A0A096M1W1_POEFO Loading...

UDP-N-acetylhexosamine pyrophosphorylase

Isoform AGX1 has 2 to 3 times higher activity towards galactosamine 1-phosphate (GalNAc-1-P). Isoform AGX2 has 8 times more activity towards glucosamine 1-phosphate (GlcNAc-1-P).

AlphaFold DB , UniProt , Accession A0A096M1W1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 520 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
1M61Low77.2Confident147 Ų14773.3 Ų73.372%0.72441%0.409SS*.  0134.90-63.9-176.2-155.400106.8F36M1-F36 HydrophobicContact SD-CD1 4.09Å; M1-F36 HydrophobicContact SD-CE1 3.97Å
2D70.6Confident78.7Confident75 Ų7567.2 Ų67.240%0.40138%0.375SS..  trans-87.8120.2-179.3-175.5-9.8000109.5N4 T5D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 VanDerWaalsContact O-N 3.11Å; D2-N4 WeakPolarHBondContact OD1-CB 3.33Å; D2-N4 PolarHBondContact OD1-N 3.46Å; D2-N4 PolarHBondContact OD1-ND2 3.38Å; D2-T5 HydrophobicContact CB-CG2 4.24Å; D2-T5 PolarHBondContact O-N 3.3Å; D2-T5 VanDerWaalsContact O-N 3.12Å; D2-T5 PolarHBondContact O-OG1 2.95Å
3P66.3Low80Confident6 Ų666.3 Ų66.34%0.03938%0.381CS..THydrogen-bonded Turntrans-53.5-30.2176.1-26.235000113.1S6 V9 L21 W24P3-S6 PolarHBondContact O-N 3.47Å; P3-S6 PolarHBondContact O-OG 2.88Å; P3-V9 HydrophobicContact CB-CG2 3.63Å; P3-L21 HydrophobicContact CB-CD1 4.13Å; P3-W24 HydrophobicContact CG-CD2 3.72Å; P3-W24 HydrophobicContact CG-CE3 4.2Å; P3-W24 HydrophobicContact CG-CG 4.32Å; P3-W24 HydrophobicContact CG-CH2 3.83Å; P3-W24 HydrophobicContact CG-CZ2 3.32Å; P3-W24 HydrophobicContact CG-CZ3 4.24Å
4N65.3Low81.1Confident111 Ų11170.6 Ų70.659%0.59440%0.396SS*.THydrogen-bonded Turntrans-68.6-35.7-179.2-63.5-58.4000112.7D2 S6 V9D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 VanDerWaalsContact O-N 3.11Å; D2-N4 WeakPolarHBondContact OD1-CB 3.33Å; D2-N4 PolarHBondContact OD1-N 3.46Å; D2-N4 PolarHBondContact OD1-ND2 3.38Å; N4-S6 VanDerWaalsContact C-N 3.31Å; N4-V9 WeakPolarHBondContact OD1-CG2 3.36Å
5T60.3Low82.1Confident121 Ų12166.4 Ų66.474%0.74237%0.374SS*.THydrogen-bonded Turntrans-81.7-13.5-177.557.20000113.1D2D2-T5 HydrophobicContact CB-CG2 4.24Å; D2-T5 PolarHBondContact O-N 3.3Å; D2-T5 VanDerWaalsContact O-N 3.12Å; D2-T5 PolarHBondContact O-OG1 2.95Å
6S73.9Confident83.1Confident54 Ų5464.2 Ų64.238%0.37837%0.371SS..THydrogen-bonded Turntrans-91.8-7.4-178.771.20000115.4P3 N4 L8 F36P3-S6 PolarHBondContact O-N 3.47Å; P3-S6 PolarHBondContact O-OG 2.88Å; N4-S6 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 2.82Å; S6-L8 WeakPolarHBondContact OG-CB 3.47Å; S6-L8 PolarHBondContact OG-N 3.39Å; S6-F36 WeakPolarHBondContact OG-CE2 3Å
7G84.7Confident83.9Confident36 Ų3660.5 Ų60.537%0.37135%0.35SS..THydrogen-bonded Turntrans75.2-3.4-17000000114.8V9 Q10 K11G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.33Å; G7-Q10 PolarHBondContact O-N 2.83Å; G7-K11 PolarHBondContact O-N 2.84Å
8L89.4Confident84.7Confident7 Ų760.6 Ų60.64%0.03735%0.354CS..Hα-helixtrans-60.7-40.5-178.9178.860.3000112.8S6 Q10 K11 L12 F36 L39 F44S6-L8 PolarHBondContact O-N 2.82Å; S6-L8 WeakPolarHBondContact OG-CB 3.47Å; S6-L8 PolarHBondContact OG-N 3.39Å; L8-Q10 VanDerWaalsContact C-N 3.31Å; L8-Q10 PolarHBondContact O-N 2.87Å; L8-K11 PolarHBondContact O-N 2.91Å; L8-L12 HydrophobicContact CD1-CD1 4.17Å; L8-L12 HydrophobicContact CD1-CG 4.1Å; L8-L12 HydrophobicContact CG-CD1 4.05Å; L8-L12 HydrophobicContact CG-CG 4.42Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.23Å; L8-F36 HydrophobicContact CB-CE2 4.38Å; L8-F36 HydrophobicContact CD2-CD2 3.66Å; L8-F36 HydrophobicContact CD2-CE2 3.9Å; L8-L39 HydrophobicContact CD1-CB 3.89Å; L8-L39 HydrophobicContact CD2-CB 4.01Å; L8-L39 HydrophobicContact CD2-CD1 4.08Å; L8-F44 HydrophobicContact CD1-CE2 4.48Å
