerWaalsContact O-CB 3.23Å; F338-R342 WeakPolarHBondContact O-CB 3.37Å; F338-R342 VanDerWaalsContact O-CG 3.26Å; F338-R342 WeakPolarHBondContact O-CG 3.47Å; F338-R342 PolarHBondContact O-N 3.11Å; D339-R342 WeakPolarHBondContact O-CG 3.37Å; D339-R342 PolarHBondContact O-NE 3.45Å; D339-R342 IonicContact OD1-CZ 2.85Å; D339-R342 IonicContact OD1-NE 3.61Å; D339-R342 IonicContact OD1-NH1 3.67Å; D339-R342 IonicContact OD1-NH2 3.69Å
343V98.7Very high98.4Very high43 Ų4349.4 Ų49.426%0.26122%0.223SC..Hα-helixtrans-82.2-54.6175.5-179.40000110.2R165 V167 I340 M341R165-V343 VanDerWaalsContact CD-O 3.25Å; R165-V343 WeakPolarHBondContact CD-O 3.39Å; R165-V343 PolarHBondContact NE-O 3.11Å; V167-V343 HydrophobicContact CB-CG1 4.44Å; V167-V343 HydrophobicContact CG1-CG1 4.35Å; I340-V343 PolarHBondContact O-N 2.84Å; M341-V343 PolarHBondContact O-N 3.39Å
344T98.7Very high98.4Very high0 Ų052.4 Ų52.40%024%0.239CC..Hα-helixtrans-80.6-30.2-168.653.60000114.8V156 R165 V167 S306 P308 I340 M341V156-T344 WeakPolarHBondContact CG1-O 3.5Å; V156-T344 WeakPolarHBondContact CG2-O 3.13Å; R165-T344 VanDerWaalsContact CD-O 3.29Å; R165-T344 WeakPolarHBondContact CD-O 3.39Å; V167-T344 HydrophobicContact CG1-CG2 4.06Å; S306-T344 VanDerWaalsContact C-CG2 3.48Å; S306-T344 WeakPolarHBondContact O-CG2 3.26Å; P308-T344 HydrophobicContact CB-CG2 4.47Å; I340-T344 HydrophobicContact CG2-CG2 4.4Å; I340-T344 PolarHBondContact O-N 3.25Å; I340-T344 VanDerWaalsContact O-N 3.09Å; I340-T344 PolarHBondContact O-OG1 3.28Å; M341-T344 WeakPolarHBondContact CA-OG1 3.48Å; M341-T344 PolarHBondContact O-N 3.18Å
345H98.6Very high98.4Very high1 Ų152.4 Ų52.41%0.00524%0.239CC..THydrogen-bonded Turntrans-108.2-51179.9-64.467.6000110.8R165 M341 H349 I352R165-H345 WeakPolarHBondContact CD-O 3.38Å; R165-H345 PolarHBondContact NH1-O 3.38Å; M341-H345 WeakPolarHBondContact O-CA 3.42Å; M341-H345 WeakPolarHBondContact O-CB 3.44Å; M341-H345 PolarHBondContact O-N 3.04Å; H345-H349 HydrophobicContact CB-CB 3.82Å; H345-H349 AromaticContact CD2-CD2 3.84Å; H345-H349 AromaticContact CD2-CE1 3.81Å; H345-H349 AromaticContact CD2-CG 3.79Å; H345-H349 AromaticContact CD2-ND1 3.76Å; H345-H349 AromaticContact CD2-NE2 3.87Å; H345-I352 HydrophobicContact CB-CD1 4.28Å; H345-I352 HydrophobicContact CB-CG1 3.96Å
346G97.8Very high98.4Very high3 Ų348.7 Ų48.73%0.03123%0.229CC..  trans69.1173.8-178.300000113.8M341 E348 H349 I352M341-G346 PolarHBondContact O-N 3Å; G346-E348 PolarHBondContact O-N 3.41Å; G346-E348 VanDerWaalsContact O-N 3.07Å; G346-H349 PolarHBondContact O-N 3.24Å; G346-H349 VanDerWaalsContact O-N 3.09Å; G346-I352 VanDerWaalsContact O-CG1 3.26Å; G346-I352 WeakPolarHBondContact O-CG1 3.25Å
