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BBSome complex assembly protein BBS10

Probable molecular chaperone that assists the folding of proteins upon ATP hydrolysis. Plays a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia. Involved in adipogenic differentiation.

AlphaFold DB , UniProt , Accession A0A096MWX4, Species PAPAN (Papio anubis, Olive baboon), Gene BBS10, Length 720 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
1M29.7Very low46.5Very low247 Ų24794.8 Ų94.8100%1.21758%0.576SS**  0110.10-80.5-175.8159.500109.1S3M1-S3 PolarHBondContact O-N 2.72Å
2L28.6Very low49.8Very low144 Ų14496.6 Ų96.675%0.75457%0.57SS**  trans-80103.3173.6-82.4143.1000108.3S4 V704L2-S4 PolarHBondContact O-N 3.12Å; L2-V704 HydrophobicContact CD2-CG1 4Å
3S29.1Very low52.7Low105 Ų10591.2 Ų91.273%0.73454%0.543SS*.  trans-78.992.5167133.10000107.6M1 M5M1-S3 PolarHBondContact O-N 2.72Å; S3-M5 PolarHBondContact O-N 3.02Å
4S35.4Very low55.4Low79 Ų7984.6 Ų84.655%0.55250%0.504SS*.  trans-78.7111.3168.751.20000108.9L2 A6L2-S4 PolarHBondContact O-N 3.12Å; S4-A6 PolarHBondContact O-N 3.49Å
5M39.9Very low58.1Low149 Ų14980 Ų8073%0.73448%0.475SS*.EExtended strand (participates in β ladder)trans-82.297.9163.4-65.6-170.188.800106.9S3S3-M5 PolarHBondContact O-N 3.02Å
6A38.9Very low60.4Low61 Ų6181.9 Ų81.950%0.50448%0.478SS..EExtended strand (participates in β ladder)trans-82.7113.1174.100000108.2S4 L700S4-A6 PolarHBondContact O-N 3.49Å; A6-L700 HydrophobicContact CB-CD1 4.02Å; A6-L700 HydrophobicContact CB-CD2 4.27Å; A6-L700 HydrophobicContact CB-CG 4.39Å
7A50.3Low62.4Low58 Ų5878.2 Ų78.248%0.47946%0.456SS..EExtended strand (participates in β ladder)trans-95.2129.6171.800000108.3G9 V701A7-G9 PolarHBondContact O-N 3.2Å; A7-V701 PolarHBondContact N-O 3.48Å; A7-V701 PolarHBondContact O-N 3.45Å; A7-V701 VanDerWaalsContact O-N 3.12Å
8T49.3Very low64.3Low118 Ų11873.9 Ų73.972%0.72443%0.432SS*.EExtended strand (participates in β ladder)trans-57.8124.9172.814.50000109.3S10T8-S10 VanDerWaalsContact C-N 3.33Å; T8-S10 PolarHBondContact O-N 2.91Å
9G56.7Low66.1Low21 Ų2173.9 Ų73.922%0.21643%0.427CS..  trans-65.893.8171.700000108.6A7 D699A7-G9 PolarHBondContact O-N 3.2Å; G9-D699 PolarHBondContact N-O 2.97Å
10S72.4Confident67.6Low52 Ų5274.7 Ų74.736%0.36443%0.433SS..  trans-107.2135.5-176.1-174.80000110.3T8 K12 A13 A14T8-S10 VanDerWaalsContact C-N 3.33Å; T8-S10 PolarHBondContact O-N 2.91Å; S10-K12 PolarHBondContact O-N 2.9Å; S10-K12 WeakPolarHBondContact OG-CB 3.29Å; S10-K12 PolarHBondContact OG-N 3.34Å; S10-A13 WeakPolarHBondContact O-CA 3.41Å; S10-A13 WeakPolarHBondContact O-CB 3.43Å; S10-A13 PolarHBondContact O-N 3.39Å; S10-A14 PolarHBondContact O-N 3.43Å; S10-A14 VanDerWaalsContact O-N 3.08Å
11V81.6Confident69Low9 Ų971.4 Ų71.46%0.05541%0.414CS..Hα-helixtrans-48-32.1166.8174.20000111.3A14 L15 L94 L97 W126 L696V11-A14 PolarHBondContact O-N 2.94Å; V11-L15 VanDerWaalsContact O-CB 3.29Å; V11-L15 WeakPolarHBondContact O-CB 3.08Å; V11-L15 PolarHBondContact O-N 3.37Å; V11-L94 HydrophobicContact CG1-CD2 4.06Å; V11-L97 HydrophobicContact CG1-CB 4.33Å; V11-W126 HydrophobicContact CB-CH2 4.18Å; V11-W126 HydrophobicContact CB-CZ2 4.06Å; V11-W126 HydrophobicContact CG1-CH2 4.28Å; V11-W126 HydrophobicContact CG2-CD2 3.68Å; V11-W126 HydrophobicContact CG2-CE3 3.86Å; V11-W126 HydrophobicContact CG2-CG 4.38Å; V11-W126 HydrophobicContact CG2-CH2 3.73Å; V11-W126 HydrophobicContact CG2-CZ2 3.56Å; V11-W126 HydrophobicContact CG2-CZ3 3.88Å; V11-L696 HydrophobicContact CG2-CD2 3.56Å
12K85.2Confident72.2Confident116 Ų11660.4 Ų60.450%0.50436%0.359SS..Hα-helixtrans-62.9-44173.5-173.9174.5-179.7175.90113.2S10 L15 Q16S10-K12 PolarHBondContact O-N 2.9Å; S10-K12 WeakPolarHBondContact OG-CB 3.29Å; S10-K12 PolarHBondContact OG-N 3.34Å; K12-L15 PolarHBondContact O-N 3.14Å; K12-Q16 WeakPolarHBondContact O-CG 3.49Å; K12-Q16 PolarHBondContact O-N 3.33Å
13A87.6Confident75.3Confident26 Ų2656.8 Ų56.822%0.21535%0.35CS..Hα-helixtrans-67.9-41.1176.800000111.1S10 L15 Q16 V17S10-A13 WeakPolarHBondContact O-CA 3.41Å; S10-A13 WeakPolarHBondContact O-CB 3.43Å; S10-A13 PolarHBondContact O-N 3.39Å; A13-L15 VanDerWaalsContact C-N 3.32Å; A13-L15 PolarHBondContact O-N 3.47Å; A13-Q16 PolarHBondContact O-N 3.49Å; A13-V17 WeakPolarHBondContact O-CG2 3.43Å; A13-V17 PolarHBondContact O-N 3.04Å; A13-V17 VanDerWaalsContact O-N 3.09Å
14A91.6Very high78.2Confident0 Ų054.3 Ų54.30%033%0.328CS..Hα-helixtrans-61.9-40.6174.200000112.1S10 V11 V17 A18 I64 L94 I695S10-A14 PolarHBondContact O-N 3.43Å; S10-A14 VanDerWaalsContact O-N 3.08Å; V11-A14 PolarHBondContact O-N 2.94Å; A14-V17 PolarHBondContact O-N 3.49Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.45Å; A14-I64 HydrophobicContact CB-CD1 4.2Å; A14-I64 HydrophobicContact CB-CG2 4.21Å; A14-L94 HydrophobicContact CB-CD1 4.26Å; A14-L94 HydrophobicContact CB-CD2 4.21Å; A14-I695 HydrophobicContact CB-CG2 3.47Å; A14-I695 VanDerWaalsContact CB-CG2 3.47Å
15L94.8Very high81Confident15 Ų1550.5 Ų50.58%0.07930%0.302CS..Hα-helixtrans-60.7-51.2175175.456.7000111.1V11 K12 A13 V17 A18 E19 L94 R95 H98V11-L15 VanDerWaalsContact O-CB 3.29Å; V11-L15 WeakPolarHBondContact O-CB 3.08Å; V11-L15 PolarHBondContact O-N 3.37Å; K12-L15 PolarHBondContact O-N 3.14Å; A13-L15 VanDerWaalsContact C-N 3.32Å; A13-L15 PolarHBondContact O-N 3.47Å; L15-V17 VanDerWaalsContact C-N 3.27Å; L15-V17 PolarHBondContact O-N 2.69Å; L15-A18 CarbonylContact O-C 3.46Å; L15-A18 PolarHBondContact O-N 3.09Å; L15-E19 HydrophobicContact CD1-CG 3.83Å; L15-E19 HydrophobicContact CG-CG 4.31Å; L15-E19 VanDerWaalsContact O-CG 3.31Å; L15-E19 WeakPolarHBondContact O-CG 3.43Å; L15-E19 PolarHBondContact O-N 3.21Å; L15-L94 HydrophobicContact CB-CB 4.16Å; L15-L94 HydrophobicContact CD1-CB 3.89Å; L15-R95 HydrophobicContact CD1-CB 4.45Å; L15-R95 HydrophobicContact CD1-CG 3.53Å; L15-R95 HydrophobicContact CD2-CG 4.36Å; L15-H98 HydrophobicContact CD2-CB 3.88Å
16Q94.7Very high83.5Confident111 Ų11145.1 Ų45.152%0.51928%0.278SS..Hα-helixtrans-55.8-42.6178.3-73.1175.2-25.500112.4K12 A13 E19 V20K12-Q16 WeakPolarHBondContact O-CG 3.49Å; K12-Q16 PolarHBondContact O-N 3.33Å; A13-Q16 PolarHBondContact O-N 3.49Å; Q16-E19 PolarHBondContact O-N 2.82Å; Q16-V20 WeakPolarHBondContact O-CG2 3.46Å; Q16-V20 PolarHBondContact O-N 3.03Å
17V95.6Very high85.8Confident18 Ų1844.8 Ų44.811%0.10927%0.272CS..Hα-helixtrans-63.2-47.9175.1170.60000111.1A13 A14 L15 E19 V20 L21 H62 A65 I68A13-V17 WeakPolarHBondContact O-CG2 3.43Å; A13-V17 PolarHBondContact O-N 3.04Å; A13-V17 VanDerWaalsContact O-N 3.09Å; A14-V17 PolarHBondContact O-N 3.49Å; L15-V17 VanDerWaalsContact C-N 3.27Å; L15-V17 PolarHBondContact O-N 2.69Å; V17-E19 VanDerWaalsContact C-N 3.29Å; V17-E19 PolarHBondContact O-N 3.02Å; V17-V20 PolarHBondContact O-N 3.49Å; V17-L21 HydrophobicContact CG1-CD1 4.16Å; V17-L21 WeakPolarHBondContact O-CG 3.49Å; V17-L21 PolarHBondContact O-N 3.39Å; V17-H62 HydrophobicContact CG2-CB 4.45Å; V17-A65 HydrophobicContact CG1-CB 3.56Å; V17-I68 HydrophobicContact CG1-CD1 4.16Å
18A97Very high87.6Confident1 Ų142.1 Ų42.11%0.00825%0.249CC..Hα-helixtrans-62.5-35.3179.800000112.3A14 L15 L21 E22 C91 L94A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.45Å; L15-A18 CarbonylContact O-C 3.46Å; L15-A18 PolarHBondContact O-N 3.09Å; A18-L21 PolarHBondContact O-N 2.85Å; A18-E22 VanDerWaalsContact O-CB 3.28Å; A18-E22 WeakPolarHBondContact O-CB 3.14Å; A18-E22 PolarHBondContact O-N 3.03Å; A18-C91 HydrophobicContact CB-CB 3.99Å; A18-L94 HydrophobicContact CB-CD1 3.71Å
19E97.3Very high89.5Confident74 Ų7437.6 Ų37.635%0.34622%0.221SC..Hα-helixtrans-65.8-41176.6-71.5-173.5140.700112.3L15 Q16 V17 E22 A23 C91 R95L15-E19 HydrophobicContact CD1-CG 3.83Å; L15-E19 HydrophobicContact CG-CG 4.31Å; L15-E19 VanDerWaalsContact O-CG 3.31Å; L15-E19 WeakPolarHBondContact O-CG 3.43Å; L15-E19 PolarHBondContact O-N 3.21Å; Q16-E19 PolarHBondContact O-N 2.82Å; V17-E19 VanDerWaalsContact C-N 3.29Å; V17-E19 PolarHBondContact O-N 3.02Å; E19-E22 PolarHBondContact O-N 2.74Å; E19-A23 WeakPolarHBondContact O-CB 3.48Å; E19-A23 PolarHBondContact O-N 2.87Å; E19-C91 VanDerWaalsContact CG-SG 3.57Å; E19-R95 IonicContact OE1-CZ 3.83Å; E19-R95 IonicContact OE1-NE 2.9Å; E19-R95 PolarHBondContact OE1-NE 3.43Å; E19-R95 IonicContact OE1-NH2 3.81Å; E19-R95 PolarHBondContact OE1-NH2 2.65Å
20V96.4Very high90.9Very high90 Ų9037.3 Ų37.355%0.54522%0.217SC..Hα-helixtrans-63.8-46.4174.1174.20000110.5Q16 V17 E22 A23 I24Q16-V20 WeakPolarHBondContact O-CG2 3.46Å; Q16-V20 PolarHBondContact O-N 3.03Å; V17-V20 PolarHBondContact O-N 3.49Å; V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 PolarHBondContact O-N 3.31Å; V20-A23 PolarHBondContact O-N 3.11Å; V20-I24 HydrophobicContact CG1-CD1 4.34Å; V20-I24 WeakPolarHBondContact O-CG1 3.17Å; V20-I24 PolarHBondContact O-N 2.86Å
21L96.6Very high91.4Very high5 Ų536.1 Ų36.13%0.02621%0.208CC..Hα-helixtrans-63.6-40.2177.5-64.5178.2000111.7V17 A18 I24 V25 L55 L58 L60 I68 V69 I87V17-L21 HydrophobicContact CG1-CD1 4.16Å; V17-L21 WeakPolarHBondContact O-CG 3.49Å; V17-L21 PolarHBondContact O-N 3.39Å; A18-L21 PolarHBondContact O-N 2.85Å; L21-I24 PolarHBondContact O-N 3.12Å; L21-V25 WeakPolarHBondContact O-CG2 3.3Å; L21-V25 PolarHBondContact O-N 3.11Å; L21-V25 VanDerWaalsContact O-N 3.1Å; L21-L55 HydrophobicContact CD2-CD2 3.95Å; L21-L58 HydrophobicContact CD2-CD1 4.14Å; L21-L60 HydrophobicContact CD2-CD2 4.43Å; L21-I68 HydrophobicContact CD1-CB 4.24Å; L21-I68 HydrophobicContact CD1-CD1 4.44Å; L21-I68 HydrophobicContact CD1-CG2 3.83Å; L21-V69 HydrophobicContact CD1-CG2 4.48Å; L21-I87 HydrophobicContact CB-CD1 4.38Å; L21-I87 HydrophobicContact CB-CG2 3.74Å; L21-I87 HydrophobicContact CD1-CD1 4.18Å
22E96.6Very high91.6Very high17 Ų1740.6 Ų40.68%0.07923%0.229CC..Hα-helixtrans-61.8-44175.9-174.8-173.3-146.600111.2A18 E19 V20 I24 V25 S26 I87 I88 C91 H92 R95A18-E22 VanDerWaalsContact O-CB 3.28Å; A18-E22 WeakPolarHBondContact O-CB 3.14Å; A18-E22 PolarHBondContact O-N 3.03Å; E19-E22 PolarHBondContact O-N 2.74Å; V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 PolarHBondContact O-N 3.31Å; E22-I24 PolarHBondContact O-N 2.77Å; E22-V25 PolarHBondContact O-N 3.24Å; E22-S26 WeakPolarHBondContact O-CB 3.12Å; E22-S26 PolarHBondContact O-N 2.81Å; E22-S26 PolarHBondContact O-OG 2.77Å; E22-I87 HydrophobicContact CB-CG2 4.14Å; E22-I88 HydrophobicContact CG-CG1 4Å; E22-C91 HydrophobicContact CB-CB 4.25Å; E22-C91 PolarHBondContact OE2-SG 3.28Å; E22-C91 VanDerWaalsContact OE2-SG 3.4Å; E22-H92 IonicContact OE1-CE1 3.63Å; E22-H92 PolarHBondContact OE1-CE1 2.79Å; E22-H92 IonicContact OE1-ND1 3.59Å; E22-R95 IonicContact OE1-NH1 2.69Å; E22-R95 PolarHBondContact OE1-NH1 2.99Å; E22-R95 IonicContact OE2-CZ 3.22Å; E22-R95 IonicContact OE2-NH1 3.51Å; E22-R95 PolarHBondContact OE2-NH1 2.96Å; E22-R95 IonicContact OE2-NH2 2.99Å; E22-R95 PolarHBondContact OE2-NH2 3.37Å
23A93.6Very high91.6Very high67 Ų6735.4 Ų35.455%0.55421%0.208SC*.Hα-helixtrans-58.5-38.7177.600000111.8E19 V20 S26E19-A23 WeakPolarHBondContact O-CB 3.48Å; E19-A23 PolarHBondContact O-N 2.87Å; V20-A23 PolarHBondContact O-N 3.11Å; A23-S26 PolarHBondContact O-OG 3.13Å
24I91.8Very high91.7Very high53 Ų5343.3 Ų43.327%0.27223%0.232SC..Hα-helixtrans-66.6-50.1177.1-63.9166.1000110.9V20 L21 E22 C27 L58V20-I24 HydrophobicContact CG1-CD1 4.34Å; V20-I24 WeakPolarHBondContact O-CG1 3.17Å; V20-I24 PolarHBondContact O-N 2.86Å; L21-I24 PolarHBondContact O-N 3.12Å; E22-I24 PolarHBondContact O-N 2.77Å; I24-C27 PolarHBondContact O-SG 3.24Å; I24-L58 HydrophobicContact CD1-CD1 3.76Å; I24-L58 HydrophobicContact CD1-CD2 4.35Å
25V93.6Very high91.5Very high0 Ų046.6 Ų46.60%025%0.248CC..Hα-helixtrans-87-23.5-170.8-56.60000114.7L21 E22 C27 C28 L55 K84 I87L21-V25 WeakPolarHBondContact O-CG2 3.3Å; L21-V25 PolarHBondContact O-N 3.11Å; L21-V25 VanDerWaalsContact O-N 3.1Å; E22-V25 PolarHBondContact O-N 3.24Å; V25-C27 VanDerWaalsContact C-N 3.28Å; V25-C27 PolarHBondContact O-N 2.96Å; V25-C28 PolarHBondContact O-N 3.29Å; V25-C28 VanDerWaalsContact O-N 3.16Å; V25-L55 HydrophobicContact CG1-CD1 4.3Å; V25-L55 HydrophobicContact CG1-CD2 3.89Å; V25-L55 HydrophobicContact CG1-CG 4.01Å; V25-K84 HydrophobicContact CB-CG 4.26Å; V25-I87 HydrophobicContact CG2-CB 3.93Å; V25-I87 HydrophobicContact CG2-CG1 4.45Å; V25-I87 HydrophobicContact CG2-CG2 3.89Å
26S91.6Very high91.3Very high35 Ų3547.2 Ų47.225%0.24525%0.252CS..Hα-helixtrans-65.5-30.4-175.758.70000112.8E22 A23 C28 M29E22-S26 WeakPolarHBondContact O-CB 3.12Å; E22-S26 PolarHBondContact O-N 2.81Å; E22-S26 PolarHBondContact O-OG 2.77Å; A23-S26 PolarHBondContact O-OG 3.13Å; S26-C28 PolarHBondContact O-N 3.22Å; S26-M29 VanDerWaalsContact O-CB 3.31Å; S26-M29 WeakPolarHBondContact O-CB 3.23Å; S26-M29 PolarHBondContact O-N 2.69Å
27C88.1Confident91Very high55 Ų5547.1 Ų47.137%0.37225%0.254SS..THydrogen-bonded Turntrans-66.4-19.9177.272.20000113.5I24 V25 G33 R34 V36I24-C27 PolarHBondContact O-SG 3.24Å; V25-C27 VanDerWaalsContact C-N 3.28Å; V25-C27 PolarHBondContact O-N 2.96Å; C27-G33 WeakPolarHBondContact O-CA 3.27Å; C27-R34 PolarHBondContact O-N 2.85Å; C27-V36 VanDerWaalsContact SG-CG2 3.58Å
28C88.8Confident90.6Very high1 Ų148 Ų481%0.00726%0.261CS..THydrogen-bonded Turntrans-98.56.3179.1-61.90000113.2V25 S26 R34 V36 K84V25-C28 PolarHBondContact O-N 3.29Å; V25-C28 VanDerWaalsContact O-N 3.16Å; S26-C28 PolarHBondContact O-N 3.22Å; C28-R34 PolarHBondContact SG-O 2.96Å; C28-R34 VanDerWaalsContact SG-O 3.36Å; C28-V36 WeakPolarHBondContact SG-CG2 3.34Å; C28-K84 HydrophobicContact CB-CD 3.85Å; C28-K84 WeakPolarHBondContact O-CD 3.42Å; C28-K84 WeakPolarHBondContact O-CE 3.22Å
29M89.1Confident90.1Very high24 Ų2452.3 Ų52.312%0.11829%0.287CS..  trans-81.4133.2-170.4-162.2-88-170.500112S26 I88 I637 V640 L641S26-M29 VanDerWaalsContact O-CB 3.31Å; S26-M29 WeakPolarHBondContact O-CB 3.23Å; S26-M29 PolarHBondContact O-N 2.69Å; M29-I88 HydrophobicContact CB-CD1 4.42Å; M29-I88 HydrophobicContact CG-CD1 3.84Å; M29-I637 HydrophobicContact CE-CG2 3.58Å; M29-I637 WeakPolarHBondContact CE-O 3.44Å; M29-V640 HydrophobicContact CB-CG1 4.05Å; M29-V640 HydrophobicContact CG-CG1 4.12Å; M29-V640 HydrophobicContact SD-CG1 4.21Å; M29-L641 HydrophobicContact CE-CB 3.96Å; M29-L641 HydrophobicContact CE-CD1 4.37Å; M29-L641 HydrophobicContact SD-CB 3.76Å; M29-L641 HydrophobicContact SD-CD1 3.69Å; M29-L641 HydrophobicContact SD-CG 4.33Å
30G85.6Confident89.4Confident14 Ų1452.7 Ų52.714%0.14429%0.288CS..SBendtrans72.5-172.2176.200000115.2E32 G33G30-E32 VanDerWaalsContact C-N 3.28Å; G30-E32 PolarHBondContact O-N 3.09Å; G30-G33 PolarHBondContact O-N 3.2Å; G30-G33 VanDerWaalsContact O-N 3.13Å
31P83.4Confident88.7Confident28 Ų2855.4 Ų55.418%0.18231%0.308CS..THydrogen-bonded Turntrans-72.9-17.8-173.430.7-37.5000114C179 R184P31-C179 HydrophobicContact CB-CB 4.48Å; P31-C179 WeakPolarHBondContact CB-SG 3.33Å; P31-R184 PolarHBondContact O-NE 3.11Å
32E84.4Confident88.2Confident103 Ų10360.6 Ų60.648%0.48134%0.34SS..THydrogen-bonded Turntrans-97.17.7174-57.3-67.1179.900111.9G30 R184G30-E32 VanDerWaalsContact C-N 3.28Å; G30-E32 PolarHBondContact O-N 3.09Å; E32-R184 VanDerWaalsContact CD-NH1 3.35Å; E32-R184 IonicContact OE1-CZ 2.82Å; E32-R184 IonicContact OE1-NH1 3.55Å; E32-R184 PolarHBondContact OE1-NH1 3.15Å; E32-R184 IonicContact OE1-NH2 3.39Å; E32-R184 PolarHBondContact OE1-NH2 3.07Å; E32-R184 IonicContact OE2-CZ 3.17Å; E32-R184 IonicContact OE2-NE 2.65Å; E32-R184 IonicContact OE2-NH1 2.75Å; E32-R184 PolarHBondContact OE2-NH1 3.42Å; E32-R184 IonicContact OE2-NH2 2.86Å; E32-R184 PolarHBondContact OE2-NH2 3.02Å
33G86.6Confident87.6Confident7 Ų762.2 Ų62.27%0.07236%0.36CS..PPolyproline II helixtrans-59.2140.4177.800000111.6C27 G30 R49C27-G33 WeakPolarHBondContact O-CA 3.27Å; G30-G33 PolarHBondContact O-N 3.2Å; G30-G33 VanDerWaalsContact O-N 3.13Å; G33-R49 PolarHBondContact O-NH1 2.86Å
34R88.3Confident87Confident192 Ų19263.4 Ų63.473%0.72536%0.355SS*.PPolyproline II helixtrans-82.2157.1179.2-62.6-177.5-176.9179.3-0.1111.1C27 C28C27-R34 PolarHBondContact O-N 2.85Å; C28-R34 PolarHBondContact SG-O 2.96Å; C28-R34 VanDerWaalsContact SG-O 3.36Å
35Q88.6Confident86.7Confident69 Ų6964.3 Ų64.332%0.32236%0.362SS..PPolyproline II helixtrans-74.4135.2167.4-163.786.525.500108.4L47Q35-L47 HydrophobicContact CG-CD2 4.16Å
36V89.4Confident86.3Confident28 Ų2864.7 Ų64.717%0.1737%0.365CS..EExtended strand (participates in β ladder)trans-105.2135170.6172.10000109.2C27 C28 S48 L54C27-V36 VanDerWaalsContact SG-CG2 3.58Å; C28-V36 WeakPolarHBondContact SG-CG2 3.34Å; V36-S48 PolarHBondContact N-O 3.2Å; V36-S48 PolarHBondContact O-N 3.24Å; V36-L54 HydrophobicContact CB-CD1 4.05Å; V36-L54 HydrophobicContact CB-CD2 3.88Å; V36-L54 HydrophobicContact CG1-CD1 4.46Å; V36-L54 HydrophobicContact CG1-CD2 3.72Å; V36-L54 HydrophobicContact CG2-CD1 4.24Å
37L89.5Confident86.1Confident108 Ų10865.3 Ų65.357%0.56537%0.365SS*.EExtended strand (participates in β ladder)trans-110.2118.8174.1-173.8156.7000107.7V45 L46 L47L37-V45 HydrophobicContact CD1-CG1 4.04Å; L37-V45 HydrophobicContact CD2-CG1 3.94Å; L37-V45 HydrophobicContact CG-CG1 3.73Å; L37-L46 WeakPolarHBondContact CA-O 3.31Å; L37-L47 HydrophobicContact CB-CD2 3.87Å; L37-L47 HydrophobicContact CD1-CD2 3.91Å; L37-L47 HydrophobicContact CG-CD2 3.95Å
38C86.1Confident86.1Confident36 Ų3662.7 Ų62.724%0.24335%0.347CS..EExtended strand (participates in β ladder)trans-116.3132.3174.9-62.40000109.1L46C38-L46 HydrophobicContact CB-CB 4.22Å; C38-L46 HydrophobicContact CB-CD2 4.43Å; C38-L46 PolarHBondContact N-O 3.16Å; C38-L46 PolarHBondContact O-N 2.65Å
39T86.4Confident86.2Confident92 Ų9264.9 Ų64.956%0.56436%0.355SS*.EExtended strand (participates in β ladder)trans-107.8122.6175-45.10000108.8V45T39-V45 HydrophobicContact CG2-CG2 4.23Å
40K82.8Confident86.1Confident82 Ų8264.6 Ų64.636%0.35735%0.354SS..  trans-72.5157.8173.2-65.2-174.2-167.2162.80109.9T42 G43 E44K40-T42 WeakPolarHBondContact CB-OG1 3.49Å; K40-T42 PolarHBondContact O-N 3.37Å; K40-T42 VanDerWaalsContact O-N 3.07Å; K40-G43 PolarHBondContact O-N 2.92Å; K40-E44 HydrophobicContact CB-CB 4.32Å; K40-E44 HydrophobicContact CD-CB 4.23Å; K40-E44 WeakPolarHBondContact CD-OE2 3.39Å; K40-E44 PolarHBondContact N-O 3.29Å; K40-E44 IonicContact NZ-OE1 3.01Å; K40-E44 PolarHBondContact NZ-OE1 2.88Å; K40-E44 IonicContact NZ-OE2 3.47Å; K40-E44 PolarHBondContact NZ-OE2 2.71Å
41P82.2Confident86.4Confident148 Ų14863.9 Ų63.996%0.96135%0.347SS*.THydrogen-bonded Turntrans-56.8-23.1172.1-25.134.7000113.9G43P41-G43 PolarHBondContact O-N 3.37Å
42T85.8Confident86.8Confident114 Ų11462.7 Ų62.770%0.69934%0.34SS*.THydrogen-bonded Turntrans-71.5-7.7174.457.60000113.9K40 E44K40-T42 WeakPolarHBondContact CB-OG1 3.49Å; K40-T42 PolarHBondContact O-N 3.37Å; K40-T42 VanDerWaalsContact O-N 3.07Å; T42-E44 VanDerWaalsContact C-N 3.28Å; T42-E44 WeakPolarHBondContact OG1-CB 3.48Å; T42-E44 PolarHBondContact OG1-N 3.15Å
43G83.5Confident87.1Confident50 Ų5059.6 Ų59.652%0.51532%0.324SS..SBendtrans84.5-3.6-171.700000114.1K40 P41 V45K40-G43 PolarHBondContact O-N 2.92Å; P41-G43 PolarHBondContact O-N 3.37Å; G43-V45 PolarHBondContact O-N 2.94Å
44E82.4Confident87.4Confident92 Ų9259.4 Ų59.443%0.4332%0.321SS..PPolyproline II helixtrans-68.1128.7175.2-169.7-166.5152.600110.6K40 T42K40-E44 HydrophobicContact CB-CB 4.32Å; K40-E44 HydrophobicContact CD-CB 4.23Å; K40-E44 WeakPolarHBondContact CD-OE2 3.39Å; K40-E44 PolarHBondContact N-O 3.29Å; K40-E44 IonicContact NZ-OE1 3.01Å; K40-E44 PolarHBondContact NZ-OE1 2.88Å; K40-E44 IonicContact NZ-OE2 3.47Å; K40-E44 PolarHBondContact NZ-OE2 2.71Å; T42-E44 VanDerWaalsContact C-N 3.28Å; T42-E44 WeakPolarHBondContact OG1-CB 3.48Å; T42-E44 PolarHBondContact OG1-N 3.15Å
45V84.6Confident87.7Confident72 Ų7250.3 Ų50.344%0.43629%0.287SS..EExtended strand (participates in β ladder)trans-99.9120.4-180-178.80000110.2L37 T39 G43 L47L37-V45 HydrophobicContact CD1-CG1 4.04Å; L37-V45 HydrophobicContact CD2-CG1 3.94Å; L37-V45 HydrophobicContact CG-CG1 3.73Å; T39-V45 HydrophobicContact CG2-CG2 4.23Å; G43-V45 PolarHBondContact O-N 2.94Å; V45-L47 HydrophobicContact CG1-CG 4.47Å
46L85.6Confident87.8Confident9 Ų952.7 Ų52.75%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-95.4124170.3171.565000109.8L37 C38 R53 A57L37-L46 WeakPolarHBondContact CA-O 3.31Å; C38-L46 HydrophobicContact CB-CB 4.22Å; C38-L46 HydrophobicContact CB-CD2 4.43Å; C38-L46 PolarHBondContact N-O 3.16Å; C38-L46 PolarHBondContact O-N 2.65Å; L46-R53 HydrophobicContact CD1-CG 4.24Å; L46-R53 VanDerWaalsContact CD1-CZ 3.42Å; L46-A57 HydrophobicContact CD2-CB 3.34Å
47L86.2Confident87.9Confident48 Ų4853.4 Ų53.425%0.25131%0.307SS..EExtended strand (participates in β ladder)trans-110.9116.8169.8-77.4167.6000108.8Q35 L37 V45 V403Q35-L47 HydrophobicContact CG-CD2 4.16Å; L37-L47 HydrophobicContact CB-CD2 3.87Å; L37-L47 HydrophobicContact CD1-CD2 3.91Å; L37-L47 HydrophobicContact CG-CD2 3.95Å; V45-L47 HydrophobicContact CG1-CG 4.47Å; L47-V403 HydrophobicContact CD1-CG2 4.44Å
48S88.6Confident87.9Confident0 Ų050.7 Ų50.70%029%0.293CS..EExtended strand (participates in β ladder)trans-151.6146.8179.7-159.70000114.3V36 N50 Q409V36-S48 PolarHBondContact N-O 3.2Å; V36-S48 PolarHBondContact O-N 3.24Å; S48-N50 WeakPolarHBondContact OG-CB 3.32Å; S48-N50 PolarHBondContact OG-N 3.45Å; S48-Q409 VanDerWaalsContact CA-OE1 3.31Å
49R90.1Very high88.2Confident46 Ų4656.8 Ų56.817%0.17432%0.317CS..  trans-106.3-4.4161.4-59.7174.8174.3-127.4-7.5112.3G33 G51 K84 R181G33-R49 PolarHBondContact O-NH1 2.86Å; R49-G51 PolarHBondContact O-N 3.28Å; R49-K84 PolarHBondContact O-NZ 3.46Å; R49-R181 WeakPolarHBondContact CB-O 3.5Å
50N88.6Confident88.5Confident18 Ų1854.3 Ų54.310%0.09630%0.3CS..  trans-80.9115.5-178.5-171-16.9000109.5S48 G52 R53 L54S48-N50 WeakPolarHBondContact OG-CB 3.32Å; S48-N50 PolarHBondContact OG-N 3.45Å; N50-G52 VanDerWaalsContact C-N 3.28Å; N50-G52 PolarHBondContact O-N 2.9Å; N50-G52 PolarHBondContact OD1-N 3.44Å; N50-G52 VanDerWaalsContact OD1-N 3.14Å; N50-R53 HydrophobicContact CB-CB 4.19Å; N50-R53 PolarHBondContact O-N 2.95Å; N50-L54 WeakPolarHBondContact O-CG 3.47Å; N50-L54 PolarHBondContact O-N 3.01Å
51G91.3Very high88.8Confident0 Ų058 Ų580%032%0.319CS..Hα-helixtrans-60.7-35.7-177.500000113R49 L54 L55R49-G51 PolarHBondContact O-N 3.28Å; G51-L54 PolarHBondContact O-N 3.19Å; G51-L55 WeakPolarHBondContact O-CD1 3.13Å; G51-L55 WeakPolarHBondContact O-CG 3.42Å; G51-L55 PolarHBondContact O-N 2.78Å
52G91.9Very high89.2Confident3 Ų354.6 Ų54.63%0.03129%0.29CS..Hα-helixtrans-62.2-5317800000111.7N50 L54 L55 E56 L76N50-G52 VanDerWaalsContact C-N 3.28Å; N50-G52 PolarHBondContact O-N 2.9Å; N50-G52 PolarHBondContact OD1-N 3.44Å; N50-G52 VanDerWaalsContact OD1-N 3.14Å; G52-L54 VanDerWaalsContact C-N 3.3Å; G52-L54 PolarHBondContact O-N 2.89Å; G52-L55 PolarHBondContact O-N 3.36Å; G52-L55 VanDerWaalsContact O-N 3.12Å; G52-E56 WeakPolarHBondContact O-CG 3.43Å; G52-E56 PolarHBondContact O-N 3.3Å; G52-L76 VanDerWaalsContact CA-CD1 3.43Å
53R90.6Very high89.4Confident38 Ų3851.6 Ų51.614%0.14327%0.272CS..Hα-helixtrans-61.1-38.5178.6-165.4-175.4-173.4175.1-15.2113L46 N50 A57 E408 Q409 D412L46-R53 HydrophobicContact CD1-CG 4.24Å; L46-R53 VanDerWaalsContact CD1-CZ 3.42Å; N50-R53 HydrophobicContact CB-CB 4.19Å; N50-R53 PolarHBondContact O-N 2.95Å; R53-A57 WeakPolarHBondContact O-CB 3.24Å; R53-A57 PolarHBondContact O-N 3.45Å; R53-A57 VanDerWaalsContact O-N 3.11Å; R53-E408 IonicContact CZ-OE2 3.49Å; R53-E408 IonicContact NH2-OE2 3.77Å; R53-E408 PolarHBondContact NH2-OE2 3.38Å; R53-Q409 VanDerWaalsContact NH1-N 3.11Å; R53-D412 WeakPolarHBondContact CD-OD2 3.36Å; R53-D412 IonicContact CZ-OD2 2.77Å; R53-D412 IonicContact NE-OD2 3.77Å; R53-D412 PolarHBondContact NE-OD2 3.32Å; R53-D412 IonicContact NH1-OD2 3.06Å; R53-D412 PolarHBondContact NH1-OD2 2.9Å
54L92.1Very high89.8Confident2 Ų249.6 Ų49.61%0.0125%0.25CC..Hα-helixtrans-62.1-45.3175.2-71.8174.9000111.2V36 N50 G51 G52 A57 L58V36-L54 HydrophobicContact CB-CD1 4.05Å; V36-L54 HydrophobicContact CB-CD2 3.88Å; V36-L54 HydrophobicContact CG1-CD1 4.46Å; V36-L54 HydrophobicContact CG1-CD2 3.72Å; V36-L54 HydrophobicContact CG2-CD1 4.24Å; N50-L54 WeakPolarHBondContact O-CG 3.47Å; N50-L54 PolarHBondContact O-N 3.01Å; G51-L54 PolarHBondContact O-N 3.19Å; G52-L54 VanDerWaalsContact C-N 3.3Å; G52-L54 PolarHBondContact O-N 2.89Å; L54-A57 PolarHBondContact O-N 3.41Å; L54-L58 WeakPolarHBondContact O-CG 3.14Å
55L94.4Very high90.4Very high1 Ų145.5 Ų45.51%0.00523%0.232CC..Hα-helixtrans-66.5-40.6179.4-68.3168.2000112.3L21 V25 G51 G52 A57 L58 V69 V72 I87L21-L55 HydrophobicContact CD2-CD2 3.95Å; V25-L55 HydrophobicContact CG1-CD1 4.3Å; V25-L55 HydrophobicContact CG1-CD2 3.89Å; V25-L55 HydrophobicContact CG1-CG 4.01Å; G51-L55 WeakPolarHBondContact O-CD1 3.13Å; G51-L55 WeakPolarHBondContact O-CG 3.42Å; G51-L55 PolarHBondContact O-N 2.78Å; G52-L55 PolarHBondContact O-N 3.36Å; G52-L55 VanDerWaalsContact O-N 3.12Å; L55-A57 VanDerWaalsContact C-N 3.26Å; L55-A57 PolarHBondContact O-N 2.91Å; L55-L58 HydrophobicContact CD2-CD1 4.16Å; L55-L58 WeakPolarHBondContact O-CB 3.4Å; L55-L58 PolarHBondContact O-N 2.92Å; L55-V69 HydrophobicContact CB-CG1 4.1Å; L55-V69 HydrophobicContact CB-CG2 4.08Å; L55-V69 HydrophobicContact CD2-CG2 4.16Å; L55-V72 HydrophobicContact CD1-CB 4.43Å; L55-V72 HydrophobicContact CD1-CG1 3.92Å; L55-V72 HydrophobicContact CD1-CG2 4.4Å; L55-I87 HydrophobicContact CD1-CD1 4.27Å; L55-I87 HydrophobicContact CD1-CG1 3.92Å
56E91.9Very high90.9Very high120 Ų12048.2 Ų48.256%0.56123%0.234SC*.Hα-helixtrans-66.9-26.6177.6-73172.6176.900112.9G52 L58 S73G52-E56 WeakPolarHBondContact O-CG 3.43Å; G52-E56 PolarHBondContact O-N 3.3Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-S73 PolarHBondContact OE1-OG 2.87Å
57A90.5Very high91.3Very high42 Ų4249.8 Ų49.835%0.34724%0.242SC..THydrogen-bonded Turntrans-78.8-10.9176.500000114L46 R53 L54 L55L46-A57 HydrophobicContact CD2-CB 3.34Å; R53-A57 WeakPolarHBondContact O-CB 3.24Å; R53-A57 PolarHBondContact O-N 3.45Å; R53-A57 VanDerWaalsContact O-N 3.11Å; L54-A57 PolarHBondContact O-N 3.41Å; L55-A57 VanDerWaalsContact C-N 3.26Å; L55-A57 PolarHBondContact O-N 2.91Å
58L91.1Very high91.9Very high52 Ų5247.6 Ų47.627%0.27223%0.23SC..SBendtrans-77.7139.2-178.7-61.5175.7000111.6L21 I24 L54 L55 E56 L60L21-L58 HydrophobicContact CD2-CD1 4.14Å; I24-L58 HydrophobicContact CD1-CD1 3.76Å; I24-L58 HydrophobicContact CD1-CD2 4.35Å; L54-L58 WeakPolarHBondContact O-CG 3.14Å; L55-L58 HydrophobicContact CD2-CD1 4.16Å; L55-L58 WeakPolarHBondContact O-CB 3.4Å; L55-L58 PolarHBondContact O-N 2.92Å; E56-L58 VanDerWaalsContact C-N 3.3Å; L58-L60 HydrophobicContact CB-CD2 3.73Å; L58-L60 HydrophobicContact CB-CG 4.11Å; L58-L60 HydrophobicContact CD1-CD2 4.16Å; L58-L60 PolarHBondContact O-N 3.32Å
59H91Very high92.3Very high164 Ų16448 Ų4876%0.75923%0.232SC*.  trans-83.294.7168-173.972.1000110.5Q61H59-Q61 PolarHBondContact O-N 2.73Å
60L92.4Very high92.6Very high39 Ų3950.9 Ų50.920%0.20425%0.251CS..  trans-89.8105.6-173.2-57.3172.4000112.1L21 L58 A65 R66 V69L21-L60 HydrophobicContact CD2-CD2 4.43Å; L58-L60 HydrophobicContact CB-CD2 3.73Å; L58-L60 HydrophobicContact CB-CG 4.11Å; L58-L60 HydrophobicContact CD1-CD2 4.16Å; L58-L60 PolarHBondContact O-N 3.32Å; L60-A65 HydrophobicContact CB-CB 4.48Å; L60-A65 HydrophobicContact CD2-CB 4.15Å; L60-R66 HydrophobicContact CB-CG 3.67Å; L60-R66 HydrophobicContact CD1-CG 4.36Å; L60-R66 WeakPolarHBondContact O-CD 3.29Å; L60-V69 HydrophobicContact CD1-CB 3.66Å; L60-V69 HydrophobicContact CD1-CG1 4.04Å; L60-V69 HydrophobicContact CD1-CG2 3.51Å
61Q89.5Confident93.1Very high160 Ų16050.9 Ų50.975%0.74825%0.252SS*.  trans-80.1-39174.8-65-178.1-300112.4H59H59-Q61 PolarHBondContact O-N 2.73Å
62H90.1Very high93.4Very high76 Ų7650.9 Ų50.935%0.35225%0.252SS..SBendtrans-72129.5-174.3-165.2-78.3000111.8V17 I64 A65 R66V17-H62 HydrophobicContact CG2-CB 4.45Å; H62-I64 WeakPolarHBondContact ND1-CB 3.15Å; H62-I64 PolarHBondContact ND1-N 3.03Å; H62-I64 VanDerWaalsContact ND1-N 3.16Å; H62-I64 PolarHBondContact O-N 2.91Å; H62-A65 HydrophobicContact CB-CB 4Å; H62-A65 WeakPolarHBondContact O-CB 3.47Å; H62-A65 PolarHBondContact O-N 3.4Å; H62-R66 PolarHBondContact O-N 2.95Å; H62-R66 VanDerWaalsContact O-N 3.13Å
63P91.1Very high93.6Very high51 Ų5151.6 Ų51.633%0.33126%0.257SS..Hα-helixtrans-63.4-39-175.922.5-31.5000113.3A65 R66 M67 V701P63-A65 VanDerWaalsContact C-N 3.28Å; P63-A65 PolarHBondContact O-N 3.48Å; P63-R66 PolarHBondContact O-N 3.14Å; P63-M67 PolarHBondContact O-N 3.44Å; P63-V701 HydrophobicContact CG-CG1 3.69Å
64I91.9Very high93.9Very high9 Ų952.8 Ų52.85%0.04627%0.271CS..Hα-helixtrans-63.5-35.5174.4-57.5179.5000111.1A14 H62 M67 I68A14-I64 HydrophobicContact CB-CD1 4.2Å; A14-I64 HydrophobicContact CB-CG2 4.21Å; H62-I64 WeakPolarHBondContact ND1-CB 3.15Å; H62-I64 PolarHBondContact ND1-N 3.03Å; H62-I64 VanDerWaalsContact ND1-N 3.16Å; H62-I64 PolarHBondContact O-N 2.91Å; I64-M67 HydrophobicContact CG2-CE 4.49Å; I64-M67 PolarHBondContact O-N 3.23Å; I64-I68 HydrophobicContact CG2-CD1 3.81Å; I64-I68 HydrophobicContact CG2-CG1 4.24Å; I64-I68 VanDerWaalsContact O-CG1 3.27Å; I64-I68 WeakPolarHBondContact O-CG1 3.46Å; I64-I68 PolarHBondContact O-N 3.31Å
65A94.9Very high94.1Very high6 Ų653 Ų535%0.0527%0.272CS..Hα-helixtrans-66.7-44179.100000110.9V17 L60 H62 P63 I68 V69V17-A65 HydrophobicContact CG1-CB 3.56Å; L60-A65 HydrophobicContact CB-CB 4.48Å; L60-A65 HydrophobicContact CD2-CB 4.15Å; H62-A65 HydrophobicContact CB-CB 4Å; H62-A65 WeakPolarHBondContact O-CB 3.47Å; H62-A65 PolarHBondContact O-N 3.4Å; P63-A65 VanDerWaalsContact C-N 3.28Å; P63-A65 PolarHBondContact O-N 3.48Å; A65-I68 PolarHBondContact O-N 3.26Å; A65-V69 WeakPolarHBondContact O-CG2 3.45Å; A65-V69 PolarHBondContact O-N 2.96Å
66R95.2Very high94.2Very high129 Ų12954 Ų5449%0.48728%0.278SS..Hα-helixtrans-57.3-50.5173.2-72.8-174-78153-5.1111.3L60 H62 P63 I68 V69 D70L60-R66 HydrophobicContact CB-CG 3.67Å; L60-R66 HydrophobicContact CD1-CG 4.36Å; L60-R66 WeakPolarHBondContact O-CD 3.29Å; H62-R66 PolarHBondContact O-N 2.95Å; H62-R66 VanDerWaalsContact O-N 3.13Å; P63-R66 PolarHBondContact O-N 3.14Å; R66-I68 VanDerWaalsContact C-N 3.35Å; R66-I68 PolarHBondContact O-N 3.35Å; R66-V69 PolarHBondContact O-N 2.91Å; R66-D70 WeakPolarHBondContact O-CB 3.4Å; R66-D70 PolarHBondContact O-N 3.08Å
67M95.1Very high94.2Very high42 Ų4255.6 Ų55.621%0.20728%0.283CS..Hα-helixtrans-59.1-42.6178.1-175.1-171.670.200113P63 I64 D70 C71 K694 I695 I698P63-M67 PolarHBondContact O-N 3.44Å; I64-M67 HydrophobicContact CG2-CE 4.49Å; I64-M67 PolarHBondContact O-N 3.23Å; M67-D70 PolarHBondContact O-N 3.19Å; M67-C71 PolarHBondContact O-N 3.33Å; M67-C71 PolarHBondContact O-SG 2.97Å; M67-K694 HydrophobicContact SD-CB 4.28Å; M67-I695 HydrophobicContact CE-CB 4.26Å; M67-I695 HydrophobicContact CE-CD1 4.23Å; M67-I695 HydrophobicContact CE-CG1 3.22Å; M67-I698 HydrophobicContact CE-CD1 3.88Å; M67-I698 HydrophobicContact SD-CD1 3.93Å
68I97.3Very high94.2Very high1 Ų160.2 Ų60.21%0.00530%0.295CS..Hα-helixtrans-62.3-47.3176.7-71.2169.9000110.2V17 L21 I64 A65 R66 D70 C71 V72 I87 L90 I695V17-I68 HydrophobicContact CG1-CD1 4.16Å; L21-I68 HydrophobicContact CD1-CB 4.24Å; L21-I68 HydrophobicContact CD1-CD1 4.44Å; L21-I68 HydrophobicContact CD1-CG2 3.83Å; I64-I68 HydrophobicContact CG2-CD1 3.81Å; I64-I68 HydrophobicContact CG2-CG1 4.24Å; I64-I68 VanDerWaalsContact O-CG1 3.27Å; I64-I68 WeakPolarHBondContact O-CG1 3.46Å; I64-I68 PolarHBondContact O-N 3.31Å; A65-I68 PolarHBondContact O-N 3.26Å; R66-I68 VanDerWaalsContact C-N 3.35Å; R66-I68 PolarHBondContact O-N 3.35Å; I68-D70 PolarHBondContact O-N 3.06Å; I68-C71 WeakPolarHBondContact O-CB 3.27Å; I68-C71 PolarHBondContact O-N 2.86Å; I68-V72 WeakPolarHBondContact O-CG2 3.26Å; I68-V72 PolarHBondContact O-N 2.81Å; I68-I87 HydrophobicContact CG2-CD1 3.38Å; I68-L90 HydrophobicContact CD1-CD2 3.91Å; I68-L90 HydrophobicContact CG1-CD2 3.89Å; I68-L90 HydrophobicContact CG2-CD2 3.97Å; I68-I695 HydrophobicContact CD1-CD1 4.13Å; I68-I695 HydrophobicContact CG1-CD1 4.03Å
69V97.8Very high94.2Very high8 Ų858 Ų585%0.04828%0.283CS..Hα-helixtrans-65.6-38.4179.6172.40000111.4L21 L55 L60 A65 R66 C71 V72 S73L21-V69 HydrophobicContact CD1-CG2 4.48Å; L55-V69 HydrophobicContact CB-CG1 4.1Å; L55-V69 HydrophobicContact CB-CG2 4.08Å; L55-V69 HydrophobicContact CD2-CG2 4.16Å; L60-V69 HydrophobicContact CD1-CB 3.66Å; L60-V69 HydrophobicContact CD1-CG1 4.04Å; L60-V69 HydrophobicContact CD1-CG2 3.51Å; A65-V69 WeakPolarHBondContact O-CG2 3.45Å; A65-V69 PolarHBondContact O-N 2.96Å; R66-V69 PolarHBondContact O-N 2.91Å; V69-C71 VanDerWaalsContact C-N 3.33Å; V69-C71 PolarHBondContact O-N 2.93Å; V69-V72 CarbonylContact O-C 3.48Å; V69-V72 WeakPolarHBondContact O-CB 3.49Å; V69-V72 PolarHBondContact O-N 3.46Å; V69-V72 VanDerWaalsContact O-N 3.11Å; V69-S73 PolarHBondContact O-N 3.01Å; V69-S73 PolarHBondContact O-OG 3.47Å
70D97.1Very high94.2Very high107 Ų10750.5 Ų50.557%0.57225%0.251SS*.Hα-helixtrans-61.2-40.2173-66.3-27.4000112R66 M67 I68 V72 S73 S74R66-D70 WeakPolarHBondContact O-CB 3.4Å; R66-D70 PolarHBondContact O-N 3.08Å; M67-D70 PolarHBondContact O-N 3.19Å; I68-D70 PolarHBondContact O-N 3.06Å; D70-V72 VanDerWaalsContact C-N 3.34Å; D70-S73 PolarHBondContact O-N 3.37Å; D70-S74 WeakPolarHBondContact O-CB 3.47Å; D70-S74 PolarHBondContact O-N 3.44Å
71C97.3Very high94.1Very high18 Ų1851.1 Ų51.112%0.12226%0.255CS..Hα-helixtrans-63.7-40.7173.7-65.90000111.5M67 I68 V69 S74 H75 F86 C691M67-C71 PolarHBondContact O-N 3.33Å; M67-C71 PolarHBondContact O-SG 2.97Å; I68-C71 WeakPolarHBondContact O-CB 3.27Å; I68-C71 PolarHBondContact O-N 2.86Å; V69-C71 VanDerWaalsContact C-N 3.33Å; V69-C71 PolarHBondContact O-N 2.93Å; C71-S74 PolarHBondContact O-N 2.86Å; C71-H75 WeakPolarHBondContact O-CB 3.38Å; C71-H75 PolarHBondContact O-N 2.86Å; C71-F86 HydrophobicContact CB-CE1 4.49Å; C71-F86 HydrophobicContact CB-CZ 3.87Å; C71-C691 HydrophobicContact CB-CB 4.01Å; C71-C691 VanDerWaalsContact SG-SG 3.65Å
72V97.9Very high94.3Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-64.4-46.6175.5172.80000111.3L55 I68 V69 D70 S74 H75 L76 A83 F86 I87L55-V72 HydrophobicContact CD1-CB 4.43Å; L55-V72 HydrophobicContact CD1-CG1 3.92Å; L55-V72 HydrophobicContact CD1-CG2 4.4Å; I68-V72 WeakPolarHBondContact O-CG2 3.26Å; I68-V72 PolarHBondContact O-N 2.81Å; V69-V72 CarbonylContact O-C 3.48Å; V69-V72 WeakPolarHBondContact O-CB 3.49Å; V69-V72 PolarHBondContact O-N 3.46Å; V69-V72 VanDerWaalsContact O-N 3.11Å; D70-V72 VanDerWaalsContact C-N 3.34Å; V72-S74 VanDerWaalsContact C-N 3.32Å; V72-S74 PolarHBondContact O-N 2.9Å; V72-H75 WeakPolarHBondContact O-CB 3.49Å; V72-H75 PolarHBondContact O-N 3.14Å; V72-L76 HydrophobicContact CG1-CD1 3.97Å; V72-L76 HydrophobicContact CG1-CG 4.3Å; V72-L76 WeakPolarHBondContact O-CG 3.35Å; V72-L76 PolarHBondContact O-N 2.92Å; V72-A83 HydrophobicContact CG1-CB 3.66Å; V72-F86 HydrophobicContact CG2-CB 4.24Å; V72-F86 HydrophobicContact CG2-CD1 3.44Å; V72-F86 VanDerWaalsContact CG2-CD1 3.44Å; V72-F86 HydrophobicContact CG2-CD2 4.32Å; V72-F86 HydrophobicContact CG2-CE1 3.79Å; V72-F86 HydrophobicContact CG2-CG 3.75Å; V72-F86 HydrophobicContact CG2-CZ 4.35Å; V72-I87 HydrophobicContact CG2-CD1 3.8Å; V72-I87 HydrophobicContact CG2-CG1 4.26Å
73S97Very high94.6Very high19 Ų1940.2 Ų40.213%0.13321%0.205CC..Hα-helixtrans-64-38177.9-67.30000111.4E56 V69 D70 L76 K77E56-S73 PolarHBondContact OE1-OG 2.87Å; V69-S73 PolarHBondContact O-N 3.01Å; V69-S73 PolarHBondContact O-OG 3.47Å; D70-S73 PolarHBondContact O-N 3.37Å; S73-L76 PolarHBondContact O-N 2.91Å; S73-K77 VanDerWaalsContact O-CG 3.3Å; S73-K77 WeakPolarHBondContact O-CG 3.46Å; S73-K77 PolarHBondContact O-N 2.8Å
74S96.7Very high94.8Very high63 Ų6338.7 Ų38.744%0.44119%0.193SC..Hα-helixtrans-62.3-41.7172.7-171.90000112.3D70 C71 V72D70-S74 WeakPolarHBondContact O-CB 3.47Å; D70-S74 PolarHBondContact O-N 3.44Å; C71-S74 PolarHBondContact O-N 2.86Å; V72-S74 VanDerWaalsContact C-N 3.32Å; V72-S74 PolarHBondContact O-N 2.9Å
75H96.2Very high95Very high6 Ų639.1 Ų39.13%0.02820%0.197CC..Hα-helixtrans-62.1-51.2174.6176.474.4000111.3C71 V72 K77 K78 T79 D81 F86 L684 S687C71-H75 WeakPolarHBondContact O-CB 3.38Å; C71-H75 PolarHBondContact O-N 2.86Å; V72-H75 WeakPolarHBondContact O-CB 3.49Å; V72-H75 PolarHBondContact O-N 3.14Å; H75-K77 VanDerWaalsContact C-N 3.3Å; H75-K77 PolarHBondContact O-N 3.39Å; H75-K78 PolarHBondContact O-N 2.87Å; H75-T79 PolarHBondContact CD2-OG1 3.08Å; H75-T79 WeakPolarHBondContact CE1-CG2 3.38Å; H75-T79 PolarHBondContact NE2-OG1 3.4Å; H75-T79 VanDerWaalsContact NE2-OG1 3.08Å; H75-T79 PolarHBondContact O-N 2.99Å; H75-T79 PolarHBondContact O-OG1 3.44Å; H75-T79 VanDerWaalsContact O-OG1 3.05Å; H75-D81 PolarHBondContact CD2-O 3.44Å; H75-D81 PolarHBondContact NE2-O 2.97Å; H75-F86 HydrophobicContact CB-CD2 4.33Å; H75-F86 HydrophobicContact CB-CE2 4.29Å; H75-L684 WeakPolarHBondContact CE1-CA 3.47Å; H75-L684 PolarHBondContact CE1-N 3Å; H75-S687 WeakPolarHBondContact ND1-CB 3.34Å; H75-S687 PolarHBondContact ND1-OG 2.8Å
76L95.5Very high95.2Very high23 Ų2338.9 Ų38.912%0.1219%0.194CC..Hα-helixtrans-61.2-34.8-179.5-73.1172.1000113.5G52 V72 S73 K78 T79 G80 D81 A83G52-L76 VanDerWaalsContact CA-CD1 3.43Å; V72-L76 HydrophobicContact CG1-CD1 3.97Å; V72-L76 HydrophobicContact CG1-CG 4.3Å; V72-L76 WeakPolarHBondContact O-CG 3.35Å; V72-L76 PolarHBondContact O-N 2.92Å; S73-L76 PolarHBondContact O-N 2.91Å; L76-K78 PolarHBondContact O-N 3.2Å; L76-T79 PolarHBondContact O-N 3.38Å; L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.49Å; L76-D81 WeakPolarHBondContact CD2-O 3.46Å; L76-A83 HydrophobicContact CD1-CB 3.97Å; L76-A83 HydrophobicContact CD2-CB 4.04Å; L76-A83 HydrophobicContact CG-CB 4.26Å
77K92.9Very high95.3Very high153 Ų15332.8 Ų32.867%0.66517%0.172SC*.Hα-helixtrans-57.5-31.7173.9-79.1175.7-178.3-175.50112.1S73 H75S73-K77 VanDerWaalsContact O-CG 3.3Å; S73-K77 WeakPolarHBondContact O-CG 3.46Å; S73-K77 PolarHBondContact O-N 2.8Å; H75-K77 VanDerWaalsContact C-N 3.3Å; H75-K77 PolarHBondContact O-N 3.39Å
78K90.1Very high95.4Very high138 Ų13830.8 Ų30.860%0.616%0.162SC*.Hα-helixtrans-90.8-41.9179.1-63.7-178.7-179.9-178.40112.9H75 L76 Q423H75-K78 PolarHBondContact O-N 2.87Å; L76-K78 PolarHBondContact O-N 3.2Å; K78-Q423 WeakPolarHBondContact O-CG 3.23Å; K78-Q423 PolarHBondContact O-NE2 2.9Å
79T91.8Very high95.5Very high5 Ų530.9 Ų30.93%0.03116%0.162CC..Hα-helixtrans-104.7-24.8-166.564.50000114.3H75 L76 D81 M420 Q683H75-T79 PolarHBondContact CD2-OG1 3.08Å; H75-T79 WeakPolarHBondContact CE1-CG2 3.38Å; H75-T79 PolarHBondContact NE2-OG1 3.4Å; H75-T79 VanDerWaalsContact NE2-OG1 3.08Å; H75-T79 PolarHBondContact O-N 2.99Å; H75-T79 PolarHBondContact O-OG1 3.44Å; H75-T79 VanDerWaalsContact O-OG1 3.05Å; L76-T79 PolarHBondContact O-N 3.38Å; T79-D81 PolarHBondContact O-N 2.63Å; T79-D81 VanDerWaalsContact O-N 3.11Å; T79-D81 PolarHBondContact OG1-N 3.24Å; T79-D81 PolarHBondContact OG1-O 2.83Å; T79-M420 VanDerWaalsContact O-CA 3.27Å; T79-M420 WeakPolarHBondContact O-CA 3.35Å; T79-M420 PolarHBondContact O-N 3.15Å; T79-Q683 HydrophobicContact CG2-CB 4.05Å
80G91.1Very high95.5Very high8 Ų830.5 Ų30.58%0.08216%0.16CC..SBendtrans64.93.7-172.500000115.4L76 Y177 G416L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.49Å; G80-Y177 PolarHBondContact O-OH 2.92Å; G80-G416 WeakPolarHBondContact CA-O 3.5Å
81D90.7Very high95.5Very high52 Ų5225.4 Ų25.428%0.27813%0.133SC..  trans-141.8172.6179.4-155-30000110.4H75 L76 T79 Y177 R181H75-D81 PolarHBondContact CD2-O 3.44Å; H75-D81 PolarHBondContact NE2-O 2.97Å; L76-D81 WeakPolarHBondContact CD2-O 3.46Å; T79-D81 PolarHBondContact O-N 2.63Å; T79-D81 VanDerWaalsContact O-N 3.11Å; T79-D81 PolarHBondContact OG1-N 3.24Å; T79-D81 PolarHBondContact OG1-O 2.83Å; D81-Y177 HydrophobicContact CB-CE2 3.97Å; D81-Y177 WeakPolarHBondContact OD2-CD2 3.43Å; D81-Y177 VanDerWaalsContact OD2-CE2 3.3Å; D81-Y177 WeakPolarHBondContact OD2-CE2 3.34Å; D81-R181 IonicContact OD1-CZ 3.18Å; D81-R181 IonicContact OD1-NH1 3.23Å; D81-R181 PolarHBondContact OD1-NH1 3.14Å; D81-R181 IonicContact OD1-NH2 3.37Å; D81-R181 PolarHBondContact OD1-NH2 3.19Å; D81-R181 IonicContact OD2-CZ 3.63Å; D81-R181 IonicContact OD2-NH1 3.39Å; D81-R181 PolarHBondContact OD2-NH1 3.36Å; D81-R181 IonicContact OD2-NH2 3.47Å; D81-R181 PolarHBondContact OD2-NH2 3.4Å
82G93.7Very high95.5Very high4 Ų426.2 Ų26.24%0.04113%0.134CC..  trans107.1-15.8161.600000114.3K84 T85 F86G82-K84 PolarHBondContact O-N 2.86Å; G82-T85 CarbonylContact O-C 3.56Å; G82-T85 PolarHBondContact O-N 3.28Å; G82-F86 WeakPolarHBondContact O-CB 3.37Å; G82-F86 PolarHBondContact O-N 2.87Å
83A95.7Very high95.5Very high3 Ų326.2 Ų26.23%0.02514%0.135CC..Hα-helixtrans-50.1-49.2-172.500000115V72 L76 F86 I87V72-A83 HydrophobicContact CG1-CB 3.66Å; L76-A83 HydrophobicContact CD1-CB 3.97Å; L76-A83 HydrophobicContact CD2-CB 4.04Å; L76-A83 HydrophobicContact CG-CB 4.26Å; A83-F86 WeakPolarHBondContact O-CB 3.28Å; A83-F86 PolarHBondContact O-N 2.71Å; A83-I87 WeakPolarHBondContact O-CG1 3.19Å; A83-I87 PolarHBondContact O-N 2.85Å
84K95.3Very high95.4Very high18 Ų1825.3 Ų25.38%0.07813%0.128CC..Hα-helixtrans-64.5-48.2-180-59-170.7-79.8-92.90110.6V25 C28 R49 G82 F86 I87 I88 G180V25-K84 HydrophobicContact CB-CG 4.26Å; C28-K84 HydrophobicContact CB-CD 3.85Å; C28-K84 WeakPolarHBondContact O-CD 3.42Å; C28-K84 WeakPolarHBondContact O-CE 3.22Å; R49-K84 PolarHBondContact O-NZ 3.46Å; G82-K84 PolarHBondContact O-N 2.86Å; K84-F86 VanDerWaalsContact C-N 3.29Å; K84-F86 PolarHBondContact O-N 2.81Å; K84-I87 PolarHBondContact O-N 2.89Å; K84-I88 WeakPolarHBondContact O-CD1 3.48Å; K84-I88 VanDerWaalsContact O-CG1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.32Å; K84-I88 PolarHBondContact O-N 3.11Å; K84-I88 VanDerWaalsContact O-N 3.08Å; K84-G180 PolarHBondContact NZ-O 3.36Å
85T96.3Very high95.3Very high19 Ų1926.1 Ų26.112%0.11712%0.121CC..Hα-helixtrans-63.2-36.3179.3-44.40000111.7G82 F89 I637 L684G82-T85 CarbonylContact O-C 3.56Å; G82-T85 PolarHBondContact O-N 3.28Å; T85-F89 WeakPolarHBondContact O-CB 3.44Å; T85-F89 PolarHBondContact O-N 2.77Å; T85-I637 HydrophobicContact CG2-CB 4.44Å; T85-I637 HydrophobicContact CG2-CD1 3.35Å; T85-I637 HydrophobicContact CG2-CG1 3.68Å; T85-I637 HydrophobicContact CG2-CG2 3.88Å; T85-L684 HydrophobicContact CG2-CD2 3.45Å; T85-L684 VanDerWaalsContact CG2-CD2 3.45Å
86F98.1Very high95.1Very high0 Ų026.9 Ų26.90%013%0.131CC..Hα-helixtrans-58.6-55177.1-171.9-67.2000110.5C71 V72 H75 G82 A83 K84 F89 L90 L684 V688 C691C71-F86 HydrophobicContact CB-CE1 4.49Å; C71-F86 HydrophobicContact CB-CZ 3.87Å; V72-F86 HydrophobicContact CG2-CB 4.24Å; V72-F86 HydrophobicContact CG2-CD1 3.44Å; V72-F86 VanDerWaalsContact CG2-CD1 3.44Å; V72-F86 HydrophobicContact CG2-CD2 4.32Å; V72-F86 HydrophobicContact CG2-CE1 3.79Å; V72-F86 HydrophobicContact CG2-CG 3.75Å; V72-F86 HydrophobicContact CG2-CZ 4.35Å; H75-F86 HydrophobicContact CB-CD2 4.33Å; H75-F86 HydrophobicContact CB-CE2 4.29Å; G82-F86 WeakPolarHBondContact O-CB 3.37Å; G82-F86 PolarHBondContact O-N 2.87Å; A83-F86 WeakPolarHBondContact O-CB 3.28Å; A83-F86 PolarHBondContact O-N 2.71Å; K84-F86 VanDerWaalsContact C-N 3.29Å; K84-F86 PolarHBondContact O-N 2.81Å; F86-F89 PolarHBondContact O-N 3.47Å; F86-L90 HydrophobicContact CE1-CD2 4.27Å; F86-L90 VanDerWaalsContact O-CB 3.31Å; F86-L90 WeakPolarHBondContact O-CB 3.38Å; F86-L90 PolarHBondContact O-N 3.28Å; F86-L684 HydrophobicContact CB-CD1 3.7Å; F86-L684 HydrophobicContact CD2-CD1 3.96Å; F86-L684 HydrophobicContact CG-CD1 4.28Å; F86-V688 HydrophobicContact CB-CG2 4.05Å; F86-V688 HydrophobicContact CD1-CG2 3.86Å; F86-V688 HydrophobicContact CD2-CG2 3.47Å; F86-V688 VanDerWaalsContact CD2-CG2 3.47Å; F86-V688 HydrophobicContact CE1-CG2 4.14Å; F86-V688 HydrophobicContact CE2-CG2 3.79Å; F86-V688 HydrophobicContact CG-CG2 3.49Å; F86-V688 VanDerWaalsContact CG-CG2 3.49Å; F86-V688 HydrophobicContact CZ-CG2 4.1Å; F86-C691 HydrophobicContact CE1-CB 4.07Å; F86-C691 HydrophobicContact CZ-CB 3.62Å
87I98.2Very high94.7Very high2 Ų226.1 Ų26.11%0.0113%0.127CC..Hα-helixtrans-63.6-46.4-178.8-64.1-62.1000110.9L21 E22 V25 L55 I68 V72 A83 K84 F89 L90 C91L21-I87 HydrophobicContact CB-CD1 4.38Å; L21-I87 HydrophobicContact CB-CG2 3.74Å; L21-I87 HydrophobicContact CD1-CD1 4.18Å; E22-I87 HydrophobicContact CB-CG2 4.14Å; V25-I87 HydrophobicContact CG2-CB 3.93Å; V25-I87 HydrophobicContact CG2-CG1 4.45Å; V25-I87 HydrophobicContact CG2-CG2 3.89Å; L55-I87 HydrophobicContact CD1-CD1 4.27Å; L55-I87 HydrophobicContact CD1-CG1 3.92Å; I68-I87 HydrophobicContact CG2-CD1 3.38Å; V72-I87 HydrophobicContact CG2-CD1 3.8Å; V72-I87 HydrophobicContact CG2-CG1 4.26Å; A83-I87 WeakPolarHBondContact O-CG1 3.19Å; A83-I87 PolarHBondContact O-N 2.85Å; K84-I87 PolarHBondContact O-N 2.89Å; I87-F89 VanDerWaalsContact C-N 3.32Å; I87-F89 PolarHBondContact O-N 2.94Å; I87-L90 PolarHBondContact O-N 3.26Å; I87-C91 VanDerWaalsContact O-CB 3.3Å; I87-C91 WeakPolarHBondContact O-CB 3.47Å; I87-C91 PolarHBondContact O-N 2.94Å