9V91.3Very high85.3Confident51 Ų5160.2 Ų60.231%0.30935%0.348SS..Hα-helixtrans-60.2-43.2178.4173.70000111.2P3 N4 G7 A13 L21P3-V9 HydrophobicContact CB-CG2 3.63Å; N4-V9 WeakPolarHBondContact OD1-CG2 3.36Å; G7-V9 VanDerWaalsContact C-N 3.34Å; G7-V9 PolarHBondContact O-N 3.33Å; V9-A13 WeakPolarHBondContact O-CB 3.49Å; V9-A13 PolarHBondContact O-N 3.14Å; V9-L21 HydrophobicContact CG2-CD1 3.86Å
10Q92.5Very high85.9Confident123 Ų12357.3 Ų57.358%0.57533%0.331SS*.Hα-helixtrans-65.7-47.1176.6-179177.4-8.900111G7 L8 L12 A13 E14G7-Q10 PolarHBondContact O-N 2.83Å; L8-Q10 VanDerWaalsContact C-N 3.31Å; L8-Q10 PolarHBondContact O-N 2.87Å; Q10-L12 VanDerWaalsContact C-N 3.3Å; Q10-L12 PolarHBondContact O-N 3.18Å; Q10-A13 PolarHBondContact O-N 2.87Å; Q10-A13 VanDerWaalsContact O-N 3.09Å; Q10-E14 HydrophobicContact CG-CG 4.33Å; Q10-E14 VanDerWaalsContact CG-OE1 3.28Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.19Å; Q10-E14 PolarHBondContact NE2-OE1 2.94Å; Q10-E14 WeakPolarHBondContact O-CG 3.36Å; Q10-E14 PolarHBondContact O-N 2.78Å
11K93.9Very high86.4Confident75 Ų7556 Ų5633%0.32632%0.323SS..Hα-helixtrans-56-43.3177.5-173.4-177.8178.2-174.50112.2G7 L8 A15 Q40 M42 F44G7-K11 PolarHBondContact O-N 2.84Å; L8-K11 PolarHBondContact O-N 2.91Å; K11-A15 PolarHBondContact O-N 3.12Å; K11-Q40 PolarHBondContact NZ-O 3.14Å; K11-M42 VanDerWaalsContact CE-O 3.27Å; K11-M42 WeakPolarHBondContact CE-O 3.43Å; K11-M42 PolarHBondContact NZ-O 2.95Å; K11-F44 HydrophobicContact CD-CD2 4.19Å; K11-F44 HydrophobicContact CD-CE2 4.29Å; K11-F44 HydrophobicContact CG-CD2 4.1Å
12L95.8Very high88Confident0 Ų052.9 Ų52.90%031%0.307CS..Hα-helixtrans-68.5-40.4176.1-71.1171.9000112.1L8 Q10 A15 G16 Q17 L20 L21 L39 F44L8-L12 HydrophobicContact CD1-CD1 4.17Å; L8-L12 HydrophobicContact CD1-CG 4.1Å; L8-L12 HydrophobicContact CG-CD1 4.05Å; L8-L12 HydrophobicContact CG-CG 4.42Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.23Å; Q10-L12 VanDerWaalsContact C-N 3.3Å; Q10-L12 PolarHBondContact O-N 3.18Å; L12-A15 CarbonylContact O-C 3.57Å; L12-A15 PolarHBondContact O-N 3.23Å; L12-G16 CarbonylContact O-C 3.59Å; L12-G16 PolarHBondContact O-N 2.69Å; L12-Q17 HydrophobicContact CD2-CB 3.93Å; L12-Q17 PolarHBondContact O-N 2.99Å; L12-L20 HydrophobicContact CD2-CD1 4.04Å; L12-L21 HydrophobicContact CD1-CD1 3.62Å; L12-L21 HydrophobicContact CD1-CD2 4.31Å; L12-L21 HydrophobicContact CD1-CG 3.66Å; L12-L39 HydrophobicContact CD1-CD1 4.37Å; L12-L39 HydrophobicContact CD2-CD2 4.4Å; L12-F44 HydrophobicContact CD2-CD1 4.3Å; L12-F44 HydrophobicContact CD2-CD2 4.03Å; L12-F44 HydrophobicContact CD2-CE1 3.86Å; L12-F44 HydrophobicContact CD2-CE2 3.57Å; L12-F44 HydrophobicContact CD2-CG 4.39Å; L12-F44 HydrophobicContact CD2-CZ 3.48Å; L12-F44 VanDerWaalsContact CD2-CZ 3.48Å; L12-F44 HydrophobicContact CG-CE2 4.39Å
13A95.1Very high89.2Confident56 Ų5649.6 Ų49.646%0.46329%0.289SS..Hα-helixtrans-63.4-45.1177.300000112V9 Q10 A15 G16 S18V9-A13 WeakPolarHBondContact O-CB 3.49Å; V9-A13 PolarHBondContact O-N 3.14Å; Q10-A13 PolarHBondContact O-N 2.87Å; Q10-A13 VanDerWaalsContact O-N 3.09Å; A13-A15 VanDerWaalsContact C-N 3.29Å; A13-A15 PolarHBondContact O-N 3.4Å; A13-G16 PolarHBondContact O-N 2.86Å; A13-S18 VanDerWaalsContact CA-OG 3.28Å; A13-S18 WeakPolarHBondContact CA-OG 3.43Å; A13-S18 PolarHBondContact N-OG 3.11Å
14E95.8Very high90.6Very high126 Ų12651 Ų5159%0.58929%0.294SS*.Hα-helixtrans-60.4-37.8176.5-72.8172.7-175.600112.2Q10 G16Q10-E14 HydrophobicContact CG-CG 4.33Å; Q10-E14 VanDerWaalsContact CG-OE1 3.28Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.19Å; Q10-E14 PolarHBondContact NE2-OE1 2.94Å; Q10-E14 WeakPolarHBondContact O-CG 3.36Å; Q10-E14 PolarHBondContact O-N 2.78Å; E14-G16 VanDerWaalsContact C-N 3.31Å
15A96.4Very high91.9Very high8 Ų855.3 Ų55.37%0.06631%0.307CS..THydrogen-bonded Turntrans-84.3-2175.700000114.1K11 L12 A13 Q17 F44 L45 N48K11-A15 PolarHBondContact O-N 3.12Å; L12-A15 CarbonylContact O-C 3.57Å; L12-A15 PolarHBondContact O-N 3.23Å; A13-A15 VanDerWaalsContact C-N 3.29Å; A13-A15 PolarHBondContact O-N 3.4Å; A15-Q17 VanDerWaalsContact C-N 3.31Å; A15-Q17 HydrophobicContact CB-CG 4.23Å; A15-Q17 PolarHBondContact O-N 3.07Å; A15-F44 HydrophobicContact CB-CB 3.38Å; A15-F44 HydrophobicContact CB-CG 4.33Å; A15-L45 HydrophobicContact CB-CD2 4.15Å; A15-N48 PolarHBondContact O-ND2 3.23Å