347R97.3Very high98.3Very high207 Ų20751 Ų5178%0.78124%0.241SC*.THydrogen-bonded Turntrans-61.1-18.1-175.265.9-179.3-179.3177.50.8114.4
348E97.5Very high98.3Very high91 Ų9151.7 Ų51.743%0.42525%0.245SC..THydrogen-bonded Turntrans-77.4-12.2179.3-61.377.2-162.800112.7L163 R165 G346L163-E348 HydrophobicContact CD1-CB 4.21Å; L163-E348 HydrophobicContact CD2-CB 4.46Å; R165-E348 IonicContact CZ-OE2 2.63Å; R165-E348 IonicContact NH1-OE2 2.8Å; R165-E348 PolarHBondContact NH1-OE2 2.65Å; R165-E348 IonicContact NH2-OE2 3.08Å; G346-E348 PolarHBondContact O-N 3.41Å; G346-E348 VanDerWaalsContact O-N 3.07Å
349H98.4Very high98.3Very high3 Ų350.1 Ų50.11%0.01424%0.239CC..SBendtrans-102.3128-179.8-166.4-71.8000111.3F157 L163 H345 G346 L351 I352F157-H349 PolarHBondContact O-NE2 3.04Å; F157-H349 VanDerWaalsContact O-NE2 3.1Å; L163-H349 HydrophobicContact CD1-CB 3.95Å; H345-H349 HydrophobicContact CB-CB 3.82Å; H345-H349 AromaticContact CD2-CD2 3.84Å; H345-H349 AromaticContact CD2-CE1 3.81Å; H345-H349 AromaticContact CD2-CG 3.79Å; H345-H349 AromaticContact CD2-ND1 3.76Å; H345-H349 AromaticContact CD2-NE2 3.87Å; G346-H349 PolarHBondContact O-N 3.24Å; G346-H349 VanDerWaalsContact O-N 3.09Å; H349-L351 VanDerWaalsContact C-N 3.27Å; H349-L351 VanDerWaalsContact CE1-CB 3.45Å; H349-L351 WeakPolarHBondContact CE1-CB 3.48Å; H349-L351 VanDerWaalsContact ND1-CB 3.26Å; H349-L351 WeakPolarHBondContact ND1-CB 3.38Å; H349-L351 PolarHBondContact ND1-N 3.38Å; H349-L351 VanDerWaalsContact ND1-N 3.12Å; H349-L351 PolarHBondContact O-N 3.17Å; H349-I352 WeakPolarHBondContact O-CB 3.46Å; H349-I352 PolarHBondContact O-N 2.84Å
350S97.9Very high98.3Very high46 Ų4652.1 Ų52.132%0.32225%0.246SC..Hα-helixtrans-62.2-31.2-173.956.20000114N158 I352 E353 D354N158-S350 PolarHBondContact ND2-N 3.44Å; N158-S350 PolarHBondContact OD1-OG 3.4Å; S350-I352 PolarHBondContact O-N 3.09Å; S350-I352 VanDerWaalsContact O-N 3.1Å; S350-E353 VanDerWaalsContact O-CB 3.32Å; S350-E353 WeakPolarHBondContact O-CB 3.29Å; S350-E353 PolarHBondContact O-N 3.43Å; S350-D354 PolarHBondContact O-N 3.3Å