88I97.6Very high94.5Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-59.2-46.2178.7-68.1163.7000110.2E22 M29 K84 C91 H92 I637 V640E22-I88 HydrophobicContact CG-CG1 4Å; M29-I88 HydrophobicContact CB-CD1 4.42Å; M29-I88 HydrophobicContact CG-CD1 3.84Å; K84-I88 WeakPolarHBondContact O-CD1 3.48Å; K84-I88 VanDerWaalsContact O-CG1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.32Å; K84-I88 PolarHBondContact O-N 3.11Å; K84-I88 VanDerWaalsContact O-N 3.08Å; I88-C91 PolarHBondContact O-N 3.23Å; I88-H92 PolarHBondContact O-N 2.89Å; I88-H92 PolarHBondContact O-ND1 2.84Å; I88-I637 HydrophobicContact CG2-CG1 4.24Å; I88-V640 HydrophobicContact CD1-CB 4.44Å; I88-V640 HydrophobicContact CD1-CG1 4.07Å; I88-V640 HydrophobicContact CG2-CG2 4.15Å
89F98.2Very high94.2Very high3 Ų316.7 Ų16.71%0.01310%0.096CC..Hα-helixtrans-67.8-45.2-178.1-174.2-146000111.9T85 F86 I87 C91 H92 L93 I630 A633 L634 I637 L685 V688T85-F89 WeakPolarHBondContact O-CB 3.44Å; T85-F89 PolarHBondContact O-N 2.77Å; F86-F89 PolarHBondContact O-N 3.47Å; I87-F89 VanDerWaalsContact C-N 3.32Å; I87-F89 PolarHBondContact O-N 2.94Å; F89-C91 VanDerWaalsContact C-N 3.31Å; F89-C91 PolarHBondContact O-N 3.48Å; F89-H92 PolarHBondContact O-N 3.48Å; F89-L93 HydrophobicContact CD1-CD1 4.34Å; F89-L93 HydrophobicContact CD2-CD1 4.24Å; F89-L93 HydrophobicContact CD2-CG 4.18Å; F89-L93 HydrophobicContact CE1-CD1 4.08Å; F89-L93 HydrophobicContact CE2-CD1 3.99Å; F89-L93 HydrophobicContact CE2-CD2 4.07Å; F89-L93 HydrophobicContact CE2-CG 3.91Å; F89-L93 HydrophobicContact CG-CD1 4.4Å; F89-L93 HydrophobicContact CZ-CD1 3.91Å; F89-L93 HydrophobicContact CZ-CD2 4.3Å; F89-L93 HydrophobicContact CZ-CG 4.27Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.32Å; F89-I630 HydrophobicContact CZ-CG2 4.24Å; F89-A633 HydrophobicContact CD2-CB 4.07Å; F89-A633 HydrophobicContact CE2-CB 3.78Å; F89-L634 HydrophobicContact CD2-CD2 4.4Å; F89-L634 HydrophobicContact CE1-CD2 4.29Å; F89-L634 HydrophobicContact CE2-CD2 3.75Å; F89-L634 HydrophobicContact CE2-CG 3.85Å; F89-L634 HydrophobicContact CZ-CD2 3.7Å; F89-L634 HydrophobicContact CZ-CG 4.04Å; F89-I637 HydrophobicContact CB-CD1 4.14Å; F89-I637 HydrophobicContact CG-CD1 4.38Å; F89-L685 HydrophobicContact CE1-CD1 4.01Å; F89-L685 HydrophobicContact CE1-CG 3.93Å; F89-L685 HydrophobicContact CZ-CD1 4.13Å; F89-L685 HydrophobicContact CZ-CG 4.43Å; F89-V688 HydrophobicContact CB-CG1 4.42Å; F89-V688 HydrophobicContact CD1-CB 3.81Å; F89-V688 HydrophobicContact CD1-CG1 3.56Å; F89-V688 HydrophobicContact CD1-CG2 3.96Å; F89-V688 HydrophobicContact CE1-CB 4.24Å; F89-V688 HydrophobicContact CE1-CG1 4.04Å; F89-V688 HydrophobicContact CG-CG1 4.16Å
90L98.1Very high93.6Very high0 Ų018.1 Ų18.10%011%0.105CC..Hα-helixtrans-57.5-45.1175-179.362.3000111.6I68 F86 I87 H92 L93 L94 V688 L692 I695I68-L90 HydrophobicContact CD1-CD2 3.91Å; I68-L90 HydrophobicContact CG1-CD2 3.89Å; I68-L90 HydrophobicContact CG2-CD2 3.97Å; F86-L90 HydrophobicContact CE1-CD2 4.27Å; F86-L90 VanDerWaalsContact O-CB 3.31Å; F86-L90 WeakPolarHBondContact O-CB 3.38Å; F86-L90 PolarHBondContact O-N 3.28Å; I87-L90 PolarHBondContact O-N 3.26Å; L90-H92 VanDerWaalsContact C-N 3.34Å; L90-H92 PolarHBondContact O-N 2.76Å; L90-L93 PolarHBondContact O-N 3.07Å; L90-L94 HydrophobicContact CD1-CD1 4.31Å; L90-L94 HydrophobicContact CD1-CG 4.47Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 2.85Å; L90-V688 HydrophobicContact CB-CG1 4.03Å; L90-V688 HydrophobicContact CD1-CG1 4.34Å; L90-L692 HydrophobicContact CD1-CB 3.94Å; L90-L692 HydrophobicContact CD1-CD1 4.12Å; L90-I695 HydrophobicContact CD1-CD1 4.1Å; L90-I695 HydrophobicContact CD2-CD1 4.02Å
91C97.9Very high92.5Very high0 Ų019 Ų190%011%0.108CC..Hα-helixtrans-60.6-43.6177.9-168.80000111.7A18 E19 E22 I87 I88 F89 L94 R95A18-C91 HydrophobicContact CB-CB 3.99Å; E19-C91 VanDerWaalsContact CG-SG 3.57Å; E22-C91 HydrophobicContact CB-CB 4.25Å; E22-C91 PolarHBondContact OE2-SG 3.28Å; E22-C91 VanDerWaalsContact OE2-SG 3.4Å; I87-C91 VanDerWaalsContact O-CB 3.3Å; I87-C91 WeakPolarHBondContact O-CB 3.47Å; I87-C91 PolarHBondContact O-N 2.94Å; I88-C91 PolarHBondContact O-N 3.23Å; F89-C91 VanDerWaalsContact C-N 3.31Å; F89-C91 PolarHBondContact O-N 3.48Å; C91-L94 PolarHBondContact O-N 2.77Å; C91-R95 WeakPolarHBondContact O-CG 3.24Å; C91-R95 PolarHBondContact O-N 3.37Å; C91-R95 PolarHBondContact SG-NH2 2.77Å
92H97.4Very high91.3Very high34 Ų3419.8 Ų19.816%0.15711%0.113CC..Hα-helixtrans-67.5-35.6177.6-77.588.8000113.2E22 I88 F89 L90 R95 G96 A633 G636E22-H92 IonicContact OE1-CE1 3.63Å; E22-H92 PolarHBondContact OE1-CE1 2.79Å; E22-H92 IonicContact OE1-ND1 3.59Å; I88-H92 PolarHBondContact O-N 2.89Å; I88-H92 PolarHBondContact O-ND1 2.84Å; F89-H92 PolarHBondContact O-N 3.48Å; L90-H92 VanDerWaalsContact C-N 3.34Å; L90-H92 PolarHBondContact O-N 2.76Å; H92-R95 PolarHBondContact O-N 2.86Å; H92-G96 PolarHBondContact O-N 3.05Å; H92-A633 HydrophobicContact CB-CB 3.82Å; H92-G636 WeakPolarHBondContact NE2-CA 3.5Å
93L96.6Very high89.6Confident1 Ų129.4 Ų29.41%0.00515%0.148CC..Hα-helixtrans-62.8-46.3172.8-72.2166.9000111.2F89 L90 R95 G96 L97 I629 I630 A633 V688 L689 L692F89-L93 HydrophobicContact CD1-CD1 4.34Å; F89-L93 HydrophobicContact CD2-CD1 4.24Å; F89-L93 HydrophobicContact CD2-CG 4.18Å; F89-L93 HydrophobicContact CE1-CD1 4.08Å; F89-L93 HydrophobicContact CE2-CD1 3.99Å; F89-L93 HydrophobicContact CE2-CD2 4.07Å; F89-L93 HydrophobicContact CE2-CG 3.91Å; F89-L93 HydrophobicContact CG-CD1 4.4Å; F89-L93 HydrophobicContact CZ-CD1 3.91Å; F89-L93 HydrophobicContact CZ-CD2 4.3Å; F89-L93 HydrophobicContact CZ-CG 4.27Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.32Å; L90-L93 PolarHBondContact O-N 3.07Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 2.98Å; L93-G96 PolarHBondContact O-N 3.05Å; L93-G96 VanDerWaalsContact O-N 3.15Å; L93-L97 WeakPolarHBondContact O-CG 3.47Å; L93-L97 PolarHBondContact O-N 3.49Å; L93-I629 HydrophobicContact CD2-CG2 4.25Å; L93-I630 HydrophobicContact CD2-CB 4.4Å; L93-I630 HydrophobicContact CD2-CG1 3.88Å; L93-A633 HydrophobicContact CB-CB 4.45Å; L93-A633 HydrophobicContact CD2-CB 3.58Å; L93-A633 HydrophobicContact CG-CB 3.78Å; L93-V688 HydrophobicContact CD1-CG1 3.65Å; L93-L689 HydrophobicContact CD1-CD2 4.19Å; L93-L692 HydrophobicContact CB-CD2 3.91Å; L93-L692 HydrophobicContact CD1-CD2 3.95Å; L93-L692 HydrophobicContact CG-CD2 4.38Å
94L95.3Very high87.6Confident0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-62.5-37.6177.3-71166.9000112.2V11 A14 L15 A18 L90 C91 L97 H98 L692 I695V11-L94 HydrophobicContact CG1-CD2 4.06Å; A14-L94 HydrophobicContact CB-CD1 4.26Å; A14-L94 HydrophobicContact CB-CD2 4.21Å; L15-L94 HydrophobicContact CB-CB 4.16Å; L15-L94 HydrophobicContact CD1-CB 3.89Å; A18-L94 HydrophobicContact CB-CD1 3.71Å; L90-L94 HydrophobicContact CD1-CD1 4.31Å; L90-L94 HydrophobicContact CD1-CG 4.47Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 2.85Å; C91-L94 PolarHBondContact O-N 2.77Å; L94-L97 PolarHBondContact O-N 2.77Å; L94-H98 WeakPolarHBondContact O-CB 3.34Å; L94-H98 PolarHBondContact O-N 3.06Å; L94-L692 HydrophobicContact CD2-CD1 3.65Å; L94-L692 HydrophobicContact CG-CD1 4.15Å; L94-I695 HydrophobicContact CD2-CG2 4.43Å
95R94.8Very high85.4Confident79 Ų7940.8 Ų40.830%0.29820%0.198SC..Hα-helixtrans-61.9-44.8171.8-72.7178.6-177.41281.3111.9L15 E19 E22 C91 H92 L93 H98 A99L15-R95 HydrophobicContact CD1-CB 4.45Å; L15-R95 HydrophobicContact CD1-CG 3.53Å; L15-R95 HydrophobicContact CD2-CG 4.36Å; E19-R95 IonicContact OE1-CZ 3.83Å; E19-R95 IonicContact OE1-NE 2.9Å; E19-R95 PolarHBondContact OE1-NE 3.43Å; E19-R95 IonicContact OE1-NH2 3.81Å; E19-R95 PolarHBondContact OE1-NH2 2.65Å; E22-R95 IonicContact OE1-NH1 2.69Å; E22-R95 PolarHBondContact OE1-NH1 2.99Å; E22-R95 IonicContact OE2-CZ 3.22Å; E22-R95 IonicContact OE2-NH1 3.51Å; E22-R95 PolarHBondContact OE2-NH1 2.96Å; E22-R95 IonicContact OE2-NH2 2.99Å; E22-R95 PolarHBondContact OE2-NH2 3.37Å; C91-R95 WeakPolarHBondContact O-CG 3.24Å; C91-R95 PolarHBondContact O-N 3.37Å; C91-R95 PolarHBondContact SG-NH2 2.77Å; H92-R95 PolarHBondContact O-N 2.86Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-R95 PolarHBondContact O-N 2.98Å; R95-H98 PolarHBondContact O-N 3.32Å; R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.28Å
96G91.1Very high82.6Confident23 Ų2346.2 Ų46.224%0.23723%0.227CC..Hα-helixtrans-60.4-45.2177.400000112.2H92 L93 A99 V100H92-G96 PolarHBondContact O-N 3.05Å; L93-G96 PolarHBondContact O-N 3.05Å; L93-G96 VanDerWaalsContact O-N 3.15Å; G96-A99 PolarHBondContact O-N 3.22Å; G96-V100 WeakPolarHBondContact O-CG2 3.22Å; G96-V100 PolarHBondContact O-N 3.35Å
97L88.8Confident79.7Confident6 Ų651.9 Ų51.93%0.03126%0.263CS..Hα-helixtrans-65.2-43.8176.8-70170.2000112.5V11 L93 L94 A99 V100 T101 W126 I129 I629 L692 L696V11-L97 HydrophobicContact CG1-CB 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.47Å; L93-L97 PolarHBondContact O-N 3.49Å; L94-L97 PolarHBondContact O-N 2.77Å; L97-A99 VanDerWaalsContact C-N 3.34Å; L97-A99 PolarHBondContact O-N 3.4Å; L97-V100 PolarHBondContact O-N 3.06Å; L97-T101 PolarHBondContact O-N 3.35Å; L97-T101 PolarHBondContact O-OG1 3.05Å; L97-W126 HydrophobicContact CB-CZ3 4.17Å; L97-W126 HydrophobicContact CD2-CZ3 4.25Å; L97-I129 HydrophobicContact CD2-CD1 4.19Å; L97-I129 HydrophobicContact CD2-CG2 3.89Å; L97-I629 HydrophobicContact CD2-CD1 3.86Å; L97-I629 HydrophobicContact CG-CG2 4.43Å; L97-L692 HydrophobicContact CD1-CD1 3.92Å; L97-L692 HydrophobicContact CD1-CD2 4.05Å; L97-L692 HydrophobicContact CD1-CG 4.4Å; L97-L696 HydrophobicContact CD1-CD1 4.18Å; L97-L696 HydrophobicContact CD1-CD2 4.21Å
98H86.9Confident76.9Confident46 Ų4659 Ų5921%0.21330%0.301CS..Hα-helixtrans-62.1-40.7177.3-171.9-76.9000112.1L15 L94 R95 V100 T101 D102L15-H98 HydrophobicContact CD2-CB 3.88Å; L94-H98 WeakPolarHBondContact O-CB 3.34Å; L94-H98 PolarHBondContact O-N 3.06Å; R95-H98 PolarHBondContact O-N 3.32Å; H98-V100 VanDerWaalsContact C-N 3.29Å; H98-V100 PolarHBondContact O-N 2.83Å; H98-T101 PolarHBondContact O-N 2.94Å; H98-D102 IonicContact CE1-OD2 3.54Å; H98-D102 PolarHBondContact CE1-OD2 3.1Å; H98-D102 IonicContact ND1-OD2 3.07Å; H98-D102 PolarHBondContact ND1-OD2 2.87Å; H98-D102 VanDerWaalsContact ND1-OD2 3.07Å; H98-D102 PolarHBondContact O-N 3.06Å
99A85.4Confident73.9Confident48 Ų4867.8 Ų67.840%0.39734%0.344SS..Hα-helixtrans-65.2-31.5-179.900000113.2R95 G96 L97 R103R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.28Å; G96-A99 PolarHBondContact O-N 3.22Å; L97-A99 VanDerWaalsContact C-N 3.34Å; L97-A99 PolarHBondContact O-N 3.4Å; A99-R103 WeakPolarHBondContact O-CG 3.46Å; A99-R103 PolarHBondContact O-N 2.9Å
100V78.4Confident70.7Confident35 Ų3573.1 Ų73.121%0.21238%0.38CS..Hα-helixtrans-65.3-47.4172.5166.30000110.4G96 L97 H98 D102 R103 E104 M625 I629G96-V100 WeakPolarHBondContact O-CG2 3.22Å; G96-V100 PolarHBondContact O-N 3.35Å; L97-V100 PolarHBondContact O-N 3.06Å; H98-V100 VanDerWaalsContact C-N 3.29Å; H98-V100 PolarHBondContact O-N 2.83Å; V100-D102 VanDerWaalsContact C-N 3.26Å; V100-D102 PolarHBondContact O-N 2.89Å; V100-R103 PolarHBondContact O-N 2.81Å; V100-E104 PolarHBondContact O-N 2.79Å; V100-M625 HydrophobicContact CB-CE 3.98Å; V100-M625 HydrophobicContact CG1-CE 3.11Å; V100-M625 HydrophobicContact CG2-CE 3.72Å; V100-I629 HydrophobicContact CG2-CD1 4.12Å
101T68.2Low67.4Low25 Ų2580.8 Ų80.815%0.15342%0.416CS..Hα-helixtrans-65.4-28.2-176.4-48.50000113.3L97 H98 W126L97-T101 PolarHBondContact O-N 3.35Å; L97-T101 PolarHBondContact O-OG1 3.05Å; H98-T101 PolarHBondContact O-N 2.94Å; T101-W126 VanDerWaalsContact OG1-CH2 3.26Å; T101-W126 WeakPolarHBondContact OG1-CH2 3.42Å
102D66.3Low64.2Low70 Ų7088.3 Ų88.337%0.37446%0.456SS..Hα-helixtrans-80.4-30.9177.4-74.9-21.4000112.9H98 V100 E104 K105H98-D102 IonicContact CE1-OD2 3.54Å; H98-D102 PolarHBondContact CE1-OD2 3.1Å; H98-D102 IonicContact ND1-OD2 3.07Å; H98-D102 PolarHBondContact ND1-OD2 2.87Å; H98-D102 VanDerWaalsContact ND1-OD2 3.07Å; H98-D102 PolarHBondContact O-N 3.06Å; V100-D102 VanDerWaalsContact C-N 3.26Å; V100-D102 PolarHBondContact O-N 2.89Å; D102-E104 PolarHBondContact O-N 3.12Å; D102-K105 PolarHBondContact O-N 3.09Å; D102-K105 VanDerWaalsContact O-N 3.13Å; D102-K105 IonicContact OD1-NZ 2.98Å; D102-K105 PolarHBondContact OD1-NZ 3.39Å
103R57.8Low61.2Low206 Ų20694.2 Ų94.278%0.77749%0.488SS*.Hα-helixtrans-67.3-24.5175.7-73.6178.4-178.2-128.3-0.2113.4A99 V100 K105A99-R103 WeakPolarHBondContact O-CG 3.46Å; A99-R103 PolarHBondContact O-N 2.9Å; V100-R103 PolarHBondContact O-N 2.81Å; R103-K105 PolarHBondContact O-N 2.9Å
104E53.3Low58.3Low125 Ų125100.8 Ų100.858%0.58452%0.518SS*.THydrogen-bonded Turntrans-73.5-9.8174.2-72179157.100113.2V100 D102 Q125V100-E104 PolarHBondContact O-N 2.79Å; D102-E104 PolarHBondContact O-N 3.12Å; E104-Q125 PolarHBondContact OE2-NE2 3.4Å
105K48.8Very low55.5Low134 Ų134106.8 Ų106.858%0.58356%0.555SS**THydrogen-bonded Turntrans-97.9-3.8-176.4-63.1175.2-167.3152.80114.9D102 R103 P107D102-K105 PolarHBondContact O-N 3.09Å; D102-K105 VanDerWaalsContact O-N 3.13Å; D102-K105 IonicContact OD1-NZ 2.98Å; D102-K105 PolarHBondContact OD1-NZ 3.39Å; R103-K105 PolarHBondContact O-N 2.9Å; K105-P107 WeakPolarHBondContact O-CD 3.43Å
106D37.9Very low52.8Low134 Ų134112.5 Ų112.572%0.71759%0.585SS**  trans-81.4114.7176.5-86.4-32.1000111.1L108D106-L108 PolarHBondContact O-N 3.21Å
107P36.7Very low50.5Low118 Ų118115 Ų11577%0.76661%0.61SS**THydrogen-bonded Turntrans-84.22-170.7-9.327.4000115.9K105K105-P107 WeakPolarHBondContact O-CD 3.43Å
108L39.6Very low48.1Very low152 Ų152125.1 Ų125.180%0.79665%0.648SS**THydrogen-bonded Turntrans-108.13.5-160.1-73.3173.8000117D106D106-L108 PolarHBondContact O-N 3.21Å
109M34Very low45.9Very low185 Ų185130.8 Ų130.891%0.91167%0.674SS**SBendtrans-144.347.5-178-74.5-64.916600114.4
110C30.9Very low43.7Very low115 Ų115133.8 Ų133.878%0.77768%0.675SS**  trans-141.469.7176.4-147.50000112.9
111E29.8Very low42.1Very low161 Ų161139.5 Ų139.575%0.75270%0.698SS**SBendtrans-102.7-15.3173.2-127.3175-169.400115.3
112N30Very low41.4Very low157 Ų157143.9 Ų143.984%0.8472%0.72SS**SBendtrans-124.528-169-73.1-24.6000117.7
113I34.2Very low40.6Very low159 Ų159144.2 Ų144.282%0.81573%0.727SS**  trans-134.675161.2-50.4176.9000109
114Q36.8Very low40.5Very low139 Ų139137.5 Ų137.565%0.6571%0.711SS**  trans-87.8115.2165.1-63-179.34.300106.3
115T35.1Very low41.2Very low126 Ų126131.9 Ų131.977%0.77368%0.684SS**SBend-175.528.499.833.50000114.5
116H39.3Very low42.6Very low199 Ų199127.2 Ų127.292%0.92166%0.663SS**SBendtrans-128.8-2.9172.9-92.642.6000116
117G42.4Very low44.4Very low75 Ų75125.5 Ų125.577%0.77365%0.65SS**  trans-11573.1-169.400000114.3
118R38.9Very low46.4Very low218 Ų218124.2 Ų124.282%0.82363%0.632SS**SBendtrans-155.553.4170.3-120.3-165.5-73.1-158.90.5114.7
119H39.4Very low48.5Very low166 Ų166117.8 Ų117.877%0.76960%0.598SS**  trans-163.645.6163-140.6-76000116.8
120W39.9Very low50.9Low110 Ų110109.7 Ų109.742%0.41756%0.56SS.*  trans-102.990.2-176-156.9-111.8000112Q125 F128W120-Q125 VanDerWaalsContact CD1-OE1 3.3Å; W120-Q125 VanDerWaalsContact CZ2-CA 3.41Å; W120-Q125 HydrophobicContact CZ2-CB 4.04Å; W120-Q125 HydrophobicContact CZ2-CG 4.03Å; W120-F128 HydrophobicContact CE3-CD2 4.47Å; W120-F128 HydrophobicContact CH2-CB 3.64Å; W120-F128 AromaticContact CH2-CD2 3.16Å; W120-F128 HydrophobicContact CH2-CD2 3.16Å; W120-F128 AromaticContact CH2-CE2 3.95Å; W120-F128 HydrophobicContact CH2-CE2 3.95Å; W120-F128 AromaticContact CH2-CG 3.56Å; W120-F128 HydrophobicContact CH2-CG 3.56Å; W120-F128 HydrophobicContact CZ2-CB 4.05Å; W120-F128 AromaticContact CZ2-CD2 3.9Å; W120-F128 HydrophobicContact CZ2-CD2 3.9Å; W120-F128 HydrophobicContact CZ2-CG 4.34Å; W120-F128 AromaticContact CZ3-CD2 3.51Å; W120-F128 HydrophobicContact CZ3-CD2 3.51Å; W120-F128 AromaticContact CZ3-CE2 3.8Å; W120-F128 HydrophobicContact CZ3-CE2 3.8Å; W120-F128 HydrophobicContact CZ3-CG 4.21Å
121K45Very low53.5Low156 Ų156109.8 Ų109.868%0.67855%0.549SS*.  trans-73.7125.1170.3-83.5179.7174.4176.80109C123 C124K121-C123 PolarHBondContact O-N 2.84Å; K121-C124 WeakPolarHBondContact O-CB 3.49Å; K121-C124 PolarHBondContact O-N 3.46Å
122N53.3Low56.2Low117 Ų117102.6 Ų102.663%0.62652%0.517SS*.Hα-helixtrans-43.2-25.5-170.3-62.6-15.9000118.5W126N122-W126 VanDerWaalsContact O-CD1 3.23Å; N122-W126 PolarHBondContact O-NE1 2.88Å
123C48.8Very low59Low77 Ų7795.4 Ų95.452%0.5248%0.478SS..Hα-helixtrans-81-27.2176.8-67.20000113.3K121 Q125K121-C123 PolarHBondContact O-N 2.84Å; C123-Q125 VanDerWaalsContact C-N 3.34Å
124C56.4Low61.5Low65 Ų6591.1 Ų91.144%0.43946%0.459SS..Hα-helixtrans-72-33.1175.9-62.80000110.7K121 W126 K127 F128K121-C124 WeakPolarHBondContact O-CB 3.49Å; K121-C124 PolarHBondContact O-N 3.46Å; C124-W126 PolarHBondContact O-N 3.5Å; C124-K127 PolarHBondContact O-N 2.85Å; C124-F128 HydrophobicContact CB-CD2 4.26Å; C124-F128 HydrophobicContact CB-CE2 3.98Å; C124-F128 WeakPolarHBondContact O-CD2 3.43Å; C124-F128 PolarHBondContact O-N 3.12Å; C124-F128 VanDerWaalsContact O-N 3.11Å
125Q68.8Low63.8Low6 Ų686.1 Ų86.13%0.02844%0.438CS..Hα-helixtrans-51.7-52.9-179-171.1148.923.300114.4E104 W120 C123 K127 F128 I129E104-Q125 PolarHBondContact OE2-NE2 3.4Å; W120-Q125 VanDerWaalsContact CD1-OE1 3.3Å; W120-Q125 VanDerWaalsContact CZ2-CA 3.41Å; W120-Q125 HydrophobicContact CZ2-CB 4.04Å; W120-Q125 HydrophobicContact CZ2-CG 4.03Å; C123-Q125 VanDerWaalsContact C-N 3.34Å; Q125-K127 VanDerWaalsContact C-N 3.33Å; Q125-K127 PolarHBondContact O-N 2.77Å; Q125-F128 PolarHBondContact O-N 2.89Å; Q125-I129 HydrophobicContact CG-CD1 3.9Å; Q125-I129 WeakPolarHBondContact O-CG1 3.49Å; Q125-I129 PolarHBondContact O-N 3.36Å
126W76.9Confident66.3Low36 Ų3680.1 Ų80.114%0.13640%0.402CS..Hα-helixtrans-73-31-173.5-55.1120.6000111.8V11 L97 T101 N122 C124 I129 S130 L696V11-W126 HydrophobicContact CB-CH2 4.18Å; V11-W126 HydrophobicContact CB-CZ2 4.06Å; V11-W126 HydrophobicContact CG1-CH2 4.28Å; V11-W126 HydrophobicContact CG2-CD2 3.68Å; V11-W126 HydrophobicContact CG2-CE3 3.86Å; V11-W126 HydrophobicContact CG2-CG 4.38Å; V11-W126 HydrophobicContact CG2-CH2 3.73Å; V11-W126 HydrophobicContact CG2-CZ2 3.56Å; V11-W126 HydrophobicContact CG2-CZ3 3.88Å; L97-W126 HydrophobicContact CB-CZ3 4.17Å; L97-W126 HydrophobicContact CD2-CZ3 4.25Å; T101-W126 VanDerWaalsContact OG1-CH2 3.26Å; T101-W126 WeakPolarHBondContact OG1-CH2 3.42Å; N122-W126 VanDerWaalsContact O-CD1 3.23Å; N122-W126 PolarHBondContact O-NE1 2.88Å; C124-W126 PolarHBondContact O-N 3.5Å; W126-I129 HydrophobicContact CE3-CD1 3.79Å; W126-I129 HydrophobicContact CZ3-CD1 3.77Å; W126-S130 WeakPolarHBondContact O-CB 3.41Å; W126-S130 PolarHBondContact O-N 3.21Å; W126-L696 HydrophobicContact CB-CB 4.19Å; W126-L696 HydrophobicContact CB-CD2 4.38Å; W126-L696 WeakPolarHBondContact CB-O 3.36Å; W126-L696 HydrophobicContact CD2-CD2 4.13Å; W126-L696 HydrophobicContact CE3-CD2 3.67Å; W126-L696 HydrophobicContact CG-CD2 4.44Å; W126-L696 HydrophobicContact CZ3-CD2 4.33Å
127K76.6Confident68.5Low99 Ų9972.1 Ų72.143%0.4337%0.365SS..Hα-helixtrans-64.5-45.9173.7-69.5-178.5-178.5174.70111.1C124 Q125 S130 Q131 D699C124-K127 PolarHBondContact O-N 2.85Å; Q125-K127 VanDerWaalsContact C-N 3.33Å; Q125-K127 PolarHBondContact O-N 2.77Å; K127-S130 WeakPolarHBondContact O-CB 3.5Å; K127-S130 PolarHBondContact O-N 3.49Å; K127-S130 PolarHBondContact O-OG 3.23Å; K127-Q131 PolarHBondContact O-N 3.45Å; K127-D699 WeakPolarHBondContact CE-OD2 3.31Å; K127-D699 IonicContact NZ-OD1 3.86Å; K127-D699 IonicContact NZ-OD2 2.84Å; K127-D699 PolarHBondContact NZ-OD2 2.88Å
128F78.5Confident70.2Confident91 Ų9171.4 Ų71.440%0.39935%0.345SS..Hα-helixtrans-63.6-46.5175.6-73.2-67.2000112.5W120 C124 Q125 S130 Q131 A132W120-F128 HydrophobicContact CE3-CD2 4.47Å; W120-F128 HydrophobicContact CH2-CB 3.64Å; W120-F128 AromaticContact CH2-CD2 3.16Å; W120-F128 HydrophobicContact CH2-CD2 3.16Å; W120-F128 AromaticContact CH2-CE2 3.95Å; W120-F128 HydrophobicContact CH2-CE2 3.95Å; W120-F128 AromaticContact CH2-CG 3.56Å; W120-F128 HydrophobicContact CH2-CG 3.56Å; W120-F128 HydrophobicContact CZ2-CB 4.05Å; W120-F128 AromaticContact CZ2-CD2 3.9Å; W120-F128 HydrophobicContact CZ2-CD2 3.9Å; W120-F128 HydrophobicContact CZ2-CG 4.34Å; W120-F128 AromaticContact CZ3-CD2 3.51Å; W120-F128 HydrophobicContact CZ3-CD2 3.51Å; W120-F128 AromaticContact CZ3-CE2 3.8Å; W120-F128 HydrophobicContact CZ3-CE2 3.8Å; W120-F128 HydrophobicContact CZ3-CG 4.21Å; C124-F128 HydrophobicContact CB-CD2 4.26Å; C124-F128 HydrophobicContact CB-CE2 3.98Å; C124-F128 WeakPolarHBondContact O-CD2 3.43Å; C124-F128 PolarHBondContact O-N 3.12Å; C124-F128 VanDerWaalsContact O-N 3.11Å; Q125-F128 PolarHBondContact O-N 2.89Å; F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 2.83Å; F128-Q131 WeakPolarHBondContact O-CB 3.47Å; F128-Q131 PolarHBondContact O-N 3.08Å; F128-Q131 VanDerWaalsContact O-N 3.13Å; F128-A132 PolarHBondContact O-N 2.79Å
129I83.3Confident72.2Confident17 Ų1765.7 Ų65.79%0.08733%0.328CS..Hα-helixtrans-60.7-40.1174.7-66.4169.2000110.5L97 Q125 W126 Q131 A132 L133 L696L97-I129 HydrophobicContact CD2-CD1 4.19Å; L97-I129 HydrophobicContact CD2-CG2 3.89Å; Q125-I129 HydrophobicContact CG-CD1 3.9Å; Q125-I129 WeakPolarHBondContact O-CG1 3.49Å; Q125-I129 PolarHBondContact O-N 3.36Å; W126-I129 HydrophobicContact CE3-CD1 3.79Å; W126-I129 HydrophobicContact CZ3-CD1 3.77Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 3.19Å; I129-A132 PolarHBondContact O-N 3.1Å; I129-L133 HydrophobicContact CG2-CD1 4.25Å; I129-L133 HydrophobicContact CG2-CG 4.38Å; I129-L133 VanDerWaalsContact O-CG 3.26Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 2.59Å; I129-L696 HydrophobicContact CB-CD1 4.44Å; I129-L696 HydrophobicContact CG2-CD1 3.84Å
130S85.6Confident74.5Confident14 Ų1458 Ų5810%0.09829%0.293CS..Hα-helixtrans-61.7-39.1176.488.10000112W126 K127 F128 L133 V134W126-S130 WeakPolarHBondContact O-CB 3.41Å; W126-S130 PolarHBondContact O-N 3.21Å; K127-S130 WeakPolarHBondContact O-CB 3.5Å; K127-S130 PolarHBondContact O-N 3.49Å; K127-S130 PolarHBondContact O-OG 3.23Å; F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 2.83Å; S130-L133 PolarHBondContact O-N 3.03Å; S130-V134 WeakPolarHBondContact O-CG2 3.36Å; S130-V134 PolarHBondContact O-N 3.39Å
131Q85.1Confident76.8Confident117 Ų11752.9 Ų52.955%0.54727%0.273SS..Hα-helixtrans-68-44.5176.4-173.5171.21.600110.7K127 F128 I129 L133 V134 T135K127-Q131 PolarHBondContact O-N 3.45Å; F128-Q131 WeakPolarHBondContact O-CB 3.47Å; F128-Q131 PolarHBondContact O-N 3.08Å; F128-Q131 VanDerWaalsContact O-N 3.13Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 3.19Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 3.3Å; Q131-V134 WeakPolarHBondContact O-CB 3.21Å; Q131-V134 PolarHBondContact O-N 3.17Å; Q131-V134 VanDerWaalsContact O-N 3.11Å; Q131-T135 PolarHBondContact O-N 3.47Å; Q131-T135 PolarHBondContact O-OG1 3.49Å
132A86.5Confident78.9Confident11 Ų1145.9 Ų45.99%0.09124%0.243CC..Hα-helixtrans-62.5-33.3175.100000112.7F128 I129 T135 F136 V626F128-A132 PolarHBondContact O-N 2.79Å; I129-A132 PolarHBondContact O-N 3.1Å; A132-T135 PolarHBondContact O-N 2.99Å; A132-F136 VanDerWaalsContact O-CB 3.24Å; A132-F136 WeakPolarHBondContact O-CB 3.32Å; A132-F136 PolarHBondContact O-N 2.93Å; A132-V626 HydrophobicContact CB-CG2 3.83Å
133L88.6Confident80.5Confident5 Ų540.6 Ų40.63%0.02622%0.217CC..Hα-helixtrans-65.2-39.1172.6-72.4169.5000112.1I129 S130 Q131 F136 Q137 V626 I630 L689 L692 L696I129-L133 HydrophobicContact CG2-CD1 4.25Å; I129-L133 HydrophobicContact CG2-CG 4.38Å; I129-L133 VanDerWaalsContact O-CG 3.26Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 2.59Å; S130-L133 PolarHBondContact O-N 3.03Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 3.3Å; L133-F136 PolarHBondContact O-N 2.81Å; L133-Q137 WeakPolarHBondContact O-CB 3.43Å; L133-Q137 PolarHBondContact O-N 2.85Å; L133-V626 HydrophobicContact CD2-CG1 3.65Å; L133-V626 HydrophobicContact CG-CG1 4.35Å; L133-I630 HydrophobicContact CD2-CD1 4.03Å; L133-L689 HydrophobicContact CD2-CD2 4.06Å; L133-L692 HydrophobicContact CD1-CD2 3.75Å; L133-L692 HydrophobicContact CD1-CG 3.93Å; L133-L692 HydrophobicContact CD2-CD2 4.37Å; L133-L696 HydrophobicContact CD1-CD1 3.69Å
134V85.6Confident82.4Confident69 Ų6937.1 Ų37.142%0.41819%0.193SC..Hα-helixtrans-67.5-45.1175.6174.40000110.5S130 Q131 F136 Q137 T138 T693S130-V134 WeakPolarHBondContact O-CG2 3.36Å; S130-V134 PolarHBondContact O-N 3.39Å; Q131-V134 WeakPolarHBondContact O-CB 3.21Å; Q131-V134 PolarHBondContact O-N 3.17Å; Q131-V134 VanDerWaalsContact O-N 3.11Å; V134-F136 VanDerWaalsContact C-N 3.33Å; V134-F136 PolarHBondContact O-N 3.36Å; V134-Q137 PolarHBondContact O-N 3.29Å; V134-T138 PolarHBondContact O-N 2.82Å; V134-T138 VanDerWaalsContact O-N 3.13Å; V134-T138 PolarHBondContact O-OG1 3.19Å; V134-T693 HydrophobicContact CG2-CG2 4.2Å
135T85Confident84Confident34 Ų3434 Ų3421%0.20917%0.172CC..Hα-helixtrans-60.2-43.4174.5-53.90000111.4Q131 A132 Q137 T138 Q139Q131-T135 PolarHBondContact O-N 3.47Å; Q131-T135 PolarHBondContact O-OG1 3.49Å; A132-T135 PolarHBondContact O-N 2.99Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.33Å; T135-T138 PolarHBondContact O-N 2.91Å; T135-T138 PolarHBondContact O-OG1 3.44Å; T135-Q139 HydrophobicContact CG2-CB 4.48Å; T135-Q139 HydrophobicContact CG2-CG 4.23Å; T135-Q139 WeakPolarHBondContact O-CB 3.27Å; T135-Q139 PolarHBondContact O-N 2.97Å
136F88.9Confident84.8Confident1 Ų135.6 Ų35.60%0.00418%0.181CC..Iπ-helixtrans-57.6-46.4175.4174.8-87.8000111.6A132 L133 V134 T138 I140 L141 L611 V626 I630 L689A132-F136 VanDerWaalsContact O-CB 3.24Å; A132-F136 WeakPolarHBondContact O-CB 3.32Å; A132-F136 PolarHBondContact O-N 2.93Å; L133-F136 PolarHBondContact O-N 2.81Å; V134-F136 VanDerWaalsContact C-N 3.33Å; V134-F136 PolarHBondContact O-N 3.36Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 3.11Å; F136-I140 HydrophobicContact CB-CD1 4.4Å; F136-I140 HydrophobicContact CD2-CB 3.77Å; F136-I140 HydrophobicContact CD2-CD1 3.84Å; F136-I140 HydrophobicContact CD2-CG1 4.36Å; F136-I140 HydrophobicContact CD2-CG2 3.81Å; F136-I140 HydrophobicContact CE2-CB 4.07Å; F136-I140 HydrophobicContact CE2-CG2 3.63Å; F136-I140 HydrophobicContact CG-CB 4.35Å; F136-I140 HydrophobicContact CZ-CG2 4.5Å; F136-I140 WeakPolarHBondContact O-CB 3.16Å; F136-I140 PolarHBondContact O-N 3.4Å; F136-I140 VanDerWaalsContact O-N 3.08Å; F136-L141 HydrophobicContact CD1-CB 4.46Å; F136-L141 HydrophobicContact CE1-CB 4.04Å; F136-L141 HydrophobicContact CE1-CD1 4.47Å; F136-L141 PolarHBondContact O-N 3.29Å; F136-L611 HydrophobicContact CE2-CD2 3.42Å; F136-L611 VanDerWaalsContact CE2-CD2 3.42Å; F136-L611 HydrophobicContact CZ-CD1 4.12Å; F136-L611 HydrophobicContact CZ-CD2 3.51Å; F136-L611 HydrophobicContact CZ-CG 4.48Å; F136-V626 HydrophobicContact CB-CG1 4.3Å; F136-V626 HydrophobicContact CG-CG1 4.46Å; F136-I630 HydrophobicContact CD1-CD1 3.44Å; F136-I630 VanDerWaalsContact CD1-CD1 3.44Å; F136-I630 HydrophobicContact CD2-CD1 4.08Å; F136-I630 HydrophobicContact CE1-CD1 3.43Å; F136-I630 VanDerWaalsContact CE1-CD1 3.43Å; F136-I630 HydrophobicContact CE1-CG2 4.26Å; F136-I630 HydrophobicContact CE2-CD1 4.07Å; F136-I630 HydrophobicContact CG-CD1 3.79Å; F136-I630 HydrophobicContact CZ-CD1 3.75Å; F136-I630 HydrophobicContact CZ-CG2 4.09Å; F136-L689 HydrophobicContact CD1-CD1 3.88Å; F136-L689 HydrophobicContact CE1-CD1 4.1Å
137Q85.4Confident85.2Confident31 Ų3137.1 Ų37.115%0.14519%0.189CC..Iπ-helixtrans-62.3-41.5-178.1-166.4-161-54.600111.8L133 V134 T135 L141 T686 L689L133-Q137 WeakPolarHBondContact O-CB 3.43Å; L133-Q137 PolarHBondContact O-N 2.85Å; V134-Q137 PolarHBondContact O-N 3.29Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.33Å; Q137-L141 HydrophobicContact CG-CD2 4.46Å; Q137-T686 HydrophobicContact CG-CG2 4.37Å; Q137-T686 VanDerWaalsContact NE2-CG2 3.26Å; Q137-L689 HydrophobicContact CB-CD1 4.38Å; Q137-L689 HydrophobicContact CG-CD1 4.47Å
138T78.4Confident85.7Confident59 Ų5935.8 Ų35.836%0.36218%0.182SC..Iπ-helixtrans-87.6-35.9-175.255.20000113.3V134 T135 F136V134-T138 PolarHBondContact O-N 2.82Å; V134-T138 VanDerWaalsContact O-N 3.13Å; V134-T138 PolarHBondContact O-OG1 3.19Å; T135-T138 PolarHBondContact O-N 2.91Å; T135-T138 PolarHBondContact O-OG1 3.44Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 3.11Å
139Q80.4Confident86.2Confident98 Ų9831.5 Ų31.546%0.45816%0.163SC..Iπ-helixtrans-103.6-36.1-170.9-58.7-172.7-5.900113.4T135T135-Q139 HydrophobicContact CG2-CB 4.48Å; T135-Q139 HydrophobicContact CG2-CG 4.23Å; T135-Q139 WeakPolarHBondContact O-CB 3.27Å; T135-Q139 PolarHBondContact O-N 2.97Å
140I86.8Confident86.5Confident6 Ų631 Ų313%0.03116%0.161CC..Iπ-helixtrans-97.6-50.2-170-59174.3000110.8F136 G143 I144 L611 Y614 E623F136-I140 HydrophobicContact CB-CD1 4.4Å; F136-I140 HydrophobicContact CD2-CB 3.77Å; F136-I140 HydrophobicContact CD2-CD1 3.84Å; F136-I140 HydrophobicContact CD2-CG1 4.36Å; F136-I140 HydrophobicContact CD2-CG2 3.81Å; F136-I140 HydrophobicContact CE2-CB 4.07Å; F136-I140 HydrophobicContact CE2-CG2 3.63Å; F136-I140 HydrophobicContact CG-CB 4.35Å; F136-I140 HydrophobicContact CZ-CG2 4.5Å; F136-I140 WeakPolarHBondContact O-CB 3.16Å; F136-I140 PolarHBondContact O-N 3.4Å; F136-I140 VanDerWaalsContact O-N 3.08Å; I140-G143 PolarHBondContact O-N 3.35Å; I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 4.42Å; I140-I144 WeakPolarHBondContact O-CB 3.47Å; I140-I144 VanDerWaalsContact O-CG1 3.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.37Å; I140-I144 PolarHBondContact O-N 2.82Å; I140-L611 HydrophobicContact CG2-CD2 4.4Å; I140-Y614 HydrophobicContact CD1-CE1 3.79Å; I140-Y614 HydrophobicContact CG1-CE1 4.1Å; I140-Y614 HydrophobicContact CG2-CD1 3.94Å; I140-Y614 HydrophobicContact CG2-CE1 3.64Å; I140-Y614 HydrophobicContact CG2-CE2 4.41Å; I140-Y614 HydrophobicContact CG2-CG 4.45Å; I140-E623 HydrophobicContact CD1-CB 4.05Å; I140-E623 HydrophobicContact CD1-CG 4.32Å
141L89.8Confident86.6Confident1 Ų139.3 Ų39.31%0.00519%0.19CC..Iπ-helixtrans-60.5-50.5-177.4178.167.5000111F136 Q137 G143 I144 M145 L607 Y682 L685F136-L141 HydrophobicContact CD1-CB 4.46Å; F136-L141 HydrophobicContact CE1-CB 4.04Å; F136-L141 HydrophobicContact CE1-CD1 4.47Å; F136-L141 PolarHBondContact O-N 3.29Å; Q137-L141 HydrophobicContact CG-CD2 4.46Å; L141-G143 PolarHBondContact O-N 3.43Å; L141-I144 PolarHBondContact O-N 2.91Å; L141-I144 VanDerWaalsContact O-N 3.15Å; L141-M145 HydrophobicContact CD1-CG 4.21Å; L141-M145 HydrophobicContact CG-CG 4.31Å; L141-M145 WeakPolarHBondContact O-CB 3.28Å; L141-M145 WeakPolarHBondContact O-CG 3.28Å; L141-M145 PolarHBondContact O-N 3.46Å; L141-L607 HydrophobicContact CD1-CD1 4.28Å; L141-L607 HydrophobicContact CD1-CD2 4.25Å; L141-Y682 HydrophobicContact CD2-CD2 4.06Å; L141-Y682 HydrophobicContact CD2-CE2 3.59Å; L141-Y682 HydrophobicContact CG-CD2 4.34Å; L141-Y682 HydrophobicContact CG-CE2 3.91Å; L141-L685 HydrophobicContact CD1-CD2 3.68Å; L141-L685 HydrophobicContact CD2-CD2 3.28Å; L141-L685 HydrophobicContact CG-CD2 4.07Å
142D88.3Confident86.8Confident9 Ų935.9 Ų35.95%0.04818%0.175CC..Hα-helixtrans-59.7-46-178.9-76.610.2000111.5I144 M145 D146 L430 N431 Y432 Y682D142-I144 VanDerWaalsContact C-N 3.34Å; D142-I144 PolarHBondContact O-N 3.48Å; D142-M145 PolarHBondContact O-N 3.07Å; D142-D146 WeakPolarHBondContact O-CB 3.31Å; D142-D146 PolarHBondContact O-N 3.14Å; D142-L430 HydrophobicContact CB-CB 4.11Å; D142-L430 HydrophobicContact CB-CD2 4.26Å; D142-N431 PolarHBondContact OD2-N 3.46Å; D142-Y432 HydrophobicContact CB-CD1 4.04Å; D142-Y432 HydrophobicContact CB-CG 4.42Å; D142-Y682 WeakPolarHBondContact OD1-CE2 3.17Å; D142-Y682 PolarHBondContact OD1-OH 3.13Å
143G86Confident86.9Confident7 Ų735.6 Ų35.67%0.07217%0.171CC..Hα-helixtrans-62.9-38174.900000113.1I140 L141 Q147I140-G143 PolarHBondContact O-N 3.35Å; L141-G143 PolarHBondContact O-N 3.43Å; G143-Q147 VanDerWaalsContact O-CB 3.24Å; G143-Q147 WeakPolarHBondContact O-CB 3.17Å; G143-Q147 VanDerWaalsContact O-CG 3.3Å; G143-Q147 WeakPolarHBondContact O-CG 3.45Å; G143-Q147 PolarHBondContact O-N 2.68Å
144I89.6Confident87Confident4 Ų437.7 Ų37.72%0.02118%0.182CC..Hα-helixtrans-68.7-40.5177.2-73.9174.6000111.8I140 L141 D142 Y148 L149 L607 L611 Y614I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 4.42Å; I140-I144 WeakPolarHBondContact O-CB 3.47Å; I140-I144 VanDerWaalsContact O-CG1 3.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.37Å; I140-I144 PolarHBondContact O-N 2.82Å; L141-I144 PolarHBondContact O-N 2.91Å; L141-I144 VanDerWaalsContact O-N 3.15Å; D142-I144 VanDerWaalsContact C-N 3.34Å; D142-I144 PolarHBondContact O-N 3.48Å; I144-Y148 HydrophobicContact CG1-CD2 4.44Å; I144-Y148 WeakPolarHBondContact O-CB 3.37Å; I144-Y148 PolarHBondContact O-N 2.85Å; I144-Y148 VanDerWaalsContact O-N 3.14Å; I144-L149 HydrophobicContact CG2-CD1 3.4Å; I144-L149 VanDerWaalsContact CG2-CD1 3.4Å; I144-L149 WeakPolarHBondContact O-CD1 3.48Å; I144-L149 PolarHBondContact O-N 3.24Å; I144-L607 HydrophobicContact CG2-CD1 3.71Å; I144-L611 HydrophobicContact CD1-CD2 3.38Å; I144-L611 HydrophobicContact CD1-CG 4.13Å; I144-Y614 HydrophobicContact CD1-CG 4.17Å
145M90.1Very high87.1Confident0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-61.2-50.1176.6-71.8-65.5-61.900111.4L141 D142 L149 S150 F153 L430 M591 F603 V678 Y682L141-M145 HydrophobicContact CD1-CG 4.21Å; L141-M145 HydrophobicContact CG-CG 4.31Å; L141-M145 WeakPolarHBondContact O-CB 3.28Å; L141-M145 WeakPolarHBondContact O-CG 3.28Å; L141-M145 PolarHBondContact O-N 3.46Å; D142-M145 PolarHBondContact O-N 3.07Å; M145-L149 HydrophobicContact SD-CB 4.46Å; M145-L149 HydrophobicContact SD-CD2 3.74Å; M145-S150 PolarHBondContact O-N 2.87Å; M145-F153 HydrophobicContact CE-CE2 4.43Å; M145-F153 HydrophobicContact CE-CZ 3.79Å; M145-L430 HydrophobicContact CB-CD1 4.06Å; M145-M591 HydrophobicContact CB-SD 4.17Å; M145-M591 HydrophobicContact CE-CE 3.84Å; M145-M591 HydrophobicContact CE-SD 3.62Å; M145-F603 HydrophobicContact CE-CE2 4.07Å; M145-F603 HydrophobicContact SD-CE2 4.03Å; M145-F603 HydrophobicContact SD-CZ 4.12Å; M145-V678 HydrophobicContact CE-CG1 3.73Å; M145-Y682 HydrophobicContact CE-CD2 4.13Å; M145-Y682 HydrophobicContact CG-CD2 3.89Å; M145-Y682 HydrophobicContact CG-CE2 4.19Å; M145-Y682 HydrophobicContact SD-CD2 4.32Å
146D85.9Confident87.3Confident39 Ų3933.2 Ų33.221%0.20916%0.155CC..Hα-helixtrans-72.2-45.6-177.1-176.950.7000113.1D142 S150 L430 Y432 S589D142-D146 WeakPolarHBondContact O-CB 3.31Å; D142-D146 PolarHBondContact O-N 3.14Å; D146-S150 WeakPolarHBondContact O-CB 3.42Å; D146-S150 PolarHBondContact O-OG 3.41Å; D146-L430 HydrophobicContact CB-CD1 3.86Å; D146-Y432 HydrophobicContact CB-CE1 3.73Å; D146-Y432 PolarHBondContact OD2-OH 2.98Å; D146-S589 VanDerWaalsContact CG-OG 3.31Å
147Q84.8Confident87.1Confident67 Ų6733.5 Ų33.531%0.31316%0.157SC..Hα-helixtrans-86-30.6-170.8-62.3-179.50.100114.1G143 R151 Y432G143-Q147 VanDerWaalsContact O-CB 3.24Å; G143-Q147 WeakPolarHBondContact O-CB 3.17Å; G143-Q147 VanDerWaalsContact O-CG 3.3Å; G143-Q147 WeakPolarHBondContact O-CG 3.45Å; G143-Q147 PolarHBondContact O-N 2.68Å; Q147-R151 PolarHBondContact O-NE 3.29Å; Q147-R151 PolarHBondContact O-NH2 2.79Å; Q147-R151 VanDerWaalsContact O-NH2 3.15Å; Q147-Y432 PolarHBondContact NE2-OH 3.28Å
148Y87.9Confident86.8Confident72 Ų7235.3 Ų35.328%0.28217%0.173SC..THydrogen-bonded Turntrans-117.8-52.7-170-59.8-85.7000113.1I144 Y610I144-Y148 HydrophobicContact CG1-CD2 4.44Å; I144-Y148 WeakPolarHBondContact O-CB 3.37Å; I144-Y148 PolarHBondContact O-N 2.85Å; I144-Y148 VanDerWaalsContact O-N 3.14Å; Y148-Y610 AromaticContact CD1-CD1 3.74Å; Y148-Y610 HydrophobicContact CD1-CD1 3.74Å; Y148-Y610 AromaticContact CD1-CE1 3.81Å; Y148-Y610 HydrophobicContact CD1-CE1 3.81Å; Y148-Y610 AromaticContact CG-CD1 3.88Å; Y148-Y610 HydrophobicContact CG-CD1 3.88Å; Y148-Y610 HydrophobicContact CG-CE1 4.2Å; Y148-Y610 HydrophobicContact CG-CG 4.35Å
149L89.4Confident86.3Confident0 Ų034.5 Ų34.50%017%0.169CC..G310 helixtrans-72.7-31.2-176-83.275000112.4I144 M145 R151 H152 F153 F603 L606 L607 Y610I144-L149 HydrophobicContact CG2-CD1 3.4Å; I144-L149 VanDerWaalsContact CG2-CD1 3.4Å; I144-L149 WeakPolarHBondContact O-CD1 3.48Å; I144-L149 PolarHBondContact O-N 3.24Å; M145-L149 HydrophobicContact SD-CB 4.46Å; M145-L149 HydrophobicContact SD-CD2 3.74Å; L149-R151 PolarHBondContact O-N 2.97Å; L149-H152 WeakPolarHBondContact O-CB 3.32Å; L149-H152 PolarHBondContact O-N 2.99Å; L149-F153 HydrophobicContact CB-CE1 3.74Å; L149-F153 HydrophobicContact CB-CZ 3.56Å; L149-F153 WeakPolarHBondContact O-CD1 3.44Å; L149-F153 VanDerWaalsContact O-CE1 3.25Å; L149-F153 WeakPolarHBondContact O-CE1 3.4Å; L149-F603 HydrophobicContact CD2-CD2 4.29Å; L149-F603 HydrophobicContact CD2-CE2 3.92Å; L149-F603 HydrophobicContact CD2-CZ 4.49Å; L149-L606 HydrophobicContact CG-CB 4.47Å; L149-L607 HydrophobicContact CD1-CD1 4.2Å; L149-L607 HydrophobicContact CD2-CB 4.16Å; L149-L607 HydrophobicContact CD2-CD1 4.28Å; L149-Y610 HydrophobicContact CD1-CD2 3.65Å; L149-Y610 HydrophobicContact CD1-CE2 4.4Å; L149-Y610 HydrophobicContact CD1-CG 4.29Å; L149-Y610 HydrophobicContact CG-CD2 4.34Å
150S88.1Confident85.4Confident7 Ų734.5 Ų34.55%0.04918%0.176CC..G310 helixtrans-50-33.617865.70000114.6M145 D146 H152 F153M145-S150 PolarHBondContact O-N 2.87Å; D146-S150 WeakPolarHBondContact O-CB 3.42Å; D146-S150 PolarHBondContact O-OG 3.41Å; S150-H152 PolarHBondContact O-N 2.88Å; S150-H152 VanDerWaalsContact O-N 3.16Å; S150-F153 VanDerWaalsContact CA-CD2 3.47Å; S150-F153 VanDerWaalsContact CA-CE2 3.43Å; S150-F153 PolarHBondContact O-N 3.4Å; S150-F153 VanDerWaalsContact O-N 3.16Å
151R88.1Confident84.2Confident188 Ų18843.9 Ų43.971%0.70922%0.216SC*.G310 helixtrans-64.8-17.5178.9-53.1179.7-169-160.9-1.8113.6Q147 L149Q147-R151 PolarHBondContact O-NE 3.29Å; Q147-R151 PolarHBondContact O-NH2 2.79Å; Q147-R151 VanDerWaalsContact O-NH2 3.15Å; L149-R151 PolarHBondContact O-N 2.97Å
152H89Confident82.9Confident46 Ų4650.3 Ų50.321%0.21325%0.247CC..G310 helixtrans-103-7.9-179.4-59.4-83.8000112.8L149 S150 L597 L606 Y610L149-H152 WeakPolarHBondContact O-CB 3.32Å; L149-H152 PolarHBondContact O-N 2.99Å; S150-H152 PolarHBondContact O-N 2.88Å; S150-H152 VanDerWaalsContact O-N 3.16Å; H152-L597 HydrophobicContact CB-CD2 4.15Å; H152-L597 WeakPolarHBondContact O-CD2 3.43Å; H152-L606 HydrophobicContact CB-CD1 4.04Å; H152-Y610 AromaticContact NE2-CE2 3.77Å; H152-Y610 AromaticContact NE2-CZ 3.76Å; H152-Y610 PolarHBondContact NE2-OH 2.65Å
153F89.8Confident82.3Confident5 Ų553.7 Ų53.72%0.02226%0.258CS..PPolyproline II helixtrans-74.1137.2-175.6-59.1-19.3000111.6M145 L149 S150 V573 M591 C595 L597 V678M145-F153 HydrophobicContact CE-CE2 4.43Å; M145-F153 HydrophobicContact CE-CZ 3.79Å; L149-F153 HydrophobicContact CB-CE1 3.74Å; L149-F153 HydrophobicContact CB-CZ 3.56Å; L149-F153 WeakPolarHBondContact O-CD1 3.44Å; L149-F153 VanDerWaalsContact O-CE1 3.25Å; L149-F153 WeakPolarHBondContact O-CE1 3.4Å; S150-F153 VanDerWaalsContact CA-CD2 3.47Å; S150-F153 VanDerWaalsContact CA-CE2 3.43Å; S150-F153 PolarHBondContact O-N 3.4Å; S150-F153 VanDerWaalsContact O-N 3.16Å; F153-V573 HydrophobicContact CB-CB 4.42Å; F153-V573 HydrophobicContact CB-CG2 4.02Å; F153-V573 PolarHBondContact O-N 3.49Å; F153-M591 HydrophobicContact CD2-CE 3.79Å; F153-M591 HydrophobicContact CE2-CE 3.14Å; F153-M591 HydrophobicContact CE2-SD 4.09Å; F153-M591 HydrophobicContact CZ-CE 3.8Å; F153-C595 HydrophobicContact CB-CB 4.35Å; F153-C595 HydrophobicContact CD2-CB 4.16Å; F153-C595 HydrophobicContact CG-CB 4.34Å; F153-L597 HydrophobicContact CD1-CD1 4.19Å; F153-L597 HydrophobicContact CD1-CD2 4.08Å; F153-L597 HydrophobicContact CD1-CG 4.05Å; F153-L597 HydrophobicContact CE1-CD1 4.13Å; F153-L597 HydrophobicContact CE1-CG 4.49Å; F153-V678 HydrophobicContact CD1-CG1 4.19Å; F153-V678 HydrophobicContact CD1-CG2 3.78Å; F153-V678 HydrophobicContact CE1-CB 4.45Å; F153-V678 HydrophobicContact CE1-CG1 3.62Å; F153-V678 HydrophobicContact CE1-CG2 3.96Å; F153-V678 HydrophobicContact CE2-CG1 4.06Å; F153-V678 HydrophobicContact CG-CG2 4.27Å; F153-V678 HydrophobicContact CZ-CG1 3.57Å
154L89.7Confident81.9Confident48 Ų4854.9 Ų54.925%0.25126%0.264SS..EExtended strand (participates in β ladder)trans-98.5153.3169-56.7176.7000108.7C595 V596 P598 L675L154-C595 WeakPolarHBondContact O-CA 3.29Å; L154-V596 HydrophobicContact CB-CG2 3.92Å; L154-V596 PolarHBondContact N-O 2.99Å; L154-V596 WeakPolarHBondContact O-CG2 3.4Å; L154-V596 PolarHBondContact O-N 2.73Å; L154-P598 HydrophobicContact CD1-CG 4.33Å; L154-L675 HydrophobicContact CD1-CD2 4.35Å
155S88.8Confident81.4Confident9 Ų955.7 Ų55.76%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-95.1129.8170.5174.90000110.3F157 L571S155-F157 VanDerWaalsContact C-N 3.26Å; S155-F157 PolarHBondContact OG-N 3.16Å; S155-F157 VanDerWaalsContact OG-N 3.08Å; S155-F157 PolarHBondContact OG-O 3.34Å; S155-L571 PolarHBondContact N-O 3.26Å; S155-L571 VanDerWaalsContact N-O 3.12Å
156I87.9Confident81.1Confident1 Ų157.9 Ų57.91%0.00528%0.283CS..SBendtrans-72.2-24.5168.2-160.1172.5000112.2L165 L173 L424 G594 V596I156-L165 HydrophobicContact CB-CD2 4.28Å; I156-L165 HydrophobicContact CD1-CD2 3.93Å; I156-L165 HydrophobicContact CG1-CD2 3.79Å; I156-L165 HydrophobicContact CG2-CD2 3.66Å; I156-L173 HydrophobicContact CD1-CB 4.19Å; I156-L173 HydrophobicContact CD1-CD2 3.65Å; I156-L173 HydrophobicContact CD1-CG 4.49Å; I156-L424 HydrophobicContact CB-CD2 4.46Å; I156-L424 HydrophobicContact CD1-CD2 3.64Å; I156-L424 HydrophobicContact CG2-CD2 3.89Å; I156-L424 HydrophobicContact CG2-CG 4.26Å; I156-G594 WeakPolarHBondContact CG2-O 3.44Å; I156-G594 PolarHBondContact N-O 3.24Å; I156-V596 HydrophobicContact CB-CG1 4.01Å; I156-V596 HydrophobicContact CB-CG2 4.3Å; I156-V596 HydrophobicContact CD1-CG1 4.45Å
157F86Confident81.2Confident7 Ų760.9 Ų60.93%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-81.8139.8-178.3-58.6-54000111.4S155 R163 T164 L165 F425 A593S155-F157 VanDerWaalsContact C-N 3.26Å; S155-F157 PolarHBondContact OG-N 3.16Å; S155-F157 VanDerWaalsContact OG-N 3.08Å; S155-F157 PolarHBondContact OG-O 3.34Å; F157-R163 VanDerWaalsContact CD1-C 3.46Å; F157-R163 HydrophobicContact CD1-CB 4.2Å; F157-R163 WeakPolarHBondContact CD1-O 3.48Å; F157-R163 HydrophobicContact CD2-CB 4.41Å; F157-R163 HydrophobicContact CD2-CG 4.39Å; F157-R163 HydrophobicContact CE1-CB 4.01Å; F157-R163 WeakPolarHBondContact CE1-O 3.44Å; F157-R163 HydrophobicContact CE2-CB 4.19Å; F157-R163 HydrophobicContact CE2-CG 4.11Å; F157-R163 HydrophobicContact CG-CB 4.41Å; F157-R163 HydrophobicContact CZ-CB 4.02Å; F157-R163 HydrophobicContact CZ-CG 4.35Å; F157-T164 CarbonylContact C-O 3.38Å; F157-T164 VanDerWaalsContact CA-O 3.27Å; F157-T164 WeakPolarHBondContact CA-O 3.41Å; F157-L165 HydrophobicContact CD1-CD2 3.63Å; F157-L165 HydrophobicContact CD1-CG 4.05Å; F157-L165 HydrophobicContact CE1-CD2 3.61Å; F157-L165 HydrophobicContact CE1-CG 3.91Å; F157-F425 HydrophobicContact CE1-CD1 4.14Å; F157-F425 AromaticContact CE1-CE1 3.69Å; F157-F425 HydrophobicContact CE1-CE1 3.69Å; F157-F425 HydrophobicContact CE1-CE2 4.16Å; F157-F425 AromaticContact CE1-CZ 3.74Å; F157-F425 HydrophobicContact CE1-CZ 3.74Å; F157-F425 AromaticContact CZ-CD1 3.94Å; F157-F425 HydrophobicContact CZ-CD1 3.94Å; F157-F425 HydrophobicContact CZ-CD2 4.35Å; F157-F425 AromaticContact CZ-CE1 3.99Å; F157-F425 HydrophobicContact CZ-CE1 3.99Å; F157-F425 HydrophobicContact CZ-CE2 4.42Å; F157-F425 HydrophobicContact CZ-CG 4.16Å; F157-F425 HydrophobicContact CZ-CZ 4.26Å; F157-A593 VanDerWaalsContact CE2-C 3.46Å; F157-A593 HydrophobicContact CE2-CB 3.9Å; F157-A593 WeakPolarHBondContact CE2-O 3.49Å
158S77.3Confident81.3Confident69 Ų6959.4 Ų59.448%0.48329%0.289SS..EExtended strand (participates in β ladder)trans-74.2-28.3172.642.30000112.9T164S158-T164 PolarHBondContact N-O 3.04Å; S158-T164 PolarHBondContact OG-O 3.09Å; S158-T164 VanDerWaalsContact OG-O 3.1Å; S158-T164 PolarHBondContact OG-OG1 2.83Å
159S68Low81.4Confident42 Ų4256.4 Ų56.429%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-136.8126.3174.8173.90000110.1K161 R163S159-K161 VanDerWaalsContact C-N 3.3Å; S159-K161 PolarHBondContact O-N 3.36Å; S159-R163 PolarHBondContact O-N 3.32Å; S159-R163 VanDerWaalsContact O-N 3.1Å
160V61.8Low81.5Confident98 Ų9856.4 Ų56.459%0.59428%0.278SS*.THydrogen-bonded Turntrans-66.7-32.1-179-177.70000111.7
161K62.5Low81.7Confident202 Ų20258.3 Ų58.388%0.87829%0.286SS*.THydrogen-bonded Turntrans-75-36.1-177.9-70.8-174.6178.4-178.60113.2S159S159-K161 VanDerWaalsContact C-N 3.3Å; S159-K161 PolarHBondContact O-N 3.36Å