16G97.1Very high93.6Very high31 Ų3155.5 Ų55.532%0.3230%0.3SS..THydrogen-bonded Turntrans66.925.6-176.200000114.6L12 A13 E14 K208L12-G16 CarbonylContact O-C 3.59Å; L12-G16 PolarHBondContact O-N 2.69Å; A13-G16 PolarHBondContact O-N 2.86Å; E14-G16 VanDerWaalsContact C-N 3.31Å; G16-K208 PolarHBondContact O-NZ 3.19Å
17Q97.8Very high94.6Very high2 Ų253.5 Ų53.51%0.00929%0.285CS..  trans-112.125-177.6-55.2-65.6-10.900112.7L12 A15 H19 L20 F44 N48 G207 I209L12-Q17 HydrophobicContact CD2-CB 3.93Å; L12-Q17 PolarHBondContact O-N 2.99Å; A15-Q17 VanDerWaalsContact C-N 3.31Å; A15-Q17 HydrophobicContact CB-CG 4.23Å; A15-Q17 PolarHBondContact O-N 3.07Å; Q17-H19 PolarHBondContact O-N 3.31Å; Q17-H19 VanDerWaalsContact O-N 3.13Å; Q17-H19 PolarHBondContact OE1-CE1 2.84Å; Q17-L20 HydrophobicContact CB-CD1 4.04Å; Q17-L20 HydrophobicContact CB-CG 4.38Å; Q17-L20 WeakPolarHBondContact O-CB 3.23Å; Q17-L20 WeakPolarHBondContact O-CG 3.3Å; Q17-L20 PolarHBondContact O-N 2.89Å; Q17-F44 HydrophobicContact CG-CD1 4.32Å; Q17-N48 PolarHBondContact NE2-OD1 3.32Å; Q17-G207 PolarHBondContact NE2-O 2.81Å; Q17-I209 HydrophobicContact CG-CD1 4.29Å; Q17-I209 VanDerWaalsContact OE1-N 3.07Å
18S96.9Very high95.1Very high61 Ų6154.5 Ų54.543%0.42729%0.286SS..G310 helixtrans-60.6-22.3-178.4-550000114.5A13 L20 L21A13-S18 VanDerWaalsContact CA-OG 3.28Å; A13-S18 WeakPolarHBondContact CA-OG 3.43Å; A13-S18 PolarHBondContact N-OG 3.11Å; S18-L20 PolarHBondContact O-N 3.47Å; S18-L20 VanDerWaalsContact O-N 3.16Å; S18-L21 PolarHBondContact O-N 2.63Å
19H96.7Very high95.3Very high54 Ų5459.3 Ų59.325%0.2532%0.316CS..G310 helixtrans-63.2-18.3178.170.7-60.1000112.7Q17 L21 Q22 I209Q17-H19 PolarHBondContact O-N 3.31Å; Q17-H19 VanDerWaalsContact O-N 3.13Å; Q17-H19 PolarHBondContact OE1-CE1 2.84Å; H19-L21 PolarHBondContact O-N 2.85Å; H19-L21 VanDerWaalsContact O-N 3.14Å; H19-Q22 VanDerWaalsContact O-CB 3.25Å; H19-Q22 WeakPolarHBondContact O-CB 3.4Å; H19-Q22 WeakPolarHBondContact O-CG 3.38Å; H19-Q22 PolarHBondContact O-N 3.13Å; H19-I209 PolarHBondContact NE2-O 2.78Å
20L96.8Very high95.4Very high1 Ų163.6 Ų63.61%0.00533%0.33CS..G310 helixtrans-63.4-16.2175.3-61.6-177.6000113.8L12 Q17 S18 L39 F44 I209 L211 L217L12-L20 HydrophobicContact CD2-CD1 4.04Å; Q17-L20 HydrophobicContact CB-CD1 4.04Å; Q17-L20 HydrophobicContact CB-CG 4.38Å; Q17-L20 WeakPolarHBondContact O-CB 3.23Å; Q17-L20 WeakPolarHBondContact O-CG 3.3Å; Q17-L20 PolarHBondContact O-N 2.89Å; S18-L20 PolarHBondContact O-N 3.47Å; S18-L20 VanDerWaalsContact O-N 3.16Å; L20-L39 HydrophobicContact CB-CD2 4.15Å; L20-L39 HydrophobicContact CD1-CD2 3.59Å; L20-L39 HydrophobicContact CG-CD2 4.49Å; L20-F44 HydrophobicContact CD1-CE1 4.02Å; L20-I209 HydrophobicContact CD1-CB 4.11Å; L20-I209 HydrophobicContact CD1-CD1 4.06Å; L20-I209 HydrophobicContact CD1-CG2 4.16Å; L20-I209 HydrophobicContact CD2-CB 3.95Å; L20-I209 HydrophobicContact CD2-CG2 3.8Å; L20-L211 HydrophobicContact CD2-CD2 4.13Å; L20-L211 HydrophobicContact CD2-CG 3.99Å; L20-L217 HydrophobicContact CD1-CD2 4.04Å; L20-L217 HydrophobicContact CD2-CD2 3.71Å; L20-L217 HydrophobicContact CG-CD2 4.35Å
21L96Very high95.5Very high30 Ų3061.5 Ų61.516%0.15732%0.32CS..G310 helixtrans-10310175.3-61.4179.1000113.2P3 V9 L12 S18 H19 F23 W24 L39P3-L21 HydrophobicContact CB-CD1 4.13Å; V9-L21 HydrophobicContact CG2-CD1 3.86Å; L12-L21 HydrophobicContact CD1-CD1 3.62Å; L12-L21 HydrophobicContact CD1-CD2 4.31Å; L12-L21 HydrophobicContact CD1-CG 3.66Å; S18-L21 PolarHBondContact O-N 2.63Å; H19-L21 PolarHBondContact O-N 2.85Å; H19-L21 VanDerWaalsContact O-N 3.14Å; L21-F23 PolarHBondContact O-N 2.86Å; L21-W24 HydrophobicContact CB-CB 4.36Å; L21-W24 HydrophobicContact CD2-CD2 4.27Å; L21-W24 HydrophobicContact CD2-CE3 3.58Å; L21-W24 HydrophobicContact CD2-CZ3 4.11Å; L21-W24 VanDerWaalsContact O-CB 3.22Å; L21-W24 WeakPolarHBondContact O-CB 3.5Å; L21-W24 PolarHBondContact O-N 3.42Å; L21-L39 HydrophobicContact CD2-CD1 3.78Å