351L98.1Very high98.3Very high12 Ų1255.8 Ų55.86%0.06326%0.263CS..Hα-helixtrans-59.5-22176.4-167.362.6000113.7A129 V312 M315 M341 H349 D354 L355A129-L351 HydrophobicContact CB-CD1 4.24Å; A129-L351 HydrophobicContact CB-CD2 4.22Å; A129-L351 WeakPolarHBondContact O-CD2 3.38Å; V312-L351 HydrophobicContact CG2-CD2 3.94Å; M315-L351 HydrophobicContact CE-CD1 3.64Å; M315-L351 HydrophobicContact CE-CG 4.11Å; M315-L351 HydrophobicContact SD-CD1 3.96Å; M315-L351 HydrophobicContact SD-CD2 4.27Å; M315-L351 HydrophobicContact SD-CG 3.91Å; M341-L351 HydrophobicContact CE-CB 4.41Å; M341-L351 HydrophobicContact CE-CD2 3.49Å; M341-L351 VanDerWaalsContact CE-CD2 3.49Å; M341-L351 HydrophobicContact CE-CG 3.73Å; H349-L351 VanDerWaalsContact C-N 3.27Å; H349-L351 VanDerWaalsContact CE1-CB 3.45Å; H349-L351 WeakPolarHBondContact CE1-CB 3.48Å; H349-L351 VanDerWaalsContact ND1-CB 3.26Å; H349-L351 WeakPolarHBondContact ND1-CB 3.38Å; H349-L351 PolarHBondContact ND1-N 3.38Å; H349-L351 VanDerWaalsContact ND1-N 3.12Å; H349-L351 PolarHBondContact O-N 3.17Å; L351-D354 HydrophobicContact CD1-CB 4.35Å; L351-L355 WeakPolarHBondContact O-CB 3.32Å; L351-L355 PolarHBondContact O-N 3.37Å
352I98.3Very high98.2Very high10 Ų1055.8 Ų55.85%0.05126%0.263CS..Hα-helixtrans-69.7-36.2172-73.1-61.9000111.5M341 H345 G346 H349 S350 L355 I356M341-I352 HydrophobicContact CB-CD1 3.51Å; H345-I352 HydrophobicContact CB-CD1 4.28Å; H345-I352 HydrophobicContact CB-CG1 3.96Å; G346-I352 VanDerWaalsContact O-CG1 3.26Å; G346-I352 WeakPolarHBondContact O-CG1 3.25Å; H349-I352 WeakPolarHBondContact O-CB 3.46Å; H349-I352 PolarHBondContact O-N 2.84Å; S350-I352 PolarHBondContact O-N 3.09Å; S350-I352 VanDerWaalsContact O-N 3.1Å; I352-L355 HydrophobicContact CD1-CD2 4.43Å; I352-L355 PolarHBondContact O-N 3.37Å; I352-I356 HydrophobicContact CG2-CD1 3.86Å; I352-I356 HydrophobicContact CG2-CG1 4.45Å; I352-I356 VanDerWaalsContact O-CG1 3.27Å; I352-I356 WeakPolarHBondContact O-CG1 3.32Å; I352-I356 PolarHBondContact O-N 3.48Å
353E97.8Very high98.2Very high124 Ų12451.3 Ų51.358%0.57925%0.25SC*.Hα-helixtrans-64.1-45.8175.4-57.3176.5175.900110S350 L355 I356 L357S350-E353 VanDerWaalsContact O-CB 3.32Å; S350-E353 WeakPolarHBondContact O-CB 3.29Å; S350-E353 PolarHBondContact O-N 3.43Å; E353-L355 VanDerWaalsContact C-N 3.3Å; E353-L355 PolarHBondContact O-N 3.3Å; E353-I356 PolarHBondContact O-N 3.47Å; E353-L357 WeakPolarHBondContact O-CG 3.46Å; E353-L357 PolarHBondContact O-N 2.93Å
354D98.1Very high98.1Very high83 Ų8351.8 Ų51.844%0.44426%0.258SS..Hα-helixtrans-58.4-42175.2-64.1-30.2000111.7M315 S350 L351 L357 L358M315-D354 HydrophobicContact CE-CB 4.19Å; S350-D354 PolarHBondContact O-N 3.3Å; L351-D354 HydrophobicContact CD1-CB 4.35Å; D354-L357 PolarHBondContact O-N 3.07Å; D354-L358 WeakPolarHBondContact O-CG 3.38Å; D354-L358 PolarHBondContact O-N 2.83Å; D354-L358 VanDerWaalsContact O-N 3.14Å