162E61.6Low81.9Confident137 Ų13752.4 Ų52.464%0.6427%0.269SS*.THydrogen-bonded Turntrans-102.5-5.8-173.4-62.7-177.9165.100113.4T164E162-T164 HydrophobicContact CB-CG2 3.76Å; E162-T164 PolarHBondContact O-N 3.35Å; E162-T164 VanDerWaalsContact O-N 3.14Å
163R75.9Confident82.2Confident79 Ų7950.3 Ų50.330%0.29826%0.259SS..THydrogen-bonded Turntrans47.938.7-174.9-61.3-173.1-177.3177.75.8112.6F157 S159 F425 D427F157-R163 VanDerWaalsContact CD1-C 3.46Å; F157-R163 HydrophobicContact CD1-CB 4.2Å; F157-R163 WeakPolarHBondContact CD1-O 3.48Å; F157-R163 HydrophobicContact CD2-CB 4.41Å; F157-R163 HydrophobicContact CD2-CG 4.39Å; F157-R163 HydrophobicContact CE1-CB 4.01Å; F157-R163 WeakPolarHBondContact CE1-O 3.44Å; F157-R163 HydrophobicContact CE2-CB 4.19Å; F157-R163 HydrophobicContact CE2-CG 4.11Å; F157-R163 HydrophobicContact CG-CB 4.41Å; F157-R163 HydrophobicContact CZ-CB 4.02Å; F157-R163 HydrophobicContact CZ-CG 4.35Å; S159-R163 PolarHBondContact O-N 3.32Å; S159-R163 VanDerWaalsContact O-N 3.1Å; R163-F425 HydrophobicContact CB-CE1 4.47Å; R163-F425 PolarHBondContact NH1-O 3.39Å; R163-D427 IonicContact CZ-OD1 2.92Å; R163-D427 IonicContact CZ-OD2 3.95Å; R163-D427 IonicContact NH1-OD2 3.86Å; R163-D427 VanDerWaalsContact NH2-CG 3.31Å; R163-D427 IonicContact NH2-OD1 3.24Å; R163-D427 PolarHBondContact NH2-OD1 2.83Å; R163-D427 IonicContact NH2-OD2 2.64Å; R163-D427 PolarHBondContact NH2-OD2 3.43Å
164T77.2Confident82.4Confident32 Ų3250 Ų5020%0.19626%0.258CS..EExtended strand (participates in β ladder)trans-76.9125.8-179.645.30000110.2F157 S158 E162F157-T164 CarbonylContact C-O 3.38Å; F157-T164 VanDerWaalsContact CA-O 3.27Å; F157-T164 WeakPolarHBondContact CA-O 3.41Å; S158-T164 PolarHBondContact N-O 3.04Å; S158-T164 PolarHBondContact OG-O 3.09Å; S158-T164 VanDerWaalsContact OG-O 3.1Å; S158-T164 PolarHBondContact OG-OG1 2.83Å; E162-T164 HydrophobicContact CB-CG2 3.76Å; E162-T164 PolarHBondContact O-N 3.35Å; E162-T164 VanDerWaalsContact O-N 3.14Å
165L80.2Confident82.6Confident22 Ų2250.1 Ų50.112%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-87.7130.6175.2-76.9178.8000110.8I156 F157 L170 F198 F425I156-L165 HydrophobicContact CB-CD2 4.28Å; I156-L165 HydrophobicContact CD1-CD2 3.93Å; I156-L165 HydrophobicContact CG1-CD2 3.79Å; I156-L165 HydrophobicContact CG2-CD2 3.66Å; F157-L165 HydrophobicContact CD1-CD2 3.63Å; F157-L165 HydrophobicContact CD1-CG 4.05Å; F157-L165 HydrophobicContact CE1-CD2 3.61Å; F157-L165 HydrophobicContact CE1-CG 3.91Å; L165-L170 HydrophobicContact CD1-CD1 4.3Å; L165-F198 HydrophobicContact CD1-CE1 3.69Å; L165-F198 HydrophobicContact CD1-CZ 3.74Å; L165-F425 HydrophobicContact CD1-CE2 3.59Å; L165-F425 HydrophobicContact CD1-CZ 3.42Å; L165-F425 VanDerWaalsContact CD1-CZ 3.42Å; L165-F425 HydrophobicContact CD2-CZ 4.43Å; L165-F425 HydrophobicContact CG-CE2 4.17Å; L165-F425 HydrophobicContact CG-CZ 3.69Å
166C82.8Confident82.8Confident45 Ų4551.1 Ų51.130%0.30427%0.266SS..PPolyproline II helixtrans-81.5142164.9-170.90000110.1S168 S169 L170C166-S168 PolarHBondContact O-N 3.28Å; C166-S168 PolarHBondContact SG-OG 3.29Å; C166-S169 PolarHBondContact O-N 3.02Å; C166-L170 PolarHBondContact O-N 3.45Å; C166-L170 VanDerWaalsContact O-N 3.1Å
167R87.6Confident83.1Confident102 Ų10251.4 Ų51.439%0.38527%0.267SS..Hα-helixtrans-58.5-44.2178.8-176.7173.3178.7132.43.2112.6S169 L170 E171 D196 F199R167-S169 PolarHBondContact O-N 3.33Å; R167-L170 PolarHBondContact O-N 2.78Å; R167-E171 HydrophobicContact CG-CG 4.42Å; R167-E171 WeakPolarHBondContact CG-OE1 3.42Å; R167-E171 IonicContact CZ-OE1 3.34Å; R167-E171 IonicContact NE-OE1 3.74Å; R167-E171 PolarHBondContact NE-OE1 3.02Å; R167-E171 IonicContact NH2-OE1 2.7Å; R167-E171 VanDerWaalsContact O-CG 3.32Å; R167-E171 WeakPolarHBondContact O-CG 3.23Å; R167-E171 PolarHBondContact O-N 3.13Å; R167-D196 IonicContact CZ-OD1 2.83Å; R167-D196 IonicContact NH1-OD1 3.65Å; R167-D196 PolarHBondContact NH1-OD1 2.95Å; R167-D196 IonicContact NH2-OD1 3.73Å; R167-D196 PolarHBondContact NH2-OD1 3.05Å; R167-D196 IonicContact NH2-OD2 3.42Å; R167-F199 HydrophobicContact CB-CE2 3.86Å; R167-F199 HydrophobicContact CB-CZ 4.13Å; R167-F199 HydrophobicContact CG-CE2 4.01Å
168S88.6Confident83.5Confident37 Ų3751.1 Ų51.126%0.25927%0.265SS..Hα-helixtrans-64.3-40.4-179.854.40000112.6C166 E171 L172C166-S168 PolarHBondContact O-N 3.28Å; C166-S168 PolarHBondContact SG-OG 3.29Å; S168-E171 PolarHBondContact O-N 2.97Å; S168-L172 WeakPolarHBondContact O-CG 3.43Å; S168-L172 PolarHBondContact O-N 2.93Å
169S89.1Confident84.1Confident8 Ų848.5 Ų48.56%0.05625%0.247CC..Hα-helixtrans-62.7-42.4175.3-55.70000112.2C166 R167 L172 L173 M570C166-S169 PolarHBondContact O-N 3.02Å; R167-S169 PolarHBondContact O-N 3.33Å; S169-L172 PolarHBondContact O-N 3.19Å; S169-L173 PolarHBondContact O-N 3.5Å; S169-M570 VanDerWaalsContact CB-CE 3.47Å; S169-M570 WeakPolarHBondContact OG-CE 3.42Å
170L91.5Very high85Confident0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-66.8-41.5177.4-176.562000111.6L165 C166 R167 L172 L173 L174 F198 F199 L421L165-L170 HydrophobicContact CD1-CD1 4.3Å; C166-L170 PolarHBondContact O-N 3.45Å; C166-L170 VanDerWaalsContact O-N 3.1Å; R167-L170 PolarHBondContact O-N 2.78Å; L170-L172 PolarHBondContact O-N 3.31Å; L170-L173 PolarHBondContact O-N 2.75Å; L170-L174 HydrophobicContact CD1-CD1 4.04Å; L170-L174 HydrophobicContact CD1-CG 4.08Å; L170-L174 HydrophobicContact CD2-CD1 4.41Å; L170-L174 HydrophobicContact CG-CD1 3.87Å; L170-L174 HydrophobicContact CG-CG 4.27Å; L170-L174 WeakPolarHBondContact O-CB 3.33Å; L170-L174 WeakPolarHBondContact O-CG 3.29Å; L170-L174 PolarHBondContact O-N 3.04Å; L170-F198 HydrophobicContact CD2-CB 4.27Å; L170-F198 HydrophobicContact CD2-CD1 3.66Å; L170-F198 HydrophobicContact CD2-CE1 4.29Å; L170-F198 HydrophobicContact CD2-CG 4.03Å; L170-F199 HydrophobicContact CD2-CE2 3.88Å; L170-F199 HydrophobicContact CD2-CZ 4.37Å; L170-L421 HydrophobicContact CD1-CD1 4.17Å; L170-L421 HydrophobicContact CD1-CD2 3.55Å
171E92.9Very high86.4Confident47 Ų4743.1 Ų43.122%0.2221%0.213CC..Hα-helixtrans-59.4-45.3175.7-74.6172.2178.900111.2R167 S168 L173 L174 E175 C195R167-E171 HydrophobicContact CG-CG 4.42Å; R167-E171 WeakPolarHBondContact CG-OE1 3.42Å; R167-E171 IonicContact CZ-OE1 3.34Å; R167-E171 IonicContact NE-OE1 3.74Å; R167-E171 PolarHBondContact NE-OE1 3.02Å; R167-E171 IonicContact NH2-OE1 2.7Å; R167-E171 VanDerWaalsContact O-CG 3.32Å; R167-E171 WeakPolarHBondContact O-CG 3.23Å; R167-E171 PolarHBondContact O-N 3.13Å; S168-E171 PolarHBondContact O-N 2.97Å; E171-L173 VanDerWaalsContact C-N 3.31Å; E171-L173 PolarHBondContact O-N 3Å; E171-L174 PolarHBondContact O-N 3.27Å; E171-E175 VanDerWaalsContact O-CB 3.31Å; E171-E175 WeakPolarHBondContact O-CB 3.43Å; E171-E175 WeakPolarHBondContact O-CG 3.41Å; E171-E175 PolarHBondContact O-N 3.25Å; E171-C195 HydrophobicContact CG-CB 4.35Å; E171-C195 WeakPolarHBondContact CG-SG 3.42Å
172L92.8Very high87.6Confident65 Ų6533.8 Ų33.834%0.3417%0.173SC..Hα-helixtrans-61.8-35.9177.1-74.1172.2000113.5S168 S169 L170 M570 G674 L675S168-L172 WeakPolarHBondContact O-CG 3.43Å; S168-L172 PolarHBondContact O-N 2.93Å; S169-L172 PolarHBondContact O-N 3.19Å; L170-L172 PolarHBondContact O-N 3.31Å; L172-M570 HydrophobicContact CD1-CE 4.02Å; L172-G674 WeakPolarHBondContact O-CA 3.43Å; L172-L675 HydrophobicContact CB-CD1 4.15Å; L172-L675 HydrophobicContact CB-CG 4.23Å; L172-L675 PolarHBondContact O-N 3.47Å
173L94.2Very high88.7Confident1 Ų127.4 Ų27.41%0.00514%0.144CC..Hα-helixtrans-71.3-47.6175.3-179.869.5000111.1I156 S169 L170 E171 A176 Y177 M420 L421 L424 L675I156-L173 HydrophobicContact CD1-CB 4.19Å; I156-L173 HydrophobicContact CD1-CD2 3.65Å; I156-L173 HydrophobicContact CD1-CG 4.49Å; S169-L173 PolarHBondContact O-N 3.5Å; L170-L173 PolarHBondContact O-N 2.75Å; E171-L173 VanDerWaalsContact C-N 3.31Å; E171-L173 PolarHBondContact O-N 3Å; L173-A176 PolarHBondContact O-N 2.99Å; L173-Y177 WeakPolarHBondContact O-CB 3.4Å; L173-Y177 PolarHBondContact O-N 3.25Å; L173-M420 HydrophobicContact CD1-CE 4.47Å; L173-M420 HydrophobicContact CD1-SD 4.29Å; L173-M420 HydrophobicContact CD2-CE 3.77Å; L173-M420 HydrophobicContact CD2-SD 4.46Å; L173-M420 HydrophobicContact CG-CE 3.9Å; L173-M420 HydrophobicContact CG-SD 4.36Å; L173-L421 HydrophobicContact CD2-CD2 3.76Å; L173-L424 HydrophobicContact CD2-CD2 3.61Å; L173-L675 HydrophobicContact CB-CB 4.38Å; L173-L675 HydrophobicContact CD1-CB 4.23Å; L173-L675 WeakPolarHBondContact CD1-O 3.45Å
174L95.1Very high89Confident0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-70.4-40.5-176.5-70.5-179.8000112.3L170 E171 A176 Y177 F178 S191 M194 C195 A417 M420 L421L170-L174 HydrophobicContact CD1-CD1 4.04Å; L170-L174 HydrophobicContact CD1-CG 4.08Å; L170-L174 HydrophobicContact CD2-CD1 4.41Å; L170-L174 HydrophobicContact CG-CD1 3.87Å; L170-L174 HydrophobicContact CG-CG 4.27Å; L170-L174 WeakPolarHBondContact O-CB 3.33Å; L170-L174 WeakPolarHBondContact O-CG 3.29Å; L170-L174 PolarHBondContact O-N 3.04Å; E171-L174 PolarHBondContact O-N 3.27Å; L174-A176 VanDerWaalsContact C-N 3.33Å; L174-A176 PolarHBondContact O-N 2.83Å; L174-Y177 PolarHBondContact O-N 3.24Å; L174-F178 HydrophobicContact CB-CD2 4.05Å; L174-F178 HydrophobicContact CB-CE2 4.06Å; L174-F178 HydrophobicContact CD2-CE2 3.96Å; L174-F178 HydrophobicContact CG-CE2 4.42Å; L174-F178 WeakPolarHBondContact O-CB 3.31Å; L174-F178 WeakPolarHBondContact O-CD2 3.3Å; L174-F178 PolarHBondContact O-N 3.41Å; L174-S191 VanDerWaalsContact C-OG 3.24Å; L174-S191 PolarHBondContact O-OG 3.36Å; L174-M194 HydrophobicContact CD1-CB 4.05Å; L174-M194 HydrophobicContact CD1-CG 3.67Å; L174-M194 HydrophobicContact CD2-CG 4.3Å; L174-C195 VanDerWaalsContact CD1-SG 3.59Å; L174-A417 HydrophobicContact CD2-CB 4.02Å; L174-M420 HydrophobicContact CD2-CE 4.16Å; L174-L421 HydrophobicContact CD2-CD1 4.45Å
175E93.8Very high89.4Confident49 Ų4934.9 Ų34.923%0.22918%0.18CC..Hα-helixtrans-56.5-46.3173.5-76.6-168.9176.800111.9E171 C179 S191E171-E175 VanDerWaalsContact O-CB 3.31Å; E171-E175 WeakPolarHBondContact O-CB 3.43Å; E171-E175 WeakPolarHBondContact O-CG 3.41Å; E171-E175 PolarHBondContact O-N 3.25Å; E175-C179 WeakPolarHBondContact O-CB 3.01Å; E175-C179 PolarHBondContact O-N 3.41Å; E175-S191 WeakPolarHBondContact CA-OG 3.4Å; E175-S191 PolarHBondContact N-OG 3.29Å; E175-S191 VanDerWaalsContact N-OG 3.11Å
176A92.1Very high89.9Confident30 Ų3035.8 Ų35.825%0.24819%0.185CC..Hα-helixtrans-59.8-46.7174.400000112L173 L174 V599 L675L173-A176 PolarHBondContact O-N 2.99Å; L174-A176 VanDerWaalsContact C-N 3.33Å; L174-A176 PolarHBondContact O-N 2.83Å; A176-V599 HydrophobicContact CB-CG1 3.69Å; A176-L675 WeakPolarHBondContact CB-O 3.34Å
177Y93.9Very high90.3Very high8 Ų834.9 Ų34.93%0.03118%0.176CC..Hα-helixtrans-62-49.1-179.5177.6-88.6000112.8G80 D81 L173 L174 R181 A413 G416 A417 M420G80-Y177 PolarHBondContact O-OH 2.92Å; D81-Y177 HydrophobicContact CB-CE2 3.97Å; D81-Y177 WeakPolarHBondContact OD2-CD2 3.43Å; D81-Y177 VanDerWaalsContact OD2-CE2 3.3Å; D81-Y177 WeakPolarHBondContact OD2-CE2 3.34Å; L173-Y177 WeakPolarHBondContact O-CB 3.4Å; L173-Y177 PolarHBondContact O-N 3.25Å; L174-Y177 PolarHBondContact O-N 3.24Å; Y177-R181 VanDerWaalsContact CZ-CZ 3.47Å; Y177-R181 PolarHBondContact O-NH1 2.94Å; Y177-R181 VanDerWaalsContact O-NH1 3.1Å; Y177-R181 PolarHBondContact OH-NE 2.95Å; Y177-A413 VanDerWaalsContact CE1-O 3.26Å; Y177-A413 WeakPolarHBondContact CE1-O 3.42Å; Y177-G416 VanDerWaalsContact OH-CA 3.27Å; Y177-G416 WeakPolarHBondContact OH-CA 3.48Å; Y177-A417 HydrophobicContact CD1-CB 3.96Å; Y177-A417 HydrophobicContact CE1-CB 3.7Å; Y177-A417 PolarHBondContact OH-N 3.35Å; Y177-M420 HydrophobicContact CD2-CE 4.11Å; Y177-M420 HydrophobicContact CD2-SD 3.51Å; Y177-M420 VanDerWaalsContact CD2-SD 3.51Å; Y177-M420 HydrophobicContact CE2-CB 4.42Å; Y177-M420 HydrophobicContact CE2-SD 4.13Å; Y177-M420 HydrophobicContact CG-CE 4.28Å; Y177-M420 HydrophobicContact CG-SD 4.18Å
178F94.3Very high90.6Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-75.9-29.1-175.9-74.6-62.8000112.8L174 G180 R181 V182 H187 I190 S191 M194 A413 L414 A417L174-F178 HydrophobicContact CB-CD2 4.05Å; L174-F178 HydrophobicContact CB-CE2 4.06Å; L174-F178 HydrophobicContact CD2-CE2 3.96Å; L174-F178 HydrophobicContact CG-CE2 4.42Å; L174-F178 WeakPolarHBondContact O-CB 3.31Å; L174-F178 WeakPolarHBondContact O-CD2 3.3Å; L174-F178 PolarHBondContact O-N 3.41Å; F178-G180 PolarHBondContact O-N 3.43Å; F178-R181 PolarHBondContact O-N 3.26Å; F178-V182 HydrophobicContact CB-CB 4.41Å; F178-V182 HydrophobicContact CB-CG2 4.24Å; F178-V182 HydrophobicContact CD1-CG2 3.67Å; F178-V182 HydrophobicContact CG-CG2 4.35Å; F178-V182 WeakPolarHBondContact O-CB 3.29Å; F178-V182 PolarHBondContact O-N 2.97Å; F178-H187 HydrophobicContact CB-CB 4.08Å; F178-I190 HydrophobicContact CD1-CG2 3.87Å; F178-I190 HydrophobicContact CD2-CG2 4.29Å; F178-I190 HydrophobicContact CE1-CG2 3.79Å; F178-I190 HydrophobicContact CE2-CG2 4.22Å; F178-I190 HydrophobicContact CG-CG2 4.13Å; F178-I190 HydrophobicContact CZ-CG2 3.98Å; F178-S191 WeakPolarHBondContact CD2-OG 3.3Å; F178-M194 HydrophobicContact CE2-CB 3.88Å; F178-M194 HydrophobicContact CE2-CG 4.05Å; F178-M194 HydrophobicContact CZ-CB 4.08Å; F178-M194 HydrophobicContact CZ-CG 4.1Å; F178-A413 HydrophobicContact CD1-CB 3.88Å; F178-A413 HydrophobicContact CE1-CB 3.74Å; F178-L414 HydrophobicContact CE1-CD1 4.07Å; F178-L414 HydrophobicContact CE1-CG 4.4Å; F178-L414 HydrophobicContact CZ-CD1 4.26Å; F178-L414 HydrophobicContact CZ-CG 4.2Å; F178-A417 HydrophobicContact CE1-CB 4.41Å; F178-A417 HydrophobicContact CE2-CB 4.4Å; F178-A417 HydrophobicContact CZ-CB 3.83Å
179C89.8Confident90.9Very high15 Ų1537.2 Ų37.210%0.10119%0.185CC..Hα-helixtrans-55.8-39-179.9-167.20000112.3P31 E175 R181 G183 H187P31-C179 HydrophobicContact CB-CB 4.48Å; P31-C179 WeakPolarHBondContact CB-SG 3.33Å; E175-C179 WeakPolarHBondContact O-CB 3.01Å; E175-C179 PolarHBondContact O-N 3.41Å; C179-R181 VanDerWaalsContact C-N 3.33Å; C179-R181 PolarHBondContact O-N 3.03Å; C179-G183 PolarHBondContact O-N 3Å; C179-H187 HydrophobicContact CB-CB 4.36Å
180G87.8Confident91.2Very high11 Ų1136.8 Ų36.811%0.11318%0.182CC..THydrogen-bonded Turntrans-824.9177.300000116.5K84 F178K84-G180 PolarHBondContact NZ-O 3.36Å; F178-G180 PolarHBondContact O-N 3.43Å
181R90Very high91.4Very high15 Ų1536.8 Ų36.86%0.05718%0.182CC..THydrogen-bonded Turntrans-133.9-43.4-172.4-70.3171168.871.516114.2R49 D81 Y177 F178 C179 Q409 A413R49-R181 WeakPolarHBondContact CB-O 3.5Å; D81-R181 IonicContact OD1-CZ 3.18Å; D81-R181 IonicContact OD1-NH1 3.23Å; D81-R181 PolarHBondContact OD1-NH1 3.14Å; D81-R181 IonicContact OD1-NH2 3.37Å; D81-R181 PolarHBondContact OD1-NH2 3.19Å; D81-R181 IonicContact OD2-CZ 3.63Å; D81-R181 IonicContact OD2-NH1 3.39Å; D81-R181 PolarHBondContact OD2-NH1 3.36Å; D81-R181 IonicContact OD2-NH2 3.47Å; D81-R181 PolarHBondContact OD2-NH2 3.4Å; Y177-R181 VanDerWaalsContact CZ-CZ 3.47Å; Y177-R181 PolarHBondContact O-NH1 2.94Å; Y177-R181 VanDerWaalsContact O-NH1 3.1Å; Y177-R181 PolarHBondContact OH-NE 2.95Å; F178-R181 PolarHBondContact O-N 3.26Å; C179-R181 VanDerWaalsContact C-N 3.33Å; C179-R181 PolarHBondContact O-N 3.03Å; R181-Q409 PolarHBondContact O-NE2 3.28Å; R181-Q409 VanDerWaalsContact O-NE2 3.12Å; R181-A413 HydrophobicContact CB-CB 4.13Å
182V89.3Confident91.6Very high7 Ų738.9 Ų38.94%0.04219%0.192CC..THydrogen-bonded Turntrans-93.1-31.5-179.51680000110.1F178 N186 I190 A413F178-V182 HydrophobicContact CB-CB 4.41Å; F178-V182 HydrophobicContact CB-CG2 4.24Å; F178-V182 HydrophobicContact CD1-CG2 3.67Å; F178-V182 HydrophobicContact CG-CG2 4.35Å; F178-V182 WeakPolarHBondContact O-CB 3.29Å; F178-V182 PolarHBondContact O-N 2.97Å; V182-N186 HydrophobicContact CG1-CB 3.57Å; V182-I190 HydrophobicContact CG1-CB 4.45Å; V182-I190 HydrophobicContact CG1-CG1 4.02Å; V182-I190 HydrophobicContact CG2-CG2 4.29Å; V182-A413 HydrophobicContact CG2-CB 4.05Å
183G83.6Confident91.7Very high2 Ų236.4 Ų36.42%0.02118%0.179CC..  trans91.7167.4-177.100000113.3C179 N185 N186 H187C179-G183 PolarHBondContact O-N 3Å; G183-N185 VanDerWaalsContact C-N 3.3Å; G183-N185 PolarHBondContact O-N 3.17Å; G183-N186 PolarHBondContact O-N 3.07Å; G183-H187 WeakPolarHBondContact O-CB 3.45Å; G183-H187 PolarHBondContact O-N 3.17Å; G183-H187 VanDerWaalsContact O-N 3.08Å; G183-H187 PolarHBondContact O-ND1 2.83Å
184R82.9Confident91.7Very high114 Ų11436.3 Ų36.343%0.4318%0.178SC..THydrogen-bonded Turntrans-63-30.2-168.1-72.2-172.7173.4-162.1-12.9115.2P31 E32 H187P31-R184 PolarHBondContact O-NE 3.11Å; E32-R184 VanDerWaalsContact CD-NH1 3.35Å; E32-R184 IonicContact OE1-CZ 2.82Å; E32-R184 IonicContact OE1-NH1 3.55Å; E32-R184 PolarHBondContact OE1-NH1 3.15Å; E32-R184 IonicContact OE1-NH2 3.39Å; E32-R184 PolarHBondContact OE1-NH2 3.07Å; E32-R184 IonicContact OE2-CZ 3.17Å; E32-R184 IonicContact OE2-NE 2.65Å; E32-R184 IonicContact OE2-NH1 2.75Å; E32-R184 PolarHBondContact OE2-NH1 3.42Å; E32-R184 IonicContact OE2-NH2 2.86Å; E32-R184 PolarHBondContact OE2-NH2 3.02Å; R184-H187 VanDerWaalsContact C-ND1 3.33Å; R184-H187 WeakPolarHBondContact CA-ND1 3.34Å; R184-H187 PolarHBondContact O-CE1 2.92Å; R184-H187 PolarHBondContact O-ND1 3.1Å
185N86Confident91.6Very high155 Ų15536.3 Ų36.383%0.82918%0.178SC*.THydrogen-bonded Turntrans-70.7-38.5-174.1-60.6-6.7000111.8G183G183-N185 VanDerWaalsContact C-N 3.3Å; G183-N185 PolarHBondContact O-N 3.17Å
186N89.9Confident91.6Very high41 Ų4136.4 Ų36.422%0.21918%0.18CC..THydrogen-bonded Turntrans-113.4-12.9-169.8-59.2-18.2000113.7V182 G183 K188 F189 I190 V230V182-N186 HydrophobicContact CG1-CB 3.57Å; G183-N186 PolarHBondContact O-N 3.07Å; N186-K188 PolarHBondContact O-N 3.34Å; N186-F189 PolarHBondContact O-N 3.48Å; N186-I190 HydrophobicContact CB-CG1 4.31Å; N186-I190 WeakPolarHBondContact O-CG1 3.39Å; N186-I190 PolarHBondContact O-N 2.93Å; N186-V230 HydrophobicContact CB-CG1 4.26Å
187H91.4Very high91.7Very high25 Ų2535 Ų3512%0.11617%0.169CC..Hα-helixtrans-55-45.6-172.770.6-65.3000113.7F178 C179 G183 R184 F189 I190 S191F178-H187 HydrophobicContact CB-CB 4.08Å; C179-H187 HydrophobicContact CB-CB 4.36Å; G183-H187 WeakPolarHBondContact O-CB 3.45Å; G183-H187 PolarHBondContact O-N 3.17Å; G183-H187 VanDerWaalsContact O-N 3.08Å; G183-H187 PolarHBondContact O-ND1 2.83Å; R184-H187 VanDerWaalsContact C-ND1 3.33Å; R184-H187 WeakPolarHBondContact CA-ND1 3.34Å; R184-H187 PolarHBondContact O-CE1 2.92Å; R184-H187 PolarHBondContact O-ND1 3.1Å; H187-F189 PolarHBondContact O-N 3.46Å; H187-I190 PolarHBondContact O-N 3.41Å; H187-S191 WeakPolarHBondContact O-CB 3.36Å; H187-S191 PolarHBondContact O-N 3.47Å; H187-S191 PolarHBondContact O-OG 3.36Å
188K93.4Very high91.5Very high122 Ų12235.1 Ų35.153%0.5317%0.169SC..Hα-helixtrans-60.3-48.3179.9-66.9-170.2175.9-173.80112.4N186 S191 Q192N186-K188 PolarHBondContact O-N 3.34Å; K188-S191 WeakPolarHBondContact O-CB 3.35Å; K188-S191 PolarHBondContact O-N 3.48Å; K188-Q192 WeakPolarHBondContact O-CG 3.49Å; K188-Q192 PolarHBondContact O-N 3.42Å
189F95.4Very high91.2Very high66 Ų6638 Ų3829%0.28918%0.182SC..Hα-helixtrans-62.2-45.7178.6171.8-99.7000111.4N186 H187 S191 Q192 L193 V230N186-F189 PolarHBondContact O-N 3.48Å; H187-F189 PolarHBondContact O-N 3.46Å; F189-S191 PolarHBondContact O-N 2.82Å; F189-Q192 PolarHBondContact O-N 3.17Å; F189-L193 WeakPolarHBondContact O-CB 3.49Å; F189-L193 PolarHBondContact O-N 2.88Å; F189-V230 HydrophobicContact CD1-CG1 4.2Å; F189-V230 HydrophobicContact CE1-CG1 4.26Å; F189-V230 WeakPolarHBondContact CE1-O 3.47Å
190I95.8Very high91.2Very high0 Ų041.8 Ų41.80%020%0.197CC..Hα-helixtrans-65.7-37.5178-65-62000111.7F178 V182 N186 H187 L193 M194 V230 L414F178-I190 HydrophobicContact CD1-CG2 3.87Å; F178-I190 HydrophobicContact CD2-CG2 4.29Å; F178-I190 HydrophobicContact CE1-CG2 3.79Å; F178-I190 HydrophobicContact CE2-CG2 4.22Å; F178-I190 HydrophobicContact CG-CG2 4.13Å; F178-I190 HydrophobicContact CZ-CG2 3.98Å; V182-I190 HydrophobicContact CG1-CB 4.45Å; V182-I190 HydrophobicContact CG1-CG1 4.02Å; V182-I190 HydrophobicContact CG2-CG2 4.29Å; N186-I190 HydrophobicContact CB-CG1 4.31Å; N186-I190 WeakPolarHBondContact O-CG1 3.39Å; N186-I190 PolarHBondContact O-N 2.93Å; H187-I190 PolarHBondContact O-N 3.41Å; I190-L193 HydrophobicContact CD1-CD2 4.43Å; I190-L193 PolarHBondContact O-N 3.37Å; I190-M194 VanDerWaalsContact O-CB 3.32Å; I190-M194 WeakPolarHBondContact O-CB 3.48Å; I190-M194 PolarHBondContact O-N 3.48Å; I190-V230 HydrophobicContact CD1-CG1 4.03Å; I190-L414 HydrophobicContact CG2-CD1 3.7Å
191S95.7Very high91.1Very high0 Ų041.3 Ų41.30%019%0.192CC..Hα-helixtrans-60.7-45.7172.9-66.10000112L174 E175 F178 H187 K188 F189 M194 C195L174-S191 VanDerWaalsContact C-OG 3.24Å; L174-S191 PolarHBondContact O-OG 3.36Å; E175-S191 WeakPolarHBondContact CA-OG 3.4Å; E175-S191 PolarHBondContact N-OG 3.29Å; E175-S191 VanDerWaalsContact N-OG 3.11Å; F178-S191 WeakPolarHBondContact CD2-OG 3.3Å; H187-S191 WeakPolarHBondContact O-CB 3.36Å; H187-S191 PolarHBondContact O-N 3.47Å; H187-S191 PolarHBondContact O-OG 3.36Å; K188-S191 WeakPolarHBondContact O-CB 3.35Å; K188-S191 PolarHBondContact O-N 3.48Å; F189-S191 PolarHBondContact O-N 2.82Å; S191-M194 PolarHBondContact O-N 3.25Å; S191-C195 WeakPolarHBondContact O-CB 3.44Å; S191-C195 PolarHBondContact O-N 3.06Å; S191-C195 PolarHBondContact O-SG 3.48Å
192Q95.6Very high90.5Very high90 Ų9041.5 Ų41.542%0.42119%0.194SC..Hα-helixtrans-64.2-45177.7-73.2173.6-1400111.6K188 F189 M194 C195 D196K188-Q192 WeakPolarHBondContact O-CG 3.49Å; K188-Q192 PolarHBondContact O-N 3.42Å; F189-Q192 PolarHBondContact O-N 3.17Å; Q192-M194 VanDerWaalsContact C-N 3.3Å; Q192-M194 PolarHBondContact O-N 3Å; Q192-C195 WeakPolarHBondContact O-CB 3.45Å; Q192-C195 PolarHBondContact O-N 2.89Å; Q192-D196 WeakPolarHBondContact O-CB 3.36Å; Q192-D196 PolarHBondContact O-N 3.01Å
193L96.3Very high89.3Confident13 Ų1344.5 Ų44.57%0.06821%0.212CC..Hα-helixtrans-57.8-44.5175.4-175.570.3000111.2F189 I190 D196 Y197 I235 V397 L399F189-L193 WeakPolarHBondContact O-CB 3.49Å; F189-L193 PolarHBondContact O-N 2.88Å; I190-L193 HydrophobicContact CD1-CD2 4.43Å; I190-L193 PolarHBondContact O-N 3.37Å; L193-D196 PolarHBondContact O-N 3.39Å; L193-Y197 WeakPolarHBondContact O-CB 3.43Å; L193-Y197 PolarHBondContact O-N 2.91Å; L193-I235 HydrophobicContact CD1-CD1 4.06Å; L193-I235 HydrophobicContact CD1-CG1 3.82Å; L193-V397 HydrophobicContact CD2-CG1 4.09Å; L193-L399 HydrophobicContact CD2-CD2 3.8Å
194M94.4Very high87.7Confident0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-67.7-40.4178178.557.4-157.100112.2L174 F178 I190 S191 Q192 Y197 F198 L414 F418 L421L174-M194 HydrophobicContact CD1-CB 4.05Å; L174-M194 HydrophobicContact CD1-CG 3.67Å; L174-M194 HydrophobicContact CD2-CG 4.3Å; F178-M194 HydrophobicContact CE2-CB 3.88Å; F178-M194 HydrophobicContact CE2-CG 4.05Å; F178-M194 HydrophobicContact CZ-CB 4.08Å; F178-M194 HydrophobicContact CZ-CG 4.1Å; I190-M194 VanDerWaalsContact O-CB 3.32Å; I190-M194 WeakPolarHBondContact O-CB 3.48Å; I190-M194 PolarHBondContact O-N 3.48Å; S191-M194 PolarHBondContact O-N 3.25Å; Q192-M194 VanDerWaalsContact C-N 3.3Å; Q192-M194 PolarHBondContact O-N 3Å; M194-Y197 PolarHBondContact O-N 3.26Å; M194-Y197 HydrophobicContact SD-CD1 4.29Å; M194-F198 HydrophobicContact CE-CB 4.49Å; M194-F198 WeakPolarHBondContact O-CB 3.48Å; M194-F198 PolarHBondContact O-N 3.39Å; M194-L414 HydrophobicContact SD-CD2 4.47Å; M194-L414 HydrophobicContact SD-CG 4.47Å; M194-F418 HydrophobicContact CE-CD1 3.81Å; M194-F418 HydrophobicContact CE-CD2 3.7Å; M194-F418 HydrophobicContact CE-CE1 3.39Å; M194-F418 HydrophobicContact CE-CE2 3.26Å; M194-F418 HydrophobicContact CE-CG 3.95Å; M194-F418 HydrophobicContact CE-CZ 3.09Å; M194-F418 HydrophobicContact SD-CD2 4.18Å; M194-F418 HydrophobicContact SD-CE2 3.53Å; M194-F418 VanDerWaalsContact SD-CE2 3.53Å; M194-F418 HydrophobicContact SD-CZ 3.8Å; M194-L421 HydrophobicContact CE-CD1 4.05Å
195C93.1Very high86.3Confident0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-58.7-49.6171.8-82.60000111.7E171 L174 S191 Q192 Y197 F198 F199E171-C195 HydrophobicContact CG-CB 4.35Å; E171-C195 WeakPolarHBondContact CG-SG 3.42Å; L174-C195 VanDerWaalsContact CD1-SG 3.59Å; S191-C195 WeakPolarHBondContact O-CB 3.44Å; S191-C195 PolarHBondContact O-N 3.06Å; S191-C195 PolarHBondContact O-SG 3.48Å; Q192-C195 WeakPolarHBondContact O-CB 3.45Å; Q192-C195 PolarHBondContact O-N 2.89Å; C195-Y197 VanDerWaalsContact C-N 3.28Å; C195-Y197 PolarHBondContact O-N 3.43Å; C195-F198 WeakPolarHBondContact O-CB 3.31Å; C195-F198 PolarHBondContact O-N 3.23Å; C195-F199 WeakPolarHBondContact O-CD2 3.42Å; C195-F199 PolarHBondContact O-N 3.45Å
196D93.8Very high84.9Confident51 Ų5150 Ų5027%0.27325%0.252SS..Hα-helixtrans-61.5-40.3178.9-77.2-28.4000111.4R167 Q192 L193 K200 I235R167-D196 IonicContact CZ-OD1 2.83Å; R167-D196 IonicContact NH1-OD1 3.65Å; R167-D196 PolarHBondContact NH1-OD1 2.95Å; R167-D196 IonicContact NH2-OD1 3.73Å; R167-D196 PolarHBondContact NH2-OD1 3.05Å; R167-D196 IonicContact NH2-OD2 3.42Å; Q192-D196 WeakPolarHBondContact O-CB 3.36Å; Q192-D196 PolarHBondContact O-N 3.01Å; L193-D196 PolarHBondContact O-N 3.39Å; D196-K200 VanDerWaalsContact O-CB 3.28Å; D196-K200 WeakPolarHBondContact O-CB 3.38Å; D196-K200 WeakPolarHBondContact O-CG 3.18Å; D196-K200 PolarHBondContact O-N 3.32Å; D196-I235 HydrophobicContact CB-CD1 3.58Å
197Y92.9Very high83.4Confident1 Ų148.6 Ų48.60%0.00425%0.247CC..Hα-helixtrans-63.8-46.6176.8-178.3-118.5000111L193 M194 C195 F199 K200 C201 V214 I235 H395 V397 F418L193-Y197 WeakPolarHBondContact O-CB 3.43Å; L193-Y197 PolarHBondContact O-N 2.91Å; M194-Y197 PolarHBondContact O-N 3.26Å; M194-Y197 HydrophobicContact SD-CD1 4.29Å; C195-Y197 VanDerWaalsContact C-N 3.28Å; C195-Y197 PolarHBondContact O-N 3.43Å; Y197-F199 PolarHBondContact O-N 3.32Å; Y197-K200 PolarHBondContact O-N 3.07Å; Y197-C201 WeakPolarHBondContact CE2-SG 3.48Å; Y197-C201 VanDerWaalsContact CZ-SG 3.55Å; Y197-C201 WeakPolarHBondContact O-CB 3.32Å; Y197-C201 PolarHBondContact O-N 3.28Å; Y197-C201 PolarHBondContact O-SG 3.21Å; Y197-V214 HydrophobicContact CE1-CG1 4.47Å; Y197-I235 HydrophobicContact CD2-CG1 4.27Å; Y197-I235 HydrophobicContact CD2-CG2 4Å; Y197-I235 VanDerWaalsContact N-CD1 3.28Å; Y197-H395 HydrophobicContact CD2-CB 4.18Å; Y197-H395 HydrophobicContact CE2-CB 3.8Å; Y197-H395 WeakPolarHBondContact CE2-O 3.37Å; Y197-H395 PolarHBondContact OH-O 3Å; Y197-V397 HydrophobicContact CD1-CG2 3.61Å; Y197-V397 HydrophobicContact CD2-CG2 3.29Å; Y197-V397 HydrophobicContact CE1-CG2 3.77Å; Y197-V397 HydrophobicContact CE2-CG2 3.44Å; Y197-V397 VanDerWaalsContact CE2-CG2 3.44Å; Y197-V397 HydrophobicContact CG-CG2 3.38Å; Y197-F418 AromaticContact CD1-CE2 3.78Å; Y197-F418 HydrophobicContact CD1-CE2 3.78Å; Y197-F418 AromaticContact CD1-CZ 3.47Å; Y197-F418 HydrophobicContact CD1-CZ 3.47Å; Y197-F418 VanDerWaalsContact CD1-CZ 3.47Å; Y197-F418 AromaticContact CE1-CE2 3.61Å; Y197-F418 HydrophobicContact CE1-CE2 3.61Å; Y197-F418 AromaticContact CE1-CZ 3.38Å; Y197-F418 HydrophobicContact CE1-CZ 3.38Å
198F89.9Confident82.3Confident9 Ų950.3 Ų50.34%0.03926%0.256CS..Hα-helixtrans-54.6-53.2175.7-179-96.1000112L165 L170 M194 C195 K200 C201 M202 F211 F418 L421 F425L165-F198 HydrophobicContact CD1-CE1 3.69Å; L165-F198 HydrophobicContact CD1-CZ 3.74Å; L170-F198 HydrophobicContact CD2-CB 4.27Å; L170-F198 HydrophobicContact CD2-CD1 3.66Å; L170-F198 HydrophobicContact CD2-CE1 4.29Å; L170-F198 HydrophobicContact CD2-CG 4.03Å; M194-F198 HydrophobicContact CE-CB 4.49Å; M194-F198 WeakPolarHBondContact O-CB 3.48Å; M194-F198 PolarHBondContact O-N 3.39Å; C195-F198 WeakPolarHBondContact O-CB 3.31Å; C195-F198 PolarHBondContact O-N 3.23Å; F198-K200 VanDerWaalsContact C-N 3.32Å; F198-K200 PolarHBondContact O-N 2.99Å; F198-C201 PolarHBondContact O-N 3.47Å; F198-M202 HydrophobicContact CD1-CG 4.49Å; F198-M202 HydrophobicContact CD2-CG 3.92Å; F198-M202 HydrophobicContact CE1-CG 4.28Å; F198-M202 HydrophobicContact CE2-CE 3.84Å; F198-M202 HydrophobicContact CE2-CG 3.66Å; F198-M202 HydrophobicContact CE2-SD 4.34Å; F198-M202 HydrophobicContact CG-CG 4.32Å; F198-M202 HydrophobicContact CZ-CB 4.45Å; F198-M202 HydrophobicContact CZ-CE 4.03Å; F198-M202 HydrophobicContact CZ-CG 3.87Å; F198-M202 VanDerWaalsContact O-CB 3.26Å; F198-M202 WeakPolarHBondContact O-CB 3.32Å; F198-M202 WeakPolarHBondContact O-CG 3.35Å; F198-M202 PolarHBondContact O-N 3.38Å; F198-F211 HydrophobicContact CD2-CE1 4.23Å; F198-F211 HydrophobicContact CD2-CZ 4.37Å; F198-F211 AromaticContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE2 4.31Å; F198-F211 AromaticContact CE2-CZ 3.33Å; F198-F211 HydrophobicContact CE2-CZ 3.33Å; F198-F211 AromaticContact CZ-CZ 3.91Å; F198-F211 HydrophobicContact CZ-CZ 3.91Å; F198-F418 HydrophobicContact CD2-CE1 4.47Å; F198-L421 HydrophobicContact CD2-CD1 4.45Å; F198-F425 HydrophobicContact CZ-CZ 4.31Å
199F88.4Confident81.3Confident62 Ų6249.4 Ų49.427%0.27226%0.257SS..Hα-helixtrans-71.4-23.2-178.8-74.2-71.1000114R167 L170 C195 Y197R167-F199 HydrophobicContact CB-CE2 3.86Å; R167-F199 HydrophobicContact CB-CZ 4.13Å; R167-F199 HydrophobicContact CG-CE2 4.01Å; L170-F199 HydrophobicContact CD2-CE2 3.88Å; L170-F199 HydrophobicContact CD2-CZ 4.37Å; C195-F199 WeakPolarHBondContact O-CD2 3.42Å; C195-F199 PolarHBondContact O-N 3.45Å; Y197-F199 PolarHBondContact O-N 3.32Å
200K89.7Confident80.6Confident93 Ų9346.5 Ų46.540%0.40425%0.245SC..Hα-helixtrans-76.4-34.5173.1-78.7177.4-179.6177.70112.8D196 Y197 F198 I235 H395D196-K200 VanDerWaalsContact O-CB 3.28Å; D196-K200 WeakPolarHBondContact O-CB 3.38Å; D196-K200 WeakPolarHBondContact O-CG 3.18Å; D196-K200 PolarHBondContact O-N 3.32Å; Y197-K200 PolarHBondContact O-N 3.07Å; F198-K200 VanDerWaalsContact C-N 3.32Å; F198-K200 PolarHBondContact O-N 2.99Å; K200-I235 HydrophobicContact CD-CB 4.45Å; K200-I235 HydrophobicContact CD-CD1 4.16Å; K200-I235 HydrophobicContact CD-CG2 3.96Å; K200-H395 PolarHBondContact O-CE1 3.44Å; K200-H395 VanDerWaalsContact O-CE1 3.29Å; K200-H395 PolarHBondContact O-ND1 3.46Å
201C85.8Confident79.9Confident2 Ų246.6 Ų46.61%0.01425%0.246CC..Hα-helixtrans-83.2-27.5-179.8-74.20000113.7Y197 F198 F392 I393Y197-C201 WeakPolarHBondContact CE2-SG 3.48Å; Y197-C201 VanDerWaalsContact CZ-SG 3.55Å; Y197-C201 WeakPolarHBondContact O-CB 3.32Å; Y197-C201 PolarHBondContact O-N 3.28Å; Y197-C201 PolarHBondContact O-SG 3.21Å; F198-C201 PolarHBondContact O-N 3.47Å; C201-F392 HydrophobicContact CB-CD2 4.02Å; C201-F392 HydrophobicContact CB-CE2 3.7Å; C201-I393 PolarHBondContact O-N 3.02Å
202M76.9Confident79.3Confident19 Ų1949.3 Ų49.39%0.09426%0.258CS..BIsolated β-bridgetrans-104.8115.2-171.5-56.9-69.7-88.500111.2F198 G207 V210 F211F198-M202 HydrophobicContact CD1-CG 4.49Å; F198-M202 HydrophobicContact CD2-CG 3.92Å; F198-M202 HydrophobicContact CE1-CG 4.28Å; F198-M202 HydrophobicContact CE2-CE 3.84Å; F198-M202 HydrophobicContact CE2-CG 3.66Å; F198-M202 HydrophobicContact CE2-SD 4.34Å; F198-M202 HydrophobicContact CG-CG 4.32Å; F198-M202 HydrophobicContact CZ-CB 4.45Å; F198-M202 HydrophobicContact CZ-CE 4.03Å; F198-M202 HydrophobicContact CZ-CG 3.87Å; F198-M202 VanDerWaalsContact O-CB 3.26Å; F198-M202 WeakPolarHBondContact O-CB 3.32Å; F198-M202 WeakPolarHBondContact O-CG 3.35Å; F198-M202 PolarHBondContact O-N 3.38Å; M202-G207 VanDerWaalsContact CE-CA 3.44Å; M202-G207 WeakPolarHBondContact CE-O 3.3Å; M202-V210 HydrophobicContact CE-CB 3.95Å; M202-V210 HydrophobicContact CE-CG1 4.3Å; M202-V210 HydrophobicContact SD-CB 3.43Å; M202-V210 WeakPolarHBondContact SD-CB 3.36Å; M202-V210 HydrophobicContact SD-CG1 3.16Å; M202-V210 WeakPolarHBondContact SD-CG1 3.48Å; M202-V210 HydrophobicContact SD-CG2 4.11Å; M202-F211 HydrophobicContact CE-CD2 4.19Å; M202-F211 HydrophobicContact CE-CE2 3.88Å; M202-F211 HydrophobicContact CE-CZ 4.16Å
203T64.6Low78.9Confident70 Ų7045.3 Ų45.343%0.42924%0.24SC..  trans-78.3127.1157.657.40000107.2K205 T391 I393T203-K205 PolarHBondContact O-N 3.26Å; T203-T391 PolarHBondContact OG1-O 2.98Å; T203-I393 HydrophobicContact CG2-CD1 3.63Å; T203-I393 HydrophobicContact CG2-CG1 4.17Å
204C50.6Low78.6Confident92 Ų9244.8 Ų44.862%0.62224%0.237SC*.SBendtrans-63.823.6-161.9-63.70000117.9
205K53.1Low78.3Confident174 Ų17445.7 Ų45.776%0.75724%0.242SC*.SBendtrans-120.2109.2-179.8-64.2-175.7178.8-178.80109.2T203T203-K205 PolarHBondContact O-N 3.26Å
206T56.4Low78.1Confident120 Ų12050.2 Ų50.274%0.73627%0.266SS*.  trans57.186175.556.40000115.8
207G57.6Low78Confident12 Ų1249.2 Ų49.212%0.12426%0.259CS..  trans-86.1-1.5-170.700000117.9M202 V210 F211M202-G207 VanDerWaalsContact CE-CA 3.44Å; M202-G207 WeakPolarHBondContact CE-O 3.3Å; G207-V210 PolarHBondContact O-N 3.27Å; G207-F211 WeakPolarHBondContact O-CD2 3.21Å; G207-F211 PolarHBondContact O-N 3.12Å; G207-F211 VanDerWaalsContact O-N 3.1Å
208I68Low78Confident60 Ų6049.5 Ų49.531%0.30826%0.26SS..Hα-helixtrans-63.9-50.5-172.2-61.8176.9000111.2V210 F211 E212 F425I208-V210 PolarHBondContact O-N 2.97Å; I208-F211 WeakPolarHBondContact O-CB 3.44Å; I208-F211 PolarHBondContact O-N 2.74Å; I208-E212 WeakPolarHBondContact O-CG 3.28Å; I208-E212 PolarHBondContact O-N 3.31Å; I208-E212 VanDerWaalsContact O-N 3.16Å; I208-F425 HydrophobicContact CG1-CB 4.49Å
209D73.9Confident78.1Confident103 Ų10353.7 Ų53.755%0.55129%0.286SS*.Hα-helixtrans-61.9-30.7-178.2-60.2-17000112.8E212 L213D209-E212 PolarHBondContact O-N 3.11Å; D209-L213 PolarHBondContact O-N 3.22Å
210V79.4Confident78.3Confident6 Ų652.3 Ų52.34%0.03628%0.28CS..Hα-helixtrans-74.6-36.8177.5-172.30000111.1M202 G207 I208 E212 L213 V214 T391 F392M202-V210 HydrophobicContact CE-CB 3.95Å; M202-V210 HydrophobicContact CE-CG1 4.3Å; M202-V210 HydrophobicContact SD-CB 3.43Å; M202-V210 WeakPolarHBondContact SD-CB 3.36Å; M202-V210 HydrophobicContact SD-CG1 3.16Å; M202-V210 WeakPolarHBondContact SD-CG1 3.48Å; M202-V210 HydrophobicContact SD-CG2 4.11Å; G207-V210 PolarHBondContact O-N 3.27Å; I208-V210 PolarHBondContact O-N 2.97Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 3.49Å; V210-L213 PolarHBondContact O-N 3.39Å; V210-V214 HydrophobicContact CG1-CG2 4.24Å; V210-V214 WeakPolarHBondContact O-CG2 3.44Å; V210-V214 PolarHBondContact O-N 3.38Å; V210-T391 WeakPolarHBondContact CG2-OG1 3.5Å; V210-F392 HydrophobicContact CG1-CB 3.93Å; V210-F392 HydrophobicContact CG1-CD2 3.52Å; V210-F392 HydrophobicContact CG1-CE2 4.46Å; V210-F392 HydrophobicContact CG1-CG 4.14Å; V210-F392 HydrophobicContact CG2-CB 4.4Å
211F82.1Confident78.5Confident2 Ų247.9 Ų47.91%0.00926%0.261CS..Hα-helixtrans-61-38.8171.4-75.9-67.7000111.8F198 M202 G207 I208 D215 F418 L421 R422 F425F198-F211 HydrophobicContact CD2-CE1 4.23Å; F198-F211 HydrophobicContact CD2-CZ 4.37Å; F198-F211 AromaticContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE2 4.31Å; F198-F211 AromaticContact CE2-CZ 3.33Å; F198-F211 HydrophobicContact CE2-CZ 3.33Å; F198-F211 AromaticContact CZ-CZ 3.91Å; F198-F211 HydrophobicContact CZ-CZ 3.91Å; M202-F211 HydrophobicContact CE-CD2 4.19Å; M202-F211 HydrophobicContact CE-CE2 3.88Å; M202-F211 HydrophobicContact CE-CZ 4.16Å; G207-F211 WeakPolarHBondContact O-CD2 3.21Å; G207-F211 PolarHBondContact O-N 3.12Å; G207-F211 VanDerWaalsContact O-N 3.1Å; I208-F211 WeakPolarHBondContact O-CB 3.44Å; I208-F211 PolarHBondContact O-N 2.74Å; F211-D215 WeakPolarHBondContact O-CB 3.41Å; F211-D215 PolarHBondContact O-N 3.1Å; F211-F418 HydrophobicContact CD1-CD1 4.06Å; F211-F418 HydrophobicContact CE1-CD1 4.26Å; F211-L421 HydrophobicContact CD1-CB 4.33Å; F211-L421 HydrophobicContact CE1-CB 3.5Å; F211-L421 HydrophobicContact CE1-CD1 4.3Å; F211-L421 HydrophobicContact CZ-CB 3.92Å; F211-R422 HydrophobicContact CB-CB 3.91Å; F211-R422 HydrophobicContact CB-CG 3.88Å; F211-R422 HydrophobicContact CD1-CB 4.38Å; F211-R422 HydrophobicContact CG-CB 4.16Å; F211-F425 HydrophobicContact CD2-CD2 4.4Å; F211-F425 HydrophobicContact CD2-CG 4.41Å; F211-F425 HydrophobicContact CE2-CB 4.28Å; F211-F425 HydrophobicContact CE2-CD1 4.04Å; F211-F425 AromaticContact CE2-CD2 3.4Å; F211-F425 HydrophobicContact CE2-CD2 3.4Å; F211-F425 HydrophobicContact CE2-CE1 4.16Å; F211-F425 AromaticContact CE2-CE2 3.51Å; F211-F425 HydrophobicContact CE2-CE2 3.51Å; F211-F425 AromaticContact CE2-CG 3.64Å; F211-F425 HydrophobicContact CE2-CG 3.64Å; F211-F425 AromaticContact CE2-CZ 3.88Å; F211-F425 HydrophobicContact CE2-CZ 3.88Å; F211-F425 AromaticContact CZ-CD2 3.62Å; F211-F425 HydrophobicContact CZ-CD2 3.62Å; F211-F425 AromaticContact CZ-CE2 3.41Å; F211-F425 HydrophobicContact CZ-CE2 3.41Å; F211-F425 VanDerWaalsContact CZ-CE2 3.41Å; F211-F425 HydrophobicContact CZ-CG 4.33Å; F211-F425 HydrophobicContact CZ-CZ 4Å
212E83.7Confident78.9Confident56 Ų5648.2 Ų48.226%0.26226%0.263SS..Hα-helixtrans-66.7-45.5177.1-51-156.9145.700111.2I208 D209 V210 V214 D215 D216 R422I208-E212 WeakPolarHBondContact O-CG 3.28Å; I208-E212 PolarHBondContact O-N 3.31Å; I208-E212 VanDerWaalsContact O-N 3.16Å; D209-E212 PolarHBondContact O-N 3.11Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 3.49Å; E212-V214 PolarHBondContact O-N 3.11Å; E212-D215 PolarHBondContact O-N 3.28Å; E212-D216 WeakPolarHBondContact O-CB 3.36Å; E212-D216 PolarHBondContact O-N 3.23Å; E212-R422 VanDerWaalsContact CD-NH2 3.3Å; E212-R422 IonicContact OE1-CZ 3.49Å; E212-R422 IonicContact OE1-NE 3.25Å; E212-R422 IonicContact OE1-NH2 2.62Å; E212-R422 PolarHBondContact OE1-NH2 3.12Å
213L86.8Confident79.8Confident6 Ų647.3 Ų47.33%0.03126%0.259CS..Hα-helixtrans-59.2-47.2176.3-174.4153.1000111.8D209 V210 D215 Y217 L221 L341 R344 F392D209-L213 PolarHBondContact O-N 3.22Å; V210-L213 PolarHBondContact O-N 3.39Å; L213-D215 VanDerWaalsContact C-N 3.34Å; L213-D215 PolarHBondContact O-N 3.21Å; L213-Y217 HydrophobicContact CG-CD2 4.28Å; L213-Y217 VanDerWaalsContact O-CD2 3.3Å; L213-Y217 WeakPolarHBondContact O-CD2 3.38Å; L213-Y217 PolarHBondContact O-N 3.31Å; L213-Y217 VanDerWaalsContact O-N 3.08Å; L213-L221 HydrophobicContact CD2-CD1 4.45Å; L213-L341 HydrophobicContact CD2-CD1 3.99Å; L213-R344 HydrophobicContact CD1-CG 3.83Å; L213-F392 HydrophobicContact CD1-CB 4.49Å; L213-F392 HydrophobicContact CD1-CD1 4.5Å; L213-F392 HydrophobicContact CD2-CD1 3.7Å; L213-F392 HydrophobicContact CD2-CD2 4.32Å; L213-F392 HydrophobicContact CD2-CE1 3.82Å; L213-F392 HydrophobicContact CD2-CE2 4.41Å; L213-F392 HydrophobicContact CD2-CG 3.95Å; L213-F392 HydrophobicContact CD2-CZ 4.17Å
214V88.5Confident81.2Confident2 Ų245.3 Ų45.31%0.01225%0.252CS..Hα-helixtrans-68.7-35-179.7177.30000111.6Y197 V210 E212 F218 L221 F392 F418Y197-V214 HydrophobicContact CE1-CG1 4.47Å; V210-V214 HydrophobicContact CG1-CG2 4.24Å; V210-V214 WeakPolarHBondContact O-CG2 3.44Å; V210-V214 PolarHBondContact O-N 3.38Å; E212-V214 PolarHBondContact O-N 3.11Å; V214-F218 HydrophobicContact CG1-CD2 4.31Å; V214-F218 WeakPolarHBondContact O-CA 3.35Å; V214-F218 VanDerWaalsContact O-CB 3.23Å; V214-F218 WeakPolarHBondContact O-CB 3.2Å; V214-F218 PolarHBondContact O-N 2.93Å; V214-L221 HydrophobicContact CB-CD1 4.39Å; V214-L221 HydrophobicContact CG1-CD1 4.28Å; V214-L221 HydrophobicContact CG2-CD1 4.17Å; V214-F392 HydrophobicContact CG2-CD2 4.07Å; V214-F392 HydrophobicContact CG2-CE2 3.59Å; V214-F392 HydrophobicContact CG2-CZ 4.31Å; V214-F418 HydrophobicContact CB-CD1 4.44Å; V214-F418 HydrophobicContact CB-CE1 4.38Å; V214-F418 HydrophobicContact CG1-CD1 3.88Å; V214-F418 HydrophobicContact CG1-CD2 3.87Å; V214-F418 HydrophobicContact CG1-CE1 3.73Å; V214-F418 HydrophobicContact CG1-CE2 3.71Å; V214-F418 HydrophobicContact CG1-CG 3.95Å; V214-F418 HydrophobicContact CG1-CZ 3.64Å
215D88.6Confident83.4Confident19 Ų1941.3 Ų41.310%0.10223%0.225CC..Hα-helixtrans-67-44.2177-17325.5000111.9F211 E212 L213 H415 K419 R422F211-D215 WeakPolarHBondContact O-CB 3.41Å; F211-D215 PolarHBondContact O-N 3.1Å; E212-D215 PolarHBondContact O-N 3.28Å; L213-D215 VanDerWaalsContact C-N 3.34Å; L213-D215 PolarHBondContact O-N 3.21Å; D215-H415 PolarHBondContact O-NE2 3.3Å; D215-H415 IonicContact OD1-CD2 2.83Å; D215-H415 IonicContact OD1-CE1 2.59Å; D215-H415 IonicContact OD1-NE2 2.96Å; D215-H415 PolarHBondContact OD1-NE2 3.42Å; D215-K419 WeakPolarHBondContact OD1-CE 3.3Å; D215-K419 WeakPolarHBondContact OD1-CG 3.41Å; D215-K419 IonicContact OD1-NZ 2.89Å; D215-R422 IonicContact OD2-NH1 3.94Å; D215-R422 PolarHBondContact OD2-NH1 3.28Å
216D89.3Confident85.3Confident95 Ų9536 Ų3651%0.50821%0.206SC..Hα-helixtrans-69.4-35.3-178.8-68.8-16.6000112.4E212E212-D216 WeakPolarHBondContact O-CB 3.36Å; E212-D216 PolarHBondContact O-N 3.23Å
217Y91.8Very high87.1Confident30 Ų3032 Ų3212%0.11819%0.189CC..THydrogen-bonded Turntrans-115.925-175-58.8-78.2000113.5L213 V219 E220 L221 E337 S340 L341L213-Y217 HydrophobicContact CG-CD2 4.28Å; L213-Y217 VanDerWaalsContact O-CD2 3.3Å; L213-Y217 WeakPolarHBondContact O-CD2 3.38Å; L213-Y217 PolarHBondContact O-N 3.31Å; L213-Y217 VanDerWaalsContact O-N 3.08Å; Y217-V219 PolarHBondContact O-N 3.34Å; Y217-E220 VanDerWaalsContact C-OE2 3.29Å; Y217-E220 VanDerWaalsContact CA-OE2 3.22Å; Y217-E220 WeakPolarHBondContact CA-OE2 3.27Å; Y217-E220 PolarHBondContact O-N 3.46Å; Y217-L221 WeakPolarHBondContact O-CB 3.4Å; Y217-L221 VanDerWaalsContact O-CG 3.26Å; Y217-L221 WeakPolarHBondContact O-CG 3.36Å; Y217-L221 PolarHBondContact O-N 3.02Å; Y217-E337 HydrophobicContact CD1-CB 4.36Å; Y217-E337 HydrophobicContact CE1-CB 4.39Å; Y217-E337 WeakPolarHBondContact CE1-O 3.28Å; Y217-S340 WeakPolarHBondContact OH-CB 3.35Å; Y217-S340 PolarHBondContact OH-OG 3.44Å; Y217-L341 HydrophobicContact CD1-CB 3.76Å; Y217-L341 HydrophobicContact CD1-CD1 4.47Å; Y217-L341 HydrophobicContact CD2-CD1 3.99Å; Y217-L341 HydrophobicContact CE1-CB 4.12Å; Y217-L341 HydrophobicContact CG-CB 4.01Å; Y217-L341 HydrophobicContact CG-CD1 3.85Å; Y217-L341 HydrophobicContact CG-CG 4.36Å
218F92.4Very high88.8Confident8 Ų833.7 Ų33.74%0.03520%0.195CC..THydrogen-bonded Turntrans-59.8-35.5-176.4-174.9-100.4000112.2V214 E220 L221 N222 E411 L414 H415 F418V214-F218 HydrophobicContact CG1-CD2 4.31Å; V214-F218 WeakPolarHBondContact O-CA 3.35Å; V214-F218 VanDerWaalsContact O-CB 3.23Å; V214-F218 WeakPolarHBondContact O-CB 3.2Å; V214-F218 PolarHBondContact O-N 2.93Å; F218-E220 VanDerWaalsContact C-N 3.34Å; F218-E220 PolarHBondContact O-N 3.12Å; F218-L221 PolarHBondContact O-N 3.04Å; F218-N222 HydrophobicContact CE1-CB 4.24Å; F218-N222 HydrophobicContact CZ-CB 4.31Å; F218-N222 WeakPolarHBondContact O-CB 3.47Å; F218-N222 PolarHBondContact O-N 2.86Å; F218-E411 WeakPolarHBondContact CE1-O 3.31Å; F218-L414 HydrophobicContact CE1-CB 4.41Å; F218-L414 HydrophobicContact CE2-CB 4.04Å; F218-L414 HydrophobicContact CZ-CB 3.49Å; F218-L414 VanDerWaalsContact CZ-CB 3.49Å; F218-L414 HydrophobicContact CZ-CD2 4.44Å; F218-H415 HydrophobicContact CD1-CB 3.57Å; F218-H415 AromaticContact CD1-CG 3.81Å; F218-H415 HydrophobicContact CE1-CB 3.77Å; F218-H415 HydrophobicContact CG-CB 4Å; F218-H415 AromaticContact CG-CD2 3.7Å; F218-H415 AromaticContact CG-CG 3.94Å; F218-H415 HydrophobicContact CZ-CB 4.36Å; F218-F418 HydrophobicContact CD2-CD2 4.01Å; F218-F418 HydrophobicContact CD2-CE2 4.26Å; F218-F418 AromaticContact CE2-CD2 3.9Å; F218-F418 HydrophobicContact CE2-CD2 3.9Å; F218-F418 AromaticContact CE2-CE2 3.94Å; F218-F418 HydrophobicContact CE2-CE2 3.94Å
219V91.5Very high90.1Very high96 Ų9634 Ų3458%0.58220%0.201SC*.THydrogen-bonded Turntrans-63.7-41.8-179.2177.80000110.8Y217 N222Y217-V219 PolarHBondContact O-N 3.34Å; V219-N222 PolarHBondContact O-N 3.35Å; V219-N222 VanDerWaalsContact O-O 3.05Å
220E93.3Very high91.1Very high33 Ų3329.8 Ų29.815%0.15418%0.179CC..THydrogen-bonded Turntrans-77.2-25.1179.4-62.368.8-148.800112.1Y217 F218 N222 E337 E338 L341Y217-E220 VanDerWaalsContact C-OE2 3.29Å; Y217-E220 VanDerWaalsContact CA-OE2 3.22Å; Y217-E220 WeakPolarHBondContact CA-OE2 3.27Å; Y217-E220 PolarHBondContact O-N 3.46Å; F218-E220 VanDerWaalsContact C-N 3.34Å; F218-E220 PolarHBondContact O-N 3.12Å; E220-N222 VanDerWaalsContact C-N 3.29Å; E220-E337 HydrophobicContact CG-CB 4.1Å; E220-E337 VanDerWaalsContact OE1-CB 3.27Å; E220-E337 WeakPolarHBondContact OE1-CB 3.42Å; E220-E338 HydrophobicContact CG-CG 3.87Å; E220-L341 HydrophobicContact CB-CD2 3.81Å
221L93.8Very high91.8Very high1 Ų133.2 Ų33.21%0.00520%0.203CC..THydrogen-bonded Turntrans-85.40.3176.8-67.1172.5000113.4L213 V214 Y217 F218 L239 L341 F392 C396 V397L213-L221 HydrophobicContact CD2-CD1 4.45Å; V214-L221 HydrophobicContact CB-CD1 4.39Å; V214-L221 HydrophobicContact CG1-CD1 4.28Å; V214-L221 HydrophobicContact CG2-CD1 4.17Å; Y217-L221 WeakPolarHBondContact O-CB 3.4Å; Y217-L221 VanDerWaalsContact O-CG 3.26Å; Y217-L221 WeakPolarHBondContact O-CG 3.36Å; Y217-L221 PolarHBondContact O-N 3.02Å; F218-L221 PolarHBondContact O-N 3.04Å; L221-L239 HydrophobicContact CD2-CD2 3.54Å; L221-L341 HydrophobicContact CD2-CD2 3.93Å; L221-L341 HydrophobicContact CG-CD2 4.17Å; L221-F392 HydrophobicContact CD1-CZ 3.89Å; L221-F392 HydrophobicContact CD2-CE1 4.17Å; L221-F392 HydrophobicContact CD2-CZ 3.88Å; L221-C396 VanDerWaalsContact O-CA 3.3Å; L221-C396 WeakPolarHBondContact O-CA 3.24Å; L221-C396 PolarHBondContact O-SG 3.2Å; L221-V397 PolarHBondContact O-N 3.44Å