22Q95.3Very high95.6Very high83 Ų8359.8 Ų59.839%0.38831%0.313SS..THydrogen-bonded Turntrans-59.1-32.9-172.569.8-173.4-1900113.7H19H19-Q22 VanDerWaalsContact O-CB 3.25Å; H19-Q22 WeakPolarHBondContact O-CB 3.4Å; H19-Q22 WeakPolarHBondContact O-CG 3.38Å; H19-Q22 PolarHBondContact O-N 3.13Å
23F96.3Very high95.4Very high6 Ų664.2 Ų64.23%0.02633%0.334CS..THydrogen-bonded Turntrans-97.65.8178.3-57.2-64.9000113.8L21 K25 E26 L27 L211 Q214 V362 D363L21-F23 PolarHBondContact O-N 2.86Å; F23-K25 PolarHBondContact O-N 3.3Å; F23-E26 WeakPolarHBondContact O-CA 3.48Å; F23-E26 WeakPolarHBondContact O-CB 3.35Å; F23-E26 PolarHBondContact O-N 3.4Å; F23-L27 WeakPolarHBondContact O-CG 3.18Å; F23-L27 PolarHBondContact O-N 3.22Å; F23-L211 HydrophobicContact CD2-CD1 4.3Å; F23-L211 HydrophobicContact CE2-CD1 4.37Å; F23-Q214 HydrophobicContact CB-CB 3.75Å; F23-Q214 HydrophobicContact CB-CG 4.1Å; F23-Q214 HydrophobicContact CD1-CG 4Å; F23-Q214 HydrophobicContact CD2-CB 3.79Å; F23-Q214 HydrophobicContact CD2-CG 3.76Å; F23-Q214 HydrophobicContact CE1-CG 4.44Å; F23-Q214 HydrophobicContact CE2-CG 4.18Å; F23-Q214 HydrophobicContact CG-CB 3.78Å; F23-Q214 HydrophobicContact CG-CG 3.66Å; F23-V362 HydrophobicContact CE2-CG1 3.88Å; F23-V362 HydrophobicContact CE2-CG2 4.05Å; F23-V362 HydrophobicContact CZ-CG2 4.25Å; F23-D363 WeakPolarHBondContact CZ-O 3.28Å
24W94.8Very high95.2Very high35 Ų3565.9 Ų65.913%0.13333%0.332CS..THydrogen-bonded Turntrans-52-37.9-168.5-177.8-91.5000114.1P3 L21 E26 L27 Q32 L35 F36P3-W24 HydrophobicContact CG-CD2 3.72Å; P3-W24 HydrophobicContact CG-CE3 4.2Å; P3-W24 HydrophobicContact CG-CG 4.32Å; P3-W24 HydrophobicContact CG-CH2 3.83Å; P3-W24 HydrophobicContact CG-CZ2 3.32Å; P3-W24 HydrophobicContact CG-CZ3 4.24Å; L21-W24 HydrophobicContact CB-CB 4.36Å; L21-W24 HydrophobicContact CD2-CD2 4.27Å; L21-W24 HydrophobicContact CD2-CE3 3.58Å; L21-W24 HydrophobicContact CD2-CZ3 4.11Å; L21-W24 VanDerWaalsContact O-CB 3.22Å; L21-W24 WeakPolarHBondContact O-CB 3.5Å; L21-W24 PolarHBondContact O-N 3.42Å; W24-E26 VanDerWaalsContact C-N 3.29Å; W24-E26 PolarHBondContact O-N 2.94Å; W24-L27 HydrophobicContact CE3-CD1 4.41Å; W24-L27 PolarHBondContact O-N 3.05Å; W24-Q32 HydrophobicContact CD2-CG 4.09Å; W24-Q32 HydrophobicContact CE3-CG 4.32Å; W24-Q32 HydrophobicContact CH2-CB 3.59Å; W24-Q32 HydrophobicContact CH2-CG 4.03Å; W24-Q32 WeakPolarHBondContact CH2-O 3.43Å; W24-Q32 HydrophobicContact CZ2-CB 3.62Å; W24-Q32 HydrophobicContact CZ2-CG 3.74Å; W24-Q32 HydrophobicContact CZ3-CB 4.11Å; W24-Q32 HydrophobicContact CZ3-CG 4.31Å; W24-Q32 WeakPolarHBondContact CZ3-O 3.44Å; W24-Q32 PolarHBondContact O-NE2 2.73Å; W24-L35 HydrophobicContact CE3-CD2 4.07Å; W24-L35 HydrophobicContact CZ3-CB 4.38Å; W24-L35 HydrophobicContact CZ3-CD2 4.19Å; W24-L35 HydrophobicContact CZ3-CG 4.42Å; W24-F36 HydrophobicContact CH2-CB 4.07Å; W24-F36 HydrophobicContact CZ3-CB 4.5Å
25K94.3Very high95.2Very high201 Ų20160 Ų6087%0.87431%0.305SS*.THydrogen-bonded Turntrans-73-19.6-179.8-64.7-176.9-178.8177.90113.9F23F23-K25 PolarHBondContact O-N 3.3Å
26E94.3Very high95.1Very high126 Ų12660.2 Ų60.259%0.58930%0.304SS*.THydrogen-bonded Turntrans-90.8-18.9179.8-61.8169.6-146.700111.8F23 W24 Q214F23-E26 WeakPolarHBondContact O-CA 3.48Å; F23-E26 WeakPolarHBondContact O-CB 3.35Å; F23-E26 PolarHBondContact O-N 3.4Å; W24-E26 VanDerWaalsContact C-N 3.29Å; W24-E26 PolarHBondContact O-N 2.94Å; E26-Q214 PolarHBondContact OE2-NE2 2.87Å