355L98.6Very high97.9Very high0 Ų055.6 Ų55.60%028%0.275CS..Hα-helixtrans-66.7-38.1177.7179.157.2000112.8M315 L334 A337 F338 M341 L351 I352 E353 L357 L358 L359M315-L355 HydrophobicContact CE-CB 3.89Å; M315-L355 HydrophobicContact CE-CD1 4.42Å; M315-L355 HydrophobicContact CG-CD1 4.03Å; M315-L355 HydrophobicContact SD-CB 4.12Å; M315-L355 HydrophobicContact SD-CD1 4.24Å; L334-L355 HydrophobicContact CB-CD1 4.38Å; L334-L355 HydrophobicContact CD2-CD1 3.77Å; A337-L355 HydrophobicContact CB-CD1 4.24Å; A337-L355 HydrophobicContact CB-CD2 4.11Å; F338-L355 HydrophobicContact CB-CD2 3.94Å; F338-L355 HydrophobicContact CB-CG 4.49Å; F338-L355 HydrophobicContact CD2-CD2 4.24Å; M341-L355 HydrophobicContact CB-CD2 4.34Å; M341-L355 HydrophobicContact CE-CD2 4.46Å; M341-L355 HydrophobicContact SD-CD2 3.89Å; L351-L355 WeakPolarHBondContact O-CB 3.32Å; L351-L355 PolarHBondContact O-N 3.37Å; I352-L355 HydrophobicContact CD1-CD2 4.43Å; I352-L355 PolarHBondContact O-N 3.37Å; E353-L355 VanDerWaalsContact C-N 3.3Å; E353-L355 PolarHBondContact O-N 3.3Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L355-L358 PolarHBondContact O-N 2.91Å; L355-L359 WeakPolarHBondContact O-CG 3.35Å; L355-L359 PolarHBondContact O-N 2.68Å
356I98.5Very high97.7Very high63 Ų6358.1 Ų58.132%0.32329%0.288SS..Hα-helixtrans-62.9-42.6175.4-70.9164.6000110.2F338 I352 E353 L358 L359 E360F338-I356 HydrophobicContact CD2-CG1 4.48Å; F338-I356 HydrophobicContact CE2-CD1 4.35Å; F338-I356 HydrophobicContact CE2-CG1 4Å; I352-I356 HydrophobicContact CG2-CD1 3.86Å; I352-I356 HydrophobicContact CG2-CG1 4.45Å; I352-I356 VanDerWaalsContact O-CG1 3.27Å; I352-I356 WeakPolarHBondContact O-CG1 3.32Å; I352-I356 PolarHBondContact O-N 3.48Å; E353-I356 PolarHBondContact O-N 3.47Å; I356-L358 VanDerWaalsContact C-N 3.33Å; I356-L358 PolarHBondContact O-N 3.46Å; I356-L359 WeakPolarHBondContact O-CB 3.46Å; I356-L359 PolarHBondContact O-N 3.24Å; I356-L359 VanDerWaalsContact O-N 3.14Å; I356-E360 HydrophobicContact CG2-CG 4.47Å; I356-E360 WeakPolarHBondContact O-CG 3.4Å; I356-E360 PolarHBondContact O-N 3.39Å
357L98.4Very high97.5Very high102 Ų10266.8 Ų66.853%0.53432%0.32SS..Hα-helixtrans-60.7-41.8176.1-67173.2000112E353 D354 L355 L359 E360 E361E353-L357 WeakPolarHBondContact O-CG 3.46Å; E353-L357 PolarHBondContact O-N 2.93Å; D354-L357 PolarHBondContact O-N 3.07Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L357-L359 VanDerWaalsContact C-N 3.32Å; L357-L359 PolarHBondContact O-N 3.1Å; L357-E360 PolarHBondContact O-N 2.83Å; L357-E361 WeakPolarHBondContact O-CB 3.45Å; L357-E361 PolarHBondContact O-N 3.03Å