222N94.8Very high92.5Very high8 Ų836.2 Ų36.24%0.04322%0.22CC..EExtended strand (participates in β ladder)trans-128.7144.5-178.1166.278.2000112.3F218 V219 E220 Q242 V397 L399 E411F218-N222 HydrophobicContact CE1-CB 4.24Å; F218-N222 HydrophobicContact CZ-CB 4.31Å; F218-N222 WeakPolarHBondContact O-CB 3.47Å; F218-N222 PolarHBondContact O-N 2.86Å; V219-N222 PolarHBondContact O-N 3.35Å; V219-N222 VanDerWaalsContact O-O 3.05Å; E220-N222 VanDerWaalsContact C-N 3.29Å; N222-Q242 PolarHBondContact O-NE2 2.75Å; N222-V397 CarbonylContact C-O 3.58Å; N222-V397 WeakPolarHBondContact CA-O 3.15Å; N222-V397 PolarHBondContact OD1-O 2.8Å; N222-L399 VanDerWaalsContact OD1-CD1 3.29Å; N222-L399 WeakPolarHBondContact OD1-CD1 3.49Å; N222-L399 WeakPolarHBondContact OD1-CG 3.3Å; N222-E411 VanDerWaalsContact ND2-CG 3.31Å; N222-E411 WeakPolarHBondContact ND2-CG 3.33Å; N222-E411 PolarHBondContact ND2-OE1 3.44Å
223V95.4Very high93.1Very high1 Ų133.9 Ų33.91%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-132.7119.4174.11780000111V225 V240 Q242 L376 Y381 V397 V398 L399V223-V225 HydrophobicContact CG1-CG2 4.27Å; V223-V240 HydrophobicContact CG2-CB 4.14Å; V223-V240 HydrophobicContact CG2-CG1 3.99Å; V223-Q242 HydrophobicContact CG2-CG 4.41Å; V223-L376 HydrophobicContact CG1-CD1 4.05Å; V223-Y381 HydrophobicContact CG1-CD1 4.48Å; V223-Y381 HydrophobicContact CG1-CE1 3.72Å; V223-V397 PolarHBondContact N-O 2.82Å; V223-V398 CarbonylContact O-C 3.56Å; V223-V398 WeakPolarHBondContact O-CA 3.49Å; V223-L399 PolarHBondContact O-N 3.14Å
224G95.3Very high93.6Very high28 Ų2838.9 Ų38.929%0.28923%0.228SC..EExtended strand (participates in β ladder)trans-84.3125.2172.900000113.9L399 E411G224-L399 CarbonylContact C-O 3.3Å; G224-L399 WeakPolarHBondContact CA-O 3.46Å; G224-E411 WeakPolarHBondContact CA-OE1 3.22Å; G224-E411 PolarHBondContact N-OE1 3.43Å
225V95.4Very high94Very high8 Ų840 Ų405%0.04823%0.233CC..EExtended strand (participates in β ladder)trans-118.6107.2178.4-175.20000111.4V223 L228 L376 R377 V398 L399 C400 G401 I407V223-V225 HydrophobicContact CG1-CG2 4.27Å; V225-L228 HydrophobicContact CG1-CD1 3.74Å; V225-L228 HydrophobicContact CG1-CG 4.32Å; V225-L376 HydrophobicContact CG2-CB 3.99Å; V225-L376 HydrophobicContact CG2-CD1 4.04Å; V225-R377 HydrophobicContact CG1-CB 4.19Å; V225-V398 HydrophobicContact CB-CG1 4.5Å; V225-V398 HydrophobicContact CG2-CG1 3.63Å; V225-L399 PolarHBondContact N-O 3.42Å; V225-C400 WeakPolarHBondContact O-CA 3.27Å; V225-G401 PolarHBondContact O-N 2.9Å; V225-G401 VanDerWaalsContact O-N 3.11Å; V225-I407 VanDerWaalsContact O-CD1 3.24Å; V225-I407 WeakPolarHBondContact O-CD1 3.43Å
226T94Very high94.3Very high61 Ų6139.9 Ų39.937%0.37423%0.233SC..EExtended strand (participates in β ladder)trans-75.7150.4178.560.40000113.3R377 G401 R404 I407T226-R377 VanDerWaalsContact O-CD 3.29Å; T226-R377 WeakPolarHBondContact O-CD 3.48Å; T226-R377 PolarHBondContact O-NH1 3.01Å; T226-G401 CarbonylContact C-O 3.39Å; T226-G401 VanDerWaalsContact CA-O 3.31Å; T226-G401 WeakPolarHBondContact CA-O 3.38Å; T226-R404 HydrophobicContact CG2-CB 3.93Å; T226-I407 HydrophobicContact CG2-CD1 3.65Å
227G93.1Very high94.5Very high36 Ų3637.9 Ų37.937%0.37123%0.229SC..THydrogen-bonded Turntrans81.510.7173.300000115.6G401G227-G401 PolarHBondContact N-O 3.38Å
228L93.9Very high94.5Very high48 Ų4836.7 Ų36.725%0.25123%0.226SC..SBendtrans-111.5153.1171.4-66.7179.1000109.8V225 D232 C400 G401V225-L228 HydrophobicContact CG1-CD1 3.74Å; V225-L228 HydrophobicContact CG1-CG 4.32Å; L228-D232 HydrophobicContact CB-CB 4.34Å; L228-C400 HydrophobicContact CB-CB 3.9Å; L228-G401 CarbonylContact O-C 3.55Å; L228-G401 WeakPolarHBondContact O-CA 3.47Å; L228-G401 PolarHBondContact O-N 2.89Å
229P94.9Very high94.6Very high68 Ų6836.5 Ų36.544%0.44223%0.225SC..  trans-64.5154.717329.3-35.5000111S231 D232 C400P229-S231 PolarHBondContact O-N 2.62Å; P229-D232 WeakPolarHBondContact CD-OD2 3.35Å; P229-D232 HydrophobicContact CG-CB 4.43Å; P229-D232 WeakPolarHBondContact CG-OD1 3.38Å; P229-D232 WeakPolarHBondContact O-CB 3.27Å; P229-D232 PolarHBondContact O-N 3.21Å; P229-D232 VanDerWaalsContact O-N 3.07Å; P229-C400 VanDerWaalsContact O-CB 3.24Å; P229-C400 WeakPolarHBondContact O-CB 3.42Å
230V94.9Very high94.8Very high13 Ų1332 Ų328%0.07920%0.198CC..G310 helixtrans-61.6-30.5-178.4178.60000112N186 F189 I190 D232 S233 C400 L406N186-V230 HydrophobicContact CB-CG1 4.26Å; F189-V230 HydrophobicContact CD1-CG1 4.2Å; F189-V230 HydrophobicContact CE1-CG1 4.26Å; F189-V230 WeakPolarHBondContact CE1-O 3.47Å; I190-V230 HydrophobicContact CD1-CG1 4.03Å; V230-D232 PolarHBondContact O-N 3.24Å; V230-D232 VanDerWaalsContact O-N 3.15Å; V230-S233 VanDerWaalsContact O-CB 3.29Å; V230-S233 WeakPolarHBondContact O-CB 3.12Å; V230-S233 PolarHBondContact O-N 3.32Å; V230-S233 VanDerWaalsContact O-N 3.09Å; V230-S233 PolarHBondContact O-OG 3.21Å; V230-C400 WeakPolarHBondContact CA-O 3.36Å; V230-L406 HydrophobicContact CG2-CD2 3.73Å
231S94.9Very high94.8Very high79 Ų7930.8 Ų30.855%0.55219%0.193SC*.G310 helixtrans-59.5-20.9175.752.70000114.5P229 S233P229-S231 PolarHBondContact O-N 2.62Å; S231-S233 PolarHBondContact O-N 3.25Å
232D96Very high94.7Very high65 Ų6535.6 Ų35.635%0.34822%0.215SC..G310 helixtrans-81.5-4.2179.4-69.77.5000112.7L228 P229 V230 C400L228-D232 HydrophobicContact CB-CB 4.34Å; P229-D232 WeakPolarHBondContact CD-OD2 3.35Å; P229-D232 HydrophobicContact CG-CB 4.43Å; P229-D232 WeakPolarHBondContact CG-OD1 3.38Å; P229-D232 WeakPolarHBondContact O-CB 3.27Å; P229-D232 PolarHBondContact O-N 3.21Å; P229-D232 VanDerWaalsContact O-N 3.07Å; V230-D232 PolarHBondContact O-N 3.24Å; V230-D232 VanDerWaalsContact O-N 3.15Å; D232-C400 HydrophobicContact CB-CB 4.06Å
233S97.4Very high94.6Very high7 Ų738.6 Ų38.65%0.04923%0.228CC..  trans-62.2138174.9-510000110V230 S231 V398 C400V230-S233 VanDerWaalsContact O-CB 3.29Å; V230-S233 WeakPolarHBondContact O-CB 3.12Å; V230-S233 PolarHBondContact O-N 3.32Å; V230-S233 VanDerWaalsContact O-N 3.09Å; V230-S233 PolarHBondContact O-OG 3.21Å; S231-S233 PolarHBondContact O-N 3.25Å; S233-V398 CarbonylContact C-O 3.52Å; S233-V398 WeakPolarHBondContact CA-O 3.37Å; S233-V398 VanDerWaalsContact CB-O 3.27Å; S233-V398 WeakPolarHBondContact CB-O 3.38Å; S233-C400 PolarHBondContact OG-N 3.44Å
234R96.5Very high94.6Very high111 Ų11141.8 Ų41.842%0.41925%0.245SC..EExtended strand (participates in β ladder)trans-154.7163.1-17463.4178.8-179.8-96.55.2112.2I236 L376 V398R234-I236 HydrophobicContact CG-CG1 4.42Å; R234-L376 VanDerWaalsContact NH2-CD2 3.29Å; R234-V398 HydrophobicContact CG-CB 4.41Å; R234-V398 PolarHBondContact N-O 3.4Å; R234-V398 PolarHBondContact O-N 2.91Å
235I96.8Very high94.6Very high24 Ų2441.4 Ų41.412%0.12324%0.235CC..EExtended strand (participates in β ladder)trans-99128.2174.3-58.4153.2000108.6L193 D196 Y197 K200 H395L193-I235 HydrophobicContact CD1-CD1 4.06Å; L193-I235 HydrophobicContact CD1-CG1 3.82Å; D196-I235 HydrophobicContact CB-CD1 3.58Å; Y197-I235 HydrophobicContact CD2-CG1 4.27Å; Y197-I235 HydrophobicContact CD2-CG2 4Å; Y197-I235 VanDerWaalsContact N-CD1 3.28Å; K200-I235 HydrophobicContact CD-CB 4.45Å; K200-I235 HydrophobicContact CD-CD1 4.16Å; K200-I235 HydrophobicContact CD-CG2 3.96Å; I235-H395 HydrophobicContact CG2-CB 3.81Å
236I95.5Very high94.6Very high18 Ų1843.5 Ų43.59%0.09225%0.25CS..EExtended strand (participates in β ladder)trans-107130.8175.4-60.8-176.4000108.1R234 V240 L374 L376 H383 H395 C396 V398R234-I236 HydrophobicContact CG-CG1 4.42Å; I236-V240 HydrophobicContact CB-CG2 4.47Å; I236-V240 HydrophobicContact CD1-CG2 4.45Å; I236-V240 HydrophobicContact CG2-CG2 4.25Å; I236-L374 HydrophobicContact CD1-CD2 3.85Å; I236-L376 HydrophobicContact CD1-CD2 4.48Å; I236-H383 VanDerWaalsContact CG2-NE2 3.31Å; I236-H383 WeakPolarHBondContact CG2-NE2 3.34Å; I236-H395 CarbonylContact O-C 3.5Å; I236-H395 WeakPolarHBondContact O-CA 3.23Å; I236-C396 PolarHBondContact N-O 3.45Å; I236-C396 PolarHBondContact O-N 2.8Å; I236-V398 HydrophobicContact CD1-CG2 3.53Å; I236-V398 HydrophobicContact CG1-CG2 3.98Å
237A93.3Very high94.6Very high53 Ų5342.1 Ų42.144%0.43824%0.242SC..EExtended strand (participates in β ladder)trans-72133.5174.400000110.6H383 H395A237-H383 PolarHBondContact O-NE2 2.7Å; A237-H395 VanDerWaalsContact CA-CD2 3.44Å; A237-H395 WeakPolarHBondContact CA-CD2 3.22Å
238G92.4Very high94.7Very high5 Ų544.9 Ų44.95%0.05224%0.242CC..SBendtrans93.6-176.7-170.600000113.5L384 P394 H395 C396G238-L384 CarbonylContact C-O 3.59Å; G238-L384 VanDerWaalsContact CA-O 3.28Å; G238-L384 WeakPolarHBondContact CA-O 2.95Å; G238-P394 WeakPolarHBondContact CA-O 3.34Å; G238-P394 PolarHBondContact N-O 3.5Å; G238-H395 CarbonylContact O-C 3.56Å; G238-H395 WeakPolarHBondContact O-CA 3.22Å; G238-C396 PolarHBondContact O-N 3.06Å
239L93.7Very high94.6Very high3 Ų343.6 Ų43.62%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-94.3146.3176.2-64.2177.9000110.8L221 L341 I342 I345 L384 L386 P394L221-L239 HydrophobicContact CD2-CD2 3.54Å; L239-L341 HydrophobicContact CD1-CD2 4.39Å; L239-L341 HydrophobicContact CD2-CD2 3.96Å; L239-I342 HydrophobicContact CD1-CG1 3.89Å; L239-I345 HydrophobicContact CD1-CD1 3.86Å; L239-I345 HydrophobicContact CD2-CD1 4.19Å; L239-I345 HydrophobicContact CG-CD1 4.35Å; L239-L384 HydrophobicContact CB-CB 4.43Å; L239-L384 PolarHBondContact N-O 3.47Å; L239-L384 PolarHBondContact O-N 3.05Å; L239-L386 HydrophobicContact CD1-CD1 3.47Å; L239-L386 VanDerWaalsContact CD1-CD1 3.47Å; L239-L386 HydrophobicContact CD1-CG 4.38Å; L239-L386 HydrophobicContact CG-CD1 4.25Å; L239-P394 HydrophobicContact CD2-CB 4.25Å; L239-P394 HydrophobicContact CG-CB 4.27Å
240V95.3Very high94.3Very high1 Ų145.2 Ų45.21%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-118.4102.9174.3-178.90000107.9V223 I236 L374 Y381 V382 C396V223-V240 HydrophobicContact CG2-CB 4.14Å; V223-V240 HydrophobicContact CG2-CG1 3.99Å; I236-V240 HydrophobicContact CB-CG2 4.47Å; I236-V240 HydrophobicContact CD1-CG2 4.45Å; I236-V240 HydrophobicContact CG2-CG2 4.25Å; V240-L374 HydrophobicContact CG1-CD2 4Å; V240-L374 HydrophobicContact CG2-CD2 3.94Å; V240-Y381 HydrophobicContact CG1-CD1 3.82Å; V240-Y381 HydrophobicContact CG1-CG 3.89Å; V240-V382 CarbonylContact C-O 3.56Å; V240-V382 WeakPolarHBondContact CA-O 3.24Å; V240-C396 HydrophobicContact CB-CB 4.22Å; V240-C396 HydrophobicContact CG2-CB 3.86Å
241L94.4Very high93.6Very high8 Ų846 Ų464%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-79.9136.4180-52.6174.3000109.4K243 L334 I342 Y381 V382L241-K243 PolarHBondContact O-N 3.48Å; L241-L334 HydrophobicContact CD1-CD2 3.95Å; L241-I342 HydrophobicContact CD2-CD1 4.23Å; L241-Y381 WeakPolarHBondContact O-CD1 3.39Å; L241-V382 HydrophobicContact CB-CB 4.19Å; L241-V382 HydrophobicContact CD1-CB 4.35Å; L241-V382 HydrophobicContact CD1-CG1 4.32Å; L241-V382 PolarHBondContact N-O 2.91Å; L241-V382 PolarHBondContact O-N 3.32Å
242Q91.4Very high92.7Very high103 Ų10349.6 Ų49.648%0.48127%0.268SS..SBendtrans-8045.2-178.3-55.5-169.715.500112.1N222 V223 Y381N222-Q242 PolarHBondContact O-NE2 2.75Å; V223-Q242 HydrophobicContact CG2-CG 4.41Å; Q242-Y381 HydrophobicContact CB-CE1 4.33Å; Q242-Y381 HydrophobicContact CG-CD1 4.46Å; Q242-Y381 HydrophobicContact CG-CE1 4.16Å
243K92.6Very high91.9Very high70 Ų7049.5 Ų49.530%0.30428%0.282SS..  trans-136.1157.3-177.1-54.7-66.7162.8161.90109.9L241 V331 C333 L334 Y381 V382L241-K243 PolarHBondContact O-N 3.48Å; K243-V331 HydrophobicContact CB-CG1 3.98Å; K243-C333 VanDerWaalsContact CE-O 3.23Å; K243-C333 WeakPolarHBondContact CE-O 3.35Å; K243-C333 PolarHBondContact NZ-O 3.46Å; K243-L334 HydrophobicContact CG-CD2 4.03Å; K243-Y381 CarbonylContact O-C 2.9Å; K243-Y381 VanDerWaalsContact O-C 3.3Å; K243-Y381 WeakPolarHBondContact O-CA 3.26Å; K243-V382 WeakPolarHBondContact O-CG2 3.46Å; K243-V382 PolarHBondContact O-N 3.3Å
244D94.7Very high91.2Very high68 Ų6853.9 Ų53.936%0.36431%0.305SS..  trans-99.2166.3165.1-159.84.6000109.4R380D244-R380 HydrophobicContact CB-CB 4.21Å; D244-R380 WeakPolarHBondContact OD2-CD 3.46Å; D244-R380 IonicContact OD2-NH1 3.73Å
245F95.4Very high90.8Very high21 Ų2149 Ų499%0.09229%0.287CS..  trans-73.4133.3172-71.8-86.6000110.7V247 Y248 L308 V331 C371 P373 V382F245-V247 VanDerWaalsContact C-N 3.34Å; F245-Y248 HydrophobicContact CD1-CD2 4.01Å; F245-Y248 AromaticContact CD2-CD2 3.92Å; F245-Y248 HydrophobicContact CD2-CD2 3.92Å; F245-Y248 HydrophobicContact CD2-CG 4.27Å; F245-Y248 AromaticContact CE1-CD2 3.91Å; F245-Y248 HydrophobicContact CE1-CD2 3.91Å; F245-Y248 AromaticContact CE2-CD2 3.81Å; F245-Y248 HydrophobicContact CE2-CD2 3.81Å; F245-Y248 HydrophobicContact CE2-CE2 4.24Å; F245-Y248 HydrophobicContact CG-CD2 4.01Å; F245-Y248 HydrophobicContact CG-CG 4.33Å; F245-Y248 AromaticContact CZ-CD2 3.79Å; F245-Y248 HydrophobicContact CZ-CD2 3.79Å; F245-Y248 HydrophobicContact CZ-CE2 4.1Å; F245-L308 HydrophobicContact CE1-CD1 4.39Å; F245-V331 HydrophobicContact CD1-CG2 3.63Å; F245-V331 HydrophobicContact CE1-CG2 3.65Å; F245-V331 HydrophobicContact CG-CG2 4.46Å; F245-C371 VanDerWaalsContact CZ-SG 3.56Å; F245-P373 HydrophobicContact CD2-CB 4.39Å; F245-P373 HydrophobicContact CE2-CB 4.22Å; F245-V382 HydrophobicContact CD1-CG2 4.37Å; F245-V382 HydrophobicContact CD2-CG2 3.76Å; F245-V382 HydrophobicContact CE1-CG1 4.12Å; F245-V382 HydrophobicContact CE1-CG2 4.23Å; F245-V382 HydrophobicContact CE2-CB 4.16Å; F245-V382 HydrophobicContact CE2-CG1 3.95Å; F245-V382 HydrophobicContact CE2-CG2 3.6Å; F245-V382 HydrophobicContact CG-CG2 4.16Å; F245-V382 HydrophobicContact CZ-CB 4.22Å; F245-V382 HydrophobicContact CZ-CG1 3.53Å; F245-V382 HydrophobicContact CZ-CG2 3.87Å
246S95.1Very high90.5Very high52 Ų5252.3 Ų52.336%0.36430%0.298SS..SBendtrans-67.2-42.8165.3-59.80000110.2V330 E332S246-V330 PolarHBondContact N-O 3.26Å; S246-E332 WeakPolarHBondContact CB-OE1 3.37Å; S246-E332 PolarHBondContact OG-OE1 3.46Å
247V95.1Very high90.3Very high32 Ų3251.4 Ų51.419%0.19429%0.294CS..BIsolated β-bridgetrans-139.6129171.3160.60000107.9F245 I320 S329 V330F245-V247 VanDerWaalsContact C-N 3.34Å; V247-I320 HydrophobicContact CB-CG2 4.19Å; V247-I320 HydrophobicContact CG2-CG2 3.24Å; V247-S329 CarbonylContact O-C 3.55Å; V247-S329 VanDerWaalsContact O-CA 3.32Å; V247-S329 WeakPolarHBondContact O-CA 3.2Å; V247-V330 PolarHBondContact O-N 3.17Å
248Y95.1Very high90.2Very high94 Ų9448.9 Ų48.937%0.36927%0.273SS..  trans-112.9117.8175.3-180-117000110.3F245 P250 P373F245-Y248 HydrophobicContact CD1-CD2 4.01Å; F245-Y248 AromaticContact CD2-CD2 3.92Å; F245-Y248 HydrophobicContact CD2-CD2 3.92Å; F245-Y248 HydrophobicContact CD2-CG 4.27Å; F245-Y248 AromaticContact CE1-CD2 3.91Å; F245-Y248 HydrophobicContact CE1-CD2 3.91Å; F245-Y248 AromaticContact CE2-CD2 3.81Å; F245-Y248 HydrophobicContact CE2-CD2 3.81Å; F245-Y248 HydrophobicContact CE2-CE2 4.24Å; F245-Y248 HydrophobicContact CG-CD2 4.01Å; F245-Y248 HydrophobicContact CG-CG 4.33Å; F245-Y248 AromaticContact CZ-CD2 3.79Å; F245-Y248 HydrophobicContact CZ-CD2 3.79Å; F245-Y248 HydrophobicContact CZ-CE2 4.1Å; Y248-P250 HydrophobicContact CE1-CB 4.05Å; Y248-P250 HydrophobicContact CE1-CG 4.5Å; Y248-P373 HydrophobicContact CD1-CG 4.32Å; Y248-P373 HydrophobicContact CE1-CG 3.96Å; Y248-P373 WeakPolarHBondContact OH-CD 3.13Å
249C92.3Very high90.2Very high20 Ų2048.9 Ų48.914%0.13527%0.271CS..  trans-115105.6173.9-64.80000107.5A251 G327 S329C249-A251 PolarHBondContact O-N 2.92Å; C249-G327 WeakPolarHBondContact CB-O 3.17Å; C249-S329 PolarHBondContact N-OG 2.93Å; C249-S329 PolarHBondContact O-OG 3.25Å
250P87.6Confident90Very high103 Ų10348.7 Ų48.767%0.66927%0.271SS*.  trans-60.9129179.224.3-31.6000109.5Y248Y248-P250 HydrophobicContact CE1-CB 4.05Å; Y248-P250 HydrophobicContact CE1-CG 4.5Å
251A81Confident89.6Confident29 Ų2951 Ų5124%0.2429%0.285CS..  trans-128.7124.9-174.500000109.8C249 I255 K307C249-A251 PolarHBondContact O-N 2.92Å; A251-I255 HydrophobicContact CB-CD1 4.41Å; A251-I255 HydrophobicContact CB-CG1 4.24Å; A251-K307 HydrophobicContact CB-CB 4.25Å; A251-K307 HydrophobicContact CB-CD 3.6Å
252D74.4Confident89.3Confident154 Ų15455.4 Ų55.482%0.82431%0.305SS*.  trans-95.4156.4169.7-64.1-44.7000110.9K307D252-K307 PolarHBondContact O-NZ 3.08Å
253G79.6Confident89.1Confident63 Ų6352.8 Ų52.865%0.64930%0.296SS*.SBendtrans76.5-153179.300000114.1I255G253-I255 PolarHBondContact O-N 2.9Å
254D82.3Confident88.8Confident99 Ų9949.7 Ų49.753%0.52928%0.283SS..  trans-63.8118.5-178.3-70.8-16.6000111.1K307 L367D254-K307 WeakPolarHBondContact O-CE 3.34Å; D254-K307 PolarHBondContact O-NZ 3.06Å; D254-L367 HydrophobicContact CB-CD1 3.96Å
255I88.6Confident88.2Confident10 Ų1048.6 Ų48.65%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-101.5109.6174.5-60.9173.1000107.2A251 G253 K307 L308 V368 C371A251-I255 HydrophobicContact CB-CD1 4.41Å; A251-I255 HydrophobicContact CB-CG1 4.24Å; G253-I255 PolarHBondContact O-N 2.9Å; I255-K307 HydrophobicContact CG2-CB 4.21Å; I255-L308 HydrophobicContact CG2-CB 4.01Å; I255-V368 HydrophobicContact CB-CB 4.32Å; I255-V368 HydrophobicContact CG2-CB 4.21Å; I255-V368 PolarHBondContact O-N 2.72Å; I255-C371 HydrophobicContact CD1-CB 4.39Å
256R90.8Very high87.6Confident92 Ų9249 Ų4935%0.34728%0.28SS..EExtended strand (participates in β ladder)trans-88.9137166-56.3-168.5-166.7-171.55.8110.2Q304 N305 V306 K307 L308 A366R256-Q304 WeakPolarHBondContact CD-O 3.27Å; R256-N305 WeakPolarHBondContact CB-O 3.3Å; R256-V306 HydrophobicContact CB-CG2 4.47Å; R256-V306 WeakPolarHBondContact O-CA 3.4Å; R256-K307 PolarHBondContact O-N 3.41Å; R256-L308 PolarHBondContact O-N 3.18Å; R256-A366 CarbonylContact C-O 3.37Å; R256-A366 VanDerWaalsContact CA-O 3.31Å; R256-A366 WeakPolarHBondContact CA-O 3.37Å
257M91.5Very high86.9Confident0 Ų052.3 Ų52.30%029%0.293CS..EExtended strand (participates in β ladder)trans-114.7155176.385.2175.9-153.500112.6I259 L308 L310 I342 I346 L348 A366 V368 L386M257-I259 HydrophobicContact CE-CD1 3.75Å; M257-I259 HydrophobicContact CE-CG1 3.76Å; M257-L308 CarbonylContact C-O 3.59Å; M257-L308 WeakPolarHBondContact CA-O 3.3Å; M257-L308 HydrophobicContact CB-CB 3.82Å; M257-L308 HydrophobicContact CB-CD2 3.86Å; M257-L308 HydrophobicContact CB-CG 4Å; M257-L308 HydrophobicContact SD-CD2 4.38Å; M257-L310 HydrophobicContact CE-CD1 4.07Å; M257-L310 HydrophobicContact SD-CD1 3.77Å; M257-I342 HydrophobicContact CE-CG2 3.56Å; M257-I346 HydrophobicContact CE-CD1 3.16Å; M257-I346 HydrophobicContact SD-CD1 4.07Å; M257-L348 HydrophobicContact CE-CD1 4.04Å; M257-A366 PolarHBondContact N-O 3.01Å; M257-A366 PolarHBondContact O-N 2.86Å; M257-V368 HydrophobicContact CB-CG2 3.7Å; M257-V368 HydrophobicContact CG-CG2 3.63Å; M257-V368 HydrophobicContact SD-CG2 3.48Å; M257-V368 WeakPolarHBondContact SD-CG2 3.4Å; M257-L386 HydrophobicContact SD-CD2 4.32Å
258V91.5Very high86.1Confident0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-129.5140.5171.6174.80000109.1V260 L301 V306 L308 L310 F351 T365V258-V260 HydrophobicContact CG1-CG2 3.9Å; V258-L301 HydrophobicContact CG2-CD2 4.29Å; V258-V306 HydrophobicContact CB-CG1 4.33Å; V258-V306 HydrophobicContact CG2-CB 4.48Å; V258-V306 HydrophobicContact CG2-CG1 3.82Å; V258-V306 HydrophobicContact CG2-CG2 3.78Å; V258-L308 PolarHBondContact N-O 2.73Å; V258-L310 PolarHBondContact O-N 2.82Å; V258-F351 HydrophobicContact CG1-CB 3.37Å; V258-F351 HydrophobicContact CG1-CD1 4.16Å; V258-F351 HydrophobicContact CG1-CG 3.78Å; V258-T365 HydrophobicContact CG2-CG2 3.93Å
259I91Very high85.2Confident4 Ų452.3 Ų52.32%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-106.2128.6174-56.2176.5000108.5M257 L310 V339 I342 R343 F351M257-I259 HydrophobicContact CE-CD1 3.75Å; M257-I259 HydrophobicContact CE-CG1 3.76Å; I259-L310 CarbonylContact C-O 3.5Å; I259-L310 VanDerWaalsContact CA-O 3.29Å; I259-L310 WeakPolarHBondContact CA-O 3.21Å; I259-L310 HydrophobicContact CG1-CB 4.34Å; I259-L310 HydrophobicContact CG1-CD1 4.46Å; I259-V339 HydrophobicContact CG2-CG1 4.01Å; I259-I342 HydrophobicContact CD1-CB 4.45Å; I259-I342 HydrophobicContact CD1-CG2 3.7Å; I259-R343 HydrophobicContact CD1-CG 4.08Å; I259-F351 WeakPolarHBondContact O-CB 3.36Å; I259-F351 PolarHBondContact O-N 3.39Å
260V90.1Very high84.4Confident0 Ų056 Ų560%032%0.319CS..EExtended strand (participates in β ladder)trans-124.2132.4-179.9-168.50000110.4V258 E262 I264 L309 L310 S311 S312 F351 P353V258-V260 HydrophobicContact CG1-CG2 3.9Å; V260-E262 WeakPolarHBondContact CG1-O 3.45Å; V260-I264 HydrophobicContact CG1-CG1 4.07Å; V260-I264 HydrophobicContact CG2-CD1 4.24Å; V260-I264 HydrophobicContact CG2-CG1 4.45Å; V260-L309 HydrophobicContact CB-CD1 4.39Å; V260-L309 HydrophobicContact CG2-CD1 3.44Å; V260-L309 VanDerWaalsContact CG2-CD1 3.44Å; V260-L310 PolarHBondContact N-O 3.13Å; V260-S311 VanDerWaalsContact O-CA 3.3Å; V260-S311 WeakPolarHBondContact O-CA 3.49Å; V260-S311 PolarHBondContact O-OG 2.99Å; V260-S312 PolarHBondContact O-N 3.11Å; V260-F351 HydrophobicContact CG1-CD1 4.45Å; V260-F351 HydrophobicContact CG2-CB 4.29Å; V260-F351 HydrophobicContact CG2-CD1 3.84Å; V260-P353 HydrophobicContact CG1-CG 4.25Å
261T88.1Confident83.6Confident49 Ų4957.3 Ų57.330%0.30133%0.331SS..SBendtrans-97.7-12-179.349.10000114.2S312 V313 P350T261-S312 VanDerWaalsContact CA-OG 3.27Å; T261-S312 WeakPolarHBondContact CA-OG 3.21Å; T261-S312 PolarHBondContact O-OG 2.88Å; T261-V313 WeakPolarHBondContact O-CG1 3.36Å; T261-P350 HydrophobicContact CG2-CB 3.81Å; T261-P350 HydrophobicContact CG2-CG 4.07Å
262E86.4Confident83.2Confident101 Ų10160.4 Ų60.447%0.47237%0.366SS..SBendtrans-125.5172.7-178.1-62.8-177.9172.900111.5V260 V313 Q315V260-E262 WeakPolarHBondContact CG1-O 3.45Å; E262-V313 VanDerWaalsContact C-CG2 3.45Å; E262-Q315 PolarHBondContact O-NE2 3.08Å
263T87.2Confident83.5Confident48 Ų4855.5 Ų55.529%0.29434%0.344SS..  trans-72.3131.9174.553.60000110.3Q265 V313T263-Q265 VanDerWaalsContact C-N 3.3Å; T263-V313 HydrophobicContact CG2-CG2 4.21Å
264I86.3Confident83.5Confident5 Ų561 Ų613%0.02635%0.353CS..SBendtrans-72.6-29.2178.9-62.8176000111.4V260 I297 M298 L309 V319V260-I264 HydrophobicContact CG1-CG1 4.07Å; V260-I264 HydrophobicContact CG2-CD1 4.24Å; V260-I264 HydrophobicContact CG2-CG1 4.45Å; I264-I297 HydrophobicContact CG2-CB 4.4Å; I264-I297 HydrophobicContact CG2-CD1 4.14Å; I264-I297 HydrophobicContact CG2-CG2 3.68Å; I264-M298 HydrophobicContact CD1-CE 4.06Å; I264-M298 HydrophobicContact CG2-CE 4.33Å; I264-L309 HydrophobicContact CD1-CD1 3.89Å; I264-L309 HydrophobicContact CD1-CD2 3.49Å; I264-L309 VanDerWaalsContact CD1-CD2 3.49Å; I264-L309 HydrophobicContact CD1-CG 4.33Å; I264-V319 HydrophobicContact CB-CG1 4.12Å; I264-V319 HydrophobicContact CB-CG2 4.32Å; I264-V319 HydrophobicContact CD1-CG1 4.13Å
265Q84.1Confident83.5Confident44 Ų4460.6 Ų60.621%0.20635%0.347CS..SBendtrans-63.7129178.5-172.7177.7-43.200110.1T263 L267 I290 P316 V319T263-Q265 VanDerWaalsContact C-N 3.3Å; Q265-L267 PolarHBondContact O-N 3.37Å; Q265-I290 HydrophobicContact CG-CG2 3.42Å; Q265-I290 VanDerWaalsContact CG-CG2 3.42Å; Q265-P316 HydrophobicContact CB-CB 4.48Å; Q265-P316 HydrophobicContact CB-CG 3.87Å; Q265-V319 HydrophobicContact CB-CG2 3.88Å
266P82Confident83.2Confident30 Ų3066 Ų6620%0.19537%0.374CS..PPolyproline II helixtrans-57.7132.4170.9-22.432.2000110.9W289 K293P266-W289 HydrophobicContact CB-CH2 4.04Å; P266-W289 HydrophobicContact CB-CZ3 3.73Å; P266-W289 HydrophobicContact CG-CZ3 4.38Å; P266-K293 HydrophobicContact CG-CB 3.9Å
267L79.8Confident82.9Confident121 Ų12165 Ų6563%0.63438%0.375SS*.PPolyproline II helixtrans-79.5149.6174.4-61.5170.9000110Q265 S269Q265-L267 PolarHBondContact O-N 3.37Å; L267-S269 WeakPolarHBondContact CB-O 3.26Å; L267-S269 PolarHBondContact O-N 2.88Å
268F77.7Confident82.8Confident86 Ų8671 Ų7138%0.37741%0.408SS..SBendtrans-64.3-29.5173.5-71.7-74.4000112.7F275 F283 S286 Q287 I290F268-F275 HydrophobicContact CB-CD1 3.92Å; F268-F275 HydrophobicContact CB-CD2 4.48Å; F268-F275 HydrophobicContact CB-CE1 4.16Å; F268-F275 HydrophobicContact CB-CG 4.08Å; F268-F275 HydrophobicContact CD1-CD1 4.24Å; F268-F275 AromaticContact CD1-CE1 3.64Å; F268-F275 HydrophobicContact CD1-CE1 3.64Å; F268-F275 AromaticContact CD1-CZ 3.89Å; F268-F275 HydrophobicContact CD1-CZ 3.89Å; F268-F275 HydrophobicContact CE1-CE1 4.36Å; F268-F275 HydrophobicContact CG-CD1 4.31Å; F268-F275 HydrophobicContact CG-CE1 4.15Å; F268-F275 WeakPolarHBondContact O-CD2 3.43Å; F268-F283 HydrophobicContact CZ-CE2 4.26Å; F268-S286 WeakPolarHBondContact CE1-OG 3.38Å; F268-Q287 HydrophobicContact CZ-CG 4.11Å; F268-I290 HydrophobicContact CD1-CD1 3.68Å; F268-I290 HydrophobicContact CD2-CD1 4Å; F268-I290 HydrophobicContact CE1-CD1 3.33Å; F268-I290 HydrophobicContact CE1-CG1 4.39Å; F268-I290 HydrophobicContact CE2-CD1 3.7Å; F268-I290 HydrophobicContact CG-CD1 4Å; F268-I290 HydrophobicContact CZ-CD1 3.36Å
269S76.8Confident82.8Confident41 Ų4173.6 Ų73.629%0.28743%0.425SS..SBendtrans-149.5153.2-179.9127.50000109.5L267 S273L267-S269 WeakPolarHBondContact CB-O 3.26Å; L267-S269 PolarHBondContact O-N 2.88Å; S269-S273 WeakPolarHBondContact CB-OG 3.43Å; S269-S273 PolarHBondContact OG-O 2.89Å; S269-S273 PolarHBondContact OG-OG 3.17Å
270T76.8Confident82.9Confident96 Ų9680.3 Ų80.359%0.58946%0.457SS*.  trans-85.3154.9170.6530000110G272 S273T270-G272 PolarHBondContact O-N 3.19Å; T270-G272 VanDerWaalsContact O-N 3.12Å; T270-S273 PolarHBondContact N-OG 3.01Å; T270-S273 VanDerWaalsContact N-OG 3.11Å; T270-S273 PolarHBondContact O-N 3.03Å; T270-S273 PolarHBondContact O-OG 2.93Å; T270-S273 PolarHBondContact OG1-OG 3.49Å
271S69.1Low83Confident131 Ų13183.2 Ų83.292%0.91648%0.481SS*.THydrogen-bonded Turntrans-49.5120.4179.2-58.20000111.9
272G73.1Confident83Confident94 Ų9485 Ų8597%0.96949%0.486SS*.THydrogen-bonded Turntrans91.88.3-179.100000115.5T270T270-G272 PolarHBondContact O-N 3.19Å; T270-G272 VanDerWaalsContact O-N 3.12Å
273S81.6Confident83Confident52 Ų5283.7 Ų83.736%0.36448%0.479SS..  trans-113.8139.4173.163.80000112.4S269 T270S269-S273 WeakPolarHBondContact CB-OG 3.43Å; S269-S273 PolarHBondContact OG-O 2.89Å; S269-S273 PolarHBondContact OG-OG 3.17Å; T270-S273 PolarHBondContact N-OG 3.01Å; T270-S273 VanDerWaalsContact N-OG 3.11Å; T270-S273 PolarHBondContact O-N 3.03Å; T270-S273 PolarHBondContact O-OG 2.93Å; T270-S273 PolarHBondContact OG1-OG 3.49Å
274E80Confident83.2Confident177 Ų17786.6 Ų86.683%0.82749%0.489SS*.  trans-89.5124.5175-68.7-177.8174.400110.3
275F80.4Confident83.3Confident92 Ų9291 Ų9140%0.40452%0.516SS..  trans-91.8105.6174.1-177.8-114.6000109.4F268 L277F268-F275 HydrophobicContact CB-CD1 3.92Å; F268-F275 HydrophobicContact CB-CD2 4.48Å; F268-F275 HydrophobicContact CB-CE1 4.16Å; F268-F275 HydrophobicContact CB-CG 4.08Å; F268-F275 HydrophobicContact CD1-CD1 4.24Å; F268-F275 AromaticContact CD1-CE1 3.64Å; F268-F275 HydrophobicContact CD1-CE1 3.64Å; F268-F275 AromaticContact CD1-CZ 3.89Å; F268-F275 HydrophobicContact CD1-CZ 3.89Å; F268-F275 HydrophobicContact CE1-CE1 4.36Å; F268-F275 HydrophobicContact CG-CD1 4.31Å; F268-F275 HydrophobicContact CG-CE1 4.15Å; F268-F275 WeakPolarHBondContact O-CD2 3.43Å; F275-L277 HydrophobicContact CD1-CD1 4.2Å; F275-L277 HydrophobicContact CD1-CD2 4.29Å; F275-L277 HydrophobicContact CD1-CG 3.94Å; F275-L277 HydrophobicContact CE1-CD1 3.87Å; F275-L277 HydrophobicContact CE1-CD2 3.41Å; F275-L277 VanDerWaalsContact CE1-CD2 3.41Å; F275-L277 HydrophobicContact CE1-CG 3.54Å; F275-L277 HydrophobicContact CZ-CD2 3.71Å; F275-L277 HydrophobicContact CZ-CG 4.26Å
276I82.9Confident83.5Confident122 Ų12289.8 Ų89.863%0.62651%0.513SS*.  trans-92.3123.9-177.4-55.8174.7000109.6
277L85.1Confident83.8Confident72 Ų7292.8 Ų92.838%0.37752%0.524SS..  trans-108.3119.3176.2-73.6166.8000109.8F275 Q282 F283F275-L277 HydrophobicContact CD1-CD1 4.2Å; F275-L277 HydrophobicContact CD1-CD2 4.29Å; F275-L277 HydrophobicContact CD1-CG 3.94Å; F275-L277 HydrophobicContact CE1-CD1 3.87Å; F275-L277 HydrophobicContact CE1-CD2 3.41Å; F275-L277 VanDerWaalsContact CE1-CD2 3.41Å; F275-L277 HydrophobicContact CE1-CG 3.54Å; F275-L277 HydrophobicContact CZ-CD2 3.71Å; F275-L277 HydrophobicContact CZ-CG 4.26Å; L277-Q282 HydrophobicContact CD2-CB 4.38Å; L277-F283 HydrophobicContact CD1-CB 4.15Å; L277-F283 HydrophobicContact CD1-CD2 3.49Å; L277-F283 VanDerWaalsContact CD1-CD2 3.49Å; L277-F283 HydrophobicContact CD1-CE2 4.24Å; L277-F283 HydrophobicContact CD1-CG 4.14Å; L277-F283 HydrophobicContact CD2-CB 4Å; L277-F283 HydrophobicContact CD2-CD2 4.27Å
278N88.9Confident84.3Confident127 Ų12792.8 Ų92.868%0.67952%0.519SS*.  trans-97.8-9.3-178.6-61.2-40.7000113.1
279S92.5Very high84.9Confident53 Ų5395.1 Ų95.137%0.37153%0.525SS..  trans-159158.8175.971.40000113A281 Q282 F283S279-A281 VanDerWaalsContact C-N 3.28Å; S279-A281 PolarHBondContact O-N 3.41Å; S279-Q282 PolarHBondContact O-N 3.27Å; S279-Q282 WeakPolarHBondContact OG-CG 3.4Å; S279-Q282 PolarHBondContact OG-N 2.99Å; S279-Q282 VanDerWaalsContact OG-N 3.16Å; S279-F283 PolarHBondContact O-N 3.34Å
280E92.9Very high85.5Confident146 Ų14693.3 Ų93.368%0.68251%0.512SS*.Hα-helixtrans-61.6-37172.7-172.8177.8174.500111.9Q282 F283 Q284E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.18Å; E280-F283 WeakPolarHBondContact O-CB 3.32Å; E280-F283 PolarHBondContact O-N 3.5Å; E280-F283 VanDerWaalsContact O-N 3.14Å; E280-Q284 WeakPolarHBondContact O-CG 3.38Å; E280-Q284 PolarHBondContact O-N 3.23Å; E280-Q284 PolarHBondContact OE1-NE2 2.65Å
281A90.9Very high86.2Confident61 Ų6191.2 Ų91.250%0.50450%0.496SS..Hα-helixtrans-62.6-37.1176.600000112.4S279 T285S279-A281 VanDerWaalsContact C-N 3.28Å; S279-A281 PolarHBondContact O-N 3.41Å; A281-T285 WeakPolarHBondContact O-CB 3.19Å; A281-T285 PolarHBondContact O-N 2.89Å; A281-T285 PolarHBondContact O-OG1 3.06Å
282Q88.1Confident87.2Confident86 Ų8688.2 Ų88.240%0.40247%0.468SS..Hα-helixtrans-65.7-41.2173.7-76.9177.8-2.200111.3L277 S279 E280 T285 S286L277-Q282 HydrophobicContact CD2-CB 4.38Å; S279-Q282 PolarHBondContact O-N 3.27Å; S279-Q282 WeakPolarHBondContact OG-CG 3.4Å; S279-Q282 PolarHBondContact OG-N 2.99Å; S279-Q282 VanDerWaalsContact OG-N 3.16Å; E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.18Å; Q282-T285 PolarHBondContact O-N 3.32Å; Q282-S286 WeakPolarHBondContact O-CB 3.19Å; Q282-S286 PolarHBondContact O-N 2.94Å; Q282-S286 PolarHBondContact O-OG 3.02Å
283F87.2Confident87.9Confident74 Ų7487 Ų8733%0.32544%0.436SS..Hα-helixtrans-61.4-49.3175.4-177.4-116.8000111.5F268 L277 S279 E280 T285 S286 Q287F268-F283 HydrophobicContact CZ-CE2 4.26Å; L277-F283 HydrophobicContact CD1-CB 4.15Å; L277-F283 HydrophobicContact CD1-CD2 3.49Å; L277-F283 VanDerWaalsContact CD1-CD2 3.49Å; L277-F283 HydrophobicContact CD1-CE2 4.24Å; L277-F283 HydrophobicContact CD1-CG 4.14Å; L277-F283 HydrophobicContact CD2-CB 4Å; L277-F283 HydrophobicContact CD2-CD2 4.27Å; S279-F283 PolarHBondContact O-N 3.34Å; E280-F283 WeakPolarHBondContact O-CB 3.32Å; E280-F283 PolarHBondContact O-N 3.5Å; E280-F283 VanDerWaalsContact O-N 3.14Å; F283-T285 VanDerWaalsContact C-N 3.33Å; F283-T285 PolarHBondContact O-N 3.13Å; F283-S286 WeakPolarHBondContact CA-OG 3.44Å; F283-S286 PolarHBondContact O-N 3.28Å; F283-S286 VanDerWaalsContact O-N 3.15Å; F283-S286 PolarHBondContact O-OG 2.9Å; F283-Q287 HydrophobicContact CE1-CG 4.28Å; F283-Q287 VanDerWaalsContact CE1-NE2 3.29Å; F283-Q287 HydrophobicContact CE2-CG 4.25Å; F283-Q287 HydrophobicContact CZ-CG 4.12Å; F283-Q287 WeakPolarHBondContact O-CG 3.42Å; F283-Q287 PolarHBondContact O-N 3.5Å
284Q90.5Very high88.3Confident109 Ų10984.5 Ų84.551%0.50942%0.419SS..Hα-helixtrans-59.9-41.9176.8-68.8179.43.600112.2E280 S286 Q287 F288E280-Q284 WeakPolarHBondContact O-CG 3.38Å; E280-Q284 PolarHBondContact O-N 3.23Å; E280-Q284 PolarHBondContact OE1-NE2 2.65Å; Q284-S286 VanDerWaalsContact C-N 3.34Å; Q284-S286 PolarHBondContact O-N 3.44Å; Q284-Q287 PolarHBondContact O-N 2.91Å; Q284-F288 WeakPolarHBondContact O-CB 3.28Å; Q284-F288 PolarHBondContact O-N 2.76Å
285T89.3Confident88.9Confident97 Ų9778.7 Ų78.760%0.59539%0.391SS*.Hα-helixtrans-63.7-40.7176.6-55.20000111.4A281 Q282 F283 F288 W289A281-T285 WeakPolarHBondContact O-CB 3.19Å; A281-T285 PolarHBondContact O-N 2.89Å; A281-T285 PolarHBondContact O-OG1 3.06Å; Q282-T285 PolarHBondContact O-N 3.32Å; F283-T285 VanDerWaalsContact C-N 3.33Å; F283-T285 PolarHBondContact O-N 3.13Å; T285-F288 PolarHBondContact O-N 3.12Å; T285-W289 WeakPolarHBondContact O-CB 3.33Å; T285-W289 PolarHBondContact O-N 3.13Å
286S87.6Confident89.3Confident19 Ų1976.5 Ų76.513%0.13339%0.389CS..Hα-helixtrans-67-39.6177.5700000112.4F268 Q282 F283 Q284 W289 I290F268-S286 WeakPolarHBondContact CE1-OG 3.38Å; Q282-S286 WeakPolarHBondContact O-CB 3.19Å; Q282-S286 PolarHBondContact O-N 2.94Å; Q282-S286 PolarHBondContact O-OG 3.02Å; F283-S286 WeakPolarHBondContact CA-OG 3.44Å; F283-S286 PolarHBondContact O-N 3.28Å; F283-S286 VanDerWaalsContact O-N 3.15Å; F283-S286 PolarHBondContact O-OG 2.9Å; Q284-S286 VanDerWaalsContact C-N 3.34Å; Q284-S286 PolarHBondContact O-N 3.44Å; S286-W289 WeakPolarHBondContact O-CB 3.31Å; S286-W289 PolarHBondContact O-N 2.79Å; S286-I290 WeakPolarHBondContact O-CG1 3.16Å; S286-I290 PolarHBondContact O-N 2.79Å
287Q88.4Confident89.6Confident92 Ų9271.5 Ų71.543%0.4336%0.364SS..Hα-helixtrans-62.9-44.4172.7-72.5-175.7-38.100111.7F268 F283 Q284 W289 I290 M291F268-Q287 HydrophobicContact CZ-CG 4.11Å; F283-Q287 HydrophobicContact CE1-CG 4.28Å; F283-Q287 VanDerWaalsContact CE1-NE2 3.29Å; F283-Q287 HydrophobicContact CE2-CG 4.25Å; F283-Q287 HydrophobicContact CZ-CG 4.12Å; F283-Q287 WeakPolarHBondContact O-CG 3.42Å; F283-Q287 PolarHBondContact O-N 3.5Å; Q284-Q287 PolarHBondContact O-N 2.91Å; Q287-W289 VanDerWaalsContact C-N 3.31Å; Q287-W289 PolarHBondContact O-N 2.87Å; Q287-I290 PolarHBondContact O-N 3.22Å; Q287-M291 WeakPolarHBondContact O-CB 3.35Å; Q287-M291 PolarHBondContact O-N 2.99Å
288F90.1Very high89.9Confident121 Ų12168 Ų6853%0.53135%0.346SS..Hα-helixtrans-61.7-39.9176.2-173.8-93.4000111.8Q284 T285 M291 E292Q284-F288 WeakPolarHBondContact O-CB 3.28Å; Q284-F288 PolarHBondContact O-N 2.76Å; T285-F288 PolarHBondContact O-N 3.12Å; F288-M291 HydrophobicContact CD2-CE 3.38Å; F288-M291 HydrophobicContact CE2-CE 3.42Å; F288-M291 VanDerWaalsContact CE2-CE 3.42Å; F288-M291 HydrophobicContact CG-CE 4.26Å; F288-M291 HydrophobicContact CZ-CE 4.33Å; F288-M291 WeakPolarHBondContact O-CB 3.44Å; F288-M291 PolarHBondContact O-N 3.27Å; F288-E292 HydrophobicContact CD1-CG 4.15Å; F288-E292 HydrophobicContact CE1-CG 3.58Å; F288-E292 HydrophobicContact CE2-CG 4.39Å; F288-E292 HydrophobicContact CZ-CG 3.72Å; F288-E292 PolarHBondContact O-N 2.69Å
289W90.5Very high90Very high135 Ų13567.6 Ų67.651%0.51134%0.338SS..Hα-helixtrans-61.2-47.8174.5178.291.1000112P266 T285 S286 Q287 M291 E292 K293P266-W289 HydrophobicContact CB-CH2 4.04Å; P266-W289 HydrophobicContact CB-CZ3 3.73Å; P266-W289 HydrophobicContact CG-CZ3 4.38Å; T285-W289 WeakPolarHBondContact O-CB 3.33Å; T285-W289 PolarHBondContact O-N 3.13Å; S286-W289 WeakPolarHBondContact O-CB 3.31Å; S286-W289 PolarHBondContact O-N 2.79Å; Q287-W289 VanDerWaalsContact C-N 3.31Å; Q287-W289 PolarHBondContact O-N 2.87Å; W289-M291 VanDerWaalsContact C-N 3.27Å; W289-M291 PolarHBondContact O-N 3.33Å; W289-E292 PolarHBondContact O-N 3.21Å; W289-K293 HydrophobicContact CD2-CG 3.96Å; W289-K293 HydrophobicContact CE3-CG 4.39Å; W289-K293 HydrophobicContact CG-CG 4.43Å; W289-K293 HydrophobicContact CH2-CG 4.35Å; W289-K293 HydrophobicContact CZ2-CD 4.31Å; W289-K293 HydrophobicContact CZ2-CG 3.93Å; W289-K293 WeakPolarHBondContact O-CB 3.32Å; W289-K293 WeakPolarHBondContact O-CG 3.41Å; W289-K293 PolarHBondContact O-N 3.14Å
290I89.3Confident89.8Confident3 Ų367.2 Ų67.22%0.01533%0.33CS..Hα-helixtrans-58.2-42.6175.8-70.3179.3000110.9Q265 F268 S286 Q287 K293 T294 L318Q265-I290 HydrophobicContact CG-CG2 3.42Å; Q265-I290 VanDerWaalsContact CG-CG2 3.42Å; F268-I290 HydrophobicContact CD1-CD1 3.68Å; F268-I290 HydrophobicContact CD2-CD1 4Å; F268-I290 HydrophobicContact CE1-CD1 3.33Å; F268-I290 HydrophobicContact CE1-CG1 4.39Å; F268-I290 HydrophobicContact CE2-CD1 3.7Å; F268-I290 HydrophobicContact CG-CD1 4Å; F268-I290 HydrophobicContact CZ-CD1 3.36Å; S286-I290 WeakPolarHBondContact O-CG1 3.16Å; S286-I290 PolarHBondContact O-N 2.79Å; Q287-I290 PolarHBondContact O-N 3.22Å; I290-K293 PolarHBondContact O-N 3.18Å; I290-T294 WeakPolarHBondContact O-CB 3.22Å; I290-T294 PolarHBondContact O-N 3.23Å; I290-T294 PolarHBondContact O-OG1 2.91Å; I290-L318 HydrophobicContact CG2-CD2 4.21Å
291M91.7Very high89.6Confident52 Ų5260.4 Ų60.426%0.25630%0.298SS..Hα-helixtrans-61.9-54.1178.6-179.5-1757300112.1Q287 F288 W289 K293 T294 K295 L318 Y322Q287-M291 WeakPolarHBondContact O-CB 3.35Å; Q287-M291 PolarHBondContact O-N 2.99Å; F288-M291 HydrophobicContact CD2-CE 3.38Å; F288-M291 HydrophobicContact CE2-CE 3.42Å; F288-M291 VanDerWaalsContact CE2-CE 3.42Å; F288-M291 HydrophobicContact CG-CE 4.26Å; F288-M291 HydrophobicContact CZ-CE 4.33Å; F288-M291 WeakPolarHBondContact O-CB 3.44Å; F288-M291 PolarHBondContact O-N 3.27Å; W289-M291 VanDerWaalsContact C-N 3.27Å; W289-M291 PolarHBondContact O-N 3.33Å; M291-K293 VanDerWaalsContact C-N 3.27Å; M291-K293 PolarHBondContact O-N 3.1Å; M291-T294 PolarHBondContact O-N 2.98Å; M291-K295 WeakPolarHBondContact O-CB 3.38Å; M291-K295 PolarHBondContact O-N 3.23Å; M291-L318 HydrophobicContact CB-CD2 4.21Å; M291-L318 HydrophobicContact CG-CD1 4.24Å; M291-Y322 HydrophobicContact CG-CE2 3.81Å; M291-Y322 WeakPolarHBondContact CG-OH 3.07Å; M291-Y322 PolarHBondContact SD-OH 3.34Å
292E90.7Very high89.6Confident68 Ų6864.6 Ų64.632%0.31830%0.301SS..Hα-helixtrans-64.5-32.9179.5-75.1-61.1114.800111.8F288 W289 K295 A296F288-E292 HydrophobicContact CD1-CG 4.15Å; F288-E292 HydrophobicContact CE1-CG 3.58Å; F288-E292 HydrophobicContact CE2-CG 4.39Å; F288-E292 HydrophobicContact CZ-CG 3.72Å; F288-E292 PolarHBondContact O-N 2.69Å; W289-E292 PolarHBondContact O-N 3.21Å; E292-K295 VanDerWaalsContact CD-NZ 3.32Å; E292-K295 WeakPolarHBondContact OE1-CD 3.44Å; E292-K295 IonicContact OE1-NZ 2.74Å; E292-K295 PolarHBondContact OE1-NZ 3.21Å; E292-K295 IonicContact OE2-NZ 3.03Å; E292-K295 PolarHBondContact OE2-NZ 3.32Å; E292-A296 WeakPolarHBondContact O-CB 3.26Å; E292-A296 PolarHBondContact O-N 2.93Å
293K87.4Confident89.6Confident68 Ų6864.4 Ų64.430%0.29631%0.309SS..Hα-helixtrans-66-47.7173-72.9-67.7-177.6-178.30112.5P266 W289 I290 M291 K295 A296 I297P266-K293 HydrophobicContact CG-CB 3.9Å; W289-K293 HydrophobicContact CD2-CG 3.96Å; W289-K293 HydrophobicContact CE3-CG 4.39Å; W289-K293 HydrophobicContact CG-CG 4.43Å; W289-K293 HydrophobicContact CH2-CG 4.35Å; W289-K293 HydrophobicContact CZ2-CD 4.31Å; W289-K293 HydrophobicContact CZ2-CG 3.93Å; W289-K293 WeakPolarHBondContact O-CB 3.32Å; W289-K293 WeakPolarHBondContact O-CG 3.41Å; W289-K293 PolarHBondContact O-N 3.14Å; I290-K293 PolarHBondContact O-N 3.18Å; M291-K293 VanDerWaalsContact C-N 3.27Å; M291-K293 PolarHBondContact O-N 3.1Å; K293-K295 VanDerWaalsContact C-N 3.3Å; K293-K295 PolarHBondContact O-N 3.29Å; K293-A296 WeakPolarHBondContact O-CB 3.44Å; K293-A296 PolarHBondContact O-N 3.44Å; K293-A296 VanDerWaalsContact O-N 3.14Å; K293-I297 WeakPolarHBondContact O-CG1 3.41Å; K293-I297 PolarHBondContact O-N 3.15Å
294T90.3Very high89.6Confident0 Ų064.3 Ų64.30%031%0.31CS..Hα-helixtrans-59.6-43.9177.6-57.50000110.8I290 M291 A296 I297 M298 L318 V319 Y322I290-T294 WeakPolarHBondContact O-CB 3.22Å; I290-T294 PolarHBondContact O-N 3.23Å; I290-T294 PolarHBondContact O-OG1 2.91Å; M291-T294 PolarHBondContact O-N 2.98Å; T294-A296 PolarHBondContact O-N 3.09Å; T294-I297 PolarHBondContact O-N 2.92Å; T294-M298 WeakPolarHBondContact O-CG 3.46Å; T294-M298 PolarHBondContact O-N 2.95Å; T294-L318 HydrophobicContact CG2-CG 4.4Å; T294-V319 HydrophobicContact CG2-CB 4.47Å; T294-V319 HydrophobicContact CG2-CG2 3.89Å; T294-Y322 HydrophobicContact CG2-CD2 4.14Å
295K91.8Very high89.5Confident56 Ų5662 Ų6224%0.24330%0.301CS..Hα-helixtrans-61-41.9174.5179.4-174.1175.1-163.40112.5M291 E292 K293 M298 K299 Y322M291-K295 WeakPolarHBondContact O-CB 3.38Å; M291-K295 PolarHBondContact O-N 3.23Å; E292-K295 VanDerWaalsContact CD-NZ 3.32Å; E292-K295 WeakPolarHBondContact OE1-CD 3.44Å; E292-K295 IonicContact OE1-NZ 2.74Å; E292-K295 PolarHBondContact OE1-NZ 3.21Å; E292-K295 IonicContact OE2-NZ 3.03Å; E292-K295 PolarHBondContact OE2-NZ 3.32Å; K293-K295 VanDerWaalsContact C-N 3.3Å; K293-K295 PolarHBondContact O-N 3.29Å; K295-M298 PolarHBondContact O-N 3.38Å; K295-K299 WeakPolarHBondContact O-CG 3.3Å; K295-K299 PolarHBondContact O-N 3.4Å; K295-Y322 HydrophobicContact CB-CD1 4.1Å; K295-Y322 HydrophobicContact CB-CD2 4.24Å; K295-Y322 HydrophobicContact CB-CE1 3.95Å; K295-Y322 HydrophobicContact CB-CE2 4.07Å; K295-Y322 HydrophobicContact CB-CG 4.26Å; K295-Y322 HydrophobicContact CD-CE1 4.02Å; K295-Y322 HydrophobicContact CG-CD1 4.08Å; K295-Y322 HydrophobicContact CG-CE1 3.85Å
296A89.9Confident89.6Confident45 Ų4557.5 Ų57.537%0.37227%0.273SS..Hα-helixtrans-63.8-42.6176.300000111.9E292 K293 T294 K299 H300E292-A296 WeakPolarHBondContact O-CB 3.26Å; E292-A296 PolarHBondContact O-N 2.93Å; K293-A296 WeakPolarHBondContact O-CB 3.44Å; K293-A296 PolarHBondContact O-N 3.44Å; K293-A296 VanDerWaalsContact O-N 3.14Å; T294-A296 PolarHBondContact O-N 3.09Å; A296-K299 PolarHBondContact O-N 3.41Å; A296-H300 WeakPolarHBondContact O-CB 3.43Å; A296-H300 PolarHBondContact O-N 3.47Å
297I88.1Confident89.9Confident17 Ų1758.8 Ų58.89%0.08728%0.276CS..Hα-helixtrans-60.9-46.3176-65.1164.6000110.7I264 K293 T294 K299 H300 L301 F357I264-I297 HydrophobicContact CG2-CB 4.4Å; I264-I297 HydrophobicContact CG2-CD1 4.14Å; I264-I297 HydrophobicContact CG2-CG2 3.68Å; K293-I297 WeakPolarHBondContact O-CG1 3.41Å; K293-I297 PolarHBondContact O-N 3.15Å; T294-I297 PolarHBondContact O-N 2.92Å; I297-K299 PolarHBondContact O-N 2.82Å; I297-H300 WeakPolarHBondContact O-CB 3.07Å; I297-H300 PolarHBondContact O-N 3.42Å; I297-H300 VanDerWaalsContact O-N 3.14Å; I297-L301 HydrophobicContact CG2-CD1 4.33Å; I297-L301 WeakPolarHBondContact O-CG 3.21Å; I297-L301 PolarHBondContact O-N 2.79Å; I297-F357 HydrophobicContact CG1-CE2 4.39Å; I297-F357 HydrophobicContact CG1-CZ 4.17Å
298M91.5Very high90.2Very high0 Ų054.4 Ų54.40%026%0.256CS..Hα-helixtrans-64.7-38.9179-68.8-61.1169.100113.1I264 T294 K295 H300 L301 R302 V319 A323 N326 I328I264-M298 HydrophobicContact CD1-CE 4.06Å; I264-M298 HydrophobicContact CG2-CE 4.33Å; T294-M298 WeakPolarHBondContact O-CG 3.46Å; T294-M298 PolarHBondContact O-N 2.95Å; K295-M298 PolarHBondContact O-N 3.38Å; M298-H300 VanDerWaalsContact C-N 3.31Å; M298-H300 PolarHBondContact O-N 2.82Å; M298-L301 PolarHBondContact O-N 3.42Å; M298-L301 HydrophobicContact SD-CD1 3.95Å; M298-R302 PolarHBondContact O-N 2.98Å; M298-V319 HydrophobicContact CE-CB 4.21Å; M298-V319 HydrophobicContact CE-CG1 3.2Å; M298-A323 HydrophobicContact CE-CB 4.25Å; M298-A323 HydrophobicContact SD-CB 4.03Å; M298-N326 WeakPolarHBondContact CB-ND2 3.35Å; M298-I328 HydrophobicContact SD-CD1 4.12Å
299K91.1Very high90.4Very high118 Ų11848.7 Ų48.751%0.51323%0.231SC..Hα-helixtrans-62.8-39.5172.2-77.5-176.8176.2-172.70111.8K295 A296 I297 R302 S303K295-K299 WeakPolarHBondContact O-CG 3.3Å; K295-K299 PolarHBondContact O-N 3.4Å; A296-K299 PolarHBondContact O-N 3.41Å; I297-K299 PolarHBondContact O-N 2.82Å; K299-R302 PolarHBondContact O-N 3.19Å; K299-S303 PolarHBondContact O-N 3.11Å
300H88.5Confident90.6Very high45 Ų4542.3 Ų42.321%0.20821%0.207CC..Hα-helixtrans-65.3-44.9177-177.564.2000111.4A296 I297 M298 R302 S303 Q304 C360 I362A296-H300 WeakPolarHBondContact O-CB 3.43Å; A296-H300 PolarHBondContact O-N 3.47Å; I297-H300 WeakPolarHBondContact O-CB 3.07Å; I297-H300 PolarHBondContact O-N 3.42Å; I297-H300 VanDerWaalsContact O-N 3.14Å; M298-H300 VanDerWaalsContact C-N 3.31Å; M298-H300 PolarHBondContact O-N 2.82Å; H300-R302 VanDerWaalsContact C-N 3.32Å; H300-R302 PolarHBondContact O-N 3.45Å; H300-S303 WeakPolarHBondContact O-CB 3.31Å; H300-S303 PolarHBondContact O-N 3.39Å; H300-S303 VanDerWaalsContact O-N 3.1Å; H300-S303 PolarHBondContact O-OG 2.88Å; H300-Q304 PolarHBondContact O-N 3.17Å; H300-C360 PolarHBondContact NE2-O 3.08Å; H300-C360 PolarHBondContact NE2-SG 3.42Å; H300-I362 VanDerWaalsContact CD2-CD1 3.49Å; H300-I362 WeakPolarHBondContact CD2-CD1 3.37Å