27L95.3Very high94.8Very high12 Ų1264 Ų646%0.06331%0.314CS..SBendtrans-71.8144.5-179.2-60.7-176.3000112.5F23 W24 E31 Q32 L35 Q214F23-L27 WeakPolarHBondContact O-CG 3.18Å; F23-L27 PolarHBondContact O-N 3.22Å; W24-L27 HydrophobicContact CE3-CD1 4.41Å; W24-L27 PolarHBondContact O-N 3.05Å; L27-E31 HydrophobicContact CB-CB 4.02Å; L27-E31 HydrophobicContact CD1-CB 4.47Å; L27-E31 HydrophobicContact CD2-CB 4.28Å; L27-E31 HydrophobicContact CG-CB 4.47Å; L27-Q32 HydrophobicContact CB-CG 3.69Å; L27-Q32 HydrophobicContact CD1-CG 4.41Å; L27-L35 HydrophobicContact CD1-CD2 3.78Å; L27-Q214 HydrophobicContact CD2-CB 3.82Å
28S95.4Very high94.4Very high56 Ų5667.3 Ų67.339%0.39233%0.331SS..  trans-64.6159.4165.969.10000111.4K30 E31 Q32S28-K30 PolarHBondContact O-N 3.45Å; S28-K30 VanDerWaalsContact O-N 3.13Å; S28-E31 VanDerWaalsContact CB-OE2 3.24Å; S28-E31 WeakPolarHBondContact CB-OE2 3.44Å; S28-E31 PolarHBondContact N-OE2 3.08Å; S28-E31 PolarHBondContact O-N 2.8Å; S28-E31 VanDerWaalsContact O-N 3.13Å; S28-E31 VanDerWaalsContact OG-CD 3.3Å; S28-E31 WeakPolarHBondContact OG-CG 3.36Å; S28-E31 PolarHBondContact OG-N 3.43Å; S28-E31 PolarHBondContact OG-OE2 2.9Å; S28-Q32 WeakPolarHBondContact O-CG 3.43Å; S28-Q32 PolarHBondContact O-N 2.68Å
29T94.1Very high94.3Very high109 Ų10964.4 Ų64.467%0.66931%0.311SS*.Hα-helixtrans-54.9-34.5176.8-50.60000112.8Q33T29-Q33 WeakPolarHBondContact O-CB 3.33Å; T29-Q33 PolarHBondContact O-N 3.05Å; T29-Q33 VanDerWaalsContact O-N 3.12Å
30K94.1Very high94Very high141 Ų14167.3 Ų67.361%0.61333%0.325SS*.Hα-helixtrans-69-49177.9-177.5-178.5170.3-1740111.1S28 Q32 Q33 E34S28-K30 PolarHBondContact O-N 3.45Å; S28-K30 VanDerWaalsContact O-N 3.13Å; K30-Q32 VanDerWaalsContact C-N 3.32Å; K30-Q32 PolarHBondContact O-N 2.79Å; K30-Q33 WeakPolarHBondContact O-CB 3.44Å; K30-Q33 PolarHBondContact O-N 3.41Å; K30-Q33 VanDerWaalsContact O-N 3.11Å; K30-E34 WeakPolarHBondContact CE-OE1 3.01Å; K30-E34 IonicContact NZ-OE1 3.88Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 3.45Å
31E94.3Very high93.5Very high79 Ų7970.8 Ų70.837%0.36936%0.36SS..Hα-helixtrans-63.6-38.8178.1-70.3162.2136.100111.7L27 S28 Q33 E34 L35L27-E31 HydrophobicContact CB-CB 4.02Å; L27-E31 HydrophobicContact CD1-CB 4.47Å; L27-E31 HydrophobicContact CD2-CB 4.28Å; L27-E31 HydrophobicContact CG-CB 4.47Å; S28-E31 VanDerWaalsContact CB-OE2 3.24Å; S28-E31 WeakPolarHBondContact CB-OE2 3.44Å; S28-E31 PolarHBondContact N-OE2 3.08Å; S28-E31 PolarHBondContact O-N 2.8Å; S28-E31 VanDerWaalsContact O-N 3.13Å; S28-E31 VanDerWaalsContact OG-CD 3.3Å; S28-E31 WeakPolarHBondContact OG-CG 3.36Å; S28-E31 PolarHBondContact OG-N 3.43Å; S28-E31 PolarHBondContact OG-OE2 2.9Å; E31-Q33 VanDerWaalsContact C-N 3.3Å; E31-Q33 PolarHBondContact O-N 2.95Å; E31-E34 PolarHBondContact O-N 3.43Å; E31-L35 WeakPolarHBondContact O-CB 3.45Å; E31-L35 PolarHBondContact O-N 3.05Å
32Q94.6Very high93.3Very high38 Ų3870.4 Ų70.418%0.17836%0.358CS..Hα-helixtrans-57.9-43.9171.9-74.5-179.2-5.800111.5W24 L27 S28 K30 F36W24-Q32 HydrophobicContact CD2-CG 4.09Å; W24-Q32 HydrophobicContact CE3-CG 4.32Å; W24-Q32 HydrophobicContact CH2-CB 3.59Å; W24-Q32 HydrophobicContact CH2-CG 4.03Å; W24-Q32 WeakPolarHBondContact CH2-O 3.43Å; W24-Q32 HydrophobicContact CZ2-CB 3.62Å; W24-Q32 HydrophobicContact CZ2-CG 3.74Å; W24-Q32 HydrophobicContact CZ3-CB 4.11Å; W24-Q32 HydrophobicContact CZ3-CG 4.31Å; W24-Q32 WeakPolarHBondContact CZ3-O 3.44Å; W24-Q32 PolarHBondContact O-NE2 2.73Å; L27-Q32 HydrophobicContact CB-CG 3.69Å; L27-Q32 HydrophobicContact CD1-CG 4.41Å; S28-Q32 WeakPolarHBondContact O-CG 3.43Å; S28-Q32 PolarHBondContact O-N 2.68Å; K30-Q32 VanDerWaalsContact C-N 3.32Å; K30-Q32 PolarHBondContact O-N 2.79Å; Q32-F36 WeakPolarHBondContact O-CB 3.32Å; Q32-F36 PolarHBondContact O-N 3.32Å
33Q92.3Very high93.2Very high93 Ų9370.5 Ų70.544%0.43536%0.361SS..Hα-helixtrans-66.7-43.3179.6-176.5176.2-8.700112.1T29 K30 E31 F36 Q37T29-Q33 WeakPolarHBondContact O-CB 3.33Å; T29-Q33 PolarHBondContact O-N 3.05Å; T29-Q33 VanDerWaalsContact O-N 3.12Å; K30-Q33 WeakPolarHBondContact O-CB 3.44Å; K30-Q33 PolarHBondContact O-N 3.41Å; K30-Q33 VanDerWaalsContact O-N 3.11Å; E31-Q33 VanDerWaalsContact C-N 3.3Å; E31-Q33 PolarHBondContact O-N 2.95Å; Q33-F36 PolarHBondContact O-N 3.45Å; Q33-Q37 WeakPolarHBondContact O-CG 3.5Å; Q33-Q37 PolarHBondContact O-N 3.04Å; Q33-Q37 VanDerWaalsContact O-N 3.08Å