358L98.6Very high97.1Very high15 Ų1561.2 Ų61.28%0.07932%0.318CS..Hα-helixtrans-63.6-37.2175.3-65.2173000112.4M315 K319 L322 L334 D354 L355 I356 C362M315-L358 HydrophobicContact CE-CD1 3.8Å; K319-L358 HydrophobicContact CB-CD1 4.12Å; K319-L358 HydrophobicContact CD-CD1 4.19Å; K319-L358 HydrophobicContact CD-CD2 4.46Å; K319-L358 HydrophobicContact CG-CD1 4.19Å; K319-L358 HydrophobicContact CG-CD2 4.17Å; L322-L358 HydrophobicContact CD2-CB 4.37Å; L322-L358 HydrophobicContact CD2-CD2 3.9Å; L334-L358 HydrophobicContact CD1-CB 3.99Å; L334-L358 HydrophobicContact CD2-CB 4.05Å; L334-L358 HydrophobicContact CD2-CD1 4.03Å; D354-L358 WeakPolarHBondContact O-CG 3.38Å; D354-L358 PolarHBondContact O-N 2.83Å; D354-L358 VanDerWaalsContact O-N 3.14Å; L355-L358 PolarHBondContact O-N 2.91Å; I356-L358 VanDerWaalsContact C-N 3.33Å; I356-L358 PolarHBondContact O-N 3.46Å; L358-C362 VanDerWaalsContact O-CB 3.23Å; L358-C362 WeakPolarHBondContact O-CB 3.33Å; L358-C362 PolarHBondContact O-N 2.89Å
359L98.6Very high96Very high30 Ų3063.4 Ų63.416%0.15734%0.344CS..Hα-helixtrans-64.8-45.2175.4-77.8165.5000111.3M331 L334 R335 F338 L355 I356 L357 C362 D363M331-L359 HydrophobicContact SD-CD2 3.91Å; L334-L359 HydrophobicContact CB-CD2 3.63Å; L334-L359 HydrophobicContact CB-CG 4.16Å; R335-L359 HydrophobicContact CG-CD2 3.9Å; F338-L359 HydrophobicContact CB-CD1 4.02Å; F338-L359 HydrophobicContact CD2-CD1 4.02Å; F338-L359 HydrophobicContact CG-CD1 4.1Å; L355-L359 WeakPolarHBondContact O-CG 3.35Å; L355-L359 PolarHBondContact O-N 2.68Å; I356-L359 WeakPolarHBondContact O-CB 3.46Å; I356-L359 PolarHBondContact O-N 3.24Å; I356-L359 VanDerWaalsContact O-N 3.14Å; L357-L359 VanDerWaalsContact C-N 3.32Å; L357-L359 PolarHBondContact O-N 3.1Å; L359-C362 PolarHBondContact O-N 3.44Å; L359-D363 VanDerWaalsContact O-CB 3.27Å; L359-D363 WeakPolarHBondContact O-CB 3.41Å; L359-D363 PolarHBondContact O-N 3.38Å
360E98.3Very high95.8Very high116 Ų11666.4 Ų66.454%0.54236%0.36SS..Hα-helixtrans-63.6-44.7177.8-70.6177.3172.700111.9I356 L357 D363 A364I356-E360 HydrophobicContact CG2-CG 4.47Å; I356-E360 WeakPolarHBondContact O-CG 3.4Å; I356-E360 PolarHBondContact O-N 3.39Å; L357-E360 PolarHBondContact O-N 2.83Å; E360-D363 PolarHBondContact O-N 3.4Å; E360-A364 WeakPolarHBondContact O-CB 3.13Å; E360-A364 PolarHBondContact O-N 3.36Å