301L89Confident90.8Very high2 Ų242.1 Ų42.11%0.0121%0.206CC..Hα-helixtrans-57.4-44.5173.3-71.6172.9000111.9V258 I297 M298 S303 Q304 V306 I328 I362V258-L301 HydrophobicContact CG2-CD2 4.29Å; I297-L301 HydrophobicContact CG2-CD1 4.33Å; I297-L301 WeakPolarHBondContact O-CG 3.21Å; I297-L301 PolarHBondContact O-N 2.79Å; M298-L301 PolarHBondContact O-N 3.42Å; M298-L301 HydrophobicContact SD-CD1 3.95Å; L301-S303 VanDerWaalsContact C-N 3.34Å; L301-S303 PolarHBondContact O-N 3.25Å; L301-Q304 PolarHBondContact O-N 3.42Å; L301-Q304 VanDerWaalsContact O-N 3.15Å; L301-V306 HydrophobicContact CB-CB 4.21Å; L301-V306 HydrophobicContact CD2-CG2 4.25Å; L301-V306 VanDerWaalsContact O-CB 3.32Å; L301-V306 WeakPolarHBondContact O-CB 3.38Å; L301-V306 PolarHBondContact O-N 3.43Å; L301-V306 VanDerWaalsContact O-N 3.08Å; L301-I328 HydrophobicContact CB-CD1 3.83Å; L301-I328 HydrophobicContact CD1-CD1 4.49Å; L301-I362 HydrophobicContact CD2-CD1 3.64Å
302R90.5Very high90.9Very high150 Ų15041.4 Ų41.457%0.56621%0.206SC*.Hα-helixtrans-61.3-40.6175-176.6-177.8172.5-177.20.3112.4M298 K299 H300 Q304 N305 N326M298-R302 PolarHBondContact O-N 2.98Å; K299-R302 PolarHBondContact O-N 3.19Å; H300-R302 VanDerWaalsContact C-N 3.32Å; H300-R302 PolarHBondContact O-N 3.45Å; R302-Q304 PolarHBondContact O-N 3.31Å; R302-N305 WeakPolarHBondContact O-CA 3.46Å; R302-N305 PolarHBondContact O-N 3.04Å; R302-N326 HydrophobicContact CB-CB 4.28Å
303S89Confident90.9Very high82 Ų8240.4 Ų40.457%0.57320%0.204SC*.Hα-helixtrans-62.1-26.9177.575.70000112.9K299 H300 L301 N305K299-S303 PolarHBondContact O-N 3.11Å; H300-S303 WeakPolarHBondContact O-CB 3.31Å; H300-S303 PolarHBondContact O-N 3.39Å; H300-S303 VanDerWaalsContact O-N 3.1Å; H300-S303 PolarHBondContact O-OG 2.88Å; L301-S303 VanDerWaalsContact C-N 3.34Å; L301-S303 PolarHBondContact O-N 3.25Å; S303-N305 VanDerWaalsContact C-N 3.26Å; S303-N305 PolarHBondContact O-N 3.38Å
304Q86.7Confident91.3Very high72 Ų7243.9 Ų43.934%0.33622%0.22SC..THydrogen-bonded Turntrans-87.211174.2-62.8-61.1-33.600113.2R256 H300 L301 R302 V306 I362R256-Q304 WeakPolarHBondContact CD-O 3.27Å; H300-Q304 PolarHBondContact O-N 3.17Å; L301-Q304 PolarHBondContact O-N 3.42Å; L301-Q304 VanDerWaalsContact O-N 3.15Å; R302-Q304 PolarHBondContact O-N 3.31Å; Q304-V306 HydrophobicContact CB-CG2 4.21Å; Q304-V306 PolarHBondContact O-N 3.24Å; Q304-I362 HydrophobicContact CG-CD1 4.3Å
305N88.4Confident91.4Very high60 Ų6044 Ų4432%0.32122%0.22SC..THydrogen-bonded Turntrans58.428.9-176.2-164.935.1000113.8R256 R302 S303 K307R256-N305 WeakPolarHBondContact CB-O 3.3Å; R302-N305 WeakPolarHBondContact O-CA 3.46Å; R302-N305 PolarHBondContact O-N 3.04Å; S303-N305 VanDerWaalsContact C-N 3.26Å; S303-N305 PolarHBondContact O-N 3.38Å; N305-K307 VanDerWaalsContact OD1-CE 3.26Å; N305-K307 WeakPolarHBondContact OD1-CE 3.49Å
306V91.4Very high91.5Very high3 Ų343.2 Ų43.22%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-75.2125.2171.5-179.30000108.8R256 V258 L301 Q304 T365R256-V306 HydrophobicContact CB-CG2 4.47Å; R256-V306 WeakPolarHBondContact O-CA 3.4Å; V258-V306 HydrophobicContact CB-CG1 4.33Å; V258-V306 HydrophobicContact CG2-CB 4.48Å; V258-V306 HydrophobicContact CG2-CG1 3.82Å; V258-V306 HydrophobicContact CG2-CG2 3.78Å; L301-V306 HydrophobicContact CB-CB 4.21Å; L301-V306 HydrophobicContact CD2-CG2 4.25Å; L301-V306 VanDerWaalsContact O-CB 3.32Å; L301-V306 WeakPolarHBondContact O-CB 3.38Å; L301-V306 PolarHBondContact O-N 3.43Å; L301-V306 VanDerWaalsContact O-N 3.08Å; Q304-V306 HydrophobicContact CB-CG2 4.21Å; Q304-V306 PolarHBondContact O-N 3.24Å; V306-T365 HydrophobicContact CG2-CG2 3.9Å
307K93.6Very high91.7Very high45 Ų4547.1 Ų47.120%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-121.8-8179.8-59.2-175.6-172155.80112.9A251 D252 D254 I255 R256 N305 S329A251-K307 HydrophobicContact CB-CB 4.25Å; A251-K307 HydrophobicContact CB-CD 3.6Å; D252-K307 PolarHBondContact O-NZ 3.08Å; D254-K307 WeakPolarHBondContact O-CE 3.34Å; D254-K307 PolarHBondContact O-NZ 3.06Å; I255-K307 HydrophobicContact CG2-CB 4.21Å; R256-K307 PolarHBondContact O-N 3.41Å; N305-K307 VanDerWaalsContact OD1-CE 3.26Å; N305-K307 WeakPolarHBondContact OD1-CE 3.49Å; K307-S329 PolarHBondContact O-N 3.22Å
308L94.5Very high92Very high1 Ų148.6 Ų48.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-133.4129.4178.7178.863.5000111.2F245 I255 R256 M257 V258 L310 S329 V331 C371 L384F245-L308 HydrophobicContact CE1-CD1 4.39Å; I255-L308 HydrophobicContact CG2-CB 4.01Å; R256-L308 PolarHBondContact O-N 3.18Å; M257-L308 CarbonylContact C-O 3.59Å; M257-L308 WeakPolarHBondContact CA-O 3.3Å; M257-L308 HydrophobicContact CB-CB 3.82Å; M257-L308 HydrophobicContact CB-CD2 3.86Å; M257-L308 HydrophobicContact CB-CG 4Å; M257-L308 HydrophobicContact SD-CD2 4.38Å; V258-L308 PolarHBondContact N-O 2.73Å; L308-L310 HydrophobicContact CD1-CD2 4Å; L308-L310 HydrophobicContact CD2-CD2 4.12Å; L308-L310 HydrophobicContact CD2-CG 4.32Å; L308-L310 HydrophobicContact CG-CD2 4.05Å; L308-L310 HydrophobicContact CG-CG 4.25Å; L308-S329 CarbonylContact C-O 3.59Å; L308-S329 WeakPolarHBondContact CA-O 3.44Å; L308-V331 HydrophobicContact CD1-CG2 4.3Å; L308-C371 HydrophobicContact CD2-CB 4.02Å; L308-L384 HydrophobicContact CD2-CD1 3.63Å
309L94.1Very high92.1Very high1 Ų148.6 Ų48.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-117.3116.8174.1177.666.6000109.4V260 I264 I328 S329 V330 V331V260-L309 HydrophobicContact CB-CD1 4.39Å; V260-L309 HydrophobicContact CG2-CD1 3.44Å; V260-L309 VanDerWaalsContact CG2-CD1 3.44Å; I264-L309 HydrophobicContact CD1-CD1 3.89Å; I264-L309 HydrophobicContact CD1-CD2 3.49Å; I264-L309 VanDerWaalsContact CD1-CD2 3.49Å; I264-L309 HydrophobicContact CD1-CG 4.33Å; L309-I328 HydrophobicContact CB-CG2 3.98Å; L309-S329 PolarHBondContact N-O 2.93Å; L309-V330 HydrophobicContact CB-CG2 4.3Å; L309-V330 HydrophobicContact CD2-CG1 4.13Å; L309-V330 HydrophobicContact CD2-CG2 4.18Å; L309-V330 WeakPolarHBondContact O-CA 3.34Å; L309-V331 PolarHBondContact O-N 3.28Å
310L94.4Very high92.3Very high0 Ų044.2 Ų44.20%023%0.225CC..EExtended strand (participates in β ladder)trans-103.4125.4173.7-61.7-174.1000108.9M257 V258 I259 V260 L308 V331 L334 I342 L384M257-L310 HydrophobicContact CE-CD1 4.07Å; M257-L310 HydrophobicContact SD-CD1 3.77Å; V258-L310 PolarHBondContact O-N 2.82Å; I259-L310 CarbonylContact C-O 3.5Å; I259-L310 VanDerWaalsContact CA-O 3.29Å; I259-L310 WeakPolarHBondContact CA-O 3.21Å; I259-L310 HydrophobicContact CG1-CB 4.34Å; I259-L310 HydrophobicContact CG1-CD1 4.46Å; V260-L310 PolarHBondContact N-O 3.13Å; L308-L310 HydrophobicContact CD1-CD2 4Å; L308-L310 HydrophobicContact CD2-CD2 4.12Å; L308-L310 HydrophobicContact CD2-CG 4.32Å; L308-L310 HydrophobicContact CG-CD2 4.05Å; L308-L310 HydrophobicContact CG-CG 4.25Å; L310-V331 HydrophobicContact CD2-CB 3.79Å; L310-V331 HydrophobicContact CD2-CG2 3.92Å; L310-L334 HydrophobicContact CB-CD1 3.74Å; L310-L334 HydrophobicContact CD1-CD1 4.46Å; L310-L334 HydrophobicContact CD2-CD1 4.28Å; L310-L334 HydrophobicContact CG-CD1 4.38Å; L310-I342 HydrophobicContact CD1-CD1 3.96Å; L310-I342 HydrophobicContact CD1-CG2 4.49Å; L310-L384 HydrophobicContact CD1-CD2 4.26Å
311S94.4Very high92.6Very high0 Ų049 Ų490%024%0.242CC..EExtended strand (participates in β ladder)trans-124.8135.4-179.9-165.30000112.9V260 V313 Q315 V331 E332 C333 L334V260-S311 VanDerWaalsContact O-CA 3.3Å; V260-S311 WeakPolarHBondContact O-CA 3.49Å; V260-S311 PolarHBondContact O-OG 2.99Å; S311-V313 VanDerWaalsContact C-N 3.31Å; S311-V313 WeakPolarHBondContact CB-O 3.27Å; S311-V313 PolarHBondContact OG-N 3.35Å; S311-V313 PolarHBondContact OG-O 3.05Å; S311-V313 VanDerWaalsContact OG-O 3.06Å; S311-Q315 PolarHBondContact OG-NE2 3.37Å; S311-V331 PolarHBondContact N-O 2.97Å; S311-E332 CarbonylContact O-C 3.59Å; S311-C333 PolarHBondContact O-N 3.06Å; S311-L334 PolarHBondContact O-N 3.21Å
312S93.4Very high92.9Very high36 Ų3650.2 Ų50.225%0.25225%0.247SC..SBendtrans-76-22170.866.90000112.7V260 T261 L334V260-S312 PolarHBondContact O-N 3.11Å; T261-S312 VanDerWaalsContact CA-OG 3.27Å; T261-S312 WeakPolarHBondContact CA-OG 3.21Å; T261-S312 PolarHBondContact O-OG 2.88Å; S312-L334 WeakPolarHBondContact CA-O 3.17Å
313V92Very high93.1Very high48 Ų4843.1 Ų43.129%0.29122%0.22SC..SBendtrans-107.9163.5178.9-62.80000110.8T261 E262 T263 S311 C333T261-V313 WeakPolarHBondContact O-CG1 3.36Å; E262-V313 VanDerWaalsContact C-CG2 3.45Å; T263-V313 HydrophobicContact CG2-CG2 4.21Å; S311-V313 VanDerWaalsContact C-N 3.31Å; S311-V313 WeakPolarHBondContact CB-O 3.27Å; S311-V313 PolarHBondContact OG-N 3.35Å; S311-V313 PolarHBondContact OG-O 3.05Å; S311-V313 VanDerWaalsContact OG-O 3.06Å; V313-C333 PolarHBondContact O-N 3.1Å
314K94.3Very high93.4Very high141 Ų14140.4 Ų40.461%0.61321%0.205SC*.PPolyproline II helixtrans-70.1132.2169-168.2179.8177.9-175.80109.1E332K314-E332 WeakPolarHBondContact CG-OE2 3.44Å
315Q93.9Very high93.8Very high2 Ų241.1 Ų41.11%0.00922%0.215CC..PPolyproline II helixtrans-92.6145.1176.5-66.6-63.5-35.100110.3E262 S311 V319 I320 E332E262-Q315 PolarHBondContact O-NE2 3.08Å; S311-Q315 PolarHBondContact OG-NE2 3.37Å; Q315-V319 HydrophobicContact CB-CB 4.21Å; Q315-V319 HydrophobicContact CB-CG1 4.04Å; Q315-V319 HydrophobicContact CG-CG1 4.29Å; Q315-I320 HydrophobicContact CB-CG1 4.37Å; Q315-E332 HydrophobicContact CB-CG 4.21Å; Q315-E332 HydrophobicContact CG-CG 4.12Å; Q315-E332 PolarHBondContact N-OE2 3.06Å
316P93.7Very high94Very high40 Ų4039 Ų3926%0.2620%0.203SC..PPolyproline II helixtrans-63.3151.2174.2-25.435.8000113.1Q265 L318 V319 I320Q265-P316 HydrophobicContact CB-CB 4.48Å; Q265-P316 HydrophobicContact CB-CG 3.87Å; P316-L318 PolarHBondContact O-N 3.38Å; P316-V319 HydrophobicContact CB-CG2 4.34Å; P316-V319 HydrophobicContact CG-CG2 4.37Å; P316-V319 WeakPolarHBondContact O-CA 3.44Å; P316-V319 VanDerWaalsContact O-CB 3.28Å; P316-V319 WeakPolarHBondContact O-CB 3.43Å; P316-V319 PolarHBondContact O-N 3.48Å; P316-I320 PolarHBondContact O-N 2.95Å
317D94Very high94.1Very high126 Ų12640.4 Ų40.467%0.67422%0.218SC*.Hα-helixtrans-55.6-31-177.9-61.7-18.6000113.1V319 I320 Y321D317-V319 VanDerWaalsContact C-N 3.34Å; D317-V319 PolarHBondContact O-N 3.24Å; D317-I320 PolarHBondContact O-N 2.86Å; D317-Y321 VanDerWaalsContact O-CB 3.3Å; D317-Y321 WeakPolarHBondContact O-CB 3.34Å; D317-Y321 PolarHBondContact O-N 3.12Å
318L93.5Very high94.2Very high49 Ų4938.3 Ų38.326%0.25721%0.209SC..Hα-helixtrans-63.6-39.9176.3-164.965.1000112.4I290 M291 T294 P316 Y322I290-L318 HydrophobicContact CG2-CD2 4.21Å; M291-L318 HydrophobicContact CB-CD2 4.21Å; M291-L318 HydrophobicContact CG-CD1 4.24Å; T294-L318 HydrophobicContact CG2-CG 4.4Å; P316-L318 PolarHBondContact O-N 3.38Å; L318-Y322 HydrophobicContact CD1-CD2 4.14Å; L318-Y322 HydrophobicContact CD1-CE2 3.66Å; L318-Y322 HydrophobicContact CG-CD2 4.07Å; L318-Y322 HydrophobicContact CG-CE2 3.96Å; L318-Y322 VanDerWaalsContact O-CD2 3.23Å; L318-Y322 WeakPolarHBondContact O-CD2 3.31Å; L318-Y322 PolarHBondContact O-N 2.82Å; L318-Y322 VanDerWaalsContact O-N 3.09Å
319V93.8Very high94.2Very high0 Ų038.5 Ų38.50%021%0.211CC..Hα-helixtrans-66.5-46.7176.1178.40000109.1I264 Q265 T294 M298 Q315 P316 D317 Y321 Y322 A323I264-V319 HydrophobicContact CB-CG1 4.12Å; I264-V319 HydrophobicContact CB-CG2 4.32Å; I264-V319 HydrophobicContact CD1-CG1 4.13Å; Q265-V319 HydrophobicContact CB-CG2 3.88Å; T294-V319 HydrophobicContact CG2-CB 4.47Å; T294-V319 HydrophobicContact CG2-CG2 3.89Å; M298-V319 HydrophobicContact CE-CB 4.21Å; M298-V319 HydrophobicContact CE-CG1 3.2Å; Q315-V319 HydrophobicContact CB-CB 4.21Å; Q315-V319 HydrophobicContact CB-CG1 4.04Å; Q315-V319 HydrophobicContact CG-CG1 4.29Å; P316-V319 HydrophobicContact CB-CG2 4.34Å; P316-V319 HydrophobicContact CG-CG2 4.37Å; P316-V319 WeakPolarHBondContact O-CA 3.44Å; P316-V319 VanDerWaalsContact O-CB 3.28Å; P316-V319 WeakPolarHBondContact O-CB 3.43Å; P316-V319 PolarHBondContact O-N 3.48Å; D317-V319 VanDerWaalsContact C-N 3.34Å; D317-V319 PolarHBondContact O-N 3.24Å; V319-Y321 PolarHBondContact O-N 3.48Å; V319-Y322 PolarHBondContact O-N 3.3Å; V319-A323 WeakPolarHBondContact O-CB 3.32Å; V319-A323 PolarHBondContact O-N 2.75Å
320I95.3Very high94.3Very high25 Ų2538.4 Ų38.413%0.12821%0.21CC..Hα-helixtrans-60.4-46.8179-60.9174.1000110.7V247 Q315 P316 D317 A323 G324 E332V247-I320 HydrophobicContact CB-CG2 4.19Å; V247-I320 HydrophobicContact CG2-CG2 3.24Å; Q315-I320 HydrophobicContact CB-CG1 4.37Å; P316-I320 PolarHBondContact O-N 2.95Å; D317-I320 PolarHBondContact O-N 2.86Å; I320-A323 PolarHBondContact O-N 2.83Å; I320-G324 PolarHBondContact O-N 3.21Å; I320-E332 WeakPolarHBondContact CD1-OE1 3.16Å; I320-E332 VanDerWaalsContact CG1-OE1 3.27Å; I320-E332 WeakPolarHBondContact CG1-OE1 3.33Å
321Y95.8Very high94.4Very high147 Ų14738.4 Ų38.458%0.57621%0.21SC*.Hα-helixtrans-59.5-52.9177.9175.4-100.9000111.9D317 V319 A323 G324 V325D317-Y321 VanDerWaalsContact O-CB 3.3Å; D317-Y321 WeakPolarHBondContact O-CB 3.34Å; D317-Y321 PolarHBondContact O-N 3.12Å; V319-Y321 PolarHBondContact O-N 3.48Å; Y321-A323 VanDerWaalsContact C-N 3.32Å; Y321-A323 PolarHBondContact O-N 3.33Å; Y321-G324 PolarHBondContact O-N 3.09Å; Y321-V325 HydrophobicContact CD1-CG2 4.47Å; Y321-V325 HydrophobicContact CE1-CG2 4.08Å; Y321-V325 HydrophobicContact CE2-CG2 4.29Å; Y321-V325 WeakPolarHBondContact O-CG2 3.43Å; Y321-V325 PolarHBondContact O-N 3.33Å
322Y95.2Very high94.5Very high27 Ų2739.1 Ų39.111%0.10621%0.213CC..Hα-helixtrans-70.3-27.9-179.6-76.6-59.2000113.2M291 T294 K295 L318 V319 N326M291-Y322 HydrophobicContact CG-CE2 3.81Å; M291-Y322 WeakPolarHBondContact CG-OH 3.07Å; M291-Y322 PolarHBondContact SD-OH 3.34Å; T294-Y322 HydrophobicContact CG2-CD2 4.14Å; K295-Y322 HydrophobicContact CB-CD1 4.1Å; K295-Y322 HydrophobicContact CB-CD2 4.24Å; K295-Y322 HydrophobicContact CB-CE1 3.95Å; K295-Y322 HydrophobicContact CB-CE2 4.07Å; K295-Y322 HydrophobicContact CB-CG 4.26Å; K295-Y322 HydrophobicContact CD-CE1 4.02Å; K295-Y322 HydrophobicContact CG-CD1 4.08Å; K295-Y322 HydrophobicContact CG-CE1 3.85Å; L318-Y322 HydrophobicContact CD1-CD2 4.14Å; L318-Y322 HydrophobicContact CD1-CE2 3.66Å; L318-Y322 HydrophobicContact CG-CD2 4.07Å; L318-Y322 HydrophobicContact CG-CE2 3.96Å; L318-Y322 VanDerWaalsContact O-CD2 3.23Å; L318-Y322 WeakPolarHBondContact O-CD2 3.31Å; L318-Y322 PolarHBondContact O-N 2.82Å; L318-Y322 VanDerWaalsContact O-N 3.09Å; V319-Y322 PolarHBondContact O-N 3.3Å; Y322-N326 WeakPolarHBondContact O-CB 3.21Å; Y322-N326 PolarHBondContact O-N 2.85Å; Y322-N326 VanDerWaalsContact O-N 3.13Å; Y322-N326 PolarHBondContact O-ND2 3.05Å
323A94.8Very high94.5Very high0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-61.5-47.617000000110.5M298 V319 I320 Y321 V325 N326 G327 I328 V330M298-A323 HydrophobicContact CE-CB 4.25Å; M298-A323 HydrophobicContact SD-CB 4.03Å; V319-A323 WeakPolarHBondContact O-CB 3.32Å; V319-A323 PolarHBondContact O-N 2.75Å; I320-A323 PolarHBondContact O-N 2.83Å; Y321-A323 VanDerWaalsContact C-N 3.32Å; Y321-A323 PolarHBondContact O-N 3.33Å; A323-V325 PolarHBondContact O-N 3.49Å; A323-N326 CarbonylContact O-C 3.47Å; A323-N326 PolarHBondContact O-N 3.31Å; A323-N326 VanDerWaalsContact O-N 3.11Å; A323-G327 PolarHBondContact O-N 3.36Å; A323-G327 VanDerWaalsContact O-N 3.12Å; A323-I328 CarbonylContact C-O 3.55Å; A323-I328 HydrophobicContact CB-CB 4.12Å; A323-I328 PolarHBondContact O-N 3.44Å; A323-V330 HydrophobicContact CB-CG2 3.4Å
324G94.9Very high94.6Very high26 Ų2638 Ų3827%0.26821%0.207SC..Hα-helixtrans-59.1-47.6176.500000113.6I320 Y321 N326 G327I320-G324 PolarHBondContact O-N 3.21Å; Y321-G324 PolarHBondContact O-N 3.09Å; G324-N326 PolarHBondContact O-N 3.16Å; G324-G327 PolarHBondContact O-N 3.43Å
325V94.7Very high94.5Very high87 Ų8733.1 Ų33.153%0.52719%0.19SC..Hα-helixtrans-59.7-30.5176.6174.20000112.2Y321 A323Y321-V325 HydrophobicContact CD1-CG2 4.47Å; Y321-V325 HydrophobicContact CE1-CG2 4.08Å; Y321-V325 HydrophobicContact CE2-CG2 4.29Å; Y321-V325 WeakPolarHBondContact O-CG2 3.43Å; Y321-V325 PolarHBondContact O-N 3.33Å; A323-V325 PolarHBondContact O-N 3.49Å
326N93.3Very high94.4Very high15 Ų1537 Ų378%0.0822%0.218CC..THydrogen-bonded Turntrans-91.54.8177.8-74.6-76.3000113.9M298 R302 Y322 A323 G324 I328M298-N326 WeakPolarHBondContact CB-ND2 3.35Å; R302-N326 HydrophobicContact CB-CB 4.28Å; Y322-N326 WeakPolarHBondContact O-CB 3.21Å; Y322-N326 PolarHBondContact O-N 2.85Å; Y322-N326 VanDerWaalsContact O-N 3.13Å; Y322-N326 PolarHBondContact O-ND2 3.05Å; A323-N326 CarbonylContact O-C 3.47Å; A323-N326 PolarHBondContact O-N 3.31Å; A323-N326 VanDerWaalsContact O-N 3.11Å; G324-N326 PolarHBondContact O-N 3.16Å; N326-I328 VanDerWaalsContact C-N 3.34Å; N326-I328 HydrophobicContact CB-CD1 4.22Å; N326-I328 HydrophobicContact CB-CG1 4.24Å
327G93.1Very high94.4Very high33 Ų3339.1 Ų39.134%0.3422%0.224SC..THydrogen-bonded Turntrans72.524.5179.500000114C249 A323 G324C249-G327 WeakPolarHBondContact CB-O 3.17Å; A323-G327 PolarHBondContact O-N 3.36Å; A323-G327 VanDerWaalsContact O-N 3.12Å; G324-G327 PolarHBondContact O-N 3.43Å
328I94.6Very high94.3Very high0 Ų034 Ų340%020%0.196CC..  trans-98.3121.1179.8-55.2177.1000108.8M298 L301 L309 A323 N326M298-I328 HydrophobicContact SD-CD1 4.12Å; L301-I328 HydrophobicContact CB-CD1 3.83Å; L301-I328 HydrophobicContact CD1-CD1 4.49Å; L309-I328 HydrophobicContact CB-CG2 3.98Å; A323-I328 CarbonylContact C-O 3.55Å; A323-I328 HydrophobicContact CB-CB 4.12Å; A323-I328 PolarHBondContact O-N 3.44Å; N326-I328 VanDerWaalsContact C-N 3.34Å; N326-I328 HydrophobicContact CB-CD1 4.22Å; N326-I328 HydrophobicContact CB-CG1 4.24Å
329S96.1Very high94.2Very high5 Ų532 Ų324%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-75.2139171.2-68.90000110.7V247 C249 K307 L308 L309V247-S329 CarbonylContact O-C 3.55Å; V247-S329 VanDerWaalsContact O-CA 3.32Å; V247-S329 WeakPolarHBondContact O-CA 3.2Å; C249-S329 PolarHBondContact N-OG 2.93Å; C249-S329 PolarHBondContact O-OG 3.25Å; K307-S329 PolarHBondContact O-N 3.22Å; L308-S329 CarbonylContact C-O 3.59Å; L308-S329 WeakPolarHBondContact CA-O 3.44Å; L309-S329 PolarHBondContact N-O 2.93Å
330V96.2Very high94.1Very high0 Ų034.1 Ų34.10%020%0.201CC..EExtended strand (participates in β ladder)trans-124.2130.2-175.8-174.20000110.8S246 V247 L309 A323 E332S246-V330 PolarHBondContact N-O 3.26Å; V247-V330 PolarHBondContact O-N 3.17Å; L309-V330 HydrophobicContact CB-CG2 4.3Å; L309-V330 HydrophobicContact CD2-CG1 4.13Å; L309-V330 HydrophobicContact CD2-CG2 4.18Å; L309-V330 WeakPolarHBondContact O-CA 3.34Å; A323-V330 HydrophobicContact CB-CG2 3.4Å; V330-E332 HydrophobicContact CG1-CG 3.89Å
331V96.1Very high93.9Very high0 Ų033.1 Ų33.10%020%0.196CC..EExtended strand (participates in β ladder)trans-124.5125.4172-171.60000108.4K243 F245 L308 L309 L310 S311 L334 V382K243-V331 HydrophobicContact CB-CG1 3.98Å; F245-V331 HydrophobicContact CD1-CG2 3.63Å; F245-V331 HydrophobicContact CE1-CG2 3.65Å; F245-V331 HydrophobicContact CG-CG2 4.46Å; L308-V331 HydrophobicContact CD1-CG2 4.3Å; L309-V331 PolarHBondContact O-N 3.28Å; L310-V331 HydrophobicContact CD2-CB 3.79Å; L310-V331 HydrophobicContact CD2-CG2 3.92Å; S311-V331 PolarHBondContact N-O 2.97Å; V331-L334 HydrophobicContact CG1-CD2 4.04Å; V331-V382 HydrophobicContact CG1-CG2 4.08Å; V331-V382 HydrophobicContact CG2-CG1 4.2Å; V331-V382 HydrophobicContact CG2-CG2 3.84Å
332E95.3Very high93.6Very high14 Ų1426.1 Ų26.17%0.06517%0.169CC..  trans-117.1167.4-172.2-70.1167.6-137.100113S246 S311 K314 Q315 I320 V330 L334S246-E332 WeakPolarHBondContact CB-OE1 3.37Å; S246-E332 PolarHBondContact OG-OE1 3.46Å; S311-E332 CarbonylContact O-C 3.59Å; K314-E332 WeakPolarHBondContact CG-OE2 3.44Å; Q315-E332 HydrophobicContact CB-CG 4.21Å; Q315-E332 HydrophobicContact CG-CG 4.12Å; Q315-E332 PolarHBondContact N-OE2 3.06Å; I320-E332 WeakPolarHBondContact CD1-OE1 3.16Å; I320-E332 VanDerWaalsContact CG1-OE1 3.27Å; I320-E332 WeakPolarHBondContact CG1-OE1 3.33Å; V330-E332 HydrophobicContact CG1-CG 3.89Å; E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.14Å
333C94Very high93.3Very high56 Ų5629.7 Ų29.738%0.37818%0.182SC..  trans56.939.2173.5-590000113.3K243 S311 V313K243-C333 VanDerWaalsContact CE-O 3.23Å; K243-C333 WeakPolarHBondContact CE-O 3.35Å; K243-C333 PolarHBondContact NZ-O 3.46Å; S311-C333 PolarHBondContact O-N 3.06Å; V313-C333 PolarHBondContact O-N 3.1Å
334L94.1Very high92.9Very high5 Ų534.7 Ų34.73%0.02620%0.201CC..  trans-68.7139.4171-61.9175000110.4L241 K243 L310 S311 S312 V331 E332 E338 V339L241-L334 HydrophobicContact CD1-CD2 3.95Å; K243-L334 HydrophobicContact CG-CD2 4.03Å; L310-L334 HydrophobicContact CB-CD1 3.74Å; L310-L334 HydrophobicContact CD1-CD1 4.46Å; L310-L334 HydrophobicContact CD2-CD1 4.28Å; L310-L334 HydrophobicContact CG-CD1 4.38Å; S311-L334 PolarHBondContact O-N 3.21Å; S312-L334 WeakPolarHBondContact CA-O 3.17Å; V331-L334 HydrophobicContact CG1-CD2 4.04Å; E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.14Å; L334-E338 WeakPolarHBondContact CA-OE2 3.47Å; L334-E338 HydrophobicContact CB-CB 4.42Å; L334-V339 HydrophobicContact CB-CG2 3.85Å; L334-V339 HydrophobicContact CD1-CG2 4.48Å
335S93.1Very high92.5Very high38 Ų3833.4 Ų33.427%0.26619%0.188SC..  trans-68.2161.9177.688.40000111.6E337 E338 V339S335-E337 WeakPolarHBondContact CB-OE2 3.47Å; S335-E337 PolarHBondContact O-N 2.9Å; S335-E337 PolarHBondContact OG-N 3.39Å; S335-E337 PolarHBondContact OG-OE2 2.99Å; S335-E338 PolarHBondContact N-OE2 3.28Å; S335-E338 PolarHBondContact O-N 2.86Å; S335-E338 PolarHBondContact OG-N 2.83Å; S335-E338 VanDerWaalsContact OG-N 3.09Å; S335-V339 WeakPolarHBondContact O-CG2 3.45Å; S335-V339 PolarHBondContact O-N 3.11Å
336S91.7Very high92.1Very high84 Ų8430 Ų3059%0.58717%0.166SC*.Hα-helixtrans-57.2-36.4173.630.10000112S340S336-S340 WeakPolarHBondContact O-CB 3.42Å; S336-S340 PolarHBondContact O-N 3.37Å
337E92.4Very high91.3Very high84 Ų8432.1 Ų32.139%0.39319%0.191SC..Hα-helixtrans-71.3-45.6-179.5-56.567.8-139.200110.7Y217 E220 S335 V339 S340 L341Y217-E337 HydrophobicContact CD1-CB 4.36Å; Y217-E337 HydrophobicContact CE1-CB 4.39Å; Y217-E337 WeakPolarHBondContact CE1-O 3.28Å; E220-E337 HydrophobicContact CG-CB 4.1Å; E220-E337 VanDerWaalsContact OE1-CB 3.27Å; E220-E337 WeakPolarHBondContact OE1-CB 3.42Å; S335-E337 WeakPolarHBondContact CB-OE2 3.47Å; S335-E337 PolarHBondContact O-N 2.9Å; S335-E337 PolarHBondContact OG-N 3.39Å; S335-E337 PolarHBondContact OG-OE2 2.99Å; E337-V339 VanDerWaalsContact C-N 3.35Å; E337-V339 PolarHBondContact O-N 3.08Å; E337-S340 PolarHBondContact O-N 2.99Å; E337-L341 WeakPolarHBondContact O-CB 3.5Å; E337-L341 PolarHBondContact O-N 3.47Å
338E92.5Very high90.4Very high18 Ų1831.7 Ų31.78%0.08418%0.181CC..Hα-helixtrans-58.9-46.6174.7-71.9177.3133.600110.9E220 L334 S335 L341 I342E220-E338 HydrophobicContact CG-CG 3.87Å; L334-E338 WeakPolarHBondContact CA-OE2 3.47Å; L334-E338 HydrophobicContact CB-CB 4.42Å; S335-E338 PolarHBondContact N-OE2 3.28Å; S335-E338 PolarHBondContact O-N 2.86Å; S335-E338 PolarHBondContact OG-N 2.83Å; S335-E338 VanDerWaalsContact OG-N 3.09Å; E338-L341 PolarHBondContact O-N 2.95Å; E338-I342 WeakPolarHBondContact O-CD1 3.37Å; E338-I342 WeakPolarHBondContact O-CG1 3.42Å; E338-I342 PolarHBondContact O-N 3.14Å
339V91.4Very high89.2Confident9 Ų934 Ų346%0.05520%0.198CC..Hα-helixtrans-63.4-44.5177.3172.20000110.9I259 L334 S335 E337 I342 R343I259-V339 HydrophobicContact CG2-CG1 4.01Å; L334-V339 HydrophobicContact CB-CG2 3.85Å; L334-V339 HydrophobicContact CD1-CG2 4.48Å; S335-V339 WeakPolarHBondContact O-CG2 3.45Å; S335-V339 PolarHBondContact O-N 3.11Å; E337-V339 VanDerWaalsContact C-N 3.35Å; E337-V339 PolarHBondContact O-N 3.08Å; V339-I342 PolarHBondContact O-N 3Å; V339-R343 HydrophobicContact CG1-CG 4.34Å; V339-R343 WeakPolarHBondContact O-CB 3.5Å; V339-R343 WeakPolarHBondContact O-CG 3.2Å; V339-R343 PolarHBondContact O-N 3.38Å
340S91.4Very high87.9Confident44 Ų4435 Ų3531%0.30820%0.204SC..Hα-helixtrans-63.6-41.6178.8-172.10000112.2Y217 S336 E337 R343 R344Y217-S340 WeakPolarHBondContact OH-CB 3.35Å; Y217-S340 PolarHBondContact OH-OG 3.44Å; S336-S340 WeakPolarHBondContact O-CB 3.42Å; S336-S340 PolarHBondContact O-N 3.37Å; E337-S340 PolarHBondContact O-N 2.99Å; S340-R343 PolarHBondContact O-N 3.25Å; S340-R344 WeakPolarHBondContact O-CB 3.25Å; S340-R344 PolarHBondContact O-N 2.92Å
341L90.9Very high86.5Confident3 Ų336 Ų362%0.01621%0.208CC..Hα-helixtrans-59.8-50.5175175.960.7000111.3L213 Y217 E220 L221 L239 E337 E338 R343 R344 I345L213-L341 HydrophobicContact CD2-CD1 3.99Å; Y217-L341 HydrophobicContact CD1-CB 3.76Å; Y217-L341 HydrophobicContact CD1-CD1 4.47Å; Y217-L341 HydrophobicContact CD2-CD1 3.99Å; Y217-L341 HydrophobicContact CE1-CB 4.12Å; Y217-L341 HydrophobicContact CG-CB 4.01Å; Y217-L341 HydrophobicContact CG-CD1 3.85Å; Y217-L341 HydrophobicContact CG-CG 4.36Å; E220-L341 HydrophobicContact CB-CD2 3.81Å; L221-L341 HydrophobicContact CD2-CD2 3.93Å; L221-L341 HydrophobicContact CG-CD2 4.17Å; L239-L341 HydrophobicContact CD1-CD2 4.39Å; L239-L341 HydrophobicContact CD2-CD2 3.96Å; E337-L341 WeakPolarHBondContact O-CB 3.5Å; E337-L341 PolarHBondContact O-N 3.47Å; E338-L341 PolarHBondContact O-N 2.95Å; L341-R343 VanDerWaalsContact C-N 3.31Å; L341-R343 PolarHBondContact O-N 3.16Å; L341-R344 PolarHBondContact O-N 3.1Å; L341-R344 VanDerWaalsContact O-N 3.17Å; L341-I345 HydrophobicContact CD1-CD1 3.7Å; L341-I345 HydrophobicContact CD1-CG1 4.19Å; L341-I345 HydrophobicContact CG-CD1 3.8Å; L341-I345 VanDerWaalsContact O-CG1 3.32Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 2.95Å
342I91.1Very high84.8Confident1 Ų140.3 Ų40.31%0.00524%0.235CC..Hα-helixtrans-60.8-43.1179.4-66.9168.9000110.3L239 L241 M257 I259 L310 E338 V339 R344 I345 I346 L384 L386L239-I342 HydrophobicContact CD1-CG1 3.89Å; L241-I342 HydrophobicContact CD2-CD1 4.23Å; M257-I342 HydrophobicContact CE-CG2 3.56Å; I259-I342 HydrophobicContact CD1-CB 4.45Å; I259-I342 HydrophobicContact CD1-CG2 3.7Å; L310-I342 HydrophobicContact CD1-CD1 3.96Å; L310-I342 HydrophobicContact CD1-CG2 4.49Å; E338-I342 WeakPolarHBondContact O-CD1 3.37Å; E338-I342 WeakPolarHBondContact O-CG1 3.42Å; E338-I342 PolarHBondContact O-N 3.14Å; V339-I342 PolarHBondContact O-N 3Å; I342-R344 PolarHBondContact O-N 3.09Å; I342-I345 PolarHBondContact O-N 3.26Å; I342-I346 HydrophobicContact CG2-CD1 3.67Å; I342-I346 WeakPolarHBondContact O-CG1 3.4Å; I342-I346 PolarHBondContact O-N 3.13Å; I342-I346 VanDerWaalsContact O-N 3.07Å; I342-L384 HydrophobicContact CD1-CD2 4.38Å; I342-L386 HydrophobicContact CG1-CD1 4.45Å; I342-L386 HydrophobicContact CG2-CD1 4.31Å
343R88.8Confident83.1Confident101 Ų10140.6 Ų40.638%0.38124%0.238SC..Hα-helixtrans-61.9-41.2175.7-72.3174.866.2-172-1.9112.1I259 V339 S340 L341 G347 L348I259-R343 HydrophobicContact CD1-CG 4.08Å; V339-R343 HydrophobicContact CG1-CG 4.34Å; V339-R343 WeakPolarHBondContact O-CB 3.5Å; V339-R343 WeakPolarHBondContact O-CG 3.2Å; V339-R343 PolarHBondContact O-N 3.38Å; S340-R343 PolarHBondContact O-N 3.25Å; L341-R343 VanDerWaalsContact C-N 3.31Å; L341-R343 PolarHBondContact O-N 3.16Å; R343-G347 WeakPolarHBondContact O-CA 3.41Å; R343-G347 PolarHBondContact O-N 3.06Å; R343-L348 WeakPolarHBondContact CG-O 3.37Å; R343-L348 PolarHBondContact NE-O 2.91Å
344R86.5Confident81.3Confident105 Ų10540.1 Ų40.140%0.39623%0.234SC..Hα-helixtrans-69.4-33.1178.7-169.7165.7179.2158.9-6.3112.6L213 S340 L341 I342L213-R344 HydrophobicContact CD1-CG 3.83Å; S340-R344 WeakPolarHBondContact O-CB 3.25Å; S340-R344 PolarHBondContact O-N 2.92Å; L341-R344 PolarHBondContact O-N 3.1Å; L341-R344 VanDerWaalsContact O-N 3.17Å; I342-R344 PolarHBondContact O-N 3.09Å
345I86.3Confident79.3Confident0 Ų048.6 Ų48.60%027%0.273CS..Hα-helixtrans-71.7-44.6178-69.6163.5000111.4L239 L341 I342 L386 G388 T389 F392 P394L239-I345 HydrophobicContact CD1-CD1 3.86Å; L239-I345 HydrophobicContact CD2-CD1 4.19Å; L239-I345 HydrophobicContact CG-CD1 4.35Å; L341-I345 HydrophobicContact CD1-CD1 3.7Å; L341-I345 HydrophobicContact CD1-CG1 4.19Å; L341-I345 HydrophobicContact CG-CD1 3.8Å; L341-I345 VanDerWaalsContact O-CG1 3.32Å; L341-I345 WeakPolarHBondContact O-CG1 3.3Å; L341-I345 PolarHBondContact O-N 2.95Å; I342-I345 PolarHBondContact O-N 3.26Å; I345-L386 HydrophobicContact CB-CD1 4.19Å; I345-L386 HydrophobicContact CD1-CD1 4.16Å; I345-L386 HydrophobicContact CG2-CB 4Å; I345-L386 HydrophobicContact CG2-CD1 3.85Å; I345-G388 CarbonylContact O-C 3.6Å; I345-G388 VanDerWaalsContact O-CA 3.28Å; I345-G388 WeakPolarHBondContact O-CA 3.41Å; I345-T389 PolarHBondContact O-N 3.4Å; I345-T389 PolarHBondContact O-OG1 3.4Å; I345-F392 HydrophobicContact CD1-CD1 4.41Å; I345-F392 HydrophobicContact CD1-CE1 4.2Å; I345-F392 HydrophobicContact CG1-CD1 4.18Å; I345-F392 HydrophobicContact CG1-CE1 4.45Å; I345-P394 HydrophobicContact CD1-CB 4.27Å; I345-P394 HydrophobicContact CG2-CG 4.41Å
346I84.9Confident77Confident15 Ų1550.3 Ų50.38%0.07729%0.29CS..Hα-helixtrans-95-27-171.1-54.1170.6000111.9M257 I342 L348 A366 L386 T389M257-I346 HydrophobicContact CE-CD1 3.16Å; M257-I346 HydrophobicContact SD-CD1 4.07Å; I342-I346 HydrophobicContact CG2-CD1 3.67Å; I342-I346 WeakPolarHBondContact O-CG1 3.4Å; I342-I346 PolarHBondContact O-N 3.13Å; I342-I346 VanDerWaalsContact O-N 3.07Å; I346-L348 HydrophobicContact CB-CG 4.44Å; I346-L348 HydrophobicContact CG2-CD1 4.01Å; I346-L348 HydrophobicContact CG2-CG 3.77Å; I346-A366 HydrophobicContact CG2-CB 3.34Å; I346-L386 HydrophobicContact CD1-CD1 3.96Å; I346-L386 HydrophobicContact CD1-CD2 3.49Å; I346-L386 VanDerWaalsContact CD1-CD2 3.49Å; I346-L386 HydrophobicContact CD1-CG 4.22Å; I346-L386 HydrophobicContact CG1-CB 4.41Å; I346-L386 HydrophobicContact CG1-CD1 4.03Å; I346-L386 HydrophobicContact CG1-CD2 4.14Å; I346-L386 HydrophobicContact CG1-CG 4.43Å; I346-T389 WeakPolarHBondContact O-CG2 3.46Å; I346-T389 PolarHBondContact O-OG1 2.84Å
347G76.6Confident75Confident59 Ų5951.6 Ų51.661%0.60829%0.285SS*.  trans81.920.4-173.800000114.2R343R343-G347 WeakPolarHBondContact O-CA 3.41Å; R343-G347 PolarHBondContact O-N 3.06Å
348L73.9Confident72.7Confident24 Ų2452.5 Ų52.513%0.12630%0.3CS..PPolyproline II helixtrans-86.8145.3179.9-79179.9000113.4M257 R343 I346 N364 A366M257-L348 HydrophobicContact CE-CD1 4.04Å; R343-L348 WeakPolarHBondContact CG-O 3.37Å; R343-L348 PolarHBondContact NE-O 2.91Å; I346-L348 HydrophobicContact CB-CG 4.44Å; I346-L348 HydrophobicContact CG2-CD1 4.01Å; I346-L348 HydrophobicContact CG2-CG 3.77Å; L348-N364 HydrophobicContact CD2-CB 4.25Å; L348-A366 HydrophobicContact CD1-CB 3.2Å; L348-A366 HydrophobicContact CD2-CB 4.07Å; L348-A366 HydrophobicContact CG-CB 3.73Å
349S70.9Confident70.2Confident49 Ų4960.3 Ų60.334%0.34334%0.337SS..PPolyproline II helixtrans-89.1151.3160.552.60000111N364S349-N364 VanDerWaalsContact OG-CG 3.25Å; S349-N364 PolarHBondContact OG-ND2 3.05Å
350P68.9Low67.9Low26 Ų2661.6 Ų61.617%0.16935%0.346CS..PPolyproline II helixtrans-64.5145.2177.6-14.829.4000110.9T261T261-P350 HydrophobicContact CG2-CB 3.81Å; T261-P350 HydrophobicContact CG2-CG 4.07Å
351F65.1Low65.9Low20 Ų2067.5 Ų67.59%0.08837%0.369CS..BIsolated β-bridgetrans-73127.3167.4175.7-99.9000109.8V258 I259 V260 P353 I362V258-F351 HydrophobicContact CG1-CB 3.37Å; V258-F351 HydrophobicContact CG1-CD1 4.16Å; V258-F351 HydrophobicContact CG1-CG 3.78Å; I259-F351 WeakPolarHBondContact O-CB 3.36Å; I259-F351 PolarHBondContact O-N 3.39Å; V260-F351 HydrophobicContact CG1-CD1 4.45Å; V260-F351 HydrophobicContact CG2-CB 4.29Å; V260-F351 HydrophobicContact CG2-CD1 3.84Å; F351-P353 HydrophobicContact CE1-CB 4.4Å; F351-P353 HydrophobicContact CE1-CG 4.48Å; F351-I362 HydrophobicContact CD2-CG2 4.15Å; F351-I362 HydrophobicContact CE2-CD1 4.34Å; F351-I362 HydrophobicContact CE2-CG1 3.93Å; F351-I362 HydrophobicContact CE2-CG2 4.3Å
352V61.9Low64.2Low92 Ų9268.2 Ų68.256%0.55837%0.372SS*.PPolyproline II helixtrans-100.7123170.8-178.50000106.9
353P59Low62.4Low20 Ų2072.6 Ų72.613%0.1340%0.403CS..PPolyproline II helixtrans-58.5133.2175.7-17.828.9000110.2V260 F351 Q355V260-P353 HydrophobicContact CG1-CG 4.25Å; F351-P353 HydrophobicContact CE1-CB 4.4Å; F351-P353 HydrophobicContact CE1-CG 4.48Å; P353-Q355 PolarHBondContact O-N 3.06Å
354P55.8Low61.6Low46 Ų4670.3 Ų70.330%0.29940%0.398SS..PPolyproline II helixtrans-68.1126.7-179.724.8-32.1000111.1A356P354-A356 VanDerWaalsContact C-N 3.32Å
355Q52.9Low61.4Low183 Ų18366.9 Ų66.986%0.85539%0.389SS*.SBendtrans-75.8-19.7173-65.8-174.4-3.600112.7P353P353-Q355 PolarHBondContact O-N 3.06Å
356A44.8Very low61.4Low74 Ų7467.4 Ų67.461%0.61239%0.394SS*.SBendtrans-141.1129.5174.900000111.3P354 S358P354-A356 VanDerWaalsContact C-N 3.32Å; A356-S358 PolarHBondContact O-N 3.41Å
357F48.5Very low61.6Low110 Ų11070 Ų7048%0.48241%0.407SS..  trans-82.489.7175.1-92.7-93.6000109.7I297I297-F357 HydrophobicContact CG1-CE2 4.39Å; I297-F357 HydrophobicContact CG1-CZ 4.17Å
358S44.5Very low62.2Low103 Ų10367.2 Ų67.272%0.7238%0.378SS*.SBendtrans-122.4-18.2160.948.10000114.4A356A356-S358 PolarHBondContact O-N 3.41Å
359Q40.8Very low62.9Low183 Ų18372.6 Ų72.686%0.85540%0.401SS*.  trans-170.8105.7163.9-101.9146.827.200108.6E361Q359-E361 PolarHBondContact O-N 3.09Å
360C43.5Very low63.9Low35 Ų3573.2 Ų73.224%0.23640%0.398CS..  trans-89.482.2178.4-166.20000108.8H300 I362H300-C360 PolarHBondContact NE2-O 3.08Å; H300-C360 PolarHBondContact NE2-SG 3.42Å; C360-I362 PolarHBondContact O-N 3.46Å
361E47.6Very low65.1Low168 Ų16872.7 Ų72.779%0.78539%0.394SS*.  trans-81.3100.1162.8-76.2-172.4171.100108Q359 S363Q359-E361 PolarHBondContact O-N 3.09Å; E361-S363 PolarHBondContact O-N 3.27Å
362I56.7Low66.4Low19 Ų1976.5 Ų76.510%0.09741%0.411CS..  trans-72.981.6166.4-53.3-179.9000106.8H300 L301 Q304 F351 C360 N364 T365H300-I362 VanDerWaalsContact CD2-CD1 3.49Å; H300-I362 WeakPolarHBondContact CD2-CD1 3.37Å; L301-I362 HydrophobicContact CD2-CD1 3.64Å; Q304-I362 HydrophobicContact CG-CD1 4.3Å; F351-I362 HydrophobicContact CD2-CG2 4.15Å; F351-I362 HydrophobicContact CE2-CD1 4.34Å; F351-I362 HydrophobicContact CE2-CG1 3.93Å; F351-I362 HydrophobicContact CE2-CG2 4.3Å; C360-I362 PolarHBondContact O-N 3.46Å; I362-N364 PolarHBondContact O-N 3.37Å; I362-T365 HydrophobicContact CG2-CG2 3.67Å
363S53.8Low68Low92 Ų9274.9 Ų74.964%0.64340%0.402SS*.  trans-73.5-15.8-179.241.70000113.2E361E361-S363 PolarHBondContact O-N 3.27Å
364N71.1Confident69.7Low54 Ų5475.5 Ų75.529%0.28940%0.404SS..  trans-116.560.2-168.7-58.8-37.4000113.3L348 S349 I362L348-N364 HydrophobicContact CD2-CB 4.25Å; S349-N364 VanDerWaalsContact OG-CG 3.25Å; S349-N364 PolarHBondContact OG-ND2 3.05Å; I362-N364 PolarHBondContact O-N 3.37Å
365T83.2Confident71.5Confident32 Ų3278.2 Ų78.220%0.19642%0.415CS..  trans-99.7143.4165.467.70000110.3V258 V306 I362V258-T365 HydrophobicContact CG2-CG2 3.93Å; V306-T365 HydrophobicContact CG2-CG2 3.9Å; I362-T365 HydrophobicContact CG2-CG2 3.67Å
366A85.5Confident73.4Confident12 Ų1269.9 Ų69.910%0.09938%0.376CS..EExtended strand (participates in β ladder)trans-121.8151.1170.700000112.8R256 M257 I346 L348R256-A366 CarbonylContact C-O 3.37Å; R256-A366 VanDerWaalsContact CA-O 3.31Å; R256-A366 WeakPolarHBondContact CA-O 3.37Å; M257-A366 PolarHBondContact N-O 3.01Å; M257-A366 PolarHBondContact O-N 2.86Å; I346-A366 HydrophobicContact CG2-CB 3.34Å; L348-A366 HydrophobicContact CD1-CB 3.2Å; L348-A366 HydrophobicContact CD2-CB 4.07Å; L348-A366 HydrophobicContact CG-CB 3.73Å
367L88.2Confident75.5Confident68 Ų6873.5 Ų73.536%0.35637%0.374SS..EExtended strand (participates in β ladder)trans-81.3135.4175.3-155.6119.9000110.8D254 I387D254-L367 HydrophobicContact CB-CD1 3.96Å; L367-I387 HydrophobicContact CB-CD1 4.31Å; L367-I387 HydrophobicContact CD2-CD1 3.35Å; L367-I387 HydrophobicContact CG-CD1 4.42Å
368V90.1Very high77.2Confident1 Ų173.2 Ų73.21%0.00639%0.386CS..EExtended strand (participates in β ladder)trans-117.8135178.8-177.50000107.7I255 M257 F370 L384 G385 L386I255-V368 HydrophobicContact CB-CB 4.32Å; I255-V368 HydrophobicContact CG2-CB 4.21Å; I255-V368 PolarHBondContact O-N 2.72Å; M257-V368 HydrophobicContact CB-CG2 3.7Å; M257-V368 HydrophobicContact CG-CG2 3.63Å; M257-V368 HydrophobicContact SD-CG2 3.48Å; M257-V368 WeakPolarHBondContact SD-CG2 3.4Å; V368-F370 VanDerWaalsContact CG1-O 3.28Å; V368-F370 WeakPolarHBondContact CG1-O 3.36Å; V368-L384 HydrophobicContact CG1-CD1 3.53Å; V368-L384 HydrophobicContact CG1-CG 4.34Å; V368-G385 WeakPolarHBondContact CG1-O 3.47Å; V368-L386 HydrophobicContact CG1-CD2 4.41Å; V368-L386 HydrophobicContact CG2-CD2 4.36Å
369K89.4Confident79.5Confident138 Ų13874.8 Ų74.860%0.638%0.379SS*.EExtended strand (participates in β ladder)trans-65.4-42.9179.4-62.3-171.6177.7179.80112G385 I387K369-G385 WeakPolarHBondContact CB-O 2.85Å; K369-G385 PolarHBondContact N-O 3.4Å; K369-I387 HydrophobicContact CD-CG1 4.24Å; K369-I387 HydrophobicContact CG-CD1 4.05Å; K369-I387 HydrophobicContact CG-CG1 3.46Å; K369-I387 VanDerWaalsContact CG-CG1 3.46Å
370F91.4Very high82Confident62 Ų6273.3 Ų73.327%0.27237%0.366SS..EExtended strand (participates in β ladder)trans-160.615317760.9-98000110.6V368 K372 H383 G385V368-F370 VanDerWaalsContact CG1-O 3.28Å; V368-F370 WeakPolarHBondContact CG1-O 3.36Å; F370-K372 HydrophobicContact CD2-CG 4.36Å; F370-H383 AromaticContact CE2-CD2 3.64Å; F370-H383 AromaticContact CE2-CE1 3.27Å; F370-H383 WeakPolarHBondContact CE2-CE1 3.22Å; F370-H383 AromaticContact CE2-CG 3.67Å; F370-H383 AromaticContact CE2-ND1 3.46Å; F370-H383 WeakPolarHBondContact CE2-ND1 3.3Å; F370-H383 AromaticContact CE2-NE2 3.37Å; F370-H383 WeakPolarHBondContact CE2-NE2 3.47Å; F370-H383 AromaticContact CZ-CE1 3.47Å; F370-H383 VanDerWaalsContact CZ-CE1 3.47Å; F370-H383 WeakPolarHBondContact CZ-CE1 2.85Å; F370-H383 AromaticContact CZ-NE2 3.47Å; F370-H383 WeakPolarHBondContact CZ-NE2 3.29Å; F370-G385 VanDerWaalsContact CE2-N 3.3Å; F370-G385 VanDerWaalsContact CZ-CA 3.43Å; F370-G385 PolarHBondContact O-N 3.22Å
371C92.7Very high84.4Confident15 Ų1572.2 Ų72.210%0.10136%0.357CS..EExtended strand (participates in β ladder)trans-140.8117.7169.2-171.70000108.8F245 I255 L308 H383 L384F245-C371 VanDerWaalsContact CZ-SG 3.56Å; I255-C371 HydrophobicContact CD1-CB 4.39Å; L308-C371 HydrophobicContact CD2-CB 4.02Å; C371-H383 WeakPolarHBondContact CA-O 3.35Å; C371-L384 HydrophobicContact CB-CD1 4.16Å
372K93.9Very high86.7Confident100 Ų10064.2 Ų64.244%0.43532%0.32SS..EExtended strand (participates in β ladder)trans-148.3154-174.163.5-176.3178.4-177.90112.5F370 H383F370-K372 HydrophobicContact CD2-CG 4.36Å; K372-H383 WeakPolarHBondContact CE-ND1 3.3Å; K372-H383 HydrophobicContact CG-CB 4.11Å; K372-H383 PolarHBondContact N-O 3.39Å; K372-H383 WeakPolarHBondContact O-CB 3.44Å; K372-H383 PolarHBondContact O-N 3.34Å
373P94.9Very high88.6Confident58 Ų5864 Ų6438%0.37732%0.318SS..EExtended strand (participates in β ladder)trans-66.4140.317127.7-34.8000110F245 Y248F245-P373 HydrophobicContact CD2-CB 4.39Å; F245-P373 HydrophobicContact CE2-CB 4.22Å; Y248-P373 HydrophobicContact CD1-CG 4.32Å; Y248-P373 HydrophobicContact CE1-CG 3.96Å; Y248-P373 WeakPolarHBondContact OH-CD 3.13Å
374L95Very high90.5Very high32 Ų3259.6 Ų59.617%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-127.1126.4174.917568.3000108.8I236 V240 L376 Y381 H383I236-L374 HydrophobicContact CD1-CD2 3.85Å; V240-L374 HydrophobicContact CG1-CD2 4Å; V240-L374 HydrophobicContact CG2-CD2 3.94Å; L374-L376 HydrophobicContact CD1-CD2 4.35Å; L374-L376 HydrophobicContact CD2-CD1 4.35Å; L374-L376 HydrophobicContact CD2-CD2 4.23Å; L374-L376 HydrophobicContact CD2-CG 4.22Å; L374-L376 HydrophobicContact CG-CD2 4.21Å; L374-L376 HydrophobicContact CG-CG 4.2Å; L374-Y381 PolarHBondContact N-O 2.95Å; L374-Y381 PolarHBondContact O-N 3.35Å; L374-H383 HydrophobicContact CB-CB 3.79Å; L374-H383 HydrophobicContact CD2-CB 4.26Å
375I93.8Very high91.4Very high103 Ų10357.2 Ų57.253%0.52828%0.275SS..EExtended strand (participates in β ladder)trans-104.1117.7177.4-53.5-177.6000108R377 K379 R380I375-R377 WeakPolarHBondContact CG2-O 3.1Å; I375-K379 WeakPolarHBondContact CA-O 3.27Å; I375-R380 HydrophobicContact CG1-CG 4.25Å
376L91.7Very high91.6Very high8 Ų855.9 Ų55.94%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-109.4106.5169.6-58.2175.9000107.6V223 V225 R234 I236 L374 S378 K379 Y381 V398V223-L376 HydrophobicContact CG1-CD1 4.05Å; V225-L376 HydrophobicContact CG2-CB 3.99Å; V225-L376 HydrophobicContact CG2-CD1 4.04Å; R234-L376 VanDerWaalsContact NH2-CD2 3.29Å; I236-L376 HydrophobicContact CD1-CD2 4.48Å; L374-L376 HydrophobicContact CD1-CD2 4.35Å; L374-L376 HydrophobicContact CD2-CD1 4.35Å; L374-L376 HydrophobicContact CD2-CD2 4.23Å; L374-L376 HydrophobicContact CD2-CG 4.22Å; L374-L376 HydrophobicContact CG-CD2 4.21Å; L374-L376 HydrophobicContact CG-CG 4.2Å; L376-S378 PolarHBondContact O-N 3.17Å; L376-K379 PolarHBondContact N-O 2.81Å; L376-K379 PolarHBondContact O-N 3.35Å; L376-K379 VanDerWaalsContact O-N 3.12Å; L376-Y381 HydrophobicContact CB-CD2 4.03Å; L376-Y381 HydrophobicContact CB-CE2 3.73Å; L376-Y381 HydrophobicContact CD1-CD2 4.04Å; L376-Y381 HydrophobicContact CD1-CE2 4.03Å; L376-Y381 HydrophobicContact CG-CD2 4Å; L376-Y381 HydrophobicContact CG-CE2 4.12Å; L376-V398 HydrophobicContact CD1-CG1 4.09Å; L376-V398 HydrophobicContact CD1-CG2 4.06Å
377R88.6Confident91.5Very high151 Ų15158.8 Ų58.857%0.5728%0.28SS*.THydrogen-bonded Turntrans58.2-100.8-171.9-167.7-177.6-177.2-155.7-2.5111.6V225 T226 I375V225-R377 HydrophobicContact CG1-CB 4.19Å; T226-R377 VanDerWaalsContact O-CD 3.29Å; T226-R377 WeakPolarHBondContact O-CD 3.48Å; T226-R377 PolarHBondContact O-NH1 3.01Å; I375-R377 WeakPolarHBondContact CG2-O 3.1Å
378S85.8Confident90.7Very high103 Ų10357 Ų5772%0.7228%0.279SS*.THydrogen-bonded Turntrans-113.8-4.3-178.257.90000113.6L376L376-S378 PolarHBondContact O-N 3.17Å
379K90.9Very high89.8Confident136 Ų13662 Ų6259%0.59131%0.309SS*.EExtended strand (participates in β ladder)trans-100.3138.7179.5-73.4-173.8177.7-172.70110.3I375 L376 Y381I375-K379 WeakPolarHBondContact CA-O 3.27Å; L376-K379 PolarHBondContact N-O 2.81Å; L376-K379 PolarHBondContact O-N 3.35Å; L376-K379 VanDerWaalsContact O-N 3.12Å; K379-Y381 HydrophobicContact CB-CD2 4.3Å; K379-Y381 HydrophobicContact CB-CE2 3.42Å; K379-Y381 VanDerWaalsContact CB-CE2 3.42Å; K379-Y381 WeakPolarHBondContact CD-OH 3.41Å; K379-Y381 WeakPolarHBondContact O-CD2 3.46Å; K379-Y381 WeakPolarHBondContact O-CE2 3.13Å
380R93.6Very high89Confident153 Ų15357.6 Ų57.658%0.57730%0.295SS*.EExtended strand (participates in β ladder)trans-94.2138.2174.1-66.6179.1176.8-178.71.3109.4D244 I375D244-R380 HydrophobicContact CB-CB 4.21Å; D244-R380 WeakPolarHBondContact OD2-CD 3.46Å; D244-R380 IonicContact OD2-NH1 3.73Å; I375-R380 HydrophobicContact CG1-CG 4.25Å
381Y95.4Very high88.3Confident12 Ų1257.8 Ų57.85%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-132.3156.6-178.7-63.5-94.7000108.7V223 V240 L241 Q242 K243 L374 L376 K379V223-Y381 HydrophobicContact CG1-CD1 4.48Å; V223-Y381 HydrophobicContact CG1-CE1 3.72Å; V240-Y381 HydrophobicContact CG1-CD1 3.82Å; V240-Y381 HydrophobicContact CG1-CG 3.89Å; L241-Y381 WeakPolarHBondContact O-CD1 3.39Å; Q242-Y381 HydrophobicContact CB-CE1 4.33Å; Q242-Y381 HydrophobicContact CG-CD1 4.46Å; Q242-Y381 HydrophobicContact CG-CE1 4.16Å; K243-Y381 CarbonylContact O-C 2.9Å; K243-Y381 VanDerWaalsContact O-C 3.3Å; K243-Y381 WeakPolarHBondContact O-CA 3.26Å; L374-Y381 PolarHBondContact N-O 2.95Å; L374-Y381 PolarHBondContact O-N 3.35Å; L376-Y381 HydrophobicContact CB-CD2 4.03Å; L376-Y381 HydrophobicContact CB-CE2 3.73Å; L376-Y381 HydrophobicContact CD1-CD2 4.04Å; L376-Y381 HydrophobicContact CD1-CE2 4.03Å; L376-Y381 HydrophobicContact CG-CD2 4Å; L376-Y381 HydrophobicContact CG-CE2 4.12Å; K379-Y381 HydrophobicContact CB-CD2 4.3Å; K379-Y381 HydrophobicContact CB-CE2 3.42Å; K379-Y381 VanDerWaalsContact CB-CE2 3.42Å; K379-Y381 WeakPolarHBondContact CD-OH 3.41Å; K379-Y381 WeakPolarHBondContact O-CD2 3.46Å; K379-Y381 WeakPolarHBondContact O-CE2 3.13Å
382V95.8Very high87.9Confident0 Ų057.2 Ų57.20%030%0.298CS..EExtended strand (participates in β ladder)trans-94.3124.6168.3177.70000109.2V240 L241 K243 F245 V331V240-V382 CarbonylContact C-O 3.56Å; V240-V382 WeakPolarHBondContact CA-O 3.24Å; L241-V382 HydrophobicContact CB-CB 4.19Å; L241-V382 HydrophobicContact CD1-CB 4.35Å; L241-V382 HydrophobicContact CD1-CG1 4.32Å; L241-V382 PolarHBondContact N-O 2.91Å; L241-V382 PolarHBondContact O-N 3.32Å; K243-V382 WeakPolarHBondContact O-CG2 3.46Å; K243-V382 PolarHBondContact O-N 3.3Å; F245-V382 HydrophobicContact CD1-CG2 4.37Å; F245-V382 HydrophobicContact CD2-CG2 3.76Å; F245-V382 HydrophobicContact CE1-CG1 4.12Å; F245-V382 HydrophobicContact CE1-CG2 4.23Å; F245-V382 HydrophobicContact CE2-CB 4.16Å; F245-V382 HydrophobicContact CE2-CG1 3.95Å; F245-V382 HydrophobicContact CE2-CG2 3.6Å; F245-V382 HydrophobicContact CG-CG2 4.16Å; F245-V382 HydrophobicContact CZ-CB 4.22Å; F245-V382 HydrophobicContact CZ-CG1 3.53Å; F245-V382 HydrophobicContact CZ-CG2 3.87Å; V331-V382 HydrophobicContact CG1-CG2 4.08Å; V331-V382 HydrophobicContact CG2-CG1 4.2Å; V331-V382 HydrophobicContact CG2-CG2 3.84Å