34E91.8Very high93.2Very high92 Ų9270.2 Ų70.243%0.4336%0.36SS..Hα-helixtrans-63.1-51.1177.4-70.9173.7177.400110.9K30 E31 F36 Q37 D38K30-E34 WeakPolarHBondContact CE-OE1 3.01Å; K30-E34 IonicContact NZ-OE1 3.88Å; K30-E34 WeakPolarHBondContact O-CG 3.45Å; K30-E34 PolarHBondContact O-N 3.45Å; E31-E34 PolarHBondContact O-N 3.43Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.14Å; E34-Q37 PolarHBondContact O-N 3.45Å; E34-D38 PolarHBondContact O-N 2.91Å
35L94.4Very high93.3Very high1 Ų173.6 Ų73.61%0.00538%0.38CS..Hα-helixtrans-60-40.2177.2-178.259.3000111.9W24 L27 E31 D38 L39 G215 L217W24-L35 HydrophobicContact CE3-CD2 4.07Å; W24-L35 HydrophobicContact CZ3-CB 4.38Å; W24-L35 HydrophobicContact CZ3-CD2 4.19Å; W24-L35 HydrophobicContact CZ3-CG 4.42Å; L27-L35 HydrophobicContact CD1-CD2 3.78Å; E31-L35 WeakPolarHBondContact O-CB 3.45Å; E31-L35 PolarHBondContact O-N 3.05Å; L35-D38 PolarHBondContact O-N 3.17Å; L35-L39 HydrophobicContact CD1-CD1 3.88Å; L35-L39 HydrophobicContact CD1-CD2 4.48Å; L35-L39 HydrophobicContact CD1-CG 3.95Å; L35-L39 HydrophobicContact CD2-CD1 4.37Å; L35-L39 HydrophobicContact CG-CD1 3.74Å; L35-L39 HydrophobicContact CG-CG 4.25Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 2.78Å; L35-G215 WeakPolarHBondContact CB-O 3.43Å; L35-L217 HydrophobicContact CD1-CD2 4.41Å; L35-L217 HydrophobicContact CD1-CG 4.21Å
36F93.9Very high93.3Very high14 Ų1466.7 Ų66.76%0.06135%0.351CS..Hα-helixtrans-60.5-45.7177.2-178.5-94.7000112.1M1 S6 L8 W24 Q32 Q33 E34 L39 Q40M1-F36 HydrophobicContact SD-CD1 4.09Å; M1-F36 HydrophobicContact SD-CE1 3.97Å; S6-F36 WeakPolarHBondContact OG-CE2 3Å; L8-F36 HydrophobicContact CB-CE2 4.38Å; L8-F36 HydrophobicContact CD2-CD2 3.66Å; L8-F36 HydrophobicContact CD2-CE2 3.9Å; W24-F36 HydrophobicContact CH2-CB 4.07Å; W24-F36 HydrophobicContact CZ3-CB 4.5Å; Q32-F36 WeakPolarHBondContact O-CB 3.32Å; Q32-F36 PolarHBondContact O-N 3.32Å; Q33-F36 PolarHBondContact O-N 3.45Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.14Å; F36-L39 PolarHBondContact O-N 3.35Å; F36-Q40 HydrophobicContact CE1-CB 4.48Å; F36-Q40 VanDerWaalsContact O-CB 3.23Å; F36-Q40 WeakPolarHBondContact O-CB 3.19Å; F36-Q40 PolarHBondContact O-N 2.99Å
37Q90.9Very high93.3Very high110 Ų11061.1 Ų61.151%0.51433%0.325SS..Hα-helixtrans-62.5-45.1178.8-74176.9-7.100111.3Q33 E34 L39 Q40 G41Q33-Q37 WeakPolarHBondContact O-CG 3.5Å; Q33-Q37 PolarHBondContact O-N 3.04Å; Q33-Q37 VanDerWaalsContact O-N 3.08Å; E34-Q37 PolarHBondContact O-N 3.45Å; Q37-L39 PolarHBondContact O-N 3.39Å; Q37-Q40 PolarHBondContact O-N 3.31Å; Q37-G41 PolarHBondContact O-N 3.35Å
38D90.6Very high93.3Very high72 Ų7262.7 Ų62.739%0.38533%0.334SS..Hα-helixtrans-57.9-49.8176-78.2-10.2000111.3E34 L35 M42 L217E34-D38 PolarHBondContact O-N 2.91Å; L35-D38 PolarHBondContact O-N 3.17Å; D38-M42 HydrophobicContact CB-CE 4.44Å; D38-M42 WeakPolarHBondContact O-CG 3.41Å; D38-L217 HydrophobicContact CB-CD1 4.07Å
39L93.8Very high93.3Very high0 Ų067.5 Ų67.50%035%0.348CS..Hα-helixtrans-69.7-34.9-177.6-66.8172.3000113.1L8 L12 L20 L21 L35 F36 Q37 G41 M42 F44 L217L8-L39 HydrophobicContact CD1-CB 3.89Å; L8-L39 HydrophobicContact CD2-CB 4.01Å; L8-L39 HydrophobicContact CD2-CD1 4.08Å; L12-L39 HydrophobicContact CD1-CD1 4.37Å; L12-L39 HydrophobicContact CD2-CD2 4.4Å; L20-L39 HydrophobicContact CB-CD2 4.15Å; L20-L39 HydrophobicContact CD1-CD2 3.59Å; L20-L39 HydrophobicContact CG-CD2 4.49Å; L21-L39 HydrophobicContact CD2-CD1 3.78Å; L35-L39 HydrophobicContact CD1-CD1 3.88Å; L35-L39 HydrophobicContact CD1-CD2 4.48Å; L35-L39 HydrophobicContact CD1-CG 3.95Å; L35-L39 HydrophobicContact CD2-CD1 4.37Å; L35-L39 HydrophobicContact CG-CD1 3.74Å; L35-L39 HydrophobicContact CG-CG 4.25Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 2.78Å; F36-L39 PolarHBondContact O-N 3.35Å; Q37-L39 PolarHBondContact O-N 3.39Å; L39-G41 VanDerWaalsContact C-N 3.32Å; L39-G41 PolarHBondContact O-N 3.49Å; L39-M42 PolarHBondContact O-N 3.12Å; L39-F44 HydrophobicContact CB-CZ 4.17Å; L39-F44 HydrophobicContact CD2-CE1 4.1Å; L39-F44 HydrophobicContact CD2-CZ 3.7Å; L39-F44 WeakPolarHBondContact O-CE2 3.29Å; L39-F44 WeakPolarHBondContact O-CZ 3.41Å; L39-L217 HydrophobicContact CD2-CD1 3.84Å; L39-L217 HydrophobicContact CD2-CD2 4.15Å; L39-L217 HydrophobicContact CG-CD1 4.46Å