361E98.2Very high95.7Very high82 Ų8267.5 Ų67.538%0.38336%0.362SS..Hα-helixtrans-59.1-50.1175.6-177.8-177.8171.800111.2L322 L357 D363 A364 H365L322-E361 HydrophobicContact CD2-CB 4.37Å; L322-E361 HydrophobicContact CD2-CG 4.2Å; L357-E361 WeakPolarHBondContact O-CB 3.45Å; L357-E361 PolarHBondContact O-N 3.03Å; E361-D363 VanDerWaalsContact C-N 3.35Å; E361-D363 PolarHBondContact O-N 2.92Å; E361-A364 PolarHBondContact O-N 3.46Å; E361-H365 PolarHBondContact O-CD2 3.43Å; E361-H365 VanDerWaalsContact O-CD2 3.23Å; E361-H365 PolarHBondContact O-N 3.29Å
362C98.1Very high95.6Very high0 Ų070.6 Ų70.60%038%0.379CS..Hα-helixtrans-64.5-39.1-179.2-168.80000112.2L322 F327 M331 L334 L358 L359 H365 I366L322-C362 HydrophobicContact CD1-CB 3.77Å; L322-C362 HydrophobicContact CD2-CB 4.35Å; F327-C362 PolarHBondContact O-SG 3.3Å; F327-C362 VanDerWaalsContact O-SG 3.34Å; M331-C362 HydrophobicContact CE-CB 3.74Å; L334-C362 HydrophobicContact CD1-CB 4.06Å; L358-C362 VanDerWaalsContact O-CB 3.23Å; L358-C362 WeakPolarHBondContact O-CB 3.33Å; L358-C362 PolarHBondContact O-N 2.89Å; L359-C362 PolarHBondContact O-N 3.44Å; C362-H365 PolarHBondContact O-N 3.24Å; C362-I366 WeakPolarHBondContact O-CG1 3.44Å; C362-I366 PolarHBondContact O-N 3.16Å; C362-I366 VanDerWaalsContact O-N 3.08Å
363D97.1Very high95.4Very high47 Ų4774.1 Ų74.125%0.25140%0.398SS..Hα-helixtrans-67.6-36.9178.3-172.575.8000112.4M331 L359 E360 E361 H365 I366 R367M331-D363 VanDerWaalsContact CE-CA 3.5Å; M331-D363 HydrophobicContact CE-CB 3.6Å; M331-D363 VanDerWaalsContact CE-N 3.25Å; L359-D363 VanDerWaalsContact O-CB 3.27Å; L359-D363 WeakPolarHBondContact O-CB 3.41Å; L359-D363 PolarHBondContact O-N 3.38Å; E360-D363 PolarHBondContact O-N 3.4Å; E361-D363 VanDerWaalsContact C-N 3.35Å; E361-D363 PolarHBondContact O-N 2.92Å; D363-H365 VanDerWaalsContact C-N 3.35Å; D363-I366 PolarHBondContact O-N 3.48Å; D363-R367 WeakPolarHBondContact O-CG 3.43Å; D363-R367 PolarHBondContact O-N 3.32Å; D363-R367 IonicContact OD2-CZ 3.56Å; D363-R367 IonicContact OD2-NE 3.01Å; D363-R367 PolarHBondContact OD2-NE 2.83Å; D363-R367 IonicContact OD2-NH2 3.8Å; D363-R367 PolarHBondContact OD2-NH2 3.37Å
364A96.9Very high95.3Very high52 Ų5271 Ų7143%0.4339%0.387SS..Hα-helixtrans-62.3-42.2173.600000111.7E360 E361 R367 A368E360-A364 WeakPolarHBondContact O-CB 3.13Å; E360-A364 PolarHBondContact O-N 3.36Å; E361-A364 PolarHBondContact O-N 3.46Å; A364-R367 PolarHBondContact O-N 3.04Å; A364-A368 WeakPolarHBondContact O-CB 3.27Å; A364-A368 PolarHBondContact O-N 3.42Å