383H95.4Very high87.6Confident14 Ų1455.9 Ų55.97%0.06529%0.294CS..EExtended strand (participates in β ladder)trans-102.1116.2176.3-177.6-153.4000110.4I236 A237 F370 C371 K372 L374I236-H383 VanDerWaalsContact CG2-NE2 3.31Å; I236-H383 WeakPolarHBondContact CG2-NE2 3.34Å; A237-H383 PolarHBondContact O-NE2 2.7Å; F370-H383 AromaticContact CE2-CD2 3.64Å; F370-H383 AromaticContact CE2-CE1 3.27Å; F370-H383 WeakPolarHBondContact CE2-CE1 3.22Å; F370-H383 AromaticContact CE2-CG 3.67Å; F370-H383 AromaticContact CE2-ND1 3.46Å; F370-H383 WeakPolarHBondContact CE2-ND1 3.3Å; F370-H383 AromaticContact CE2-NE2 3.37Å; F370-H383 WeakPolarHBondContact CE2-NE2 3.47Å; F370-H383 AromaticContact CZ-CE1 3.47Å; F370-H383 VanDerWaalsContact CZ-CE1 3.47Å; F370-H383 WeakPolarHBondContact CZ-CE1 2.85Å; F370-H383 AromaticContact CZ-NE2 3.47Å; F370-H383 WeakPolarHBondContact CZ-NE2 3.29Å; C371-H383 WeakPolarHBondContact CA-O 3.35Å; K372-H383 WeakPolarHBondContact CE-ND1 3.3Å; K372-H383 HydrophobicContact CG-CB 4.11Å; K372-H383 PolarHBondContact N-O 3.39Å; K372-H383 WeakPolarHBondContact O-CB 3.44Å; K372-H383 PolarHBondContact O-N 3.34Å; L374-H383 HydrophobicContact CB-CB 3.79Å; L374-H383 HydrophobicContact CD2-CB 4.26Å
384L93.4Very high87.3Confident0 Ų053.6 Ų53.60%028%0.28CS..EExtended strand (participates in β ladder)trans-118.9116.5-170.5-171.668.8000111.1G238 L239 L308 L310 I342 V368 C371 L386G238-L384 CarbonylContact C-O 3.59Å; G238-L384 VanDerWaalsContact CA-O 3.28Å; G238-L384 WeakPolarHBondContact CA-O 2.95Å; L239-L384 HydrophobicContact CB-CB 4.43Å; L239-L384 PolarHBondContact N-O 3.47Å; L239-L384 PolarHBondContact O-N 3.05Å; L308-L384 HydrophobicContact CD2-CD1 3.63Å; L310-L384 HydrophobicContact CD1-CD2 4.26Å; I342-L384 HydrophobicContact CD1-CD2 4.38Å; V368-L384 HydrophobicContact CG1-CD1 3.53Å; V368-L384 HydrophobicContact CG1-CG 4.34Å; C371-L384 HydrophobicContact CB-CD1 4.16Å; L384-L386 HydrophobicContact CD1-CD2 4.26Å; L384-L386 HydrophobicContact CD2-CD1 4.27Å; L384-L386 HydrophobicContact CD2-CD2 3.55Å; L384-L386 HydrophobicContact CD2-CG 3.98Å; L384-L386 HydrophobicContact CG-CD2 3.63Å; L384-L386 HydrophobicContact CG-CG 4.03Å
385G91.4Very high87.2Confident3 Ų353.2 Ų53.23%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-93.3101.1174.200000111V368 K369 F370V368-G385 WeakPolarHBondContact CG1-O 3.47Å; K369-G385 WeakPolarHBondContact CB-O 2.85Å; K369-G385 PolarHBondContact N-O 3.4Å; F370-G385 VanDerWaalsContact CE2-N 3.3Å; F370-G385 VanDerWaalsContact CZ-CA 3.43Å; F370-G385 PolarHBondContact O-N 3.22Å
386L87.4Confident87.3Confident5 Ų548.3 Ų48.33%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-88.2147-178.9-63.2-178.2000112.7L239 M257 I342 I345 I346 V368 L384 P394L239-L386 HydrophobicContact CD1-CD1 3.47Å; L239-L386 VanDerWaalsContact CD1-CD1 3.47Å; L239-L386 HydrophobicContact CD1-CG 4.38Å; L239-L386 HydrophobicContact CG-CD1 4.25Å; M257-L386 HydrophobicContact SD-CD2 4.32Å; I342-L386 HydrophobicContact CG1-CD1 4.45Å; I342-L386 HydrophobicContact CG2-CD1 4.31Å; I345-L386 HydrophobicContact CB-CD1 4.19Å; I345-L386 HydrophobicContact CD1-CD1 4.16Å; I345-L386 HydrophobicContact CG2-CB 4Å; I345-L386 HydrophobicContact CG2-CD1 3.85Å; I346-L386 HydrophobicContact CD1-CD1 3.96Å; I346-L386 HydrophobicContact CD1-CD2 3.49Å; I346-L386 VanDerWaalsContact CD1-CD2 3.49Å; I346-L386 HydrophobicContact CD1-CG 4.22Å; I346-L386 HydrophobicContact CG1-CB 4.41Å; I346-L386 HydrophobicContact CG1-CD1 4.03Å; I346-L386 HydrophobicContact CG1-CD2 4.14Å; I346-L386 HydrophobicContact CG1-CG 4.43Å; V368-L386 HydrophobicContact CG1-CD2 4.41Å; V368-L386 HydrophobicContact CG2-CD2 4.36Å; L384-L386 HydrophobicContact CD1-CD2 4.26Å; L384-L386 HydrophobicContact CD2-CD1 4.27Å; L384-L386 HydrophobicContact CD2-CD2 3.55Å; L384-L386 HydrophobicContact CD2-CG 3.98Å; L384-L386 HydrophobicContact CG-CD2 3.63Å; L384-L386 HydrophobicContact CG-CG 4.03Å; L386-P394 HydrophobicContact CB-CG 4.25Å
387I82.8Confident87.5Confident72 Ų7248 Ų4837%0.36925%0.25SC..  trans-92.5104.3163.5-56.7-175.3000106.2L367 K369L367-I387 HydrophobicContact CB-CD1 4.31Å; L367-I387 HydrophobicContact CD2-CD1 3.35Å; L367-I387 HydrophobicContact CG-CD1 4.42Å; K369-I387 HydrophobicContact CD-CG1 4.24Å; K369-I387 HydrophobicContact CG-CD1 4.05Å; K369-I387 HydrophobicContact CG-CG1 3.46Å; K369-I387 VanDerWaalsContact CG-CG1 3.46Å
388G71.8Confident87.9Confident32 Ų3240.8 Ų40.833%0.3322%0.223SC..  trans-77140.8-178.900000111.8I345I345-G388 CarbonylContact O-C 3.6Å; I345-G388 VanDerWaalsContact O-CA 3.28Å; I345-G388 WeakPolarHBondContact O-CA 3.41Å
389T70.1Confident88.4Confident106 Ų10635.9 Ų35.965%0.6519%0.188SC*.SBendtrans-93.8-12.2166.850.70000112I345 I346I345-T389 PolarHBondContact O-N 3.4Å; I345-T389 PolarHBondContact O-OG1 3.4Å; I346-T389 WeakPolarHBondContact O-CG2 3.46Å; I346-T389 PolarHBondContact O-OG1 2.84Å
390C72.3Confident88.7Confident44 Ų4429.4 Ų29.430%0.29716%0.16SC..SBendtrans-94.9167.717764.10000112.9F392C390-F392 PolarHBondContact O-N 3.21Å
391T77.3Confident88.7Confident67 Ų6722.1 Ų22.141%0.41113%0.133SC..SBendtrans-68.1-14.9178.451.10000114T203 V210T203-T391 PolarHBondContact OG1-O 2.98Å; V210-T391 WeakPolarHBondContact CG2-OG1 3.5Å
392F83.8Confident88.5Confident3 Ų325.2 Ų25.21%0.01316%0.155CC..BIsolated β-bridgetrans-80126.2177173.3-110.7000111.1C201 V210 L213 V214 L221 I345 C390 P394C201-F392 HydrophobicContact CB-CD2 4.02Å; C201-F392 HydrophobicContact CB-CE2 3.7Å; V210-F392 HydrophobicContact CG1-CB 3.93Å; V210-F392 HydrophobicContact CG1-CD2 3.52Å; V210-F392 HydrophobicContact CG1-CE2 4.46Å; V210-F392 HydrophobicContact CG1-CG 4.14Å; V210-F392 HydrophobicContact CG2-CB 4.4Å; L213-F392 HydrophobicContact CD1-CB 4.49Å; L213-F392 HydrophobicContact CD1-CD1 4.5Å; L213-F392 HydrophobicContact CD2-CD1 3.7Å; L213-F392 HydrophobicContact CD2-CD2 4.32Å; L213-F392 HydrophobicContact CD2-CE1 3.82Å; L213-F392 HydrophobicContact CD2-CE2 4.41Å; L213-F392 HydrophobicContact CD2-CG 3.95Å; L213-F392 HydrophobicContact CD2-CZ 4.17Å; V214-F392 HydrophobicContact CG2-CD2 4.07Å; V214-F392 HydrophobicContact CG2-CE2 3.59Å; V214-F392 HydrophobicContact CG2-CZ 4.31Å; L221-F392 HydrophobicContact CD1-CZ 3.89Å; L221-F392 HydrophobicContact CD2-CE1 4.17Å; L221-F392 HydrophobicContact CD2-CZ 3.88Å; I345-F392 HydrophobicContact CD1-CD1 4.41Å; I345-F392 HydrophobicContact CD1-CE1 4.2Å; I345-F392 HydrophobicContact CG1-CD1 4.18Å; I345-F392 HydrophobicContact CG1-CE1 4.45Å; C390-F392 PolarHBondContact O-N 3.21Å; F392-P394 HydrophobicContact CE1-CB 4.16Å
393I87.9Confident88.2Confident72 Ų7228.7 Ų28.737%0.36918%0.176SC..  trans-94.7115.1173.4-53.7175.8000108.9C201 T203 H395C201-I393 PolarHBondContact O-N 3.02Å; T203-I393 HydrophobicContact CG2-CD1 3.63Å; T203-I393 HydrophobicContact CG2-CG1 4.17Å; I393-H395 VanDerWaalsContact CG2-CE1 3.44Å; I393-H395 WeakPolarHBondContact CG2-CE1 3.46Å; I393-H395 PolarHBondContact O-N 3.16Å; I393-H395 VanDerWaalsContact O-N 3.14Å; I393-H395 PolarHBondContact O-ND1 2.9Å
394P88.9Confident87.9Confident10 Ų1036.5 Ų36.57%0.06520%0.204CC..  trans-64.9118.9-174.325.8-33.3000110.8G238 L239 I345 L386 F392G238-P394 WeakPolarHBondContact CA-O 3.34Å; G238-P394 PolarHBondContact N-O 3.5Å; L239-P394 HydrophobicContact CD2-CB 4.25Å; L239-P394 HydrophobicContact CG-CB 4.27Å; I345-P394 HydrophobicContact CD1-CB 4.27Å; I345-P394 HydrophobicContact CG2-CG 4.41Å; L386-P394 HydrophobicContact CB-CG 4.25Å; F392-P394 HydrophobicContact CE1-CB 4.16Å
395H93.4Very high87.7Confident24 Ų2437 Ų3711%0.11121%0.209CC..EExtended strand (participates in β ladder)trans-135.8151.3167.8-68.979.3000107.8Y197 K200 I235 I236 A237 G238 I393Y197-H395 HydrophobicContact CD2-CB 4.18Å; Y197-H395 HydrophobicContact CE2-CB 3.8Å; Y197-H395 WeakPolarHBondContact CE2-O 3.37Å; Y197-H395 PolarHBondContact OH-O 3Å; K200-H395 PolarHBondContact O-CE1 3.44Å; K200-H395 VanDerWaalsContact O-CE1 3.29Å; K200-H395 PolarHBondContact O-ND1 3.46Å; I235-H395 HydrophobicContact CG2-CB 3.81Å; I236-H395 CarbonylContact O-C 3.5Å; I236-H395 WeakPolarHBondContact O-CA 3.23Å; A237-H395 VanDerWaalsContact CA-CD2 3.44Å; A237-H395 WeakPolarHBondContact CA-CD2 3.22Å; G238-H395 CarbonylContact O-C 3.56Å; G238-H395 WeakPolarHBondContact O-CA 3.22Å; I393-H395 VanDerWaalsContact CG2-CE1 3.44Å; I393-H395 WeakPolarHBondContact CG2-CE1 3.46Å; I393-H395 PolarHBondContact O-N 3.16Å; I393-H395 VanDerWaalsContact O-N 3.14Å; I393-H395 PolarHBondContact O-ND1 2.9Å
396C94.8Very high87.6Confident0 Ų038.2 Ų38.20%022%0.215CC..EExtended strand (participates in β ladder)trans-115.7134.5175.5-179.80000109.7L221 I236 G238 V240L221-C396 VanDerWaalsContact O-CA 3.3Å; L221-C396 WeakPolarHBondContact O-CA 3.24Å; L221-C396 PolarHBondContact O-SG 3.2Å; I236-C396 PolarHBondContact N-O 3.45Å; I236-C396 PolarHBondContact O-N 2.8Å; G238-C396 PolarHBondContact O-N 3.06Å; V240-C396 HydrophobicContact CB-CB 4.22Å; V240-C396 HydrophobicContact CG2-CB 3.86Å
397V96.6Very high87.8Confident0 Ų038.1 Ų38.10%022%0.215CC..EExtended strand (participates in β ladder)trans-88.7122.8172.6-172.50000108.8L193 Y197 L221 N222 V223 L399 L414L193-V397 HydrophobicContact CD2-CG1 4.09Å; Y197-V397 HydrophobicContact CD1-CG2 3.61Å; Y197-V397 HydrophobicContact CD2-CG2 3.29Å; Y197-V397 HydrophobicContact CE1-CG2 3.77Å; Y197-V397 HydrophobicContact CE2-CG2 3.44Å; Y197-V397 VanDerWaalsContact CE2-CG2 3.44Å; Y197-V397 HydrophobicContact CG-CG2 3.38Å; L221-V397 PolarHBondContact O-N 3.44Å; N222-V397 CarbonylContact C-O 3.58Å; N222-V397 WeakPolarHBondContact CA-O 3.15Å; N222-V397 PolarHBondContact OD1-O 2.8Å; V223-V397 PolarHBondContact N-O 2.82Å; V397-L399 HydrophobicContact CG1-CD2 3.77Å; V397-L399 HydrophobicContact CG1-CG 3.94Å; V397-L414 HydrophobicContact CG1-CD2 4.13Å
398V97Very high88.3Confident0 Ų036.3 Ų36.30%021%0.205CC..EExtended strand (participates in β ladder)trans-98.1114.2170.1-178.80000108.2V223 V225 S233 R234 I236 L376V223-V398 CarbonylContact O-C 3.56Å; V223-V398 WeakPolarHBondContact O-CA 3.49Å; V225-V398 HydrophobicContact CB-CG1 4.5Å; V225-V398 HydrophobicContact CG2-CG1 3.63Å; S233-V398 CarbonylContact C-O 3.52Å; S233-V398 WeakPolarHBondContact CA-O 3.37Å; S233-V398 VanDerWaalsContact CB-O 3.27Å; S233-V398 WeakPolarHBondContact CB-O 3.38Å; R234-V398 HydrophobicContact CG-CB 4.41Å; R234-V398 PolarHBondContact N-O 3.4Å; R234-V398 PolarHBondContact O-N 2.91Å; I236-V398 HydrophobicContact CD1-CG2 3.53Å; I236-V398 HydrophobicContact CG1-CG2 3.98Å; L376-V398 HydrophobicContact CD1-CG1 4.09Å; L376-V398 HydrophobicContact CD1-CG2 4.06Å
399L96.8Very high89.2Confident0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-101.2115.8178.5-67.6179.1000110.5L193 N222 V223 G224 V225 V397 I407 H410 E411 L414L193-L399 HydrophobicContact CD2-CD2 3.8Å; N222-L399 VanDerWaalsContact OD1-CD1 3.29Å; N222-L399 WeakPolarHBondContact OD1-CD1 3.49Å; N222-L399 WeakPolarHBondContact OD1-CG 3.3Å; V223-L399 PolarHBondContact O-N 3.14Å; G224-L399 CarbonylContact C-O 3.3Å; G224-L399 WeakPolarHBondContact CA-O 3.46Å; V225-L399 PolarHBondContact N-O 3.42Å; V397-L399 HydrophobicContact CG1-CD2 3.77Å; V397-L399 HydrophobicContact CG1-CG 3.94Å; L399-I407 HydrophobicContact CB-CG2 4.22Å; L399-H410 HydrophobicContact CD1-CB 4.15Å; L399-E411 HydrophobicContact CD1-CB 4.37Å; L399-E411 HydrophobicContact CD1-CG 3.59Å; L399-L414 HydrophobicContact CD1-CD1 4.21Å; L399-L414 HydrophobicContact CD1-CD2 4.3Å; L399-L414 HydrophobicContact CD2-CD1 4.4Å; L399-L414 HydrophobicContact CD2-CD2 4.27Å
400C96.1Very high90.3Very high1 Ų129.8 Ų29.81%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-96.5146.1179.2-67.30000110.6V225 L228 P229 V230 D232 S233V225-C400 WeakPolarHBondContact O-CA 3.27Å; L228-C400 HydrophobicContact CB-CB 3.9Å; P229-C400 VanDerWaalsContact O-CB 3.24Å; P229-C400 WeakPolarHBondContact O-CB 3.42Å; V230-C400 WeakPolarHBondContact CA-O 3.36Å; D232-C400 HydrophobicContact CB-CB 4.06Å; S233-C400 PolarHBondContact OG-N 3.44Å
401G93.9Very high91.4Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-167.1155.1172.400000112.8V225 T226 G227 L228 V403V225-G401 PolarHBondContact O-N 2.9Å; V225-G401 VanDerWaalsContact O-N 3.11Å; T226-G401 CarbonylContact C-O 3.39Å; T226-G401 VanDerWaalsContact CA-O 3.31Å; T226-G401 WeakPolarHBondContact CA-O 3.38Å; G227-G401 PolarHBondContact N-O 3.38Å; L228-G401 CarbonylContact O-C 3.55Å; L228-G401 WeakPolarHBondContact O-CA 3.47Å; L228-G401 PolarHBondContact O-N 2.89Å; G401-V403 VanDerWaalsContact C-N 3.26Å; G401-V403 PolarHBondContact O-N 2.97Å
402P91.6Very high92.1Very high77 Ų7729.3 Ų29.350%0.515%0.149SC..SBendtrans-63.7-33.8-176.625-34.1000112.1L406P402-L406 HydrophobicContact CG-CD2 4.13Å
403V89.3Confident92.6Very high73 Ų7329.2 Ų29.244%0.44215%0.148SC..SBendtrans-134.3150.8-178.7-62.80000110.9L47 G401 G405 L406 I407L47-V403 HydrophobicContact CD1-CG2 4.44Å; G401-V403 VanDerWaalsContact C-N 3.26Å; G401-V403 PolarHBondContact O-N 2.97Å; V403-G405 VanDerWaalsContact C-N 3.34Å; V403-G405 PolarHBondContact O-N 2.95Å; V403-L406 HydrophobicContact CG2-CB 4.05Å; V403-L406 PolarHBondContact O-N 3.31Å; V403-I407 PolarHBondContact O-N 3.23Å
404R89.6Confident92.9Very high177 Ų17725.8 Ų25.867%0.66813%0.131SC*.Hα-helixtrans-55.5-44.1-178.1-176.9175.9171.11701.6113T226 L406 I407 E408T226-R404 HydrophobicContact CG2-CB 3.93Å; R404-L406 VanDerWaalsContact C-N 3.26Å; R404-L406 PolarHBondContact O-N 3.39Å; R404-I407 WeakPolarHBondContact O-CB 3.37Å; R404-I407 PolarHBondContact O-N 2.85Å; R404-I407 VanDerWaalsContact O-N 3.08Å; R404-E408 HydrophobicContact CG-CG 4.22Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 IonicContact CZ-OE1 3.47Å; R404-E408 IonicContact NE-OE1 2.73Å; R404-E408 PolarHBondContact NE-OE1 3.18Å; R404-E408 IonicContact NH2-OE1 3.19Å; R404-E408 PolarHBondContact NH2-OE1 3.34Å; R404-E408 WeakPolarHBondContact O-CG 3.41Å; R404-E408 PolarHBondContact O-N 3.46Å
405G88.1Confident93.1Very high10 Ų1027.3 Ų27.310%0.10314%0.137CC..Hα-helixtrans-60.2-32.5-179.100000114.2V403 Q409V403-G405 VanDerWaalsContact C-N 3.34Å; V403-G405 PolarHBondContact O-N 2.95Å; G405-Q409 PolarHBondContact O-N 2.97Å; G405-Q409 VanDerWaalsContact O-N 3.1Å
406L89.9Confident93.2Very high29 Ų2926.4 Ų26.415%0.15214%0.135CC..Hα-helixtrans-71.5-39.8175.9-172.569.3000111.6V230 P402 V403 R404 Q409 H410V230-L406 HydrophobicContact CG2-CD2 3.73Å; P402-L406 HydrophobicContact CG-CD2 4.13Å; V403-L406 HydrophobicContact CG2-CB 4.05Å; V403-L406 PolarHBondContact O-N 3.31Å; R404-L406 VanDerWaalsContact C-N 3.26Å; R404-L406 PolarHBondContact O-N 3.39Å; L406-Q409 WeakPolarHBondContact O-CB 3.31Å; L406-Q409 PolarHBondContact O-N 3.32Å; L406-H410 PolarHBondContact O-N 3.42Å; L406-H410 VanDerWaalsContact O-N 3.09Å; L406-H410 PolarHBondContact O-ND1 3.07Å
407I92.8Very high93.1Very high4 Ų426.4 Ų26.42%0.02114%0.135CC..Hα-helixtrans-62.5-51.1177.6-62.8172.6000109.5V225 T226 L399 V403 R404 Q409 H410 E411V225-I407 VanDerWaalsContact O-CD1 3.24Å; V225-I407 WeakPolarHBondContact O-CD1 3.43Å; T226-I407 HydrophobicContact CG2-CD1 3.65Å; L399-I407 HydrophobicContact CB-CG2 4.22Å; V403-I407 PolarHBondContact O-N 3.23Å; R404-I407 WeakPolarHBondContact O-CB 3.37Å; R404-I407 PolarHBondContact O-N 2.85Å; R404-I407 VanDerWaalsContact O-N 3.08Å; I407-Q409 PolarHBondContact O-N 2.99Å; I407-H410 CarbonylContact O-C 3.53Å; I407-H410 WeakPolarHBondContact O-CA 3.43Å; I407-H410 WeakPolarHBondContact O-CB 3.37Å; I407-H410 PolarHBondContact O-N 2.95Å; I407-E411 HydrophobicContact CG2-CG 4.23Å; I407-E411 WeakPolarHBondContact CG2-OE1 3.47Å; I407-E411 WeakPolarHBondContact O-CG 3.46Å; I407-E411 PolarHBondContact O-N 3.5Å
408E91.8Very high92.9Very high34 Ų3426.6 Ų26.616%0.15914%0.135CC..Hα-helixtrans-57.9-37.6177.7-66.3169.1164.600110.8R53 R404 H410 E411 D412R53-E408 IonicContact CZ-OE2 3.49Å; R53-E408 IonicContact NH2-OE2 3.77Å; R53-E408 PolarHBondContact NH2-OE2 3.38Å; R404-E408 HydrophobicContact CG-CG 4.22Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 IonicContact CZ-OE1 3.47Å; R404-E408 IonicContact NE-OE1 2.73Å; R404-E408 PolarHBondContact NE-OE1 3.18Å; R404-E408 IonicContact NH2-OE1 3.19Å; R404-E408 PolarHBondContact NH2-OE1 3.34Å; R404-E408 WeakPolarHBondContact O-CG 3.41Å; R404-E408 PolarHBondContact O-N 3.46Å; E408-H410 VanDerWaalsContact C-N 3.3Å; E408-H410 PolarHBondContact O-N 3.48Å; E408-E411 PolarHBondContact O-N 2.97Å; E408-D412 WeakPolarHBondContact O-CB 3.27Å; E408-D412 PolarHBondContact O-N 2.98Å
409Q91.3Very high92.7Very high1 Ų128.2 Ų28.21%0.00514%0.142CC..Hα-helixtrans-62.1-38.1174.8-175.9-169.8-94.900112S48 R53 R181 G405 L406 I407 A413S48-Q409 VanDerWaalsContact CA-OE1 3.31Å; R53-Q409 VanDerWaalsContact NH1-N 3.11Å; R181-Q409 PolarHBondContact O-NE2 3.28Å; R181-Q409 VanDerWaalsContact O-NE2 3.12Å; G405-Q409 PolarHBondContact O-N 2.97Å; G405-Q409 VanDerWaalsContact O-N 3.1Å; L406-Q409 WeakPolarHBondContact O-CB 3.31Å; L406-Q409 PolarHBondContact O-N 3.32Å; I407-Q409 PolarHBondContact O-N 2.99Å; Q409-A413 WeakPolarHBondContact O-CB 3.44Å; Q409-A413 PolarHBondContact O-N 3.05Å
410H93.6Very high92.5Very high0 Ų028.8 Ų28.80%015%0.145CC..Hα-helixtrans-71.2-44.6176.6-64.3-2.3000110.4L399 L406 I407 E408 D412 A413 L414L399-H410 HydrophobicContact CD1-CB 4.15Å; L406-H410 PolarHBondContact O-N 3.42Å; L406-H410 VanDerWaalsContact O-N 3.09Å; L406-H410 PolarHBondContact O-ND1 3.07Å; I407-H410 CarbonylContact O-C 3.53Å; I407-H410 WeakPolarHBondContact O-CA 3.43Å; I407-H410 WeakPolarHBondContact O-CB 3.37Å; I407-H410 PolarHBondContact O-N 2.95Å; E408-H410 VanDerWaalsContact C-N 3.3Å; E408-H410 PolarHBondContact O-N 3.48Å; H410-D412 PolarHBondContact O-N 3.38Å; H410-A413 PolarHBondContact O-N 2.85Å; H410-A413 VanDerWaalsContact O-N 3.12Å; H410-L414 HydrophobicContact CB-CD1 4.47Å; H410-L414 WeakPolarHBondContact O-CD1 3.3Å; H410-L414 PolarHBondContact O-N 2.69Å
411E94.1Very high92.3Very high41 Ų4128.7 Ų28.719%0.19215%0.145CC..Hα-helixtrans-53.4-53.1174.4-68.9174.8164.700111.6F218 N222 G224 L399 I407 E408 A413 L414 H415F218-E411 WeakPolarHBondContact CE1-O 3.31Å; N222-E411 VanDerWaalsContact ND2-CG 3.31Å; N222-E411 WeakPolarHBondContact ND2-CG 3.33Å; N222-E411 PolarHBondContact ND2-OE1 3.44Å; G224-E411 WeakPolarHBondContact CA-OE1 3.22Å; G224-E411 PolarHBondContact N-OE1 3.43Å; L399-E411 HydrophobicContact CD1-CB 4.37Å; L399-E411 HydrophobicContact CD1-CG 3.59Å; I407-E411 HydrophobicContact CG2-CG 4.23Å; I407-E411 WeakPolarHBondContact CG2-OE1 3.47Å; I407-E411 WeakPolarHBondContact O-CG 3.46Å; I407-E411 PolarHBondContact O-N 3.5Å; E408-E411 PolarHBondContact O-N 2.97Å; E411-A413 PolarHBondContact O-N 3.34Å; E411-L414 PolarHBondContact O-N 3.34Å; E411-H415 PolarHBondContact O-N 3.19Å
412D92.4Very high92Very high60 Ų6031 Ų3132%0.32115%0.153SC..Hα-helixtrans-58.6-38.3178.1-64.5-37.6000112R53 E408 H410 G416R53-D412 WeakPolarHBondContact CD-OD2 3.36Å; R53-D412 IonicContact CZ-OD2 2.77Å; R53-D412 IonicContact NE-OD2 3.77Å; R53-D412 PolarHBondContact NE-OD2 3.32Å; R53-D412 IonicContact NH1-OD2 3.06Å; R53-D412 PolarHBondContact NH1-OD2 2.9Å; E408-D412 WeakPolarHBondContact O-CB 3.27Å; E408-D412 PolarHBondContact O-N 2.98Å; H410-D412 PolarHBondContact O-N 3.38Å; D412-G416 PolarHBondContact O-N 3.43Å
413A94.1Very high91.9Very high0 Ų028.2 Ų28.20%013%0.134CC..Hα-helixtrans-71.4-41.9179.200000111.5Y177 F178 R181 V182 Q409 H410 E411 G416 A417Y177-A413 VanDerWaalsContact CE1-O 3.26Å; Y177-A413 WeakPolarHBondContact CE1-O 3.42Å; F178-A413 HydrophobicContact CD1-CB 3.88Å; F178-A413 HydrophobicContact CE1-CB 3.74Å; R181-A413 HydrophobicContact CB-CB 4.13Å; V182-A413 HydrophobicContact CG2-CB 4.05Å; Q409-A413 WeakPolarHBondContact O-CB 3.44Å; Q409-A413 PolarHBondContact O-N 3.05Å; H410-A413 PolarHBondContact O-N 2.85Å; H410-A413 VanDerWaalsContact O-N 3.12Å; E411-A413 PolarHBondContact O-N 3.34Å; A413-G416 PolarHBondContact O-N 3.42Å; A413-A417 WeakPolarHBondContact O-CB 3.35Å; A413-A417 PolarHBondContact O-N 3.04Å
414L95Very high91.8Very high0 Ų024.8 Ų24.80%011%0.113CC..Hα-helixtrans-64.4-44176.2-8880.9000110.9F178 I190 M194 F218 V397 L399 H410 E411 G416 A417 F418F178-L414 HydrophobicContact CE1-CD1 4.07Å; F178-L414 HydrophobicContact CE1-CG 4.4Å; F178-L414 HydrophobicContact CZ-CD1 4.26Å; F178-L414 HydrophobicContact CZ-CG 4.2Å; I190-L414 HydrophobicContact CG2-CD1 3.7Å; M194-L414 HydrophobicContact SD-CD2 4.47Å; M194-L414 HydrophobicContact SD-CG 4.47Å; F218-L414 HydrophobicContact CE1-CB 4.41Å; F218-L414 HydrophobicContact CE2-CB 4.04Å; F218-L414 HydrophobicContact CZ-CB 3.49Å; F218-L414 VanDerWaalsContact CZ-CB 3.49Å; F218-L414 HydrophobicContact CZ-CD2 4.44Å; V397-L414 HydrophobicContact CG1-CD2 4.13Å; L399-L414 HydrophobicContact CD1-CD1 4.21Å; L399-L414 HydrophobicContact CD1-CD2 4.3Å; L399-L414 HydrophobicContact CD2-CD1 4.4Å; L399-L414 HydrophobicContact CD2-CD2 4.27Å; H410-L414 HydrophobicContact CB-CD1 4.47Å; H410-L414 WeakPolarHBondContact O-CD1 3.3Å; H410-L414 PolarHBondContact O-N 2.69Å; E411-L414 PolarHBondContact O-N 3.34Å; L414-G416 PolarHBondContact O-N 2.89Å; L414-A417 WeakPolarHBondContact O-CB 3.15Å; L414-A417 PolarHBondContact O-N 3.11Å; L414-F418 WeakPolarHBondContact O-CD2 3.32Å; L414-F418 PolarHBondContact O-N 3.49Å; L414-F418 VanDerWaalsContact O-N 3.11Å
415H94Very high91.7Very high42 Ų4216.9 Ų16.919%0.1948%0.083CC..Hα-helixtrans-61.2-45177-167.7-161.9000111.7D215 F218 E411 A417 F418 K419D215-H415 PolarHBondContact O-NE2 3.3Å; D215-H415 IonicContact OD1-CD2 2.83Å; D215-H415 IonicContact OD1-CE1 2.59Å; D215-H415 IonicContact OD1-NE2 2.96Å; D215-H415 PolarHBondContact OD1-NE2 3.42Å; F218-H415 HydrophobicContact CD1-CB 3.57Å; F218-H415 AromaticContact CD1-CG 3.81Å; F218-H415 HydrophobicContact CE1-CB 3.77Å; F218-H415 HydrophobicContact CG-CB 4Å; F218-H415 AromaticContact CG-CD2 3.7Å; F218-H415 AromaticContact CG-CG 3.94Å; F218-H415 HydrophobicContact CZ-CB 4.36Å; E411-H415 PolarHBondContact O-N 3.19Å; H415-A417 VanDerWaalsContact C-N 3.31Å; H415-A417 PolarHBondContact O-N 3.26Å; H415-F418 WeakPolarHBondContact O-CB 3.3Å; H415-F418 PolarHBondContact O-N 2.86Å; H415-K419 PolarHBondContact CE1-NZ 3.41Å; H415-K419 VanDerWaalsContact CE1-NZ 3.3Å; H415-K419 PolarHBondContact ND1-NZ 3.42Å; H415-K419 PolarHBondContact O-N 2.8Å
416G94.1Very high91.5Very high6 Ų619.5 Ų19.56%0.0629%0.092CC..Hα-helixtrans-62.9-35.3175.400000113.2G80 Y177 D412 A413 L414 F418 K419 M420G80-G416 WeakPolarHBondContact CA-O 3.5Å; Y177-G416 VanDerWaalsContact OH-CA 3.27Å; Y177-G416 WeakPolarHBondContact OH-CA 3.48Å; D412-G416 PolarHBondContact O-N 3.43Å; A413-G416 PolarHBondContact O-N 3.42Å; L414-G416 PolarHBondContact O-N 2.89Å; G416-F418 VanDerWaalsContact C-N 3.34Å; G416-F418 PolarHBondContact O-N 2.91Å; G416-K419 PolarHBondContact O-N 2.8Å; G416-M420 PolarHBondContact O-N 3.5Å
417A94.2Very high91.2Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-63.8-40175.300000111.4L174 Y177 F178 A413 L414 H415 M420 L421L174-A417 HydrophobicContact CD2-CB 4.02Å; Y177-A417 HydrophobicContact CD1-CB 3.96Å; Y177-A417 HydrophobicContact CE1-CB 3.7Å; Y177-A417 PolarHBondContact OH-N 3.35Å; F178-A417 HydrophobicContact CE1-CB 4.41Å; F178-A417 HydrophobicContact CE2-CB 4.4Å; F178-A417 HydrophobicContact CZ-CB 3.83Å; A413-A417 WeakPolarHBondContact O-CB 3.35Å; A413-A417 PolarHBondContact O-N 3.04Å; L414-A417 WeakPolarHBondContact O-CB 3.15Å; L414-A417 PolarHBondContact O-N 3.11Å; H415-A417 VanDerWaalsContact C-N 3.31Å; H415-A417 PolarHBondContact O-N 3.26Å; A417-M420 PolarHBondContact O-N 2.94Å; A417-L421 VanDerWaalsContact O-CG 3.31Å; A417-L421 WeakPolarHBondContact O-CG 3.45Å; A417-L421 PolarHBondContact O-N 3.42Å
418F91.9Very high90.7Very high4 Ų422.7 Ų22.72%0.01811%0.109CC..Hα-helixtrans-61.7-43.7174.3-86.8-68.2000112.7M194 Y197 F198 F211 V214 F218 L414 H415 G416 M420 L421 R422M194-F418 HydrophobicContact CE-CD1 3.81Å; M194-F418 HydrophobicContact CE-CD2 3.7Å; M194-F418 HydrophobicContact CE-CE1 3.39Å; M194-F418 HydrophobicContact CE-CE2 3.26Å; M194-F418 HydrophobicContact CE-CG 3.95Å; M194-F418 HydrophobicContact CE-CZ 3.09Å; M194-F418 HydrophobicContact SD-CD2 4.18Å; M194-F418 HydrophobicContact SD-CE2 3.53Å; M194-F418 VanDerWaalsContact SD-CE2 3.53Å; M194-F418 HydrophobicContact SD-CZ 3.8Å; Y197-F418 AromaticContact CD1-CE2 3.78Å; Y197-F418 HydrophobicContact CD1-CE2 3.78Å; Y197-F418 AromaticContact CD1-CZ 3.47Å; Y197-F418 HydrophobicContact CD1-CZ 3.47Å; Y197-F418 VanDerWaalsContact CD1-CZ 3.47Å; Y197-F418 AromaticContact CE1-CE2 3.61Å; Y197-F418 HydrophobicContact CE1-CE2 3.61Å; Y197-F418 AromaticContact CE1-CZ 3.38Å; Y197-F418 HydrophobicContact CE1-CZ 3.38Å; F198-F418 HydrophobicContact CD2-CE1 4.47Å; F211-F418 HydrophobicContact CD1-CD1 4.06Å; F211-F418 HydrophobicContact CE1-CD1 4.26Å; V214-F418 HydrophobicContact CB-CD1 4.44Å; V214-F418 HydrophobicContact CB-CE1 4.38Å; V214-F418 HydrophobicContact CG1-CD1 3.88Å; V214-F418 HydrophobicContact CG1-CD2 3.87Å; V214-F418 HydrophobicContact CG1-CE1 3.73Å; V214-F418 HydrophobicContact CG1-CE2 3.71Å; V214-F418 HydrophobicContact CG1-CG 3.95Å; V214-F418 HydrophobicContact CG1-CZ 3.64Å; F218-F418 HydrophobicContact CD2-CD2 4.01Å; F218-F418 HydrophobicContact CD2-CE2 4.26Å; F218-F418 AromaticContact CE2-CD2 3.9Å; F218-F418 HydrophobicContact CE2-CD2 3.9Å; F218-F418 AromaticContact CE2-CE2 3.94Å; F218-F418 HydrophobicContact CE2-CE2 3.94Å; L414-F418 WeakPolarHBondContact O-CD2 3.32Å; L414-F418 PolarHBondContact O-N 3.49Å; L414-F418 VanDerWaalsContact O-N 3.11Å; H415-F418 WeakPolarHBondContact O-CB 3.3Å; H415-F418 PolarHBondContact O-N 2.86Å; G416-F418 VanDerWaalsContact C-N 3.34Å; G416-F418 PolarHBondContact O-N 2.91Å; F418-M420 PolarHBondContact O-N 3.16Å; F418-L421 PolarHBondContact O-N 2.85Å; F418-R422 WeakPolarHBondContact O-CB 3.42Å; F418-R422 PolarHBondContact O-N 3.32Å
419K92.4Very high90.1Very high33 Ų3326.6 Ų26.614%0.14313%0.131CC..Hα-helixtrans-61.2-43.6175.1-69.8171.8-179165.80111.9D215 H415 G416 R422 Q423D215-K419 WeakPolarHBondContact OD1-CE 3.3Å; D215-K419 WeakPolarHBondContact OD1-CG 3.41Å; D215-K419 IonicContact OD1-NZ 2.89Å; H415-K419 PolarHBondContact CE1-NZ 3.41Å; H415-K419 VanDerWaalsContact CE1-NZ 3.3Å; H415-K419 PolarHBondContact ND1-NZ 3.42Å; H415-K419 PolarHBondContact O-N 2.8Å; G416-K419 PolarHBondContact O-N 2.8Å; K419-R422 WeakPolarHBondContact O-CB 3.36Å; K419-R422 PolarHBondContact O-N 2.97Å; K419-Q423 WeakPolarHBondContact O-CG 3.26Å; K419-Q423 PolarHBondContact O-N 3.23Å; K419-Q423 VanDerWaalsContact O-N 3.09Å
420M93.1Very high89.3Confident12 Ų1226.6 Ų26.66%0.05913%0.131CC..Hα-helixtrans-60.6-47.2175.5176.5-158.76100111.2T79 L173 L174 Y177 G416 A417 F418 Q423 L424T79-M420 VanDerWaalsContact O-CA 3.27Å; T79-M420 WeakPolarHBondContact O-CA 3.35Å; T79-M420 PolarHBondContact O-N 3.15Å; L173-M420 HydrophobicContact CD1-CE 4.47Å; L173-M420 HydrophobicContact CD1-SD 4.29Å; L173-M420 HydrophobicContact CD2-CE 3.77Å; L173-M420 HydrophobicContact CD2-SD 4.46Å; L173-M420 HydrophobicContact CG-CE 3.9Å; L173-M420 HydrophobicContact CG-SD 4.36Å; L174-M420 HydrophobicContact CD2-CE 4.16Å; Y177-M420 HydrophobicContact CD2-CE 4.11Å; Y177-M420 HydrophobicContact CD2-SD 3.51Å; Y177-M420 VanDerWaalsContact CD2-SD 3.51Å; Y177-M420 HydrophobicContact CE2-CB 4.42Å; Y177-M420 HydrophobicContact CE2-SD 4.13Å; Y177-M420 HydrophobicContact CG-CE 4.28Å; Y177-M420 HydrophobicContact CG-SD 4.18Å; G416-M420 PolarHBondContact O-N 3.5Å; A417-M420 PolarHBondContact O-N 2.94Å; F418-M420 PolarHBondContact O-N 3.16Å; M420-Q423 PolarHBondContact O-N 3.43Å; M420-L424 PolarHBondContact O-N 3.12Å
421L90.7Very high88.2Confident0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-62.1-44.1177.3-69.8172.9000110.8L170 L173 L174 M194 F198 F211 A417 F418 Q423 L424 F425L170-L421 HydrophobicContact CD1-CD1 4.17Å; L170-L421 HydrophobicContact CD1-CD2 3.55Å; L173-L421 HydrophobicContact CD2-CD2 3.76Å; L174-L421 HydrophobicContact CD2-CD1 4.45Å; M194-L421 HydrophobicContact CE-CD1 4.05Å; F198-L421 HydrophobicContact CD2-CD1 4.45Å; F211-L421 HydrophobicContact CD1-CB 4.33Å; F211-L421 HydrophobicContact CE1-CB 3.5Å; F211-L421 HydrophobicContact CE1-CD1 4.3Å; F211-L421 HydrophobicContact CZ-CB 3.92Å; A417-L421 VanDerWaalsContact O-CG 3.31Å; A417-L421 WeakPolarHBondContact O-CG 3.45Å; A417-L421 PolarHBondContact O-N 3.42Å; F418-L421 PolarHBondContact O-N 2.85Å; L421-Q423 VanDerWaalsContact C-N 3.27Å; L421-Q423 PolarHBondContact O-N 3.44Å; L421-L424 HydrophobicContact CD2-CD2 4.48Å; L421-L424 WeakPolarHBondContact O-CA 3.45Å; L421-L424 WeakPolarHBondContact O-CB 3.37Å; L421-L424 PolarHBondContact O-N 3.25Å; L421-F425 VanDerWaalsContact O-CD2 3.29Å; L421-F425 WeakPolarHBondContact O-CD2 3.32Å; L421-F425 PolarHBondContact O-N 3.03Å; L421-F425 VanDerWaalsContact O-N 3.14Å
422R88.5Confident86.6Confident47 Ų4730.6 Ų30.618%0.17715%0.153CC..Hα-helixtrans-53.8-43.3175.4-175.5178.7173.5-1630.5112.1F211 E212 D215 F418 K419 F425F211-R422 HydrophobicContact CB-CB 3.91Å; F211-R422 HydrophobicContact CB-CG 3.88Å; F211-R422 HydrophobicContact CD1-CB 4.38Å; F211-R422 HydrophobicContact CG-CB 4.16Å; E212-R422 VanDerWaalsContact CD-NH2 3.3Å; E212-R422 IonicContact OE1-CZ 3.49Å; E212-R422 IonicContact OE1-NE 3.25Å; E212-R422 IonicContact OE1-NH2 2.62Å; E212-R422 PolarHBondContact OE1-NH2 3.12Å; D215-R422 IonicContact OD2-NH1 3.94Å; D215-R422 PolarHBondContact OD2-NH1 3.28Å; F418-R422 WeakPolarHBondContact O-CB 3.42Å; F418-R422 PolarHBondContact O-N 3.32Å; K419-R422 WeakPolarHBondContact O-CB 3.36Å; K419-R422 PolarHBondContact O-N 2.97Å; R422-F425 PolarHBondContact O-N 3.1Å
423Q88.6Confident84.5Confident20 Ų2032.3 Ų32.39%0.09316%0.16CC..Hα-helixtrans-67.5-36.3175.8-63.8-54.9-37.600112.5K78 K419 M420 L421 F425 K426K78-Q423 WeakPolarHBondContact O-CG 3.23Å; K78-Q423 PolarHBondContact O-NE2 2.9Å; K419-Q423 WeakPolarHBondContact O-CG 3.26Å; K419-Q423 PolarHBondContact O-N 3.23Å; K419-Q423 VanDerWaalsContact O-N 3.09Å; M420-Q423 PolarHBondContact O-N 3.43Å; L421-Q423 VanDerWaalsContact C-N 3.27Å; L421-Q423 PolarHBondContact O-N 3.44Å; Q423-F425 PolarHBondContact O-N 3.46Å; Q423-K426 PolarHBondContact O-N 3.47Å
424L88.8Confident81.9Confident0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-65-25.5178.5-171.463.1000112.8I156 L173 M420 L421 G594 V596I156-L424 HydrophobicContact CB-CD2 4.46Å; I156-L424 HydrophobicContact CD1-CD2 3.64Å; I156-L424 HydrophobicContact CG2-CD2 3.89Å; I156-L424 HydrophobicContact CG2-CG 4.26Å; L173-L424 HydrophobicContact CD2-CD2 3.61Å; M420-L424 PolarHBondContact O-N 3.12Å; L421-L424 HydrophobicContact CD2-CD2 4.48Å; L421-L424 WeakPolarHBondContact O-CA 3.45Å; L421-L424 WeakPolarHBondContact O-CB 3.37Å; L421-L424 PolarHBondContact O-N 3.25Å; L424-G594 PolarHBondContact O-N 2.66Å; L424-V596 HydrophobicContact CD1-CG1 3.94Å; L424-V596 HydrophobicContact CD2-CG1 4.32Å
425F86.1Confident79.1Confident12 Ų1244.7 Ų44.75%0.05322%0.222CC..THydrogen-bonded Turntrans-85.3-4.5177-85.2-102.5000114.6F157 R163 L165 F198 I208 F211 L421 R422 Q423F157-F425 HydrophobicContact CE1-CD1 4.14Å; F157-F425 AromaticContact CE1-CE1 3.69Å; F157-F425 HydrophobicContact CE1-CE1 3.69Å; F157-F425 HydrophobicContact CE1-CE2 4.16Å; F157-F425 AromaticContact CE1-CZ 3.74Å; F157-F425 HydrophobicContact CE1-CZ 3.74Å; F157-F425 AromaticContact CZ-CD1 3.94Å; F157-F425 HydrophobicContact CZ-CD1 3.94Å; F157-F425 HydrophobicContact CZ-CD2 4.35Å; F157-F425 AromaticContact CZ-CE1 3.99Å; F157-F425 HydrophobicContact CZ-CE1 3.99Å; F157-F425 HydrophobicContact CZ-CE2 4.42Å; F157-F425 HydrophobicContact CZ-CG 4.16Å; F157-F425 HydrophobicContact CZ-CZ 4.26Å; R163-F425 HydrophobicContact CB-CE1 4.47Å; R163-F425 PolarHBondContact NH1-O 3.39Å; L165-F425 HydrophobicContact CD1-CE2 3.59Å; L165-F425 HydrophobicContact CD1-CZ 3.42Å; L165-F425 VanDerWaalsContact CD1-CZ 3.42Å; L165-F425 HydrophobicContact CD2-CZ 4.43Å; L165-F425 HydrophobicContact CG-CE2 4.17Å; L165-F425 HydrophobicContact CG-CZ 3.69Å; F198-F425 HydrophobicContact CZ-CZ 4.31Å; I208-F425 HydrophobicContact CG1-CB 4.49Å; F211-F425 HydrophobicContact CD2-CD2 4.4Å; F211-F425 HydrophobicContact CD2-CG 4.41Å; F211-F425 HydrophobicContact CE2-CB 4.28Å; F211-F425 HydrophobicContact CE2-CD1 4.04Å; F211-F425 AromaticContact CE2-CD2 3.4Å; F211-F425 HydrophobicContact CE2-CD2 3.4Å; F211-F425 HydrophobicContact CE2-CE1 4.16Å; F211-F425 AromaticContact CE2-CE2 3.51Å; F211-F425 HydrophobicContact CE2-CE2 3.51Å; F211-F425 AromaticContact CE2-CG 3.64Å; F211-F425 HydrophobicContact CE2-CG 3.64Å; F211-F425 AromaticContact CE2-CZ 3.88Å; F211-F425 HydrophobicContact CE2-CZ 3.88Å; F211-F425 AromaticContact CZ-CD2 3.62Å; F211-F425 HydrophobicContact CZ-CD2 3.62Å; F211-F425 AromaticContact CZ-CE2 3.41Å; F211-F425 HydrophobicContact CZ-CE2 3.41Å; F211-F425 VanDerWaalsContact CZ-CE2 3.41Å; F211-F425 HydrophobicContact CZ-CG 4.33Å; F211-F425 HydrophobicContact CZ-CZ 4Å; L421-F425 VanDerWaalsContact O-CD2 3.29Å; L421-F425 WeakPolarHBondContact O-CD2 3.32Å; L421-F425 PolarHBondContact O-N 3.03Å; L421-F425 VanDerWaalsContact O-N 3.14Å; R422-F425 PolarHBondContact O-N 3.1Å; Q423-F425 PolarHBondContact O-N 3.46Å
426K85.1Confident75.9Confident64 Ų6447.9 Ų47.928%0.27825%0.245SC..SBendtrans-96.7138.4177.9-66.5-178.9179.5-168.90110.2Q423Q423-K426 PolarHBondContact O-N 3.47Å
427D83.7Confident72.8Confident74 Ų7453 Ų5340%0.39628%0.28SS..  trans-72147.5165.1-55.7-54.4000108.4R163 A593R163-D427 IonicContact CZ-OD1 2.92Å; R163-D427 IonicContact CZ-OD2 3.95Å; R163-D427 IonicContact NH1-OD2 3.86Å; R163-D427 VanDerWaalsContact NH2-CG 3.31Å; R163-D427 IonicContact NH2-OD1 3.24Å; R163-D427 PolarHBondContact NH2-OD1 2.83Å; R163-D427 IonicContact NH2-OD2 2.64Å; R163-D427 PolarHBondContact NH2-OD2 3.43Å; D427-A593 WeakPolarHBondContact OD1-CB 3.49Å; D427-A593 PolarHBondContact OD1-N 2.99Å
428L80.9Confident69.7Low26 Ų2660.2 Ų60.214%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-113.4115.4179.4177.978.2000108.7L430 S590 M591 Y682L428-L430 HydrophobicContact CD2-CD2 3.97Å; L428-L430 HydrophobicContact CG-CD2 4.35Å; L428-S590 CarbonylContact O-C 3.55Å; L428-S590 WeakPolarHBondContact O-CA 3.44Å; L428-M591 HydrophobicContact CB-CB 4.22Å; L428-M591 HydrophobicContact CD2-SD 4.19Å; L428-M591 PolarHBondContact N-O 3.08Å; L428-M591 PolarHBondContact O-N 3.49Å; L428-Y682 HydrophobicContact CD1-CD1 4.14Å; L428-Y682 HydrophobicContact CD1-CE1 4.07Å; L428-Y682 HydrophobicContact CD2-CD1 3.4Å; L428-Y682 HydrophobicContact CD2-CD2 4.29Å; L428-Y682 HydrophobicContact CD2-CE1 3.7Å; L428-Y682 HydrophobicContact CD2-CG 3.73Å; L428-Y682 HydrophobicContact CG-CD1 4.37Å; L428-Y682 HydrophobicContact CG-CE1 4.35Å
429D78.9Confident66.9Low117 Ų11768.4 Ų68.463%0.62636%0.357SS*.EExtended strand (participates in β ladder)trans-76.2124.1175.4-59.7-36.5000110.1
430L75.8Confident63.8Low0 Ų074.7 Ų74.70%039%0.392CS..EExtended strand (participates in β ladder)trans-107.9127.5175.5-61.9179.8000109.1D142 M145 D146 L428 S589 M591 Y682D142-L430 HydrophobicContact CB-CB 4.11Å; D142-L430 HydrophobicContact CB-CD2 4.26Å; M145-L430 HydrophobicContact CB-CD1 4.06Å; D146-L430 HydrophobicContact CB-CD1 3.86Å; L428-L430 HydrophobicContact CD2-CD2 3.97Å; L428-L430 HydrophobicContact CG-CD2 4.35Å; L430-S589 WeakPolarHBondContact CA-O 3.34Å; L430-S589 WeakPolarHBondContact CB-O 3.35Å; L430-S589 WeakPolarHBondContact CB-OG 3.25Å; L430-S589 PolarHBondContact N-O 2.85Å; L430-S589 PolarHBondContact O-N 2.92Å; L430-S589 VanDerWaalsContact O-O 3.06Å; L430-M591 HydrophobicContact CD1-CG 3.52Å; L430-M591 HydrophobicContact CD1-SD 3.84Å; L430-M591 HydrophobicContact CD2-SD 4.41Å; L430-M591 HydrophobicContact CG-CG 4.09Å; L430-M591 HydrophobicContact CG-SD 4.42Å; L430-Y682 HydrophobicContact CD2-CE2 3.83Å
431N70.7Confident60.5Low107 Ų10777.5 Ų77.557%0.57242%0.424SS*.EExtended strand (participates in β ladder)trans-120.199.6-174.4-71.5-43.7000110D142D142-N431 PolarHBondContact OD2-N 3.46Å
432Y59.9Low57.3Low19 Ų1983.9 Ų83.98%0.07546%0.463CS..  trans-136.9162.2178.271.1-90.3000113.5D142 D146 Q147 T434 S589D142-Y432 HydrophobicContact CB-CD1 4.04Å; D142-Y432 HydrophobicContact CB-CG 4.42Å; D146-Y432 HydrophobicContact CB-CE1 3.73Å; D146-Y432 PolarHBondContact OD2-OH 2.98Å; Q147-Y432 PolarHBondContact NE2-OH 3.28Å; Y432-T434 HydrophobicContact CD2-CG2 4.31Å; Y432-T434 HydrophobicContact CE2-CG2 3.82Å; Y432-S589 WeakPolarHBondContact CE1-OG 3.28Å
433M47.1Very low54.3Low95 Ų9586.6 Ų86.647%0.46849%0.489SS..  trans-112.4131.2179.7-73.1-67.1-139.400111.1Y586M433-Y586 HydrophobicContact CE-CD1 3.43Å; M433-Y586 VanDerWaalsContact CE-CD1 3.43Å; M433-Y586 HydrophobicContact CE-CD2 4.18Å; M433-Y586 HydrophobicContact CE-CE1 3.02Å; M433-Y586 HydrophobicContact CE-CE2 3.82Å; M433-Y586 HydrophobicContact CE-CG 4Å; M433-Y586 HydrophobicContact SD-CD1 3.8Å; M433-Y586 HydrophobicContact SD-CE1 4.03Å; M433-Y586 HydrophobicContact SD-CG 4.16Å
434T41.2Very low51.2Low67 Ų6791.4 Ų91.441%0.41153%0.525SS..  trans-100.3118.9169.338.90000110.8Y432Y432-T434 HydrophobicContact CD2-CG2 4.31Å; Y432-T434 HydrophobicContact CE2-CG2 3.82Å
435Q35.2Very low48.1Very low194 Ų19499.4 Ų99.491%0.90757%0.567SS**  trans-83.4111.4163.2-67.2-172.79.900108.8S437Q435-S437 PolarHBondContact O-N 3.01Å
436T27.9Very low45.2Very low108 Ų108108.6 Ų108.666%0.66361%0.607SS**  trans-76.8115.3162.946.90000107.7D438T436-D438 PolarHBondContact O-N 3.15Å
437S29.3Very low42.2Very low114 Ų114113 Ų11380%0.79763%0.633SS**  trans-70.989176.457.50000110.4Q435Q435-S437 PolarHBondContact O-N 3.01Å
438D27.3Very low39.3Very low151 Ų151118.5 Ų118.581%0.80765%0.649SS**  trans-98.1107.9154.9-80-29.1000107.6T436 N440T436-D438 PolarHBondContact O-N 3.15Å; D438-N440 PolarHBondContact O-N 3.42Å; D438-N440 VanDerWaalsContact O-N 3.17Å
439Q33.7Very low36.5Very low177 Ų177127 Ų12783%0.82769%0.685SS**  trans-64.1111.2165.2-69.4-171.7-7.700107.9
440N27.1Very low33.9Very low164 Ų164127.9 Ų127.988%0.87769%0.689SS**  trans165.1127.9133.4-82.2-25.4000110.6D438D438-N440 PolarHBondContact O-N 3.42Å; D438-N440 VanDerWaalsContact O-N 3.17Å
441G24.4Very low31.4Very low72 Ų72133.9 Ų133.974%0.74273%0.731SS**  trans12281.7161.700000116.3
442T23.5Very low29.3Very low133 Ų133131.6 Ų131.682%0.81673%0.733SS**  trans23.9111.7141.7-16.90000120.5
443S25.4Very low27.6Very low105 Ų105140.1 Ų140.173%0.73477%0.774SS**  trans45.3120141.867.40000121.4
444S23.2Very low26.6Very low121 Ų121140.2 Ų140.285%0.84678%0.784SS**  -167.3147.911846.70000112.8
445L22.9Very low25.8Very low168 Ų168148.2 Ų148.288%0.8881%0.808SS**PPolyproline II helixtrans-56.9147.4-175-9673.5000115.2
446F26.1Very low25.3Very low204 Ų204147.6 Ų147.690%0.89581%0.805SS**PPolyproline II helixtrans-68.5125.8164-79.7-90000112.1
447I22.8Very low25Very low158 Ų158146.8 Ų146.881%0.8181%0.81SS**PPolyproline II helixtrans-101.1118.2155.1-69-179.1000108.1
448Y22.2Very low24.9Very low188 Ų188147.6 Ų147.674%0.73781%0.812SS**PPolyproline II helixtrans-63125.4170.5-127.4-99.6000110.1N450Y448-N450 VanDerWaalsContact CD1-OD1 3.31Å; Y448-N450 WeakPolarHBondContact CD1-OD1 3.47Å; Y448-N450 WeakPolarHBondContact CE1-OD1 3.18Å
449K22.3Very low24.7Very low204 Ų204148.1 Ų148.189%0.88782%0.815SS**  trans-104.9100.3158-95.2-172.8176.1-179.70108.5
450N23.8Very low24.2Very low136 Ų136146 Ų14673%0.72782%0.815SS**  trans-71.7118.9161.8-83-22.3000108.6Y448 G452Y448-N450 VanDerWaalsContact CD1-OD1 3.31Å; Y448-N450 WeakPolarHBondContact CD1-OD1 3.47Å; Y448-N450 WeakPolarHBondContact CE1-OD1 3.18Å; N450-G452 PolarHBondContact O-N 3.42Å
451S24.1Very low24Very low126 Ų126141.5 Ų141.588%0.88181%0.807SS**  trans-90.383.7153.855.50000107.7
452G25.1Very low24Very low59 Ų59148.6 Ų148.661%0.60882%0.817SS**  trans-93.4110.3162.400000108.3N450 S454N450-G452 PolarHBondContact O-N 3.42Å; G452-S454 PolarHBondContact O-N 2.98Å
453E25.3Very low24Very low198 Ų198146 Ų14693%0.92582%0.816SS**  trans-65.1114.9160.9-72.3178.8160.900107.5
454S24.8Very low24Very low98 Ų98146.3 Ų146.369%0.68582%0.819SS**  trans-105.6119.5173.544.20000108.6G452 Q456G452-S454 PolarHBondContact O-N 2.98Å; S454-Q456 PolarHBondContact O-N 3.37Å
455Y24.5Very low24.1Very low234 Ų234148.2 Ų148.292%0.91882%0.818SS**  trans-65.1122.5155.8-73.8-88.5000107.8
456Q25.3Very low24.2Very low181 Ų181149.1 Ų149.185%0.84682%0.818SS**  trans-109.1113.1166.2-81.4-172.5-23.600109.6S454S454-Q456 PolarHBondContact O-N 3.37Å
457A22.6Very low24Very low92 Ų92150.5 Ų150.576%0.7682%0.817SS**  trans-81.1142.415000000108
458P26.3Very low24.4Very low130 Ų130148 Ų14884%0.84481%0.811SS**  trans-86.7135.1-178.932.7-29.1000110.2
459D22.6Very low24.4Very low162 Ų162148.6 Ų148.687%0.86681%0.813SS**  trans-120.2149.6171-134.3-14.1000111.5
460T23.4Very low24.6Very low134 Ų134146 Ų14682%0.82280%0.804SS**  trans-87.4148.2-161.3-52.80000111.8
461G22.6Very low24.6Very low69 Ų69145.7 Ų145.771%0.71180%0.802SS**  trans-176.398.6164.700000116.8
462K25.9Very low24.6Very low221 Ų221145.7 Ų145.796%0.96180%0.797SS**  trans33.8130.9147.2-59.5-175.9179.1-177.40118.8
463G22.4Very low24.5Very low77 Ų77148.9 Ų148.979%0.79481%0.805SS**  cis156.8143.56.200000109
464S24.9Very low24.5Very low113 Ų113144.8 Ų144.879%0.7979%0.793SS**  trans-162.9103.9156.357.10000110.8
465I25.9Very low24.5Very low160 Ų160148.3 Ų148.382%0.82180%0.799SS**  trans32.9109139.1-49.3173.8000117.7
466Q24.4Very low24.5Very low188 Ų188143.2 Ų143.288%0.87979%0.788SS**  -176.2126.7110.6-125.4158.7-6.200111.6
467R22.2Very low24.5Very low232 Ų232143 Ų14388%0.87578%0.784SS**  trans-76.2157.7163.1-94.5-176.3-176.4-179.81108.9
468P31.1Very low24.6Very low107 Ų107144.9 Ų144.970%0.69578%0.781SS**  -149.1163.761.529.7-5.3000118.1
469Y22.9Very low24.5Very low200 Ų200146.4 Ų146.478%0.78478%0.777SS**  trans46.5144.6139.3-77.5-101.6000119.5
470Q26.8Very low24.7Very low150 Ų150145.8 Ų145.870%0.70177%0.773SS**  cis-174.5148.323.7-148.9157.3-1.400109
471D23.2Very low24.8Very low128 Ų128148.2 Ų148.268%0.68478%0.775SS**  trans29.5150.3144-58.2-34.2000125.9
472T24Very low25Very low126 Ų126154.2 Ų154.277%0.77378%0.781SS**  trans78.1117.6142.230.20000119.1
473V23.4Very low25.1Very low126 Ų126149.9 Ų149.976%0.76478%0.776SS**  95.6144.974.4164.30000113
474V24.7Very low25.1Very low113 Ų113154.2 Ų154.269%0.68578%0.775SS**  trans85116169.3-158.20000115.5
475E24.7Very low25.1Very low172 Ų172155.3 Ų155.380%0.80478%0.777SS**  78.6143.358.8-139.9-176.1-150.600115.1
476N24.7Very low24.9Very low127 Ų127158 Ų15868%0.67978%0.779SS**  trans92.8119.7174.1-56.4-40.7000117.2
477K25.3Very low24.8Very low177 Ų177156.1 Ų156.177%0.7777%0.774SS**  85.4136.651.5-92.6-162.5174.6-174.70115
478D24.4Very low24.8Very low131 Ų131154.1 Ų154.170%0.70177%0.771SS**  trans75.3149.2161.2-53.9-20.1000116.4
479E25.4Very low24.4Very low161 Ų161154.2 Ų154.275%0.75277%0.77SS**  cis-169.8141.6-15.5-117.4-175.9161.100104.9
480L26.6Very low24.3Very low149 Ų149152.9 Ų152.978%0.7877%0.77SS**  trans55.1121.4134.6-131102.1000120.6
481E24.8Very low24.1Very low185 Ų185149.8 Ų149.886%0.86477%0.766SS**  179.1139.7120.7-99.1179.8-177.400112.3
482K27.1Very low24.1Very low195 Ų195150.6 Ų150.685%0.84877%0.77SS**  trans-89.4161.3169.9-71.9178.1176.5174.40109.6
483P27.9Very low24.1Very low130 Ų130153.2 Ų153.284%0.84478%0.778SS**  -140.8160.8109.627.6-9000115.3
484Q22.8Very low24Very low168 Ų168152.4 Ų152.479%0.78577%0.773SS**  trans-74.3155.4176.8-64.7171.8-32.100112.8
485T24.3Very low24Very low136 Ų136153.3 Ų153.383%0.83477%0.773SS**  trans-158.7107.7145.730000113.4
486Y23.2Very low23.9Very low217 Ų217151 Ų15185%0.85178%0.775SS**  trans38.1130.4140-77.1-88.7000125.7
487L22.1Very low23.7Very low149 Ų149151.6 Ų151.678%0.7878%0.779SS**  trans-55.8156161.2-83.6106.7000115.7
488K21.7Very low23.7Very low189 Ų189150 Ų15082%0.82278%0.784SS**  -161.6131.3122.4-115174.1-175.6178.90115.1
489V22.2Very low23.6Very low109 Ų109152 Ų15266%0.66179%0.789SS**  trans-75.3146.6164.8171.20000109.4
490H21.8Very low23.6Very low172 Ų172151.9 Ų151.980%0.79679%0.793SS**  trans-142.6127.6154-86.8-63.4000112.7
491S21.8Very low23.4Very low86 Ų86152.4 Ų152.460%0.60179%0.791SS**  trans-110.2152.9168.951.50000110
492N22.6Very low23.3Very low145 Ų145148.8 Ų148.878%0.77578%0.782SS**  trans84.1124.5156.5-56.9-16.9000119.8
493L23.6Very low23Very low180 Ų180149.8 Ų149.894%0.94278%0.782SS**  trans-136.5134.5153.2-116147000107.4
494V22.9Very low22.9Very low110 Ų110149.5 Ų149.567%0.66777%0.772SS**  trans-131.3131.1-165.9157.50000108.9
495I24.1Very low23Very low132 Ų132147.4 Ų147.468%0.67777%0.773SS**  trans72126.6149.2-61.7165.1000121.5
496S21.9Very low22.9Very low122 Ų122150.2 Ų150.285%0.85377%0.769SS**  -150.4137.1120.9-390000110.7
497D22Very low23Very low141 Ų141144.6 Ų144.675%0.75476%0.762SS**  trans-65.5157.3-176.4-58.3-65.8000115.8
498V24.3Very low23Very low144 Ų144143.5 Ų143.587%0.87376%0.761SS**  -163.8137.6123.3168.90000109.2
499E22.1Very low23.8Very low172 Ų172139.8 Ų139.880%0.80476%0.756SS**  trans-63.3154.1-174.7-60.5162.4142.400116.2