40Q90.4Very high93.3Very high115 Ų11563.8 Ų63.854%0.53732%0.322SS..Hα-helixtrans-65.3-38.8-179.4-171.3177.117.300111.4K11 F36 Q37 M42K11-Q40 PolarHBondContact NZ-O 3.14Å; F36-Q40 HydrophobicContact CE1-CB 4.48Å; F36-Q40 VanDerWaalsContact O-CB 3.23Å; F36-Q40 WeakPolarHBondContact O-CB 3.19Å; F36-Q40 PolarHBondContact O-N 2.99Å; Q37-Q40 PolarHBondContact O-N 3.31Å; Q40-M42 VanDerWaalsContact C-N 3.29Å; Q40-M42 PolarHBondContact O-N 3.27Å
41G86.8Confident93.3Very high73 Ų7358.2 Ų58.275%0.75330%0.298SS*.THydrogen-bonded Turntrans-74-10.3-178.900000115.6Q37 L39Q37-G41 PolarHBondContact O-N 3.35Å; L39-G41 VanDerWaalsContact C-N 3.32Å; L39-G41 PolarHBondContact O-N 3.49Å
42M91.5Very high93.2Very high23 Ų2360.8 Ų60.811%0.11331%0.308CS..  trans-92141.9-176.3-69.4-176.4-161.300113.3K11 D38 L39 Q40 F44 I47 L217 M219K11-M42 VanDerWaalsContact CE-O 3.27Å; K11-M42 WeakPolarHBondContact CE-O 3.43Å; K11-M42 PolarHBondContact NZ-O 2.95Å; D38-M42 HydrophobicContact CB-CE 4.44Å; D38-M42 WeakPolarHBondContact O-CG 3.41Å; L39-M42 PolarHBondContact O-N 3.12Å; Q40-M42 VanDerWaalsContact C-N 3.29Å; Q40-M42 PolarHBondContact O-N 3.27Å; M42-F44 HydrophobicContact CB-CD1 4.38Å; M42-F44 HydrophobicContact CB-CE1 3.94Å; M42-F44 HydrophobicContact CB-CE2 4.28Å; M42-F44 HydrophobicContact CB-CZ 3.88Å; M42-F44 HydrophobicContact SD-CE1 4.11Å; M42-I47 HydrophobicContact CB-CD1 4.17Å; M42-I47 HydrophobicContact CG-CD1 4.46Å; M42-I47 HydrophobicContact SD-CD1 4.41Å; M42-L217 HydrophobicContact CE-CD1 3.24Å; M42-L217 HydrophobicContact SD-CD1 3.83Å; M42-M219 HydrophobicContact CE-CE 3.46Å; M42-M219 VanDerWaalsContact CE-CE 3.46Å; M42-M219 HydrophobicContact CE-SD 3.62Å; M42-M219 HydrophobicContact SD-CE 4.48Å
43D94.2Very high93Very high84 Ų8461.2 Ų61.245%0.44932%0.315SS..  trans-96.294.1165-171-24.1000109.8L45 E46 I47D43-L45 VanDerWaalsContact C-N 3.29Å; D43-L45 PolarHBondContact O-N 2.97Å; D43-L45 PolarHBondContact OD1-N 2.93Å; D43-L45 VanDerWaalsContact OD1-N 3.12Å; D43-E46 HydrophobicContact CB-CB 3.86Å; D43-E46 VanDerWaalsContact CG-CB 3.48Å; D43-E46 PolarHBondContact O-N 3.37Å; D43-E46 PolarHBondContact OD1-N 2.97Å; D43-I47 WeakPolarHBondContact O-CD1 3.33Å; D43-I47 VanDerWaalsContact O-CG1 3.25Å; D43-I47 WeakPolarHBondContact O-CG1 3.42Å; D43-I47 PolarHBondContact O-N 3.07Å
44F95.8Very high92.8Very high1 Ų156.9 Ų56.90%0.00430%0.295CS..Hα-helixtrans-67.5-27.8-177.4-58.3-74.2000113.4L8 K11 L12 A15 Q17 L20 L39 M42 N48 I209L8-F44 HydrophobicContact CD1-CE2 4.48Å; K11-F44 HydrophobicContact CD-CD2 4.19Å; K11-F44 HydrophobicContact CD-CE2 4.29Å; K11-F44 HydrophobicContact CG-CD2 4.1Å; L12-F44 HydrophobicContact CD2-CD1 4.3Å; L12-F44 HydrophobicContact CD2-CD2 4.03Å; L12-F44 HydrophobicContact CD2-CE1 3.86Å; L12-F44 HydrophobicContact CD2-CE2 3.57Å; L12-F44 HydrophobicContact CD2-CG 4.39Å; L12-F44 HydrophobicContact CD2-CZ 3.48Å; L12-F44 VanDerWaalsContact CD2-CZ 3.48Å; L12-F44 HydrophobicContact CG-CE2 4.39Å; A15-F44 HydrophobicContact CB-CB 3.38Å; A15-F44 HydrophobicContact CB-CG 4.33Å; Q17-F44 HydrophobicContact CG-CD1 4.32Å; L20-F44 HydrophobicContact CD1-CE1 4.02Å; L39-F44 HydrophobicContact CB-CZ 4.17Å; L39-F44 HydrophobicContact CD2-CE1 4.1Å; L39-F44 HydrophobicContact CD2-CZ 3.7Å; L39-F44 WeakPolarHBondContact O-CE2 3.29Å; L39-F44 WeakPolarHBondContact O-CZ 3.41Å; M42-F44 HydrophobicContact CB-CD1 4.38Å; M42-F44 HydrophobicContact CB-CE1 3.94Å; M42-F44 HydrophobicContact CB-CE2 4.28Å; M42-F44 HydrophobicContact CB-CZ 3.88Å; M42-F44 HydrophobicContact SD-CE1 4.11Å; F44-N48 WeakPolarHBondContact O-CB 3.06Å; F44-N48 PolarHBondContact O-N 3.24Å; F44-I209 HydrophobicContact CD1-CD1 3.71Å; F44-I209 HydrophobicContact CE1-CD1 3.88Å