365H95.8Very high95.1Very high80 Ų8070.2 Ų70.237%0.3738%0.383SS..Hα-helixtrans-64.7-42.7176.2-79.8-66.6000112.9F327 E361 C362 D363 R367 A368 S369F327-H365 HydrophobicContact CD1-CB 3.57Å; F327-H365 AromaticContact CD1-CG 3.97Å; F327-H365 HydrophobicContact CD2-CB 3.99Å; F327-H365 HydrophobicContact CE1-CB 3.55Å; F327-H365 AromaticContact CE1-CD2 3.66Å; F327-H365 AromaticContact CE1-CG 3.43Å; F327-H365 VanDerWaalsContact CE1-CG 3.43Å; F327-H365 AromaticContact CE1-ND1 3.92Å; F327-H365 HydrophobicContact CE2-CB 3.97Å; F327-H365 HydrophobicContact CG-CB 3.8Å; F327-H365 HydrophobicContact CZ-CB 3.75Å; F327-H365 AromaticContact CZ-CG 3.58Å; F327-H365 AromaticContact CZ-ND1 3.62Å; E361-H365 PolarHBondContact O-CD2 3.43Å; E361-H365 VanDerWaalsContact O-CD2 3.23Å; E361-H365 PolarHBondContact O-N 3.29Å; C362-H365 PolarHBondContact O-N 3.24Å; D363-H365 VanDerWaalsContact C-N 3.35Å; H365-R367 VanDerWaalsContact C-N 3.32Å; H365-R367 PolarHBondContact O-N 3.49Å; H365-A368 PolarHBondContact O-N 2.94Å; H365-S369 PolarHBondContact O-N 3.05Å
366I93.8Very high94.8Very high54 Ų5475.2 Ų75.228%0.27741%0.41SS..Hα-helixtrans-64.9-36.4178-67.7169.7000111.6F327 M331 C362 D363 A368 S369F327-I366 HydrophobicContact CB-CD1 4.29Å; F327-I366 HydrophobicContact CB-CG1 3.67Å; M331-I366 HydrophobicContact CB-CD1 3.56Å; M331-I366 HydrophobicContact CE-CD1 4.04Å; M331-I366 HydrophobicContact CG-CD1 3.9Å; C362-I366 WeakPolarHBondContact O-CG1 3.44Å; C362-I366 PolarHBondContact O-N 3.16Å; C362-I366 VanDerWaalsContact O-N 3.08Å; D363-I366 PolarHBondContact O-N 3.48Å; I366-A368 VanDerWaalsContact C-N 3.28Å; I366-A368 PolarHBondContact O-N 3.36Å; I366-S369 PolarHBondContact O-OG 2.61Å
367R92.8Very high94.6Very high186 Ų18676.2 Ų76.270%0.70242%0.417SS*.Hα-helixtrans-72.5-21.7176.8-75.1-172.7-78.9176.4-6113.5D363 A364 H365D363-R367 WeakPolarHBondContact O-CG 3.43Å; D363-R367 PolarHBondContact O-N 3.32Å; D363-R367 IonicContact OD2-CZ 3.56Å; D363-R367 IonicContact OD2-NE 3.01Å; D363-R367 PolarHBondContact OD2-NE 2.83Å; D363-R367 IonicContact OD2-NH2 3.8Å; D363-R367 PolarHBondContact OD2-NH2 3.37Å; A364-R367 PolarHBondContact O-N 3.04Å; H365-R367 VanDerWaalsContact C-N 3.32Å; H365-R367 PolarHBondContact O-N 3.49Å
368A89.4Confident94.2Very high89 Ų8974 Ų7474%0.73641%0.407SS*.Hα-helixtrans-89.7-18.3179.700000113.7A364 H365 I366A364-A368 WeakPolarHBondContact O-CB 3.27Å; A364-A368 PolarHBondContact O-N 3.42Å; H365-A368 PolarHBondContact O-N 2.94Å; I366-A368 VanDerWaalsContact C-N 3.28Å; I366-A368 PolarHBondContact O-N 3.36Å
369S73.4Confident93.9Very high137 Ų13779.4 Ų79.496%0.95844%0.437SS*.  trans-88.10173.5630000112H365 I366H365-S369 PolarHBondContact O-N 3.05Å; I366-S369 PolarHBondContact O-OG 2.61Å

Retrieved 369 of 369 residues in 212.1 ms (Link to these results)

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