500L25.2Very low23.9Very low159 Ų159141.5 Ų141.583%0.83277%0.768SS**  -178.499.8124.6-95.9156.8000112.3
501E22.4Very low24Very low160 Ų160140.1 Ų140.175%0.74877%0.766SS**  trans44.3120.3133.1-69.1-168.1153.900124.5
502T22.5Very low24.1Very low109 Ų109141.4 Ų141.467%0.66977%0.771SS**  69.9112.1128.365.40000120.5
503Y22.3Very low24.3Very low215 Ų215143.7 Ų143.784%0.84377%0.774SS**  -179.6125.995.5-118.4-95.6000110.6
504I25Very low24.4Very low125 Ų125143.2 Ų143.264%0.64177%0.767SS**  trans-112.2154.1162.8-59.6168000106.2Y506I504-Y506 HydrophobicContact CG2-CD2 3.56Å; I504-Y506 HydrophobicContact CG2-CE2 4.19Å; I504-Y506 HydrophobicContact CG2-CG 4.39Å; I504-Y506 VanDerWaalsContact CG2-N 3.25Å
505P24.6Very low24.5Very low124 Ų124144.2 Ų144.281%0.80577%0.774SS**  -135.8128.1116.322.7-3.9000113.8
506Y21.7Very low24.5Very low195 Ų195145 Ų14577%0.76578%0.779SS**  trans-74.7151.2150.7-82-86.5000107.8I504I504-Y506 HydrophobicContact CG2-CD2 3.56Å; I504-Y506 HydrophobicContact CG2-CE2 4.19Å; I504-Y506 HydrophobicContact CG2-CG 4.39Å; I504-Y506 VanDerWaalsContact CG2-N 3.25Å
507S25.6Very low24.7Very low99 Ų99146.4 Ų146.469%0.69277%0.772SS**  169126.98337.50000106.3
508T23Very low24.8Very low125 Ų125145.1 Ų145.177%0.76777%0.77SS**  64.8161.779.969.90000114.7
509P38.8Very low24.8Very low111 Ų111144.4 Ų144.472%0.72176%0.76SS**  -126.2173.1-98.826.8-2.9000112.6
510T24.1Very low24.9Very low146 Ų146144.7 Ų144.790%0.89676%0.759SS**  trans-165.3154.1152.5-5.60000114
511D22.8Very low24.7Very low142 Ų142142.4 Ų142.476%0.75975%0.754SS**  trans-80.2171.3-161.8-75.7-58.2000118.4
512T24.5Very low24.8Very low114 Ų114142.3 Ų142.370%0.69976%0.758SS**  trans93.1125.6139.239.50000122.3
513F27.1Very low24.7Very low192 Ų192142 Ų14284%0.84276%0.761SS**  trans132.3139.6138.7-74-71.5000116.7
514Q24.6Very low24.9Very low170 Ų170139.5 Ų139.579%0.79476%0.761SS**  trans-84.4-175.9-163.3-68.9173.3-49.500114.9
515T25.2Very low24.8Very low132 Ų132142.4 Ų142.481%0.8177%0.772SS**  trans88.5139.5158.864.30000115.6
516D25.2Very low24.8Very low147 Ų147146.4 Ų146.479%0.78677%0.771SS**  cis-170.4178.9-17.7-157.7-12.5000104.9
517E25.7Very low24.9Very low153 Ų153144.9 Ų144.972%0.71578%0.776SS**  trans90.5102.3152.4-76.6-169.8167.900121.9
518T23.9Very low24.8Very low114 Ų114150.6 Ų150.670%0.69978%0.782SS**  64.3148.8121.256.10000120.8
519L25.5Very low24.8Very low128 Ų128153 Ų15367%0.6779%0.789SS**  cis-169147.518.8-114.6152.5000108.7
520K23.3Very low24Very low179 Ų179152.9 Ų152.978%0.77879%0.787SS**  trans29.2126.5143.6-70.3171.7-160.1167.60120.2
521C21.6Very low24Very low110 Ų110153.3 Ų153.374%0.74378%0.784SS**  67.9135.556.6-136.60000115.7
522L23Very low24.1Very low158 Ų158153 Ų15383%0.82778%0.782SS**  trans83.9145.2168.8-51.3173.6000115.8
523S22.2Very low24.2Very low103 Ų103158.1 Ų158.172%0.7279%0.79SS**  cis-178.8157.4-6.744.80000108.3
524L25Very low24.3Very low162 Ų162157 Ų15785%0.84879%0.787SS**  trans22.5129.8145.2-121.388.6000119.9
525E23.3Very low24.6Very low186 Ų186154.9 Ų154.987%0.86979%0.789SS**  -166.4147.8115.2-111.4176.2-172.100114.8
526R24Very low24.5Very low208 Ų208155.9 Ų155.979%0.78579%0.788SS**  trans-92.2140.9179165.4-166.5-73166-4.6107.3
527N24.2Very low24.5Very low163 Ų163157.1 Ų157.187%0.87279%0.794SS**  trans-149.2132.6147.8-95.1-31.3000112.6
528R23.5Very low24.4Very low219 Ų219158.3 Ų158.383%0.82680%0.797SS**  trans-74.4155172.2-66.4172.1175.1172-2.6109.3
529L23.9Very low24.3Very low175 Ų175158.9 Ų158.992%0.91680%0.795SS**  trans-164.6142.3136.2-100.8154.7000110.1
530T22.3Very low24.2Very low110 Ų110159.9 Ų159.968%0.67580%0.801SS**  trans-76.5152.8-176.638.70000112.7
531D23.8Very low24.3Very low154 Ų154155.9 Ų155.982%0.82480%0.796SS**  170.7150.2112.7-91.4-11.2000113.4
532D24.5Very low24.5Very low135 Ų135157.1 Ų157.172%0.72280%0.8SS**  trans-64.8160.2-175.8-70.9-53.4000115.8
533Y26.3Very low24.5Very low222 Ų222154 Ų15487%0.87180%0.798SS**  150122.2122.1-92.8-84.4000113.4
534E28.5Very low24.7Very low168 Ų168160.1 Ų160.179%0.78581%0.807SS**  trans-70.2158.7150.8-86-172.9154.800110.2
535P30.9Very low24.7Very low126 Ų126158.2 Ų158.282%0.81881%0.807SS**  -145.9155104.732.6-14.4000116.6
536L24.6Very low24.8Very low153 Ų153155.6 Ų155.680%0.80180%0.804SS**  trans-47.6147.1162.5-69.1148.8000114.8
537L24.5Very low24.8Very low173 Ų173157.6 Ų157.691%0.90681%0.811SS**  trans-154.7133142.3-123.9130000114.3
538K22.5Very low24.8Very low178 Ų178153.3 Ų153.377%0.77481%0.806SS**  trans-70.2157.3174.4-76.7167.9160.4171.20113.1
539N23.6Very low25Very low126 Ų126151 Ų15167%0.67481%0.81SS**  161122.1120.3-82.1-19.9000109.5
540N23.6Very low25Very low149 Ų149152.3 Ų152.380%0.79781%0.808SS**  56.9131.590.3-64.4-11.3000111.7
541S25.1Very low25.3Very low95 Ų95159 Ų15966%0.66482%0.821SS**  cis177.4162.920.242.40000109
542T24.2Very low25.3Very low136 Ų136158.4 Ų158.483%0.83482%0.816SS**  trans63148.2143.446.40000119.2
543A24.3Very low25.4Very low94 Ų94159.6 Ų159.678%0.77782%0.823SS**  cis-161.3167.914.300000110.3
544Y25.6Very low25.3Very low230 Ų230156.3 Ų156.390%0.90282%0.818SS**  trans-65.1151.7170.8-83.1-100000114.4
545S25.3Very low24.9Very low122 Ų122153.1 Ų153.185%0.85382%0.815SS**  trans-155.3148.9140.575.90000113.1
546T25.1Very low24.8Very low132 Ų132158.1 Ų158.181%0.8182%0.819SS**  trans-100.5156.4-164.1-40.80000112.4
547R24.9Very low24.8Very low249 Ų249159 Ų15994%0.9482%0.819SS**  trans107.9129142.4-155.4178.9-162.4-171.34.4118.3
548G22.8Very low24.8Very low73 Ų73157.9 Ų157.975%0.75381%0.814SS**  trans133.2101.4141.900000117.1
549N28.2Very low24.9Very low170 Ų170157.6 Ų157.691%0.90982%0.82SS**  trans-55141.7171.4-82.8-20.2000114.1
550K24.1Very low24.9Very low203 Ų203160.6 Ų160.688%0.88383%0.83SS**  trans-157.2129.7137.5-106.6175.6-172.4-177.60110.5
551R29.3Very low25Very low252 Ų252159.3 Ų159.395%0.95183%0.827SS**  trans-80.2115.3177.6-173-165-109.9-165-3.4108.3
552I24.4Very low24.9Very low140 Ų140160.7 Ų160.772%0.71883%0.832SS**  trans-146.7124.3164.2-61.5-175.2000108.1I554I552-I554 HydrophobicContact CG2-CG1 4.41Å; I552-I554 PolarHBondContact O-N 2.99Å
553D26.2Very low24.9Very low161 Ų161161.6 Ų161.686%0.86183%0.832SS**  trans-52.1123.6165.9-86-43.1000111.2
554I22.8Very low25.1Very low152 Ų152164.5 Ų164.578%0.77983%0.832SS**  trans-142.7132.4155.7-57.4-176.8000110.1I552I552-I554 HydrophobicContact CG2-CG1 4.41Å; I552-I554 PolarHBondContact O-N 2.99Å
555S21.9Very low25.1Very low102 Ų102160.4 Ų160.471%0.71383%0.832SS**  trans-38.9154171.746.50000117.7E557S555-E557 PolarHBondContact O-N 3.29Å
556Y28.6Very low25.2Very low231 Ų231157.5 Ų157.591%0.90682%0.821SS**  trans-40.9123.8165.4-80.1-98.7000113.5
557E25Very low25.7Very low172 Ų172161.3 Ų161.380%0.80483%0.826SS**  trans-173.9146.7134.7-106.3170.7-173.700109.7S555S555-E557 PolarHBondContact O-N 3.29Å
558N22.8Very low26.2Very low149 Ų149151.8 Ų151.880%0.79781%0.806SS**  trans92.182.5171.8-48.5-50.6000117.4
559L25.5Very low27Very low172 Ų172153.8 Ų153.890%0.90181%0.808SS**  trans-96.6106.6150.8-128.5110.9000108.4V561L559-V561 PolarHBondContact O-N 2.95Å; L559-V561 VanDerWaalsContact O-N 3.15Å
560Q22.6Very low28Very low189 Ų189148.1 Ų148.188%0.88378%0.777SS**  trans-66.3109.4171.2-74.4-177.6-10.300109.5T562Q560-T562 PolarHBondContact O-N 2.87Å
561V26Very low29.3Very low121 Ų121142.8 Ų142.873%0.73376%0.757SS**  trans-64.3122.4164.8173.40000107.7L559 N563L559-V561 PolarHBondContact O-N 2.95Å; L559-V561 VanDerWaalsContact O-N 3.15Å; V561-N563 PolarHBondContact O-N 3.22Å
562T23.8Very low30.5Very low124 Ų124135.5 Ų135.576%0.76174%0.743SS**  trans-56.3114.5166.440.10000109Q560 I564Q560-T562 PolarHBondContact O-N 2.87Å; T562-I564 PolarHBondContact O-N 3.48Å
563N24Very low32Very low156 Ų156130.2 Ų130.283%0.83472%0.717SS**  trans-50.3106.3178.3-76.5-35.2000111.4V561V561-N563 PolarHBondContact O-N 3.22Å
564I27.5Very low32.6Very low154 Ų154127.4 Ų127.479%0.7971%0.71SS**  trans-81.1109.4155.4-59.5173.6000104.9T562 G566T562-I564 PolarHBondContact O-N 3.48Å; I564-G566 PolarHBondContact O-N 3.22Å
565T27.1Very low33Very low145 Ų145123.2 Ų123.289%0.8969%0.693SS**SBendtrans-60.7103.8173.234.80000109.8
566G27.1Very low33.5Very low61 Ų61127 Ų12763%0.62970%0.697SS**SBendtrans142.396175.400000111.6I564 G568I564-G566 PolarHBondContact O-N 3.22Å; G566-G568 PolarHBondContact O-N 3.04Å
567K36.2Very low33.3Very low211 Ų211124.2 Ų124.292%0.91770%0.697SS**  trans-47.7123.5-173.9-79.5173.4172.2176.10114.2
568G34.5Very low33.5Very low50 Ų50123.3 Ų123.352%0.51569%0.693SS.*  trans165.896.1164.200000110.3G566 M570G566-G568 PolarHBondContact O-N 3.04Å; G568-M570 PolarHBondContact O-N 3.43Å
569S39.7Very low33.5Very low114 Ų114123.6 Ų123.680%0.79769%0.694SS**  trans-72.9109176.559.20000109.5
570M49.6Very low33.5Very low52 Ų52125.1 Ų125.126%0.25670%0.699SS.*PPolyproline II helixtrans-71.4130.5169-72179.9176.600109.4S169 L172 G568 L675S169-M570 VanDerWaalsContact CB-CE 3.47Å; S169-M570 WeakPolarHBondContact OG-CE 3.42Å; L172-M570 HydrophobicContact CD1-CE 4.02Å; G568-M570 PolarHBondContact O-N 3.43Å; M570-L675 HydrophobicContact CE-CD1 3.4Å; M570-L675 VanDerWaalsContact CE-CD1 3.4Å; M570-L675 HydrophobicContact SD-CD1 3.83Å; M570-L675 HydrophobicContact SD-CD2 4.47Å
571L50.7Low33.6Very low90 Ų90119 Ų11947%0.47169%0.688SS.*PPolyproline II helixtrans-84.6135.4179.6-68.2167.8000109.7S155S155-L571 PolarHBondContact N-O 3.26Å; S155-L571 VanDerWaalsContact N-O 3.12Å
572P55.2Low33.9Very low99 Ų99118.7 Ų118.764%0.64370%0.697SS**BIsolated β-bridgetrans-59.7140.4165.225.3-30.7000109.1S574P572-S574 PolarHBondContact O-N 2.93Å; P572-S574 VanDerWaalsContact O-N 3.12Å
573V55.2Low34.2Very low29 Ų29117.1 Ų117.118%0.17669%0.691CS.*  trans-66.4114.1177.21780000108.1F153 C575 P592F153-V573 HydrophobicContact CB-CB 4.42Å; F153-V573 HydrophobicContact CB-CG2 4.02Å; F153-V573 PolarHBondContact O-N 3.49Å; V573-C575 PolarHBondContact O-N 3.39Å; V573-P592 HydrophobicContact CG1-CG 3.55Å
574S38.7Very low35Very low103 Ų103119.2 Ų119.272%0.7270%0.696SS**  trans-73.587.6175.461.90000109.7P572 K576P572-S574 PolarHBondContact O-N 2.93Å; P572-S574 VanDerWaalsContact O-N 3.12Å; S574-K576 PolarHBondContact O-N 3.18Å
575C32.7Very low35.3Very low63 Ų63114.9 Ų114.943%0.42668%0.68SS.*  trans-70.7123.9167.5-82.30000109.3V573 L577V573-C575 PolarHBondContact O-N 3.39Å; C575-L577 PolarHBondContact O-N 3.49Å
576K30.9Very low36Very low183 Ų183117.4 Ų117.480%0.79667%0.674SS**  trans-62.3120.4180-69.5176179173.60109.5S574 Q578S574-K576 PolarHBondContact O-N 3.18Å; K576-Q578 PolarHBondContact O-N 3.37Å
577L24.5Very low36.9Very low171 Ų171118.4 Ų118.490%0.89566%0.664SS**  trans-77.397.5160.4-158.282.1000106.7C575C575-L577 PolarHBondContact O-N 3.49Å
578Q28.7Very low37.7Very low153 Ų153113 Ų11372%0.71565%0.653SS**  trans-85.8132.6170.7-85.1-175.8-10.200110.2K576K576-Q578 PolarHBondContact O-N 3.37Å
579N22.7Very low39.2Very low156 Ų156111.5 Ų111.583%0.83464%0.635SS**  trans-58.4138-178.1-74.7-29.9000112.3G581N579-G581 PolarHBondContact O-N 2.92Å; N579-G581 VanDerWaalsContact O-N 3.09Å
580M27Very low40.9Very low203 Ų203109.5 Ų109.5100%162%0.621SS**  trans-58.5108.5170.7-78.6172.281.400110.4
581G24Very low42.4Very low62 Ų62107.2 Ų107.264%0.63961%0.61SS**  trans-116.112316000000108.6N579 S583N579-G581 PolarHBondContact O-N 2.92Å; N579-G581 VanDerWaalsContact O-N 3.09Å; G581-S583 PolarHBondContact O-N 3.44Å; G581-S583 VanDerWaalsContact O-N 3.12Å
582A32.6Very low43.8Very low113 Ų113104.8 Ų104.893%0.93460%0.599SS**  trans-66.1106.3-175.900000111.8
583S29.1Very low45.3Very low91 Ų91100.5 Ų100.564%0.63657%0.572SS**SBendtrans-164134.5153.953.10000108.8G581 S585G581-S583 PolarHBondContact O-N 3.44Å; G581-S583 VanDerWaalsContact O-N 3.12Å; S583-S585 PolarHBondContact O-N 3.2Å; S583-S585 PolarHBondContact O-OG 2.94Å; S583-S585 VanDerWaalsContact O-OG 3.06Å
584Q41.1Very low46.8Very low201 Ų20199.1 Ų99.194%0.93956%0.564SS**  trans-55.4104.4172-77.7176.1-14.800108.5
585S33.7Very low49.3Very low63 Ų6394.3 Ų94.344%0.44153%0.53SS..  trans-131.1129.6-173.846.60000109.4S583 L587S583-S585 PolarHBondContact O-N 3.2Å; S583-S585 PolarHBondContact O-OG 2.94Å; S583-S585 VanDerWaalsContact O-OG 3.06Å; S585-L587 PolarHBondContact O-N 3.37Å
586Y41.9Very low52.2Low198 Ų19891.3 Ų91.378%0.77651%0.51SS*.  trans-58.4101.6166.3-73.7-106.5000107.4M433 S588M433-Y586 HydrophobicContact CE-CD1 3.43Å; M433-Y586 VanDerWaalsContact CE-CD1 3.43Å; M433-Y586 HydrophobicContact CE-CD2 4.18Å; M433-Y586 HydrophobicContact CE-CE1 3.02Å; M433-Y586 HydrophobicContact CE-CE2 3.82Å; M433-Y586 HydrophobicContact CE-CG 4Å; M433-Y586 HydrophobicContact SD-CD1 3.8Å; M433-Y586 HydrophobicContact SD-CE1 4.03Å; M433-Y586 HydrophobicContact SD-CG 4.16Å; Y586-S588 PolarHBondContact O-N 3.24Å
587L46.9Very low55.1Low81 Ų8182.8 Ų82.842%0.42447%0.473SS..  trans-80.697.1174.4-82.8155.4000107.9S585 S589S585-L587 PolarHBondContact O-N 3.37Å; L587-S589 PolarHBondContact O-N 2.9Å
588S51.9Low58.3Low97 Ų9776 Ų7668%0.67844%0.44SS*.EExtended strand (participates in β ladder)trans-76.2114.1160.347.60000107.2Y586Y586-S588 PolarHBondContact O-N 3.24Å
589S67.1Low61.3Low20 Ų2069.6 Ų69.614%0.1441%0.411CS..EExtended strand (participates in β ladder)trans-105.1141.7172.260.60000107.5D146 L430 Y432 L587D146-S589 VanDerWaalsContact CG-OG 3.31Å; L430-S589 WeakPolarHBondContact CA-O 3.34Å; L430-S589 WeakPolarHBondContact CB-O 3.35Å; L430-S589 WeakPolarHBondContact CB-OG 3.25Å; L430-S589 PolarHBondContact N-O 2.85Å; L430-S589 PolarHBondContact O-N 2.92Å; L430-S589 VanDerWaalsContact O-O 3.06Å; Y432-S589 WeakPolarHBondContact CE1-OG 3.28Å; L587-S589 PolarHBondContact O-N 2.9Å
590S74.1Confident64.3Low72 Ų7262.3 Ų62.350%0.50337%0.372SS..EExtended strand (participates in β ladder)trans-114.3126.8172.759.40000109.2L428L428-S590 CarbonylContact O-C 3.55Å; L428-S590 WeakPolarHBondContact O-CA 3.44Å
591M80.9Confident67.4Low4 Ų452.8 Ų52.82%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-71.8125167.7-77.1-175.957.500108.4M145 F153 L428 L430 C595 V678M145-M591 HydrophobicContact CB-SD 4.17Å; M145-M591 HydrophobicContact CE-CE 3.84Å; M145-M591 HydrophobicContact CE-SD 3.62Å; F153-M591 HydrophobicContact CD2-CE 3.79Å; F153-M591 HydrophobicContact CE2-CE 3.14Å; F153-M591 HydrophobicContact CE2-SD 4.09Å; F153-M591 HydrophobicContact CZ-CE 3.8Å; L428-M591 HydrophobicContact CB-CB 4.22Å; L428-M591 HydrophobicContact CD2-SD 4.19Å; L428-M591 PolarHBondContact N-O 3.08Å; L428-M591 PolarHBondContact O-N 3.49Å; L430-M591 HydrophobicContact CD1-CG 3.52Å; L430-M591 HydrophobicContact CD1-SD 3.84Å; L430-M591 HydrophobicContact CD2-SD 4.41Å; L430-M591 HydrophobicContact CG-CG 4.09Å; L430-M591 HydrophobicContact CG-SD 4.42Å; M591-C595 HydrophobicContact CE-CB 4.35Å; M591-V678 HydrophobicContact CE-CB 4.43Å; M591-V678 HydrophobicContact CE-CG1 3.61Å
592P81.9Confident70.6Confident38 Ų3850.2 Ų50.225%0.24730%0.298CS..PPolyproline II helixtrans-67.1145.2-177.126.1-31.4000110.4V573 C595V573-P592 HydrophobicContact CG1-CG 3.55Å; P592-C595 PolarHBondContact O-SG 3.34Å
593A85.8Confident73.6Confident9 Ų945 Ų457%0.07425%0.254CS..THydrogen-bonded Turntrans-51.2148.6168.800000111F157 D427F157-A593 VanDerWaalsContact CE2-C 3.46Å; F157-A593 HydrophobicContact CE2-CB 3.9Å; F157-A593 WeakPolarHBondContact CE2-O 3.49Å; D427-A593 WeakPolarHBondContact OD1-CB 3.49Å; D427-A593 PolarHBondContact OD1-N 2.99Å
594G87.1Confident76.7Confident1 Ų140.8 Ų40.81%0.0123%0.225CC..THydrogen-bonded Turntrans87.36174.700000115.8I156 L424 V596I156-G594 WeakPolarHBondContact CG2-O 3.44Å; I156-G594 PolarHBondContact N-O 3.24Å; L424-G594 PolarHBondContact O-N 2.66Å; G594-V596 PolarHBondContact O-N 3.44Å
595C91.3Very high79.3Confident1 Ų131.2 Ų31.21%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-64.5121.6175.9-71.50000111.9F153 L154 M591 P592 V678F153-C595 HydrophobicContact CB-CB 4.35Å; F153-C595 HydrophobicContact CD2-CB 4.16Å; F153-C595 HydrophobicContact CG-CB 4.34Å; L154-C595 WeakPolarHBondContact O-CA 3.29Å; M591-C595 HydrophobicContact CE-CB 4.35Å; P592-C595 PolarHBondContact O-SG 3.34Å; C595-V678 HydrophobicContact CB-CB 3.97Å; C595-V678 HydrophobicContact CB-CG2 4.14Å; C595-V678 PolarHBondContact O-N 3.37Å
596V93.1Very high82.2Confident0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-131.8157.1178.4-63.70000111.6L154 I156 L424 G594 L675 E676L154-V596 HydrophobicContact CB-CG2 3.92Å; L154-V596 PolarHBondContact N-O 2.99Å; L154-V596 WeakPolarHBondContact O-CG2 3.4Å; L154-V596 PolarHBondContact O-N 2.73Å; I156-V596 HydrophobicContact CB-CG1 4.01Å; I156-V596 HydrophobicContact CB-CG2 4.3Å; I156-V596 HydrophobicContact CD1-CG1 4.45Å; L424-V596 HydrophobicContact CD1-CG1 3.94Å; L424-V596 HydrophobicContact CD2-CG1 4.32Å; G594-V596 PolarHBondContact O-N 3.44Å; V596-L675 HydrophobicContact CB-CB 4.34Å; V596-L675 HydrophobicContact CG2-CD1 3.99Å; V596-L675 HydrophobicContact CG2-CD2 4.12Å; V596-L675 HydrophobicContact CG2-CG 4.47Å; V596-E676 CarbonylContact C-O 3.59Å; V596-E676 VanDerWaalsContact CA-O 3.24Å; V596-E676 WeakPolarHBondContact CA-O 3.5Å; V596-E676 WeakPolarHBondContact CB-O 3.24Å
597L92.8Very high84.7Confident4 Ų418.8 Ų18.82%0.02112%0.122CC..EExtended strand (participates in β ladder)trans-129.2155.6173.6-79.6171.3000110.9H152 F153 F603 L606 L675 E676 V678H152-L597 HydrophobicContact CB-CD2 4.15Å; H152-L597 WeakPolarHBondContact O-CD2 3.43Å; F153-L597 HydrophobicContact CD1-CD1 4.19Å; F153-L597 HydrophobicContact CD1-CD2 4.08Å; F153-L597 HydrophobicContact CD1-CG 4.05Å; F153-L597 HydrophobicContact CE1-CD1 4.13Å; F153-L597 HydrophobicContact CE1-CG 4.49Å; L597-F603 HydrophobicContact CD1-CB 4.01Å; L597-F603 HydrophobicContact CD1-CD2 3.82Å; L597-F603 HydrophobicContact CD1-CG 4.43Å; L597-L606 HydrophobicContact CD1-CD1 4.17Å; L597-L606 HydrophobicContact CD2-CD1 4.27Å; L597-L675 CarbonylContact O-C 3.6Å; L597-L675 WeakPolarHBondContact O-CA 3.24Å; L597-E676 HydrophobicContact CB-CG 4.34Å; L597-E676 PolarHBondContact N-O 3.01Å; L597-E676 PolarHBondContact O-N 3.15Å; L597-V678 HydrophobicContact CB-CG2 4.31Å; L597-V678 HydrophobicContact CD1-CG2 3.89Å; L597-V678 HydrophobicContact CG-CG2 3.7Å
598P91.7Very high87.1Confident30 Ų3015.1 Ų15.120%0.19510%0.103CC..EExtended strand (participates in β ladder)trans-61.3137.7169-19.531.8000110.9L154 N602L154-P598 HydrophobicContact CD1-CG 4.33Å; P598-N602 PolarHBondContact O-ND2 3.34Å
599V90.4Very high89.1Confident17 Ų1712.5 Ų12.510%0.1038%0.078CC..SBendtrans-64.2169.7177.2-63.60000112.7A176 N602 S670 Q672 G674 L675 E676A176-V599 HydrophobicContact CB-CG1 3.69Å; V599-N602 PolarHBondContact O-ND2 2.9Å; V599-S670 PolarHBondContact O-OG 3.38Å; V599-Q672 HydrophobicContact CG2-CB 3.71Å; V599-G674 PolarHBondContact N-O 2.82Å; V599-G674 VanDerWaalsContact N-O 3.14Å; V599-L675 VanDerWaalsContact CG1-C 3.48Å; V599-L675 WeakPolarHBondContact CG1-O 3.48Å; V599-E676 HydrophobicContact CG1-CB 4.1Å; V599-E676 HydrophobicContact CG1-CG 4.34Å
600G87.1Confident90.4Very high3 Ų313.1 Ų13.13%0.0318%0.078CC..SBendtrans111.920.9171.700000114.5Y642G600-Y642 VanDerWaalsContact O-CE2 3.3Å; G600-Y642 WeakPolarHBondContact O-CE2 3.39Å; G600-Y642 PolarHBondContact O-OH 3.2Å
601G90.7Very high91.3Very high4 Ų49.7 Ų9.74%0.0415%0.054CC..SBendtrans83.717.2-178.700000113.8E604 I605G601-E604 VanDerWaalsContact CA-OE2 3.22Å; G601-E604 WeakPolarHBondContact CA-OE2 3.37Å; G601-E604 PolarHBondContact O-N 2.88Å; G601-I605 WeakPolarHBondContact O-CD1 3.45Å; G601-I605 VanDerWaalsContact O-CG1 3.23Å; G601-I605 WeakPolarHBondContact O-CG1 3.38Å; G601-I605 PolarHBondContact O-N 2.99Å
602N92.1Very high91.8Very high7 Ų711.5 Ų11.54%0.0376%0.063CC..Hα-helixtrans-67.8-39.9-176.5-69.1-39.9000111.6P598 V599 E604 I605 L606P598-N602 PolarHBondContact O-ND2 3.34Å; V599-N602 PolarHBondContact O-ND2 2.9Å; N602-E604 VanDerWaalsContact C-N 3.32Å; N602-E604 PolarHBondContact O-N 3.38Å; N602-I605 PolarHBondContact O-N 3.43Å; N602-L606 VanDerWaalsContact O-CB 3.28Å; N602-L606 WeakPolarHBondContact O-CB 3.29Å; N602-L606 VanDerWaalsContact O-CG 3.25Å; N602-L606 WeakPolarHBondContact O-CG 3.35Å; N602-L606 PolarHBondContact O-N 2.96Å
603F94.3Very high92.1Very high4 Ų411.8 Ų11.82%0.0186%0.063CC..Hα-helixtrans-56.5-48175.1179-92.2000111.3M145 L149 L597 I605 L606 L607 V678 K681M145-F603 HydrophobicContact CE-CE2 4.07Å; M145-F603 HydrophobicContact SD-CE2 4.03Å; M145-F603 HydrophobicContact SD-CZ 4.12Å; L149-F603 HydrophobicContact CD2-CD2 4.29Å; L149-F603 HydrophobicContact CD2-CE2 3.92Å; L149-F603 HydrophobicContact CD2-CZ 4.49Å; L597-F603 HydrophobicContact CD1-CB 4.01Å; L597-F603 HydrophobicContact CD1-CD2 3.82Å; L597-F603 HydrophobicContact CD1-CG 4.43Å; F603-I605 PolarHBondContact O-N 3.17Å; F603-L606 PolarHBondContact O-N 3.44Å; F603-L607 HydrophobicContact CE1-CD2 4.01Å; F603-L607 HydrophobicContact CZ-CD2 4.21Å; F603-L607 WeakPolarHBondContact O-CB 3.39Å; F603-L607 PolarHBondContact O-N 3.4Å; F603-V678 HydrophobicContact CE2-CG1 4.2Å; F603-K681 HydrophobicContact CB-CG 4.32Å; F603-K681 HydrophobicContact CD1-CB 3.71Å; F603-K681 HydrophobicContact CD1-CD 4.1Å; F603-K681 HydrophobicContact CD1-CG 4.04Å; F603-K681 HydrophobicContact CD2-CB 3.96Å; F603-K681 HydrophobicContact CD2-CG 4.32Å; F603-K681 HydrophobicContact CE1-CB 3.67Å; F603-K681 HydrophobicContact CE1-CG 4.49Å; F603-K681 HydrophobicContact CE2-CB 3.91Å; F603-K681 HydrophobicContact CG-CB 3.86Å; F603-K681 HydrophobicContact CG-CD 4.34Å; F603-K681 HydrophobicContact CG-CG 3.95Å; F603-K681 HydrophobicContact CZ-CB 3.77Å
604E95.9Very high92.3Very high3 Ų314.2 Ų14.21%0.0147%0.07CC..Hα-helixtrans-66.8-39-178.6-66.377-170.100112.2G601 N602 H608 L634 I637 K681G601-E604 VanDerWaalsContact CA-OE2 3.22Å; G601-E604 WeakPolarHBondContact CA-OE2 3.37Å; G601-E604 PolarHBondContact O-N 2.88Å; N602-E604 VanDerWaalsContact C-N 3.32Å; N602-E604 PolarHBondContact O-N 3.38Å; E604-H608 WeakPolarHBondContact O-CB 3.42Å; E604-H608 PolarHBondContact O-N 3.05Å; E604-L634 HydrophobicContact CB-CB 4.33Å; E604-L634 HydrophobicContact CG-CD2 4.31Å; E604-I637 HydrophobicContact CG-CB 4.1Å; E604-I637 HydrophobicContact CG-CD1 3.57Å; E604-I637 HydrophobicContact CG-CG1 4.45Å; E604-I637 HydrophobicContact CG-CG2 4.27Å; E604-K681 IonicContact OE1-NZ 3.14Å; E604-K681 PolarHBondContact OE1-NZ 3.44Å; E604-K681 IonicContact OE2-NZ 3.85Å
605I94.9Very high92.3Very high0 Ų014.6 Ų14.60%07%0.073CC..Hα-helixtrans-67.9-43176.7-66.9165.8000111.1G601 N602 F603 Y609 L635 P638 Y655 A658G601-I605 WeakPolarHBondContact O-CD1 3.45Å; G601-I605 VanDerWaalsContact O-CG1 3.23Å; G601-I605 WeakPolarHBondContact O-CG1 3.38Å; G601-I605 PolarHBondContact O-N 2.99Å; N602-I605 PolarHBondContact O-N 3.43Å; F603-I605 PolarHBondContact O-N 3.17Å; I605-Y609 WeakPolarHBondContact O-CB 3.38Å; I605-Y609 PolarHBondContact O-N 2.82Å; I605-L635 HydrophobicContact CG1-CD2 4.29Å; I605-P638 HydrophobicContact CG1-CG 4.42Å; I605-Y655 HydrophobicContact CG1-CD2 4.42Å; I605-Y655 HydrophobicContact CG2-CD2 4.26Å; I605-Y655 HydrophobicContact CG2-CE2 4.49Å; I605-A658 HydrophobicContact CG2-CB 3.82Å
606L94.5Very high92Very high0 Ų022.4 Ų22.40%011%0.107CC..Hα-helixtrans-59.4-53.8176.2-81.7168000111L149 H152 L597 N602 F603 H608 Y609 Y610 L662 L668L149-L606 HydrophobicContact CG-CB 4.47Å; H152-L606 HydrophobicContact CB-CD1 4.04Å; L597-L606 HydrophobicContact CD1-CD1 4.17Å; L597-L606 HydrophobicContact CD2-CD1 4.27Å; N602-L606 VanDerWaalsContact O-CB 3.28Å; N602-L606 WeakPolarHBondContact O-CB 3.29Å; N602-L606 VanDerWaalsContact O-CG 3.25Å; N602-L606 WeakPolarHBondContact O-CG 3.35Å; N602-L606 PolarHBondContact O-N 2.96Å; F603-L606 PolarHBondContact O-N 3.44Å; L606-H608 VanDerWaalsContact C-N 3.33Å; L606-H608 PolarHBondContact O-N 3.05Å; L606-Y609 PolarHBondContact O-N 3.24Å; L606-Y610 HydrophobicContact CD2-CE2 4.03Å; L606-Y610 WeakPolarHBondContact O-CD2 3.38Å; L606-Y610 PolarHBondContact O-N 2.94Å; L606-L662 HydrophobicContact CD2-CD1 4.17Å; L606-L662 HydrophobicContact CD2-CD2 3.51Å; L606-L662 HydrophobicContact CD2-CG 4.46Å; L606-L668 HydrophobicContact CD1-CD1 3.7Å; L606-L668 HydrophobicContact CD2-CD1 3.51Å; L606-L668 HydrophobicContact CG-CD1 3.51Å
607L95.3Very high91.5Very high0 Ų029.2 Ų29.20%014%0.137CC..Hα-helixtrans-63.6-41.6-178.1-175.258.4000111.2L141 I144 L149 F603 Y609 Y610 L611 L634 L685L141-L607 HydrophobicContact CD1-CD1 4.28Å; L141-L607 HydrophobicContact CD1-CD2 4.25Å; I144-L607 HydrophobicContact CG2-CD1 3.71Å; L149-L607 HydrophobicContact CD1-CD1 4.2Å; L149-L607 HydrophobicContact CD2-CB 4.16Å; L149-L607 HydrophobicContact CD2-CD1 4.28Å; F603-L607 HydrophobicContact CE1-CD2 4.01Å; F603-L607 HydrophobicContact CZ-CD2 4.21Å; F603-L607 WeakPolarHBondContact O-CB 3.39Å; F603-L607 PolarHBondContact O-N 3.4Å; L607-Y609 PolarHBondContact O-N 2.64Å; L607-Y610 PolarHBondContact O-N 2.86Å; L607-L611 HydrophobicContact CD1-CD1 3.98Å; L607-L611 HydrophobicContact CD1-CG 4Å; L607-L611 HydrophobicContact CD2-CD1 4.46Å; L607-L611 HydrophobicContact CG-CD1 3.74Å; L607-L611 HydrophobicContact CG-CG 4.24Å; L607-L611 VanDerWaalsContact O-CB 3.24Å; L607-L611 WeakPolarHBondContact O-CB 3.36Å; L607-L611 WeakPolarHBondContact O-CG 3.3Å; L607-L611 PolarHBondContact O-N 3.16Å; L607-L634 HydrophobicContact CB-CD1 3.92Å; L607-L634 HydrophobicContact CD2-CD1 3.63Å; L607-L634 HydrophobicContact CD2-CD2 4.28Å; L607-L634 HydrophobicContact CG-CD1 3.61Å; L607-L685 HydrophobicContact CD2-CD1 3.43Å; L607-L685 VanDerWaalsContact CD2-CD1 3.43Å
608H95.7Very high90.6Very high4 Ų430.5 Ų30.52%0.01915%0.146CC..Hα-helixtrans-55.1-48.4172.116984.2000112.4E604 L606 L611 L612 A631 L635 Y655E604-H608 WeakPolarHBondContact O-CB 3.42Å; E604-H608 PolarHBondContact O-N 3.05Å; L606-H608 VanDerWaalsContact C-N 3.33Å; L606-H608 PolarHBondContact O-N 3.05Å; H608-L611 PolarHBondContact O-N 3.11Å; H608-L612 VanDerWaalsContact CE1-CD1 3.41Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.48Å; H608-L612 VanDerWaalsContact NE2-CD1 3.26Å; H608-L612 WeakPolarHBondContact NE2-CD1 3.48Å; H608-L612 WeakPolarHBondContact O-CG 3.3Å; H608-L612 PolarHBondContact O-N 3.36Å; H608-A631 PolarHBondContact ND1-O 3.46Å; H608-L635 HydrophobicContact CB-CD2 3.94Å; H608-L635 HydrophobicContact CB-CG 4.32Å; H608-L635 VanDerWaalsContact CE1-CD1 3.47Å; H608-L635 WeakPolarHBondContact CE1-CD1 3.43Å; H608-Y655 AromaticContact CD2-CE2 3.77Å; H608-Y655 PolarHBondContact CD2-OH 2.81Å; H608-Y655 AromaticContact NE2-CE2 3.93Å; H608-Y655 AromaticContact NE2-CZ 3.79Å; H608-Y655 PolarHBondContact NE2-OH 2.94Å
609Y94.6Very high89.2Confident41 Ų4138.4 Ų38.416%0.16118%0.18CC..Hα-helixtrans-61.9-47.9-178.9175.5-100.3000112.3I605 L606 L607 L612 N613 V659 L662I605-Y609 WeakPolarHBondContact O-CB 3.38Å; I605-Y609 PolarHBondContact O-N 2.82Å; L606-Y609 PolarHBondContact O-N 3.24Å; L607-Y609 PolarHBondContact O-N 2.64Å; Y609-L612 PolarHBondContact O-N 2.97Å; Y609-N613 WeakPolarHBondContact CE1-ND2 3.47Å; Y609-N613 PolarHBondContact O-N 3.41Å; Y609-N613 VanDerWaalsContact O-N 3.13Å; Y609-N613 PolarHBondContact O-ND2 3.42Å; Y609-V659 HydrophobicContact CE2-CG1 4.44Å; Y609-L662 HydrophobicContact CD1-CB 4.32Å; Y609-L662 HydrophobicContact CD1-CD1 3.92Å; Y609-L662 HydrophobicContact CD2-CD1 4.38Å; Y609-L662 HydrophobicContact CE1-CB 4.09Å; Y609-L662 HydrophobicContact CG-CD1 3.83Å
610Y93.7Very high87.9Confident33 Ų3343.2 Ų43.213%0.12920%0.201CC..Hα-helixtrans-70-36.7-179.4-72.2-63.6000112.6Y148 L149 H152 L606 L607 N613 Y614Y148-Y610 AromaticContact CD1-CD1 3.74Å; Y148-Y610 HydrophobicContact CD1-CD1 3.74Å; Y148-Y610 AromaticContact CD1-CE1 3.81Å; Y148-Y610 HydrophobicContact CD1-CE1 3.81Å; Y148-Y610 AromaticContact CG-CD1 3.88Å; Y148-Y610 HydrophobicContact CG-CD1 3.88Å; Y148-Y610 HydrophobicContact CG-CE1 4.2Å; Y148-Y610 HydrophobicContact CG-CG 4.35Å; L149-Y610 HydrophobicContact CD1-CD2 3.65Å; L149-Y610 HydrophobicContact CD1-CE2 4.4Å; L149-Y610 HydrophobicContact CD1-CG 4.29Å; L149-Y610 HydrophobicContact CG-CD2 4.34Å; H152-Y610 AromaticContact NE2-CE2 3.77Å; H152-Y610 AromaticContact NE2-CZ 3.76Å; H152-Y610 PolarHBondContact NE2-OH 2.65Å; L606-Y610 HydrophobicContact CD2-CE2 4.03Å; L606-Y610 WeakPolarHBondContact O-CD2 3.38Å; L606-Y610 PolarHBondContact O-N 2.94Å; L607-Y610 PolarHBondContact O-N 2.86Å; Y610-N613 PolarHBondContact O-N 2.99Å; Y610-Y614 WeakPolarHBondContact O-CB 3.43Å; Y610-Y614 PolarHBondContact O-N 3Å
611L93.1Very high87Confident0 Ų047.6 Ų47.60%023%0.231CC..Hα-helixtrans-63.6-41.1174.2-76.6172.4000112.7F136 I140 I144 L607 H608 N613 Y614 A615 I630 A631 L634F136-L611 HydrophobicContact CE2-CD2 3.42Å; F136-L611 VanDerWaalsContact CE2-CD2 3.42Å; F136-L611 HydrophobicContact CZ-CD1 4.12Å; F136-L611 HydrophobicContact CZ-CD2 3.51Å; F136-L611 HydrophobicContact CZ-CG 4.48Å; I140-L611 HydrophobicContact CG2-CD2 4.4Å; I144-L611 HydrophobicContact CD1-CD2 3.38Å; I144-L611 HydrophobicContact CD1-CG 4.13Å; L607-L611 HydrophobicContact CD1-CD1 3.98Å; L607-L611 HydrophobicContact CD1-CG 4Å; L607-L611 HydrophobicContact CD2-CD1 4.46Å; L607-L611 HydrophobicContact CG-CD1 3.74Å; L607-L611 HydrophobicContact CG-CG 4.24Å; L607-L611 VanDerWaalsContact O-CB 3.24Å; L607-L611 WeakPolarHBondContact O-CB 3.36Å; L607-L611 WeakPolarHBondContact O-CG 3.3Å; L607-L611 PolarHBondContact O-N 3.16Å; H608-L611 PolarHBondContact O-N 3.11Å; L611-N613 VanDerWaalsContact C-N 3.31Å; L611-N613 PolarHBondContact O-N 3.47Å; L611-Y614 PolarHBondContact O-N 2.84Å; L611-A615 VanDerWaalsContact O-CB 3.29Å; L611-A615 WeakPolarHBondContact O-CB 3.41Å; L611-A615 PolarHBondContact O-N 3.05Å; L611-I630 HydrophobicContact CD1-CG2 3.9Å; L611-A631 HydrophobicContact CB-CB 3.81Å; L611-A631 HydrophobicContact CD1-CB 4.29Å; L611-L634 HydrophobicContact CD1-CD1 3.87Å
612L91.1Very high86.1Confident42 Ų4252.3 Ų52.322%0.2225%0.252CS..Hα-helixtrans-64.9-37.2174.9-75.2-175.2000112.3H608 Y609 K616 M628 A631H608-L612 VanDerWaalsContact CE1-CD1 3.41Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.48Å; H608-L612 VanDerWaalsContact NE2-CD1 3.26Å; H608-L612 WeakPolarHBondContact NE2-CD1 3.48Å; H608-L612 WeakPolarHBondContact O-CG 3.3Å; H608-L612 PolarHBondContact O-N 3.36Å; Y609-L612 PolarHBondContact O-N 2.97Å; L612-K616 VanDerWaalsContact O-CG 3.31Å; L612-K616 WeakPolarHBondContact O-CG 3.34Å; L612-K616 PolarHBondContact O-N 3.09Å; L612-K616 VanDerWaalsContact O-N 3.13Å; L612-M628 HydrophobicContact CD2-CG 4.5Å; L612-A631 HydrophobicContact CD2-CB 4.07Å; L612-A631 HydrophobicContact CG-CB 4.15Å
613N89.8Confident85.3Confident44 Ų4453.5 Ų53.524%0.23526%0.258CS..Hα-helixtrans-70.4-35.9176.4-71.8-23.1000112Y609 Y610 L611 K617Y609-N613 WeakPolarHBondContact CE1-ND2 3.47Å; Y609-N613 PolarHBondContact O-N 3.41Å; Y609-N613 VanDerWaalsContact O-N 3.13Å; Y609-N613 PolarHBondContact O-ND2 3.42Å; Y610-N613 PolarHBondContact O-N 2.99Å; L611-N613 VanDerWaalsContact C-N 3.31Å; L611-N613 PolarHBondContact O-N 3.47Å; N613-K617 WeakPolarHBondContact O-CG 3.32Å; N613-K617 PolarHBondContact O-N 2.88Å
614Y88.4Confident84.7Confident61 Ų6154.4 Ų54.424%0.23926%0.264CS..Hα-helixtrans-63.6-50.8172.1176.2-94.2000111I140 I144 Y610 L611 K616 K617 C618I140-Y614 HydrophobicContact CD1-CE1 3.79Å; I140-Y614 HydrophobicContact CG1-CE1 4.1Å; I140-Y614 HydrophobicContact CG2-CD1 3.94Å; I140-Y614 HydrophobicContact CG2-CE1 3.64Å; I140-Y614 HydrophobicContact CG2-CE2 4.41Å; I140-Y614 HydrophobicContact CG2-CG 4.45Å; I144-Y614 HydrophobicContact CD1-CG 4.17Å; Y610-Y614 WeakPolarHBondContact O-CB 3.43Å; Y610-Y614 PolarHBondContact O-N 3Å; L611-Y614 PolarHBondContact O-N 2.84Å; Y614-K616 PolarHBondContact O-N 3.2Å; Y614-K616 VanDerWaalsContact O-N 3.16Å; Y614-K617 WeakPolarHBondContact O-CA 3.26Å; Y614-K617 PolarHBondContact O-N 2.91Å; Y614-C618 WeakPolarHBondContact CE1-SG 3.14Å; Y614-C618 PolarHBondContact O-N 3.16Å; Y614-C618 VanDerWaalsContact O-N 3.1Å; Y614-C618 PolarHBondContact OH-SG 3.06Å
615A86.9Confident84.1Confident8 Ų857.4 Ų57.47%0.06628%0.278CS..Hα-helixtrans-56.2-33.7177.700000113.2L611 K617 T624 M628L611-A615 VanDerWaalsContact O-CB 3.29Å; L611-A615 WeakPolarHBondContact O-CB 3.41Å; L611-A615 PolarHBondContact O-N 3.05Å; A615-K617 VanDerWaalsContact C-N 3.33Å; A615-T624 HydrophobicContact CB-CG2 3.99Å; A615-T624 WeakPolarHBondContact O-CG2 3.38Å; A615-M628 HydrophobicContact CB-CG 3.99Å
616K85.9Confident83.8Confident165 Ų16557.8 Ų57.872%0.71728%0.281SS*.Hα-helixtrans-70.8-25.6174.7-74.3171.8-176.11770114.2L612 Y614L612-K616 VanDerWaalsContact O-CG 3.31Å; L612-K616 WeakPolarHBondContact O-CG 3.34Å; L612-K616 PolarHBondContact O-N 3.09Å; L612-K616 VanDerWaalsContact O-N 3.13Å; Y614-K616 PolarHBondContact O-N 3.2Å; Y614-K616 VanDerWaalsContact O-N 3.16Å
617K82.8Confident83.6Confident143 Ų14357.8 Ų57.862%0.62228%0.281SS*.Hα-helixtrans-90-23.6-178.5-69.6177.1179.6-174.20112.3N613 Y614 A615N613-K617 WeakPolarHBondContact O-CG 3.32Å; N613-K617 PolarHBondContact O-N 2.88Å; Y614-K617 WeakPolarHBondContact O-CA 3.26Å; Y614-K617 PolarHBondContact O-N 2.91Å; A615-K617 VanDerWaalsContact C-N 3.33Å
618C72.7Confident83.3Confident32 Ų3262 Ų6222%0.21630%0.301CS..  trans-81.4134-178.5-690000111.9Y614 T624Y614-C618 WeakPolarHBondContact CE1-SG 3.14Å; Y614-C618 PolarHBondContact O-N 3.16Å; Y614-C618 VanDerWaalsContact O-N 3.1Å; Y614-C618 PolarHBondContact OH-SG 3.06Å; C618-T624 WeakPolarHBondContact CB-OG1 3.21Å
619H62.5Low83.1Confident196 Ų19662.7 Ų62.791%0.90731%0.305SS*.  trans-92-6.9174.5-63.6-59.5000113.2
620Q63Low83.1Confident117 Ų11760.8 Ų60.855%0.54730%0.297SS..  trans-81.5124.6175.9-65.9-171.82.500110.7E623 T624Q620-E623 PolarHBondContact OE1-OE1 3.43Å; Q620-E623 PolarHBondContact OE1-OE2 3.49Å; Q620-E623 VanDerWaalsContact OE1-OE2 3.12Å; Q620-T624 WeakPolarHBondContact O-CB 3.46Å; Q620-T624 PolarHBondContact O-N 3.2Å; Q620-T624 PolarHBondContact O-OG1 3.41Å
621S68.4Low83.2Confident95 Ų9559.2 Ų59.266%0.66429%0.291SS*.Hα-helixtrans-67.6-39-173.453.30000113.5M625S621-M625 VanDerWaalsContact O-CB 3.24Å; S621-M625 WeakPolarHBondContact O-CB 3.25Å; S621-M625 PolarHBondContact O-N 3.26Å
622E71.7Confident83.3Confident104 Ų10463.2 Ų63.249%0.48631%0.313SS..Hα-helixtrans-77.3-49.1-170.2-62.2-179.4-178.300113T624 M625 V626E622-T624 VanDerWaalsContact C-N 3.27Å; E622-T624 PolarHBondContact O-N 2.96Å; E622-M625 WeakPolarHBondContact O-CB 3.37Å; E622-M625 PolarHBondContact O-N 3.18Å; E622-V626 WeakPolarHBondContact O-CG2 3.36Å; E622-V626 PolarHBondContact O-N 3.27Å
623E75.6Confident83.6Confident32 Ų3261.4 Ų61.415%0.1530%0.304CS..Hα-helixtrans-62.8-37.7175.9-64.2-174.6165.800111.6I140 Q620 S627I140-E623 HydrophobicContact CD1-CB 4.05Å; I140-E623 HydrophobicContact CD1-CG 4.32Å; Q620-E623 PolarHBondContact OE1-OE1 3.43Å; Q620-E623 PolarHBondContact OE1-OE2 3.49Å; Q620-E623 VanDerWaalsContact OE1-OE2 3.12Å; E623-S627 WeakPolarHBondContact O-CB 3.48Å; E623-S627 PolarHBondContact O-N 2.89Å; E623-S627 PolarHBondContact O-OG 3.07Å
624T82.4Confident83.9Confident23 Ų2359.4 Ų59.414%0.14129%0.293CS..Hα-helixtrans-62.2-45.8174.5-63.30000110.8A615 C618 Q620 E622 S627 M628A615-T624 HydrophobicContact CB-CG2 3.99Å; A615-T624 WeakPolarHBondContact O-CG2 3.38Å; C618-T624 WeakPolarHBondContact CB-OG1 3.21Å; Q620-T624 WeakPolarHBondContact O-CB 3.46Å; Q620-T624 PolarHBondContact O-N 3.2Å; Q620-T624 PolarHBondContact O-OG1 3.41Å; E622-T624 VanDerWaalsContact C-N 3.27Å; E622-T624 PolarHBondContact O-N 2.96Å; T624-S627 PolarHBondContact O-N 3.3Å; T624-M628 HydrophobicContact CG2-SD 4.34Å; T624-M628 WeakPolarHBondContact O-CB 3.45Å; T624-M628 VanDerWaalsContact O-CG 3.31Å; T624-M628 WeakPolarHBondContact O-CG 3.49Å; T624-M628 PolarHBondContact O-N 2.98Å
625M83.8Confident84.2Confident66 Ų6656.9 Ų56.933%0.32528%0.283SS..Hα-helixtrans-63-48.9177.8178.4-175.6177.700112V100 S621 E622 S627 M628 I629V100-M625 HydrophobicContact CB-CE 3.98Å; V100-M625 HydrophobicContact CG1-CE 3.11Å; V100-M625 HydrophobicContact CG2-CE 3.72Å; S621-M625 VanDerWaalsContact O-CB 3.24Å; S621-M625 WeakPolarHBondContact O-CB 3.25Å; S621-M625 PolarHBondContact O-N 3.26Å; E622-M625 WeakPolarHBondContact O-CB 3.37Å; E622-M625 PolarHBondContact O-N 3.18Å; M625-S627 VanDerWaalsContact C-N 3.34Å; M625-S627 PolarHBondContact O-N 3.27Å; M625-M628 PolarHBondContact O-N 3.12Å; M625-I629 HydrophobicContact CE-CD1 4.25Å; M625-I629 HydrophobicContact CG-CD1 4.12Å; M625-I629 WeakPolarHBondContact O-CG1 3.42Å; M625-I629 PolarHBondContact O-N 3.36Å
626V87.3Confident84.6Confident8 Ų856.5 Ų56.55%0.04828%0.28CS..Hα-helixtrans-61-44.4176.81710000110.7A132 L133 F136 E622 M628 I629 I630A132-V626 HydrophobicContact CB-CG2 3.83Å; L133-V626 HydrophobicContact CD2-CG1 3.65Å; L133-V626 HydrophobicContact CG-CG1 4.35Å; F136-V626 HydrophobicContact CB-CG1 4.3Å; F136-V626 HydrophobicContact CG-CG1 4.46Å; E622-V626 WeakPolarHBondContact O-CG2 3.36Å; E622-V626 PolarHBondContact O-N 3.27Å; V626-M628 VanDerWaalsContact C-N 3.31Å; V626-M628 PolarHBondContact O-N 3.28Å; V626-I629 PolarHBondContact O-N 2.76Å; V626-I630 HydrophobicContact CG1-CD1 3.7Å; V626-I630 HydrophobicContact CG1-CG1 4.33Å; V626-I630 WeakPolarHBondContact O-CG1 3.39Å; V626-I630 PolarHBondContact O-N 3.43Å
627S89.8Confident85Confident0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-59.7-40.8176.4-62.70000112E623 T624 M625 A631E623-S627 WeakPolarHBondContact O-CB 3.48Å; E623-S627 PolarHBondContact O-N 2.89Å; E623-S627 PolarHBondContact O-OG 3.07Å; T624-S627 PolarHBondContact O-N 3.3Å; M625-S627 VanDerWaalsContact C-N 3.34Å; M625-S627 PolarHBondContact O-N 3.27Å; S627-A631 WeakPolarHBondContact O-CB 3.31Å; S627-A631 PolarHBondContact O-N 3.41Å
628M89.9Confident85.5Confident87 Ų8742.1 Ų42.143%0.42922%0.218SC..Hα-helixtrans-66.5-41.9175.4-77-179.565.900112.5L612 A615 T624 M625 V626 A631 N632L612-M628 HydrophobicContact CD2-CG 4.5Å; A615-M628 HydrophobicContact CB-CG 3.99Å; T624-M628 HydrophobicContact CG2-SD 4.34Å; T624-M628 WeakPolarHBondContact O-CB 3.45Å; T624-M628 VanDerWaalsContact O-CG 3.31Å; T624-M628 WeakPolarHBondContact O-CG 3.49Å; T624-M628 PolarHBondContact O-N 2.98Å; M625-M628 PolarHBondContact O-N 3.12Å; V626-M628 VanDerWaalsContact C-N 3.31Å; V626-M628 PolarHBondContact O-N 3.28Å; M628-A631 PolarHBondContact O-N 3.04Å; M628-N632 WeakPolarHBondContact O-CB 3.43Å; M628-N632 VanDerWaalsContact O-CG 3.24Å; M628-N632 PolarHBondContact O-N 3.18Å; M628-N632 PolarHBondContact O-ND2 3.39Å; M628-N632 VanDerWaalsContact O-ND2 3.08Å
629I91.9Very high86.5Confident19 Ų1946.9 Ų46.910%0.09723%0.232CC..Hα-helixtrans-62.5-48.4177.4-68.7168.2000110L93 L97 V100 M625 V626 N632 A633L93-I629 HydrophobicContact CD2-CG2 4.25Å; L97-I629 HydrophobicContact CD2-CD1 3.86Å; L97-I629 HydrophobicContact CG-CG2 4.43Å; V100-I629 HydrophobicContact CG2-CD1 4.12Å; M625-I629 HydrophobicContact CE-CD1 4.25Å; M625-I629 HydrophobicContact CG-CD1 4.12Å; M625-I629 WeakPolarHBondContact O-CG1 3.42Å; M625-I629 PolarHBondContact O-N 3.36Å; V626-I629 PolarHBondContact O-N 2.76Å; I629-N632 PolarHBondContact O-N 3.28Å; I629-A633 VanDerWaalsContact O-CB 3.3Å; I629-A633 WeakPolarHBondContact O-CB 3.37Å; I629-A633 PolarHBondContact O-N 3.41Å
630I94.9Very high87.9Confident1 Ų139 Ų391%0.00520%0.197CC..Hα-helixtrans-61.2-49.4177.5-67.3173.2000110.4F89 L93 L133 F136 L611 V626 N632 A633 L634 L689F89-I630 HydrophobicContact CZ-CG2 4.24Å; L93-I630 HydrophobicContact CD2-CB 4.4Å; L93-I630 HydrophobicContact CD2-CG1 3.88Å; L133-I630 HydrophobicContact CD2-CD1 4.03Å; F136-I630 HydrophobicContact CD1-CD1 3.44Å; F136-I630 VanDerWaalsContact CD1-CD1 3.44Å; F136-I630 HydrophobicContact CD2-CD1 4.08Å; F136-I630 HydrophobicContact CE1-CD1 3.43Å; F136-I630 VanDerWaalsContact CE1-CD1 3.43Å; F136-I630 HydrophobicContact CE1-CG2 4.26Å; F136-I630 HydrophobicContact CE2-CD1 4.07Å; F136-I630 HydrophobicContact CG-CD1 3.79Å; F136-I630 HydrophobicContact CZ-CD1 3.75Å; F136-I630 HydrophobicContact CZ-CG2 4.09Å; L611-I630 HydrophobicContact CD1-CG2 3.9Å; V626-I630 HydrophobicContact CG1-CD1 3.7Å; V626-I630 HydrophobicContact CG1-CG1 4.33Å; V626-I630 WeakPolarHBondContact O-CG1 3.39Å; V626-I630 PolarHBondContact O-N 3.43Å; I630-N632 VanDerWaalsContact C-N 3.32Å; I630-N632 PolarHBondContact O-N 3.45Å; I630-A633 PolarHBondContact O-N 3.16Å; I630-L634 HydrophobicContact CG2-CD1 4.27Å; I630-L634 WeakPolarHBondContact O-CG 3.32Å; I630-L634 PolarHBondContact O-N 3.34Å; I630-L689 HydrophobicContact CD1-CD1 4.46Å; I630-L689 HydrophobicContact CD1-CD2 3.93Å; I630-L689 HydrophobicContact CG1-CD2 4.28Å
631A94.9Very high89.2Confident0 Ų034.7 Ų34.70%018%0.178CC..Hα-helixtrans-54.6-49178.300000111.2H608 L611 L612 S627 M628 L634H608-A631 PolarHBondContact ND1-O 3.46Å; L611-A631 HydrophobicContact CB-CB 3.81Å; L611-A631 HydrophobicContact CD1-CB 4.29Å; L612-A631 HydrophobicContact CD2-CB 4.07Å; L612-A631 HydrophobicContact CG-CB 4.15Å; S627-A631 WeakPolarHBondContact O-CB 3.31Å; S627-A631 PolarHBondContact O-N 3.41Å; M628-A631 PolarHBondContact O-N 3.04Å; A631-L634 PolarHBondContact O-N 2.99Å
632N95Very high90.2Very high85 Ų8530.4 Ų30.446%0.45515%0.147SC..Hα-helixtrans-67.1-38-179.3-71.7-32.9000112.4M628 I629 I630 L634 L635M628-N632 WeakPolarHBondContact O-CB 3.43Å; M628-N632 VanDerWaalsContact O-CG 3.24Å; M628-N632 PolarHBondContact O-N 3.18Å; M628-N632 PolarHBondContact O-ND2 3.39Å; M628-N632 VanDerWaalsContact O-ND2 3.08Å; I629-N632 PolarHBondContact O-N 3.28Å; I630-N632 VanDerWaalsContact C-N 3.32Å; I630-N632 PolarHBondContact O-N 3.45Å; N632-L634 VanDerWaalsContact C-N 3.34Å; N632-L634 PolarHBondContact O-N 3.18Å; N632-L635 PolarHBondContact O-N 3.2Å
633A96.9Very high91Very high3 Ų334.1 Ų34.13%0.02516%0.161CC..Hα-helixtrans-66.5-34.4178.800000112.9F89 H92 L93 I629 I630 L635 G636F89-A633 HydrophobicContact CD2-CB 4.07Å; F89-A633 HydrophobicContact CE2-CB 3.78Å; H92-A633 HydrophobicContact CB-CB 3.82Å; L93-A633 HydrophobicContact CB-CB 4.45Å; L93-A633 HydrophobicContact CD2-CB 3.58Å; L93-A633 HydrophobicContact CG-CB 3.78Å; I629-A633 VanDerWaalsContact O-CB 3.3Å; I629-A633 WeakPolarHBondContact O-CB 3.37Å; I629-A633 PolarHBondContact O-N 3.41Å; I630-A633 PolarHBondContact O-N 3.16Å; A633-L635 PolarHBondContact O-N 3.34Å; A633-G636 PolarHBondContact O-N 2.87Å
634L96.6Very high91.3Very high3 Ų336.7 Ų36.72%0.01618%0.183CC..Hα-helixtrans-56.4-36.3177.1-75.9166.5000112.6F89 E604 L607 L611 I630 A631 N632 G636 I637 P638 L685F89-L634 HydrophobicContact CD2-CD2 4.4Å; F89-L634 HydrophobicContact CE1-CD2 4.29Å; F89-L634 HydrophobicContact CE2-CD2 3.75Å; F89-L634 HydrophobicContact CE2-CG 3.85Å; F89-L634 HydrophobicContact CZ-CD2 3.7Å; F89-L634 HydrophobicContact CZ-CG 4.04Å; E604-L634 HydrophobicContact CB-CB 4.33Å; E604-L634 HydrophobicContact CG-CD2 4.31Å; L607-L634 HydrophobicContact CB-CD1 3.92Å; L607-L634 HydrophobicContact CD2-CD1 3.63Å; L607-L634 HydrophobicContact CD2-CD2 4.28Å; L607-L634 HydrophobicContact CG-CD1 3.61Å; L611-L634 HydrophobicContact CD1-CD1 3.87Å; I630-L634 HydrophobicContact CG2-CD1 4.27Å; I630-L634 WeakPolarHBondContact O-CG 3.32Å; I630-L634 PolarHBondContact O-N 3.34Å; A631-L634 PolarHBondContact O-N 2.99Å; N632-L634 VanDerWaalsContact C-N 3.34Å; N632-L634 PolarHBondContact O-N 3.18Å; L634-G636 PolarHBondContact O-N 3.23Å; L634-I637 PolarHBondContact O-N 3.35Å; L634-P638 VanDerWaalsContact O-CD 3.26Å; L634-P638 WeakPolarHBondContact O-CD 3.32Å; L634-L685 HydrophobicContact CD2-CD1 3.96Å
635L95.9Very high91.5Very high7 Ų738 Ų384%0.03719%0.187CC..THydrogen-bonded Turntrans-68.3-12.6178.1-62.9-172.6000113.7I605 H608 N632 A633 I637 P638 R639 F651 Y655I605-L635 HydrophobicContact CG1-CD2 4.29Å; H608-L635 HydrophobicContact CB-CD2 3.94Å; H608-L635 HydrophobicContact CB-CG 4.32Å; H608-L635 VanDerWaalsContact CE1-CD1 3.47Å; H608-L635 WeakPolarHBondContact CE1-CD1 3.43Å; N632-L635 PolarHBondContact O-N 3.2Å; A633-L635 PolarHBondContact O-N 3.34Å; L635-I637 PolarHBondContact O-N 3.44Å; L635-P638 HydrophobicContact CD2-CG 4.43Å; L635-P638 WeakPolarHBondContact O-CD 3.48Å; L635-P638 WeakPolarHBondContact O-CG 3.33Å; L635-R639 WeakPolarHBondContact O-CB 3.16Å; L635-R639 WeakPolarHBondContact O-CD 3.2Å; L635-R639 WeakPolarHBondContact O-CG 3.41Å; L635-R639 PolarHBondContact O-N 3.05Å; L635-R639 VanDerWaalsContact O-N 3.12Å; L635-F651 HydrophobicContact CB-CZ 4.19Å; L635-F651 HydrophobicContact CD1-CZ 4.28Å; L635-F651 HydrophobicContact CD2-CZ 4.15Å; L635-F651 HydrophobicContact CG-CZ 4.45Å; L635-Y655 HydrophobicContact CD1-CD2 4.47Å; L635-Y655 HydrophobicContact CD1-CE2 3.9Å; L635-Y655 HydrophobicContact CD2-CD2 4.19Å; L635-Y655 HydrophobicContact CD2-CE2 3.94Å
636G94.5Very high91.5Very high0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-58.1-38.5172.700000112.6H92 A633 L634 R639 V640H92-G636 WeakPolarHBondContact NE2-CA 3.5Å; A633-G636 PolarHBondContact O-N 2.87Å; L634-G636 PolarHBondContact O-N 3.23Å; G636-R639 PolarHBondContact O-N 3.08Å; G636-V640 WeakPolarHBondContact O-CG2 3.24Å; G636-V640 PolarHBondContact O-N 3.32Å
637I94.8Very high91.4Very high6 Ų642.6 Ų42.63%0.03123%0.229CC..Hα-helixtrans-63.8-57.9-178.4-61.5159.1000111.7M29 T85 I88 F89 E604 L634 L635 R639 V640 L641M29-I637 HydrophobicContact CE-CG2 3.58Å; M29-I637 WeakPolarHBondContact CE-O 3.44Å; T85-I637 HydrophobicContact CG2-CB 4.44Å; T85-I637 HydrophobicContact CG2-CD1 3.35Å; T85-I637 HydrophobicContact CG2-CG1 3.68Å; T85-I637 HydrophobicContact CG2-CG2 3.88Å; I88-I637 HydrophobicContact CG2-CG1 4.24Å; F89-I637 HydrophobicContact CB-CD1 4.14Å; F89-I637 HydrophobicContact CG-CD1 4.38Å; E604-I637 HydrophobicContact CG-CB 4.1Å; E604-I637 HydrophobicContact CG-CD1 3.57Å; E604-I637 HydrophobicContact CG-CG1 4.45Å; E604-I637 HydrophobicContact CG-CG2 4.27Å; L634-I637 PolarHBondContact O-N 3.35Å; L635-I637 PolarHBondContact O-N 3.44Å; I637-R639 VanDerWaalsContact C-N 3.29Å; I637-R639 PolarHBondContact O-N 3.02Å; I637-V640 PolarHBondContact O-N 2.94Å; I637-L641 PolarHBondContact O-N 3.08Å
638P93.6Very high91.1Very high0 Ų051.1 Ų51.10%027%0.266CS..Hα-helixtrans-64.3-32.617724.7-33.7000112.1I605 L634 L635 V640 L641 Y642 F651I605-P638 HydrophobicContact CG1-CG 4.42Å; L634-P638 VanDerWaalsContact O-CD 3.26Å; L634-P638 WeakPolarHBondContact O-CD 3.32Å; L635-P638 HydrophobicContact CD2-CG 4.43Å; L635-P638 WeakPolarHBondContact O-CD 3.48Å; L635-P638 WeakPolarHBondContact O-CG 3.33Å; P638-V640 VanDerWaalsContact C-N 3.32Å; P638-V640 PolarHBondContact O-N 2.84Å; P638-L641 WeakPolarHBondContact O-CB 3.41Å; P638-L641 PolarHBondContact O-N 3.38Å; P638-Y642 HydrophobicContact CB-CD2 4.16Å; P638-Y642 HydrophobicContact CB-CE2 4.21Å; P638-Y642 WeakPolarHBondContact O-CD2 3.25Å; P638-Y642 PolarHBondContact O-N 2.95Å; P638-F651 HydrophobicContact CB-CD2 3.87Å; P638-F651 HydrophobicContact CB-CE2 3.68Å; P638-F651 HydrophobicContact CG-CD2 4.29Å; P638-F651 HydrophobicContact CG-CE2 3.62Å; P638-F651 HydrophobicContact CG-CZ 4.37Å
639R93.1Very high90.8Very high133 Ų13354 Ų5450%0.50227%0.273SS..Hα-helixtrans-58.8-42.7174.4-75.7170.7-174.7-171.62.6112.5L635 G636 I637 K643 F651L635-R639 WeakPolarHBondContact O-CB 3.16Å; L635-R639 WeakPolarHBondContact O-CD 3.2Å; L635-R639 WeakPolarHBondContact O-CG 3.41Å; L635-R639 PolarHBondContact O-N 3.05Å; L635-R639 VanDerWaalsContact O-N 3.12Å; G636-R639 PolarHBondContact O-N 3.08Å; I637-R639 VanDerWaalsContact C-N 3.29Å; I637-R639 PolarHBondContact O-N 3.02Å; R639-K643 PolarHBondContact O-N 2.94Å; R639-F651 HydrophobicContact CG-CD1 3.55Å; R639-F651 HydrophobicContact CG-CD2 4.39Å; R639-F651 HydrophobicContact CG-CE1 3.56Å; R639-F651 HydrophobicContact CG-CE2 4.4Å; R639-F651 HydrophobicContact CG-CG 3.98Å; R639-F651 HydrophobicContact CG-CZ 4Å
640V92.4Very high90.6Very high30 Ų3054 Ų5418%0.18228%0.275CS..Hα-helixtrans-67.3-43.4174.7174.50000110.8M29 I88 G636 I637 P638 Y642 K643M29-V640 HydrophobicContact CB-CG1 4.05Å; M29-V640 HydrophobicContact CG-CG1 4.12Å; M29-V640 HydrophobicContact SD-CG1 4.21Å; I88-V640 HydrophobicContact CD1-CB 4.44Å; I88-V640 HydrophobicContact CD1-CG1 4.07Å; I88-V640 HydrophobicContact CG2-CG2 4.15Å; G636-V640 WeakPolarHBondContact O-CG2 3.24Å; G636-V640 PolarHBondContact O-N 3.32Å; I637-V640 PolarHBondContact O-N 2.94Å; P638-V640 VanDerWaalsContact C-N 3.32Å; P638-V640 PolarHBondContact O-N 2.84Å; V640-Y642 VanDerWaalsContact C-N 3.3Å; V640-Y642 PolarHBondContact O-N 3.06Å; V640-K643 VanDerWaalsContact O-CB 3.3Å; V640-K643 WeakPolarHBondContact O-CB 3.35Å; V640-K643 PolarHBondContact O-N 2.93Å
641L89.9Confident90.5Very high26 Ų2655.1 Ų55.114%0.13628%0.28CS..Hα-helixtrans-59-38.6179.6-175.162.8000113.3M29 I637 P638M29-L641 HydrophobicContact CE-CB 3.96Å; M29-L641 HydrophobicContact CE-CD1 4.37Å; M29-L641 HydrophobicContact SD-CB 3.76Å; M29-L641 HydrophobicContact SD-CD1 3.69Å; M29-L641 HydrophobicContact SD-CG 4.33Å; I637-L641 PolarHBondContact O-N 3.08Å; P638-L641 WeakPolarHBondContact O-CB 3.41Å; P638-L641 PolarHBondContact O-N 3.38Å
642Y89.7Confident90.3Very high6 Ų658.6 Ų58.62%0.02430%0.302CS..THydrogen-bonded Turntrans-98.37.1-177.1-67.5-72.6000113.4G600 P638 V640 S644 K645 Y649 F651 I654G600-Y642 VanDerWaalsContact O-CE2 3.3Å; G600-Y642 WeakPolarHBondContact O-CE2 3.39Å; G600-Y642 PolarHBondContact O-OH 3.2Å; P638-Y642 HydrophobicContact CB-CD2 4.16Å; P638-Y642 HydrophobicContact CB-CE2 4.21Å; P638-Y642 WeakPolarHBondContact O-CD2 3.25Å; P638-Y642 PolarHBondContact O-N 2.95Å; V640-Y642 VanDerWaalsContact C-N 3.3Å; V640-Y642 PolarHBondContact O-N 3.06Å; Y642-S644 PolarHBondContact O-N 3.48Å; Y642-S644 VanDerWaalsContact O-N 3.14Å; Y642-K645 HydrophobicContact CD1-CB 4.48Å; Y642-K645 HydrophobicContact CD1-CD 3.74Å; Y642-K645 HydrophobicContact CD1-CG 4.21Å; Y642-K645 HydrophobicContact CE1-CD 4.18Å; Y642-K645 PolarHBondContact O-N 2.91Å; Y642-Y649 WeakPolarHBondContact CD1-O 3.46Å; Y642-F651 HydrophobicContact CD2-CB 4.46Å; Y642-F651 HydrophobicContact CD2-CD2 4.22Å; Y642-F651 HydrophobicContact CG-CB 4.48Å; Y642-I654 HydrophobicContact CD1-CD1 3.49Å; Y642-I654 VanDerWaalsContact CD1-CD1 3.49Å; Y642-I654 HydrophobicContact CD2-CD1 4.41Å; Y642-I654 HydrophobicContact CE1-CD1 3.08Å; Y642-I654 HydrophobicContact CE2-CD1 4.12Å; Y642-I654 HydrophobicContact CE2-CG2 4.44Å; Y642-I654 HydrophobicContact CG-CD1 4.17Å; Y642-I654 VanDerWaalsContact CZ-CD1 3.46Å
643K87.8Confident90.1Very high181 Ų18159.5 Ų59.579%0.78730%0.304SS*.THydrogen-bonded Turntrans-55.7-34.3-175.3-174.4175.7179.81780113.5R639 V640R639-K643 PolarHBondContact O-N 2.94Å; V640-K643 VanDerWaalsContact O-CB 3.3Å; V640-K643 WeakPolarHBondContact O-CB 3.35Å; V640-K643 PolarHBondContact O-N 2.93Å
644S83.1Confident89.7Confident87 Ų8760.5 Ų60.561%0.60831%0.308SS*.THydrogen-bonded Turntrans-88.9-8.4178.9570000114.4Y642Y642-S644 PolarHBondContact O-N 3.48Å; Y642-S644 VanDerWaalsContact O-N 3.14Å
645K85.1Confident89.5Confident51 Ų5163.1 Ų63.122%0.22232%0.318CS..  trans-92.6136-175.4-57.5-154-159.9173.40111.6Y642 Y649 Q672Y642-K645 HydrophobicContact CD1-CB 4.48Å; Y642-K645 HydrophobicContact CD1-CD 3.74Å; Y642-K645 HydrophobicContact CD1-CG 4.21Å; Y642-K645 HydrophobicContact CE1-CD 4.18Å; Y642-K645 PolarHBondContact O-N 2.91Å; K645-Y649 WeakPolarHBondContact CB-O 3.21Å; K645-Q672 VanDerWaalsContact NZ-NE2 3.17Å
646T84.4Confident89.2Confident120 Ų12068.3 Ų68.374%0.73635%0.345SS*.  trans-115.6166-178.457.80000112.2K648 Y649T646-K648 PolarHBondContact O-N 2.85Å; T646-Y649 PolarHBondContact O-N 2.57Å
647G86Confident89Confident50 Ų5075.4 Ų75.452%0.51537%0.372SS..G310 helixtrans61.5-132.417700000113.5Y649 S650 H653G647-Y649 PolarHBondContact O-N 3.02Å; G647-Y649 VanDerWaalsContact O-N 3.13Å; G647-S650 VanDerWaalsContact O-CB 3.27Å; G647-S650 WeakPolarHBondContact O-CB 3.39Å; G647-S650 PolarHBondContact O-N 3.45Å; G647-S650 PolarHBondContact O-OG 2.86Å; G647-H653 PolarHBondContact O-ND1 3.49Å
648K82.2Confident88.8Confident179 Ų17975.5 Ų75.578%0.77837%0.373SS*.G310 helixtrans-62.7-17.9-177.6-65.2-178.2-179.71780114.3T646T646-K648 PolarHBondContact O-N 2.85Å
649Y83.3Confident88.6Confident146 Ų14676.4 Ų76.457%0.57338%0.379SS*.G310 helixtrans-99.94.8179.2-56.5-76.6000113.1Y642 K645 T646 G647 I654Y642-Y649 WeakPolarHBondContact CD1-O 3.46Å; K645-Y649 WeakPolarHBondContact CB-O 3.21Å; T646-Y649 PolarHBondContact O-N 2.57Å; G647-Y649 PolarHBondContact O-N 3.02Å; G647-Y649 VanDerWaalsContact O-N 3.13Å; Y649-I654 WeakPolarHBondContact O-CD1 3.49Å
650S89.3Confident88.4Confident20 Ų2075.5 Ų75.514%0.1438%0.38CS..SBendtrans-69.8152.5173.963.20000111.5G647 H653 I654G647-S650 VanDerWaalsContact O-CB 3.27Å; G647-S650 WeakPolarHBondContact O-CB 3.39Å; G647-S650 PolarHBondContact O-N 3.45Å; G647-S650 PolarHBondContact O-OG 2.86Å; S650-H653 PolarHBondContact O-N 3.15Å; S650-H653 PolarHBondContact OG-ND1 3.25Å; S650-I654 PolarHBondContact O-N 2.91Å; S650-I654 VanDerWaalsContact O-N 3.17Å
651F91.4Very high88.2Confident25 Ų2574.5 Ų74.511%0.1138%0.375CS..Hα-helixtrans-52.3-47-179.9172.8-106.6000114L635 P638 R639 Y642 H653 I654 Y655L635-F651 HydrophobicContact CB-CZ 4.19Å; L635-F651 HydrophobicContact CD1-CZ 4.28Å; L635-F651 HydrophobicContact CD2-CZ 4.15Å; L635-F651 HydrophobicContact CG-CZ 4.45Å; P638-F651 HydrophobicContact CB-CD2 3.87Å; P638-F651 HydrophobicContact CB-CE2 3.68Å; P638-F651 HydrophobicContact CG-CD2 4.29Å; P638-F651 HydrophobicContact CG-CE2 3.62Å; P638-F651 HydrophobicContact CG-CZ 4.37Å; R639-F651 HydrophobicContact CG-CD1 3.55Å; R639-F651 HydrophobicContact CG-CD2 4.39Å; R639-F651 HydrophobicContact CG-CE1 3.56Å; R639-F651 HydrophobicContact CG-CE2 4.4Å; R639-F651 HydrophobicContact CG-CG 3.98Å; R639-F651 HydrophobicContact CG-CZ 4Å; Y642-F651 HydrophobicContact CD2-CB 4.46Å; Y642-F651 HydrophobicContact CD2-CD2 4.22Å; Y642-F651 HydrophobicContact CG-CB 4.48Å; F651-H653 VanDerWaalsContact C-N 3.32Å; F651-H653 PolarHBondContact O-N 2.85Å; F651-I654 PolarHBondContact O-N 3.44Å; F651-Y655 HydrophobicContact CE2-CD2 4.47Å; F651-Y655 HydrophobicContact CZ-CD2 4.07Å; F651-Y655 HydrophobicContact CZ-CG 4.23Å; F651-Y655 VanDerWaalsContact O-CB 3.3Å; F651-Y655 WeakPolarHBondContact O-CB 3.2Å; F651-Y655 PolarHBondContact O-N 2.95Å
652P91.8Very high88.2Confident72 Ų7273.5 Ų73.547%0.46837%0.37SS..Hα-helixtrans-59.1-40.4-179-25.535.9000113.4Y655 I656P652-Y655 PolarHBondContact O-N 2.99Å; P652-I656 WeakPolarHBondContact O-CB 3.47Å; P652-I656 VanDerWaalsContact O-CG1 3.24Å; P652-I656 WeakPolarHBondContact O-CG1 3.46Å; P652-I656 PolarHBondContact O-N 3.46Å
653H89.6Confident88.1Confident105 Ų10580.2 Ų80.249%0.48640%0.399SS..Hα-helixtrans-67.1-44.2178.8-74.882.5000111.7G647 S650 F651 Y655 I656 R657G647-H653 PolarHBondContact O-ND1 3.49Å; S650-H653 PolarHBondContact O-N 3.15Å; S650-H653 PolarHBondContact OG-ND1 3.25Å; F651-H653 VanDerWaalsContact C-N 3.32Å; F651-H653 PolarHBondContact O-N 2.85Å; H653-Y655 VanDerWaalsContact C-N 3.35Å; H653-I656 PolarHBondContact O-N 2.8Å; H653-R657 WeakPolarHBondContact O-CB 3.37Å; H653-R657 PolarHBondContact O-N 3.39Å
654I89.4Confident88.1Confident24 Ų2474.6 Ų74.612%0.12338%0.38CS..Hα-helixtrans-64-43.8178-66.6174.9000110.3Y642 Y649 S650 F651 R657 A658Y642-I654 HydrophobicContact CD1-CD1 3.49Å; Y642-I654 VanDerWaalsContact CD1-CD1 3.49Å; Y642-I654 HydrophobicContact CD2-CD1 4.41Å; Y642-I654 HydrophobicContact CE1-CD1 3.08Å; Y642-I654 HydrophobicContact CE2-CD1 4.12Å; Y642-I654 HydrophobicContact CE2-CG2 4.44Å; Y642-I654 HydrophobicContact CG-CD1 4.17Å; Y642-I654 VanDerWaalsContact CZ-CD1 3.46Å; Y649-I654 WeakPolarHBondContact O-CD1 3.49Å; S650-I654 PolarHBondContact O-N 2.91Å; S650-I654 VanDerWaalsContact O-N 3.17Å; F651-I654 PolarHBondContact O-N 3.44Å; I654-R657 PolarHBondContact O-N 3.07Å; I654-A658 WeakPolarHBondContact O-CB 3.21Å; I654-A658 PolarHBondContact O-N 3.14Å
655Y92.1Very high88Confident58 Ų5877.6 Ų77.623%0.22739%0.389CS..Hα-helixtrans-61.9-48.2177.5179-99000112I605 H608 L635 F651 P652 H653 R657 A658 V659I605-Y655 HydrophobicContact CG1-CD2 4.42Å; I605-Y655 HydrophobicContact CG2-CD2 4.26Å; I605-Y655 HydrophobicContact CG2-CE2 4.49Å; H608-Y655 AromaticContact CD2-CE2 3.77Å; H608-Y655 PolarHBondContact CD2-OH 2.81Å; H608-Y655 AromaticContact NE2-CE2 3.93Å; H608-Y655 AromaticContact NE2-CZ 3.79Å; H608-Y655 PolarHBondContact NE2-OH 2.94Å; L635-Y655 HydrophobicContact CD1-CD2 4.47Å; L635-Y655 HydrophobicContact CD1-CE2 3.9Å; L635-Y655 HydrophobicContact CD2-CD2 4.19Å; L635-Y655 HydrophobicContact CD2-CE2 3.94Å; F651-Y655 HydrophobicContact CE2-CD2 4.47Å; F651-Y655 HydrophobicContact CZ-CD2 4.07Å; F651-Y655 HydrophobicContact CZ-CG 4.23Å; F651-Y655 VanDerWaalsContact O-CB 3.3Å; F651-Y655 WeakPolarHBondContact O-CB 3.2Å; F651-Y655 PolarHBondContact O-N 2.95Å; P652-Y655 PolarHBondContact O-N 2.99Å; H653-Y655 VanDerWaalsContact C-N 3.35Å; Y655-R657 VanDerWaalsContact C-N 3.33Å; Y655-R657 PolarHBondContact O-N 2.56Å; Y655-A658 PolarHBondContact O-N 3.27Å; Y655-V659 HydrophobicContact CD1-CG2 4.3Å; Y655-V659 HydrophobicContact CD2-CG2 4.37Å; Y655-V659 HydrophobicContact CE1-CG2 3.9Å; Y655-V659 HydrophobicContact CE2-CG2 4Å; Y655-V659 WeakPolarHBondContact O-CG2 3.32Å; Y655-V659 PolarHBondContact O-N 3.13Å
656I90.7Very high87.8Confident116 Ų11680.4 Ų80.460%0.59540%0.403SS*.Hα-helixtrans-60.8-43.8177.8-71167.4000110.8P652 H653 A658 V659 H660P652-I656 WeakPolarHBondContact O-CB 3.47Å; P652-I656 VanDerWaalsContact O-CG1 3.24Å; P652-I656 WeakPolarHBondContact O-CG1 3.46Å; P652-I656 PolarHBondContact O-N 3.46Å; H653-I656 PolarHBondContact O-N 2.8Å; I656-A658 PolarHBondContact O-N 3.19Å; I656-V659 PolarHBondContact O-N 3.42Å; I656-H660 WeakPolarHBondContact O-CB 3.35Å; I656-H660 PolarHBondContact O-N 3.15Å
657R89.3Confident87.3Confident149 Ų14979.8 Ų79.856%0.56240%0.401SS*.Hα-helixtrans-61.9-44.1177.3-175-179.4180-177.90.1111.8H653 I654 Y655 H660 A661H653-R657 WeakPolarHBondContact O-CB 3.37Å; H653-R657 PolarHBondContact O-N 3.39Å; I654-R657 PolarHBondContact O-N 3.07Å; Y655-R657 VanDerWaalsContact C-N 3.33Å; Y655-R657 PolarHBondContact O-N 2.56Å; R657-H660 PolarHBondContact O-N 3.5Å; R657-A661 WeakPolarHBondContact O-CB 3.26Å; R657-A661 PolarHBondContact O-N 3.17Å
658A89.9Confident86.9Confident7 Ų778.7 Ų78.76%0.05838%0.383CS..Hα-helixtrans-62.7-48.2177.500000111.4I605 I654 Y655 I656 H660 A661 L662 L668I605-A658 HydrophobicContact CG2-CB 3.82Å; I654-A658 WeakPolarHBondContact O-CB 3.21Å; I654-A658 PolarHBondContact O-N 3.14Å; Y655-A658 PolarHBondContact O-N 3.27Å; I656-A658 PolarHBondContact O-N 3.19Å; A658-H660 VanDerWaalsContact C-N 3.33Å; A658-H660 PolarHBondContact O-N 3.26Å; A658-A661 PolarHBondContact O-N 3.36Å; A658-L662 VanDerWaalsContact O-CG 3.29Å; A658-L662 WeakPolarHBondContact O-CG 3.19Å; A658-L662 PolarHBondContact O-N 3.39Å; A658-L668 HydrophobicContact CB-CD2 3.56Å
659V89.7Confident86Confident20 Ų2074.7 Ų74.712%0.12137%0.373CS..Hα-helixtrans-63.1-38.8177.6172.10000111.7Y609 Y655 I656 L662 K663Y609-V659 HydrophobicContact CE2-CG1 4.44Å; Y655-V659 HydrophobicContact CD1-CG2 4.3Å; Y655-V659 HydrophobicContact CD2-CG2 4.37Å; Y655-V659 HydrophobicContact CE1-CG2 3.9Å; Y655-V659 HydrophobicContact CE2-CG2 4Å; Y655-V659 WeakPolarHBondContact O-CG2 3.32Å; Y655-V659 PolarHBondContact O-N 3.13Å; I656-V659 PolarHBondContact O-N 3.42Å; V659-L662 PolarHBondContact O-N 3.28Å; V659-K663 HydrophobicContact CG1-CD 4.27Å; V659-K663 WeakPolarHBondContact O-CG 3.26Å; V659-K663 PolarHBondContact O-N 3.36Å
660H90.1Very high85.2Confident113 Ų11369.2 Ų69.252%0.52336%0.356SS..Hα-helixtrans-60.6-50174.1-178.7-81.2000110.9I656 R657 A658 L662 K663 T664I656-H660 WeakPolarHBondContact O-CB 3.35Å; I656-H660 PolarHBondContact O-N 3.15Å; R657-H660 PolarHBondContact O-N 3.5Å; A658-H660 VanDerWaalsContact C-N 3.33Å; A658-H660 PolarHBondContact O-N 3.26Å; H660-L662 VanDerWaalsContact C-N 3.3Å; H660-L662 PolarHBondContact O-N 3.31Å; H660-K663 PolarHBondContact O-N 2.71Å; H660-K663 VanDerWaalsContact O-N 3.16Å; H660-T664 PolarHBondContact O-N 2.79Å; H660-T664 PolarHBondContact O-OG1 3.39Å
661A88.4Confident83.9Confident9 Ų971.1 Ų71.17%0.07437%0.37CS..Hα-helixtrans-56.5-44.5177.400000111.8R657 A658 K663 T664 N665 Q666R657-A661 WeakPolarHBondContact O-CB 3.26Å; R657-A661 PolarHBondContact O-N 3.17Å; A658-A661 PolarHBondContact O-N 3.36Å; A661-K663 PolarHBondContact O-N 3Å; A661-T664 WeakPolarHBondContact CA-OG1 3.48Å; A661-T664 CarbonylContact O-C 3.54Å; A661-T664 PolarHBondContact O-N 3.29Å; A661-T664 PolarHBondContact O-OG1 3.42Å; A661-T664 VanDerWaalsContact O-OG1 3.09Å; A661-N665 PolarHBondContact O-N 2.86Å; A661-Q666 HydrophobicContact CB-CB 4.21Å; A661-Q666 PolarHBondContact O-N 3.23Å
662L89.3Confident82.9Confident6 Ų671.8 Ų71.83%0.03137%0.373CS..Hα-helixtrans-63.8-38.5177.6-67.9172.4000113L606 Y609 A658 V659 H660 T664 N665 L668L606-L662 HydrophobicContact CD2-CD1 4.17Å; L606-L662 HydrophobicContact CD2-CD2 3.51Å; L606-L662 HydrophobicContact CD2-CG 4.46Å; Y609-L662 HydrophobicContact CD1-CB 4.32Å; Y609-L662 HydrophobicContact CD1-CD1 3.92Å; Y609-L662 HydrophobicContact CD2-CD1 4.38Å; Y609-L662 HydrophobicContact CE1-CB 4.09Å; Y609-L662 HydrophobicContact CG-CD1 3.83Å; A658-L662 VanDerWaalsContact O-CG 3.29Å; A658-L662 WeakPolarHBondContact O-CG 3.19Å; A658-L662 PolarHBondContact O-N 3.39Å; V659-L662 PolarHBondContact O-N 3.28Å; H660-L662 VanDerWaalsContact C-N 3.3Å; H660-L662 PolarHBondContact O-N 3.31Å; L662-T664 VanDerWaalsContact C-N 3.31Å; L662-N665 PolarHBondContact O-N 3.47Å; L662-L668 HydrophobicContact CD2-CD1 4.25Å; L662-L668 HydrophobicContact CD2-CG 4.44Å
663K88.4Confident82.4Confident146 Ų14674.5 Ų74.564%0.63539%0.388SS*.Hα-helixtrans-67.7-33.3175.1-74.9177.7178.2-176.60112.4V659 H660 A661V659-K663 HydrophobicContact CG1-CD 4.27Å; V659-K663 WeakPolarHBondContact O-CG 3.26Å; V659-K663 PolarHBondContact O-N 3.36Å; H660-K663 PolarHBondContact O-N 2.71Å; H660-K663 VanDerWaalsContact O-N 3.16Å; A661-K663 PolarHBondContact O-N 3Å
664T86.6Confident82.3Confident63 Ų6370 Ų7039%0.38737%0.37SS..THydrogen-bonded Turntrans-91.58.2179.356.70000113.7H660 A661 L662 Q666H660-T664 PolarHBondContact O-N 2.79Å; H660-T664 PolarHBondContact O-OG1 3.39Å; A661-T664 WeakPolarHBondContact CA-OG1 3.48Å; A661-T664 CarbonylContact O-C 3.54Å; A661-T664 PolarHBondContact O-N 3.29Å; A661-T664 PolarHBondContact O-OG1 3.42Å; A661-T664 VanDerWaalsContact O-OG1 3.09Å; L662-T664 VanDerWaalsContact C-N 3.31Å; T664-Q666 PolarHBondContact O-N 3.2Å
665N80.7Confident82.5Confident151 Ų15169.3 Ų69.381%0.80737%0.367SS*.THydrogen-bonded Turntrans51.135.2-174.1-66.9-34.4000114.1A661 L662A661-N665 PolarHBondContact O-N 2.86Å; L662-N665 PolarHBondContact O-N 3.47Å
666Q80.9Confident82.5Confident110 Ų11067.9 Ų67.951%0.51436%0.362SS..  trans-93.7150.8175.1-72.5-173.8-16.400110.9A661 T664A661-Q666 HydrophobicContact CB-CB 4.21Å; A661-Q666 PolarHBondContact O-N 3.23Å; T664-Q666 PolarHBondContact O-N 3.2Å
667P73.8Confident82.6Confident106 Ų10662.8 Ų62.869%0.68834%0.337SS*.  trans-63.3143.1175.926.8-34000110.9V669P667-V669 PolarHBondContact O-N 2.85Å; P667-V669 VanDerWaalsContact O-N 3.11Å
668L77.3Confident82.8Confident28 Ų2855.8 Ų55.815%0.14731%0.311CS..  trans-66.6110.9174.6-80.5158000109.9L606 A658 L662 S670L606-L668 HydrophobicContact CD1-CD1 3.7Å; L606-L668 HydrophobicContact CD2-CD1 3.51Å; L606-L668 HydrophobicContact CG-CD1 3.51Å; A658-L668 HydrophobicContact CB-CD2 3.56Å; L662-L668 HydrophobicContact CD2-CD1 4.25Å; L662-L668 HydrophobicContact CD2-CG 4.44Å; L668-S670 PolarHBondContact O-N 3.42Å
669V65.1Low82.9Confident94 Ų9455.6 Ų55.657%0.5731%0.309SS*.  trans-80.1105.8173.3-176.50000108.6P667P667-V669 PolarHBondContact O-N 2.85Å; P667-V669 VanDerWaalsContact O-N 3.11Å
670S65.9Low83Confident31 Ų3155.6 Ų55.622%0.21731%0.313CS..  trans-73.6139.6171.6-170.30000110.8V599 L668 Q672V599-S670 PolarHBondContact O-OG 3.38Å; L668-S670 PolarHBondContact O-N 3.42Å; S670-Q672 PolarHBondContact OG-N 2.92Å; S670-Q672 VanDerWaalsContact OG-N 3.13Å; S670-Q672 PolarHBondContact OG-O 3.5Å; S670-Q672 VanDerWaalsContact OG-O 3.12Å
671S61.9Low83.2Confident60 Ų6051.5 Ų51.542%0.4229%0.294SS..SBendtrans-79.9-9.6169.662.50000112.7
672Q69.6Low83.4Confident40 Ų4052 Ų5219%0.18729%0.294CS..SBendtrans-117.5135.9-175.8-70-177.6-2900110.2V599 K645 S670V599-Q672 HydrophobicContact CG2-CB 3.71Å; K645-Q672 VanDerWaalsContact NZ-NE2 3.17Å; S670-Q672 PolarHBondContact OG-N 2.92Å; S670-Q672 VanDerWaalsContact OG-N 3.13Å; S670-Q672 PolarHBondContact OG-O 3.5Å; S670-Q672 VanDerWaalsContact OG-O 3.12Å
673T80.9Confident83.6Confident128 Ų12853.4 Ų53.479%0.78530%0.3SS*.  trans-80.5127.9172.651.40000109.5
674G89.2Confident84Confident10 Ų1046.9 Ų46.910%0.10327%0.272CS..  trans140.3165.9176.100000112.9L172 V599L172-G674 WeakPolarHBondContact O-CA 3.43Å; V599-G674 PolarHBondContact N-O 2.82Å; V599-G674 VanDerWaalsContact N-O 3.14Å
675L92.2Very high84.4Confident10 Ų1044 Ų445%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-121.3155.3-178.4-64.3171.3000111.4L154 L172 L173 A176 M570 V596 L597 V599L154-L675 HydrophobicContact CD1-CD2 4.35Å; L172-L675 HydrophobicContact CB-CD1 4.15Å; L172-L675 HydrophobicContact CB-CG 4.23Å; L172-L675 PolarHBondContact O-N 3.47Å; L173-L675 HydrophobicContact CB-CB 4.38Å; L173-L675 HydrophobicContact CD1-CB 4.23Å; L173-L675 WeakPolarHBondContact CD1-O 3.45Å; A176-L675 WeakPolarHBondContact CB-O 3.34Å; M570-L675 HydrophobicContact CE-CD1 3.4Å; M570-L675 VanDerWaalsContact CE-CD1 3.4Å; M570-L675 HydrophobicContact SD-CD1 3.83Å; M570-L675 HydrophobicContact SD-CD2 4.47Å; V596-L675 HydrophobicContact CB-CB 4.34Å; V596-L675 HydrophobicContact CG2-CD1 3.99Å; V596-L675 HydrophobicContact CG2-CD2 4.12Å; V596-L675 HydrophobicContact CG2-CG 4.47Å; L597-L675 CarbonylContact O-C 3.6Å; L597-L675 WeakPolarHBondContact O-CA 3.24Å; V599-L675 VanDerWaalsContact CG1-C 3.48Å; V599-L675 WeakPolarHBondContact CG1-O 3.48Å
676E92.9Very high85.1Confident29 Ų2937.6 Ų37.614%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-130.4146.8170.656.8-177.9-174.500111V596 L597 V599 K681V596-E676 CarbonylContact C-O 3.59Å; V596-E676 VanDerWaalsContact CA-O 3.24Å; V596-E676 WeakPolarHBondContact CA-O 3.5Å; V596-E676 WeakPolarHBondContact CB-O 3.24Å; L597-E676 HydrophobicContact CB-CG 4.34Å; L597-E676 PolarHBondContact N-O 3.01Å; L597-E676 PolarHBondContact O-N 3.15Å; V599-E676 HydrophobicContact CG1-CB 4.1Å; V599-E676 HydrophobicContact CG1-CG 4.34Å; E676-K681 IonicContact OE1-NZ 2.79Å; E676-K681 WeakPolarHBondContact OE2-CE 3.29Å; E676-K681 IonicContact OE2-NZ 2.68Å; E676-K681 PolarHBondContact OE2-NZ 2.84Å
677S93.3Very high85.8Confident9 Ų933.6 Ų33.66%0.06321%0.205CC..EExtended strand (participates in β ladder)trans-71.9125.9178173.90000111T679 G680 K681S677-T679 PolarHBondContact OG-N 3.18Å; S677-G680 PolarHBondContact OG-N 3.11Å; S677-G680 VanDerWaalsContact OG-N 3.11Å; S677-K681 WeakPolarHBondContact O-CG 3.45Å; S677-K681 PolarHBondContact O-N 2.89Å
678V93.5Very high86.9Confident1 Ų128.5 Ų28.51%0.00617%0.172CC..Hα-helixtrans-70-42.8174.6-179.70000110.7M145 F153 M591 C595 L597 F603 G680 K681 Y682M145-V678 HydrophobicContact CE-CG1 3.73Å; F153-V678 HydrophobicContact CD1-CG1 4.19Å; F153-V678 HydrophobicContact CD1-CG2 3.78Å; F153-V678 HydrophobicContact CE1-CB 4.45Å; F153-V678 HydrophobicContact CE1-CG1 3.62Å; F153-V678 HydrophobicContact CE1-CG2 3.96Å; F153-V678 HydrophobicContact CE2-CG1 4.06Å; F153-V678 HydrophobicContact CG-CG2 4.27Å; F153-V678 HydrophobicContact CZ-CG1 3.57Å; M591-V678 HydrophobicContact CE-CB 4.43Å; M591-V678 HydrophobicContact CE-CG1 3.61Å; C595-V678 HydrophobicContact CB-CB 3.97Å; C595-V678 HydrophobicContact CB-CG2 4.14Å; C595-V678 PolarHBondContact O-N 3.37Å; L597-V678 HydrophobicContact CB-CG2 4.31Å; L597-V678 HydrophobicContact CD1-CG2 3.89Å; L597-V678 HydrophobicContact CG-CG2 3.7Å; F603-V678 HydrophobicContact CE2-CG1 4.2Å; V678-G680 VanDerWaalsContact C-N 3.27Å; V678-G680 PolarHBondContact O-N 3.47Å; V678-K681 WeakPolarHBondContact O-CB 3.31Å; V678-K681 PolarHBondContact O-N 2.71Å; V678-Y682 PolarHBondContact O-N 3.34Å
679T91.6Very high87.8Confident3 Ų327.2 Ų27.22%0.01817%0.165CC..Hα-helixtrans-57.1-42.7176.2-500000111.2S677 K681 Y682 Q683S677-T679 PolarHBondContact OG-N 3.18Å; T679-K681 VanDerWaalsContact C-N 3.33Å; T679-K681 PolarHBondContact O-N 3.08Å; T679-Y682 PolarHBondContact O-N 3.13Å; T679-Q683 WeakPolarHBondContact O-CB 3.48Å; T679-Q683 WeakPolarHBondContact O-CG 3.5Å; T679-Q683 PolarHBondContact O-N 3.23Å
680G92.1Very high89.2Confident20 Ų2027.2 Ų27.221%0.20616%0.159CC..Hα-helixtrans-60.4-40.3175.200000112.9S677 V678 L684S677-G680 PolarHBondContact OG-N 3.11Å; S677-G680 VanDerWaalsContact OG-N 3.11Å; V678-G680 VanDerWaalsContact C-N 3.27Å; V678-G680 PolarHBondContact O-N 3.47Å; G680-L684 VanDerWaalsContact O-CB 3.3Å; G680-L684 WeakPolarHBondContact O-CB 3.31Å; G680-L684 PolarHBondContact O-N 2.85Å
681K93.6Very high90.6Very high27 Ų2725.8 Ų25.812%0.11715%0.149CC..Hα-helixtrans-69.3-41.9177.1-67.5-73.8-173.8156.10113F603 E604 E676 S677 V678 T679 L684 L685F603-K681 HydrophobicContact CB-CG 4.32Å; F603-K681 HydrophobicContact CD1-CB 3.71Å; F603-K681 HydrophobicContact CD1-CD 4.1Å; F603-K681 HydrophobicContact CD1-CG 4.04Å; F603-K681 HydrophobicContact CD2-CB 3.96Å; F603-K681 HydrophobicContact CD2-CG 4.32Å; F603-K681 HydrophobicContact CE1-CB 3.67Å; F603-K681 HydrophobicContact CE1-CG 4.49Å; F603-K681 HydrophobicContact CE2-CB 3.91Å; F603-K681 HydrophobicContact CG-CB 3.86Å; F603-K681 HydrophobicContact CG-CD 4.34Å; F603-K681 HydrophobicContact CG-CG 3.95Å; F603-K681 HydrophobicContact CZ-CB 3.77Å; E604-K681 IonicContact OE1-NZ 3.14Å; E604-K681 PolarHBondContact OE1-NZ 3.44Å; E604-K681 IonicContact OE2-NZ 3.85Å; E676-K681 IonicContact OE1-NZ 2.79Å; E676-K681 WeakPolarHBondContact OE2-CE 3.29Å; E676-K681 IonicContact OE2-NZ 2.68Å; E676-K681 PolarHBondContact OE2-NZ 2.84Å; S677-K681 WeakPolarHBondContact O-CG 3.45Å; S677-K681 PolarHBondContact O-N 2.89Å; V678-K681 WeakPolarHBondContact O-CB 3.31Å; V678-K681 PolarHBondContact O-N 2.71Å; T679-K681 VanDerWaalsContact C-N 3.33Å; T679-K681 PolarHBondContact O-N 3.08Å; K681-L684 WeakPolarHBondContact O-CB 3.31Å; K681-L684 PolarHBondContact O-N 3.33Å; K681-L685 PolarHBondContact O-N 2.88Å
682Y93.4Very high92.2Very high20 Ų2023 Ų238%0.07813%0.129CC..Hα-helixtrans-60.4-50.2174.7175.5-88.6000110.9L141 D142 M145 L428 L430 V678 T679 L684 L685 T686L141-Y682 HydrophobicContact CD2-CD2 4.06Å; L141-Y682 HydrophobicContact CD2-CE2 3.59Å; L141-Y682 HydrophobicContact CG-CD2 4.34Å; L141-Y682 HydrophobicContact CG-CE2 3.91Å; D142-Y682 WeakPolarHBondContact OD1-CE2 3.17Å; D142-Y682 PolarHBondContact OD1-OH 3.13Å; M145-Y682 HydrophobicContact CE-CD2 4.13Å; M145-Y682 HydrophobicContact CG-CD2 3.89Å; M145-Y682 HydrophobicContact CG-CE2 4.19Å; M145-Y682 HydrophobicContact SD-CD2 4.32Å; L428-Y682 HydrophobicContact CD1-CD1 4.14Å; L428-Y682 HydrophobicContact CD1-CE1 4.07Å; L428-Y682 HydrophobicContact CD2-CD1 3.4Å; L428-Y682 HydrophobicContact CD2-CD2 4.29Å; L428-Y682 HydrophobicContact CD2-CE1 3.7Å; L428-Y682 HydrophobicContact CD2-CG 3.73Å; L428-Y682 HydrophobicContact CG-CD1 4.37Å; L428-Y682 HydrophobicContact CG-CE1 4.35Å; L430-Y682 HydrophobicContact CD2-CE2 3.83Å; V678-Y682 PolarHBondContact O-N 3.34Å; T679-Y682 PolarHBondContact O-N 3.13Å; Y682-L684 VanDerWaalsContact C-N 3.27Å; Y682-L684 PolarHBondContact O-N 3.47Å; Y682-L685 PolarHBondContact O-N 3.13Å; Y682-L685 VanDerWaalsContact O-N 3.15Å; Y682-T686 PolarHBondContact O-N 2.93Å; Y682-T686 PolarHBondContact O-OG1 3.41Å
683Q93.6Very high93.3Very high36 Ų3622.2 Ų22.217%0.16813%0.127CC..Hα-helixtrans-61.4-36.4177.9-72.7178-9.300112.2T79 T679 S687T79-Q683 HydrophobicContact CG2-CB 4.05Å; T679-Q683 WeakPolarHBondContact O-CB 3.48Å; T679-Q683 WeakPolarHBondContact O-CG 3.5Å; T679-Q683 PolarHBondContact O-N 3.23Å; Q683-S687 VanDerWaalsContact O-CB 3.3Å; Q683-S687 WeakPolarHBondContact O-CB 3.43Å; Q683-S687 PolarHBondContact O-N 3.46Å; Q683-S687 PolarHBondContact O-OG 3.16Å
684L96.1Very high93.8Very high9 Ų921.5 Ų21.55%0.04711%0.113CC..Hα-helixtrans-60.6-50.4173.6173.369.5000111.4H75 T85 F86 G680 K681 Y682 T686 S687 V688H75-L684 WeakPolarHBondContact CE1-CA 3.47Å; H75-L684 PolarHBondContact CE1-N 3Å; T85-L684 HydrophobicContact CG2-CD2 3.45Å; T85-L684 VanDerWaalsContact CG2-CD2 3.45Å; F86-L684 HydrophobicContact CB-CD1 3.7Å; F86-L684 HydrophobicContact CD2-CD1 3.96Å; F86-L684 HydrophobicContact CG-CD1 4.28Å; G680-L684 VanDerWaalsContact O-CB 3.3Å; G680-L684 WeakPolarHBondContact O-CB 3.31Å; G680-L684 PolarHBondContact O-N 2.85Å; K681-L684 WeakPolarHBondContact O-CB 3.31Å; K681-L684 PolarHBondContact O-N 3.33Å; Y682-L684 VanDerWaalsContact C-N 3.27Å; Y682-L684 PolarHBondContact O-N 3.47Å; L684-T686 PolarHBondContact O-N 3.43Å; L684-S687 PolarHBondContact O-N 2.99Å; L684-V688 HydrophobicContact CD1-CG2 4.25Å; L684-V688 WeakPolarHBondContact O-CG2 3.24Å; L684-V688 PolarHBondContact O-N 2.95Å
685L95.3Very high93.9Very high3 Ų321.5 Ų21.52%0.01611%0.111CC..Hα-helixtrans-59.4-49.8179.8-171.9135.1000110.8F89 L141 L607 L634 K681 Y682 S687 V688 L689F89-L685 HydrophobicContact CE1-CD1 4.01Å; F89-L685 HydrophobicContact CE1-CG 3.93Å; F89-L685 HydrophobicContact CZ-CD1 4.13Å; F89-L685 HydrophobicContact CZ-CG 4.43Å; L141-L685 HydrophobicContact CD1-CD2 3.68Å; L141-L685 HydrophobicContact CD2-CD2 3.28Å; L141-L685 HydrophobicContact CG-CD2 4.07Å; L607-L685 HydrophobicContact CD2-CD1 3.43Å; L607-L685 VanDerWaalsContact CD2-CD1 3.43Å; L634-L685 HydrophobicContact CD2-CD1 3.96Å; K681-L685 PolarHBondContact O-N 2.88Å; Y682-L685 PolarHBondContact O-N 3.13Å; Y682-L685 VanDerWaalsContact O-N 3.15Å; L685-S687 VanDerWaalsContact C-N 3.33Å; L685-S687 PolarHBondContact O-N 3.32Å; L685-V688 PolarHBondContact O-N 3.2Å; L685-L689 HydrophobicContact CD2-CD1 3.6Å; L685-L689 HydrophobicContact CD2-CG 4.22Å; L685-L689 HydrophobicContact CG-CD1 4.42Å; L685-L689 WeakPolarHBondContact O-CG 3.48Å; L685-L689 PolarHBondContact O-N 3.25Å
686T94Very high93.7Very high16 Ų1621.2 Ų21.210%0.09811%0.109CC..Hα-helixtrans-56.3-44.9175.3-66.70000112.4Q137 Y682 L684 V688 L689 Q690Q137-T686 HydrophobicContact CG-CG2 4.37Å; Q137-T686 VanDerWaalsContact NE2-CG2 3.26Å; Y682-T686 PolarHBondContact O-N 2.93Å; Y682-T686 PolarHBondContact O-OG1 3.41Å; L684-T686 PolarHBondContact O-N 3.43Å; T686-V688 VanDerWaalsContact C-N 3.35Å; T686-V688 PolarHBondContact O-N 2.62Å; T686-L689 PolarHBondContact O-N 2.84Å; T686-Q690 HydrophobicContact CG2-CG 4.49Å; T686-Q690 WeakPolarHBondContact O-CB 3.4Å; T686-Q690 VanDerWaalsContact O-CG 3.25Å; T686-Q690 WeakPolarHBondContact O-CG 3.35Å; T686-Q690 PolarHBondContact O-N 2.9Å
687S96.5Very high93.3Very high25 Ų2523.1 Ų23.118%0.17512%0.123CC..Hα-helixtrans-66-37.1-179.8-54.80000112.2H75 Q683 L684 L685 C691H75-S687 WeakPolarHBondContact ND1-CB 3.34Å; H75-S687 PolarHBondContact ND1-OG 2.8Å; Q683-S687 VanDerWaalsContact O-CB 3.3Å; Q683-S687 WeakPolarHBondContact O-CB 3.43Å; Q683-S687 PolarHBondContact O-N 3.46Å; Q683-S687 PolarHBondContact O-OG 3.16Å; L684-S687 PolarHBondContact O-N 2.99Å; L685-S687 VanDerWaalsContact C-N 3.33Å; L685-S687 PolarHBondContact O-N 3.32Å; S687-C691 WeakPolarHBondContact O-CB 3.49Å; S687-C691 PolarHBondContact O-N 2.87Å
688V97.8Very high92.8Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-68.5-44.8175.9171.90000111F86 F89 L90 L93 L684 L685 T686 Q690 C691 L692F86-V688 HydrophobicContact CB-CG2 4.05Å; F86-V688 HydrophobicContact CD1-CG2 3.86Å; F86-V688 HydrophobicContact CD2-CG2 3.47Å; F86-V688 VanDerWaalsContact CD2-CG2 3.47Å; F86-V688 HydrophobicContact CE1-CG2 4.14Å; F86-V688 HydrophobicContact CE2-CG2 3.79Å; F86-V688 HydrophobicContact CG-CG2 3.49Å; F86-V688 VanDerWaalsContact CG-CG2 3.49Å; F86-V688 HydrophobicContact CZ-CG2 4.1Å; F89-V688 HydrophobicContact CB-CG1 4.42Å; F89-V688 HydrophobicContact CD1-CB 3.81Å; F89-V688 HydrophobicContact CD1-CG1 3.56Å; F89-V688 HydrophobicContact CD1-CG2 3.96Å; F89-V688 HydrophobicContact CE1-CB 4.24Å; F89-V688 HydrophobicContact CE1-CG1 4.04Å; F89-V688 HydrophobicContact CG-CG1 4.16Å; L90-V688 HydrophobicContact CB-CG1 4.03Å; L90-V688 HydrophobicContact CD1-CG1 4.34Å; L93-V688 HydrophobicContact CD1-CG1 3.65Å; L684-V688 HydrophobicContact CD1-CG2 4.25Å; L684-V688 WeakPolarHBondContact O-CG2 3.24Å; L684-V688 PolarHBondContact O-N 2.95Å; L685-V688 PolarHBondContact O-N 3.2Å; T686-V688 VanDerWaalsContact C-N 3.35Å; T686-V688 PolarHBondContact O-N 2.62Å; V688-Q690 VanDerWaalsContact C-N 3.34Å; V688-Q690 PolarHBondContact O-N 3.22Å; V688-C691 WeakPolarHBondContact O-CB 3.41Å; V688-C691 PolarHBondContact O-N 3.44Å; V688-L692 WeakPolarHBondContact O-CB 3.3Å; V688-L692 PolarHBondContact O-N 3Å
689L95.7Very high91.8Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-61.9-42.9177.2-65.2-177.3000111.2L93 L133 F136 Q137 I630 L685 T686 C691 L692 T693L93-L689 HydrophobicContact CD1-CD2 4.19Å; L133-L689 HydrophobicContact CD2-CD2 4.06Å; F136-L689 HydrophobicContact CD1-CD1 3.88Å; F136-L689 HydrophobicContact CE1-CD1 4.1Å; Q137-L689 HydrophobicContact CB-CD1 4.38Å; Q137-L689 HydrophobicContact CG-CD1 4.47Å; I630-L689 HydrophobicContact CD1-CD1 4.46Å; I630-L689 HydrophobicContact CD1-CD2 3.93Å; I630-L689 HydrophobicContact CG1-CD2 4.28Å; L685-L689 HydrophobicContact CD2-CD1 3.6Å; L685-L689 HydrophobicContact CD2-CG 4.22Å; L685-L689 HydrophobicContact CG-CD1 4.42Å; L685-L689 WeakPolarHBondContact O-CG 3.48Å; L685-L689 PolarHBondContact O-N 3.25Å; T686-L689 PolarHBondContact O-N 2.84Å; L689-C691 VanDerWaalsContact C-N 3.34Å; L689-C691 PolarHBondContact O-N 3.37Å; L689-L692 WeakPolarHBondContact O-CB 3Å; L689-L692 PolarHBondContact O-N 3.4Å; L689-T693 PolarHBondContact O-N 3.27Å; L689-T693 PolarHBondContact O-OG1 3.25Å; L689-T693 VanDerWaalsContact O-OG1 3.06Å
690Q94.6Very high91.1Very high94 Ų9432.1 Ų32.144%0.43917%0.169SC..Hα-helixtrans-61.3-40.7174.5-73.3174.3-3.700112.7T686 V688 K694T686-Q690 HydrophobicContact CG2-CG 4.49Å; T686-Q690 WeakPolarHBondContact O-CB 3.4Å; T686-Q690 VanDerWaalsContact O-CG 3.25Å; T686-Q690 WeakPolarHBondContact O-CG 3.35Å; T686-Q690 PolarHBondContact O-N 2.9Å; V688-Q690 VanDerWaalsContact C-N 3.34Å; V688-Q690 PolarHBondContact O-N 3.22Å; Q690-K694 WeakPolarHBondContact O-CG 3.44Å; Q690-K694 PolarHBondContact O-N 2.88Å
691C95.9Very high90.4Very high1 Ų132.7 Ų32.71%0.00717%0.169CC..Hα-helixtrans-64.3-43174.8-176.10000111.5C71 F86 S687 V688 L689 K694 I695C71-C691 HydrophobicContact CB-CB 4.01Å; C71-C691 VanDerWaalsContact SG-SG 3.65Å; F86-C691 HydrophobicContact CE1-CB 4.07Å; F86-C691 HydrophobicContact CZ-CB 3.62Å; S687-C691 WeakPolarHBondContact O-CB 3.49Å; S687-C691 PolarHBondContact O-N 2.87Å; V688-C691 WeakPolarHBondContact O-CB 3.41Å; V688-C691 PolarHBondContact O-N 3.44Å; L689-C691 VanDerWaalsContact C-N 3.34Å; L689-C691 PolarHBondContact O-N 3.37Å; C691-K694 WeakPolarHBondContact O-CB 3.37Å; C691-K694 PolarHBondContact O-N 3.42Å; C691-I695 WeakPolarHBondContact O-CG1 3.15Å; C691-I695 PolarHBondContact O-N 3.37Å
692L95.3Very high89.8Confident2 Ų236.5 Ų36.51%0.0119%0.189CC..Hα-helixtrans-62.1-46.7175.9-17961.2000111.6L90 L93 L94 L97 L133 V688 L689 K694 I695 L696L90-L692 HydrophobicContact CD1-CB 3.94Å; L90-L692 HydrophobicContact CD1-CD1 4.12Å; L93-L692 HydrophobicContact CB-CD2 3.91Å; L93-L692 HydrophobicContact CD1-CD2 3.95Å; L93-L692 HydrophobicContact CG-CD2 4.38Å; L94-L692 HydrophobicContact CD2-CD1 3.65Å; L94-L692 HydrophobicContact CG-CD1 4.15Å; L97-L692 HydrophobicContact CD1-CD1 3.92Å; L97-L692 HydrophobicContact CD1-CD2 4.05Å; L97-L692 HydrophobicContact CD1-CG 4.4Å; L133-L692 HydrophobicContact CD1-CD2 3.75Å; L133-L692 HydrophobicContact CD1-CG 3.93Å; L133-L692 HydrophobicContact CD2-CD2 4.37Å; V688-L692 WeakPolarHBondContact O-CB 3.3Å; V688-L692 PolarHBondContact O-N 3Å; L689-L692 WeakPolarHBondContact O-CB 3Å; L689-L692 PolarHBondContact O-N 3.4Å; L692-K694 VanDerWaalsContact C-N 3.29Å; L692-K694 PolarHBondContact O-N 3.5Å; L692-I695 WeakPolarHBondContact O-CB 3.33Å; L692-I695 PolarHBondContact O-N 3.11Å; L692-I695 VanDerWaalsContact O-N 3.08Å; L692-L696 HydrophobicContact CD1-CD1 4.34Å; L692-L696 HydrophobicContact CD1-CD2 4.44Å; L692-L696 HydrophobicContact CD1-CG 4.12Å; L692-L696 HydrophobicContact CG-CD1 4.1Å; L692-L696 HydrophobicContact CG-CG 4.28Å; L692-L696 VanDerWaalsContact O-CG 3.31Å; L692-L696 WeakPolarHBondContact O-CG 3.5Å; L692-L696 PolarHBondContact O-N 3.12Å
693T92.4Very high89Confident24 Ų2439.3 Ų39.315%0.14721%0.208CC..Hα-helixtrans-54.2-46.6174.5-62.80000110.7V134 L689 I695 L696 T697V134-T693 HydrophobicContact CG2-CG2 4.2Å; L689-T693 PolarHBondContact O-N 3.27Å; L689-T693 PolarHBondContact O-OG1 3.25Å; L689-T693 VanDerWaalsContact O-OG1 3.06Å; T693-I695 PolarHBondContact O-N 2.94Å; T693-L696 PolarHBondContact O-N 3.34Å; T693-T697 WeakPolarHBondContact O-CG2 3.48Å; T693-T697 PolarHBondContact O-N 2.92Å; T693-T697 PolarHBondContact O-OG1 3.39Å
694K91.4Very high88.3Confident112 Ų11242.1 Ų42.149%0.48723%0.228SC..Hα-helixtrans-58.1-47.3174.9-71.7175.8-177.7-177.60112M67 Q690 C691 L692 L696 T697 I698M67-K694 HydrophobicContact SD-CB 4.28Å; Q690-K694 WeakPolarHBondContact O-CG 3.44Å; Q690-K694 PolarHBondContact O-N 2.88Å; C691-K694 WeakPolarHBondContact O-CB 3.37Å; C691-K694 PolarHBondContact O-N 3.42Å; L692-K694 VanDerWaalsContact C-N 3.29Å; L692-K694 PolarHBondContact O-N 3.5Å; K694-L696 VanDerWaalsContact C-N 3.34Å; K694-L696 PolarHBondContact O-N 3.13Å; K694-T697 PolarHBondContact O-N 3.4Å; K694-T697 PolarHBondContact O-OG1 3.14Å; K694-I698 WeakPolarHBondContact O-CG1 3.33Å
695I91.1Very high87.2Confident10 Ų1049.6 Ų49.65%0.05126%0.26CS..Hα-helixtrans-57.7-46.7176.8-68.4166.5000111.1A14 M67 I68 L90 L94 C691 L692 T693 T697 I698A14-I695 HydrophobicContact CB-CG2 3.47Å; A14-I695 VanDerWaalsContact CB-CG2 3.47Å; M67-I695 HydrophobicContact CE-CB 4.26Å; M67-I695 HydrophobicContact CE-CD1 4.23Å; M67-I695 HydrophobicContact CE-CG1 3.22Å; I68-I695 HydrophobicContact CD1-CD1 4.13Å; I68-I695 HydrophobicContact CG1-CD1 4.03Å; L90-I695 HydrophobicContact CD1-CD1 4.1Å; L90-I695 HydrophobicContact CD2-CD1 4.02Å; L94-I695 HydrophobicContact CD2-CG2 4.43Å; C691-I695 WeakPolarHBondContact O-CG1 3.15Å; C691-I695 PolarHBondContact O-N 3.37Å; L692-I695 WeakPolarHBondContact O-CB 3.33Å; L692-I695 PolarHBondContact O-N 3.11Å; L692-I695 VanDerWaalsContact O-N 3.08Å; T693-I695 PolarHBondContact O-N 2.94Å; I695-T697 VanDerWaalsContact C-N 3.26Å; I695-T697 PolarHBondContact O-N 2.63Å; I695-I698 WeakPolarHBondContact O-CB 3.39Å; I695-I698 PolarHBondContact O-N 3.42Å
696L87.3Confident85.8Confident4 Ų460.7 Ų60.72%0.02130%0.302CS..Hα-helixtrans-68.1-24.4-177.3-67.7-175.9000113.3V11 L97 W126 I129 L133 L692 T693 K694 I698V11-L696 HydrophobicContact CG2-CD2 3.56Å; L97-L696 HydrophobicContact CD1-CD1 4.18Å; L97-L696 HydrophobicContact CD1-CD2 4.21Å; W126-L696 HydrophobicContact CB-CB 4.19Å; W126-L696 HydrophobicContact CB-CD2 4.38Å; W126-L696 WeakPolarHBondContact CB-O 3.36Å; W126-L696 HydrophobicContact CD2-CD2 4.13Å; W126-L696 HydrophobicContact CE3-CD2 3.67Å; W126-L696 HydrophobicContact CG-CD2 4.44Å; W126-L696 HydrophobicContact CZ3-CD2 4.33Å; I129-L696 HydrophobicContact CB-CD1 4.44Å; I129-L696 HydrophobicContact CG2-CD1 3.84Å; L133-L696 HydrophobicContact CD1-CD1 3.69Å; L692-L696 HydrophobicContact CD1-CD1 4.34Å; L692-L696 HydrophobicContact CD1-CD2 4.44Å; L692-L696 HydrophobicContact CD1-CG 4.12Å; L692-L696 HydrophobicContact CG-CD1 4.1Å; L692-L696 HydrophobicContact CG-CG 4.28Å; L692-L696 VanDerWaalsContact O-CG 3.31Å; L692-L696 WeakPolarHBondContact O-CG 3.5Å; L692-L696 PolarHBondContact O-N 3.12Å; T693-L696 PolarHBondContact O-N 3.34Å; K694-L696 VanDerWaalsContact C-N 3.34Å; K694-L696 PolarHBondContact O-N 3.13Å; L696-I698 VanDerWaalsContact C-N 3.32Å
697T85.1Confident84.2Confident69 Ų6968 Ų6842%0.42333%0.334SS..THydrogen-bonded Turntrans-81.3-7.4175.1570000114.2T693 K694 I695 D699T693-T697 WeakPolarHBondContact O-CG2 3.48Å; T693-T697 PolarHBondContact O-N 2.92Å; T693-T697 PolarHBondContact O-OG1 3.39Å; K694-T697 PolarHBondContact O-N 3.4Å; K694-T697 PolarHBondContact O-OG1 3.14Å; I695-T697 VanDerWaalsContact C-N 3.26Å; I695-T697 PolarHBondContact O-N 2.63Å; T697-D699 PolarHBondContact O-N 3.1Å
698I83.3Confident82.2Confident44 Ų4472.3 Ų72.323%0.22636%0.362CS..  trans-79.3102.5178.9-61.8167.5000109.4M67 K694 I695 L696 V701M67-I698 HydrophobicContact CE-CD1 3.88Å; M67-I698 HydrophobicContact SD-CD1 3.93Å; K694-I698 WeakPolarHBondContact O-CG1 3.33Å; I695-I698 WeakPolarHBondContact O-CB 3.39Å; I695-I698 PolarHBondContact O-N 3.42Å; L696-I698 VanDerWaalsContact C-N 3.32Å; I698-V701 HydrophobicContact CG2-CG2 3.91Å
699D72Confident79.8Confident71 Ų7180.9 Ų80.938%0.3840%0.402SS..  trans-77.5-38.6175.8-69.6-41.9000111.8G9 K127 T697G9-D699 PolarHBondContact N-O 2.97Å; K127-D699 WeakPolarHBondContact CE-OD2 3.31Å; K127-D699 IonicContact NZ-OD1 3.86Å; K127-D699 IonicContact NZ-OD2 2.84Å; K127-D699 PolarHBondContact NZ-OD2 2.88Å; T697-D699 PolarHBondContact O-N 3.1Å
700L76.8Confident77.3Confident88 Ų8889.5 Ų89.546%0.46144%0.439SS..EExtended strand (participates in β ladder)trans-148.3138.9-173.5-165.468.7000112.7A6 I702A6-L700 HydrophobicContact CB-CD1 4.02Å; A6-L700 HydrophobicContact CB-CD2 4.27Å; A6-L700 HydrophobicContact CB-CG 4.39Å; L700-I702 HydrophobicContact CD2-CD1 4.04Å; L700-I702 HydrophobicContact CD2-CG1 3.79Å; L700-I702 HydrophobicContact CG-CG1 4.11Å
701V78Confident75Confident31 Ų3190.6 Ų90.619%0.18845%0.452CS..EExtended strand (participates in β ladder)trans-107.9114.2171-178.80000109.4A7 P63 I698A7-V701 PolarHBondContact N-O 3.48Å; A7-V701 PolarHBondContact O-N 3.45Å; A7-V701 VanDerWaalsContact O-N 3.12Å; P63-V701 HydrophobicContact CG-CG1 3.69Å; I698-V701 HydrophobicContact CG2-CG2 3.91Å
702I80.4Confident72.3Confident107 Ų10798 Ų9855%0.54949%0.486SS..EExtended strand (participates in β ladder)trans-103.2119-179.7-54.9174.9000109.1L700 V704L700-I702 HydrophobicContact CD2-CD1 4.04Å; L700-I702 HydrophobicContact CD2-CG1 3.79Å; L700-I702 HydrophobicContact CG-CG1 4.11Å; I702-V704 HydrophobicContact CG2-CG2 4.09Å
703T76.4Confident69.7Low79 Ų79103.9 Ų103.949%0.48552%0.518SS..EExtended strand (participates in β ladder)trans-98.6113.4172.8-550000109.7
704V79.3Confident67.3Low95 Ų95111.1 Ų111.158%0.57655%0.55SS**  trans-98.9103173.6-175.70000108.6L2 I702 R706L2-V704 HydrophobicContact CD2-CG1 4Å; I702-V704 HydrophobicContact CG2-CG2 4.09Å; V704-R706 PolarHBondContact O-N 2.96Å
705K73.5Confident64.9Low166 Ų166112.6 Ų112.672%0.72256%0.563SS**  trans-75.9106170.5-67.7-175-179.6179.60108.3H707K705-H707 PolarHBondContact O-N 3.19Å
706R65.2Low62.5Low236 Ų236117.2 Ų117.289%0.89160%0.597SS**PPolyproline II helixtrans-72.8116.5163.7-77-174.1177.8177.2-0.5107.5V704V704-R706 PolarHBondContact O-N 2.96Å
707H60.5Low60.5Low170 Ų170125.5 Ų125.579%0.78764%0.635SS**PPolyproline II helixtrans-65.5136.9164.4-81.7-37.9000108.4K705 Q709K705-H707 PolarHBondContact O-N 3.19Å; H707-Q709 PolarHBondContact O-N 3.09Å
708P53.9Low58.6Low115 Ų115129.4 Ų129.475%0.74765%0.653SS**PPolyproline II helixtrans-56.1129.8170.722.9-29.9000107.9K710P708-K710 PolarHBondContact O-N 3.48Å; P708-K710 VanDerWaalsContact O-N 3.09Å
709Q47.4Very low56.6Low181 Ų181136.9 Ų136.985%0.84669%0.687SS**PPolyproline II helixtrans-54.6120.1169.6-86.2173.8-41.600106.8H707 V711H707-Q709 PolarHBondContact O-N 3.09Å; Q709-V711 VanDerWaalsContact C-N 3.29Å; Q709-V711 PolarHBondContact O-N 3.26Å
710K44.3Very low55Low181 Ų181145.5 Ų145.579%0.78773%0.732SS**  trans-59.6103.1161.9-82.1-177.3174.1-176.50105.5P708 H712P708-K710 PolarHBondContact O-N 3.48Å; P708-K710 VanDerWaalsContact O-N 3.09Å; K710-H712 PolarHBondContact O-N 3.47Å
711V44.8Very low53.9Low117 Ų117148.4 Ų148.471%0.70975%0.745SS**  trans-63.299.2158.8-178.70000104.1Q709 N713Q709-V711 VanDerWaalsContact C-N 3.29Å; Q709-V711 PolarHBondContact O-N 3.26Å; V711-N713 VanDerWaalsContact C-N 3.31Å; V711-N713 PolarHBondContact O-N 2.91Å; V711-N713 VanDerWaalsContact O-N 3.09Å
712H39.8Very low52.7Low155 Ų155154.5 Ų154.572%0.71878%0.775SS**  trans-66.9102.6161.2-90.9-74.4000104.9K710 Q714K710-H712 PolarHBondContact O-N 3.47Å; H712-Q714 PolarHBondContact O-N 3.46Å
713N40.8Very low51.1Low126 Ų126157.2 Ų157.267%0.67479%0.787SS**  trans-62.695156.1-70-8.6000105.3V711 D715V711-N713 VanDerWaalsContact C-N 3.31Å; V711-N713 PolarHBondContact O-N 2.91Å; V711-N713 VanDerWaalsContact O-N 3.09Å; N713-D715 PolarHBondContact O-N 3.06Å
714Q41.3Very low49.6Very low177 Ų177161.8 Ų161.883%0.82781%0.805SS**  trans-74.894.9152-95.3177-41.300104.8H712 S716H712-Q714 PolarHBondContact O-N 3.46Å; Q714-S716 PolarHBondContact O-N 3.12Å
715D41.9Very low47.8Very low143 Ų143165.9 Ų165.977%0.76582%0.819SS**  trans-63.194.3156-65.5-37.2000105.9N713 E717N713-D715 PolarHBondContact O-N 3.06Å; D715-E717 PolarHBondContact O-N 2.97Å
716S41.4Very low46Very low107 Ų107165.9 Ų165.975%0.74883%0.826SS**  trans-79.281.1159.854.80000107Q714 D718Q714-S716 PolarHBondContact O-N 3.12Å; S716-D718 VanDerWaalsContact C-N 3.26Å; S716-D718 PolarHBondContact O-N 3.17Å
717E43.9Very low44.7Very low178 Ų178160.9 Ų160.983%0.83282%0.821SS**  trans-70.695.8145.6-74.1-158.316500106.1D715D715-E717 PolarHBondContact O-N 2.97Å
718D44.5Very low43.5Very low150 Ų150160.2 Ų160.280%0.80282%0.824SS**  trans17694.6155.1-89.8-24.2000107S716S716-D718 VanDerWaalsContact C-N 3.26Å; S716-D718 PolarHBondContact O-N 3.17Å
719E43.2Very low42.6Very low201 Ų201164 Ų16494%0.93983%0.83SS**  177.3136119.6-93.7177.2-179.600111.5
720L37.7Very low42.2Very low252 Ų252162.5 Ų162.5100%1.31983%0.829SS**  trans-65.30175.8-82.7147.2000113.5

Retrieved 720 of 720 residues in 215.7 ms (Link to these results)

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