45L95.6Very high92.6Very high105 Ų10555.8 Ų55.855%0.5529%0.291SS..Hα-helixtrans-73.5-40.6177.9-65.3-180000110.3A15 D43 N48 K49A15-L45 HydrophobicContact CB-CD2 4.15Å; D43-L45 VanDerWaalsContact C-N 3.29Å; D43-L45 PolarHBondContact O-N 2.97Å; D43-L45 PolarHBondContact OD1-N 2.93Å; D43-L45 VanDerWaalsContact OD1-N 3.12Å; L45-N48 PolarHBondContact O-N 2.86Å; L45-K49 PolarHBondContact O-N 3.24Å
46E94.2Very high92.2Very high57 Ų5761 Ų6127%0.26632%0.315SS..Hα-helixtrans-61.3-47.2171.3-175.8176.2-130.500111.2D43 N48 K49 F50 R229D43-E46 HydrophobicContact CB-CB 3.86Å; D43-E46 VanDerWaalsContact CG-CB 3.48Å; D43-E46 PolarHBondContact O-N 3.37Å; D43-E46 PolarHBondContact OD1-N 2.97Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 3.18Å; E46-K49 WeakPolarHBondContact O-CA 3.4Å; E46-K49 WeakPolarHBondContact O-CB 3.42Å; E46-K49 PolarHBondContact O-N 2.6Å; E46-K49 VanDerWaalsContact O-N 3.08Å; E46-F50 HydrophobicContact CG-CD1 4.36Å; E46-F50 HydrophobicContact CG-CD2 4.28Å; E46-F50 HydrophobicContact CG-CE1 3.69Å; E46-F50 HydrophobicContact CG-CE2 3.6Å; E46-F50 HydrophobicContact CG-CZ 3.26Å; E46-F50 WeakPolarHBondContact O-CG 3.37Å; E46-F50 PolarHBondContact O-N 3.37Å; E46-F50 WeakPolarHBondContact OE1-CZ 3.36Å; E46-R229 IonicContact OE1-CZ 3.88Å; E46-R229 IonicContact OE1-NH1 3.36Å; E46-R229 PolarHBondContact OE1-NH1 2.82Å; E46-R229 IonicContact OE1-NH2 3.6Å; E46-R229 IonicContact OE2-CZ 3.37Å; E46-R229 IonicContact OE2-NH1 2.87Å; E46-R229 PolarHBondContact OE2-NH1 2.77Å; E46-R229 IonicContact OE2-NH2 2.87Å; E46-R229 PolarHBondContact OE2-NH2 3.5Å
47I95.1Very high91.3Very high9 Ų962.4 Ų62.45%0.04633%0.325CS..Hα-helixtrans-59-43.9177.1-68.8161.4000111.4M42 D43 K49 F50 F51 L200 P201 M203M42-I47 HydrophobicContact CB-CD1 4.17Å; M42-I47 HydrophobicContact CG-CD1 4.46Å; M42-I47 HydrophobicContact SD-CD1 4.41Å; D43-I47 WeakPolarHBondContact O-CD1 3.33Å; D43-I47 VanDerWaalsContact O-CG1 3.25Å; D43-I47 WeakPolarHBondContact O-CG1 3.42Å; D43-I47 PolarHBondContact O-N 3.07Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.43Å; I47-F50 WeakPolarHBondContact O-CB 3.3Å; I47-F50 PolarHBondContact O-N 3.26Å; I47-F51 PolarHBondContact O-N 2.56Å; I47-L200 HydrophobicContact CG1-CD2 4.31Å; I47-P201 HydrophobicContact CD1-CG 3.99Å; I47-P201 HydrophobicContact CG2-CG 3.95Å; I47-M203 HydrophobicContact CG2-CE 4.07Å; I47-M203 HydrophobicContact CG2-SD 3.64Å
48N95.6Very high90.3Very high44 Ų4459.7 Ų59.724%0.23532%0.318CS..Hα-helixtrans-62.2-38175.9-76.2-9.6000111.9A15 Q17 F44 L45 E46 F51 K52A15-N48 PolarHBondContact O-ND2 3.23Å; Q17-N48 PolarHBondContact NE2-OD1 3.32Å; F44-N48 WeakPolarHBondContact O-CB 3.06Å; F44-N48 PolarHBondContact O-N 3.24Å; L45-N48 PolarHBondContact O-N 2.86Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 3.18Å; N48-F51 PolarHBondContact O-N 3.4Å; N48-K52 WeakPolarHBondContact O-CB 3.35Å; N48-K52 PolarHBondContact O-N 3.39Å
49K94.6Very high89Confident158 Ų15858.7 Ų58.769%0.68732%0.317SS*.Hα-helixtrans-64.9-42.3174.7-176.3-176.4175.8-173.40111.2L45 E46 I47 K52 S53L45-K49 PolarHBondContact O-N 3.24Å; E46-K49 WeakPolarHBondContact O-CA 3.4Å; E46-K49 WeakPolarHBondContact O-CB 3.42Å; E46-K49 PolarHBondContact O-N 2.6Å; E46-K49 VanDerWaalsContact O-N 3.08Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.43Å; K49-K52 PolarHBondContact O-N 2.83Å; K49-S53 WeakPolarHBondContact O-CB 3.4Å; K49-S53 PolarHBondContact O-N 2.81Å
50F94.1Very high87.1Confident30 Ų3063.3 Ų63.313%0.13235%0.349CS..Hα-helixtrans-59.8-49.3174.5-63-20000111.3E46 I47 K52 S53 A54 L200 H352 M379E46-F50 HydrophobicContact CG-CD1 4.36Å; E46-F50 HydrophobicContact CG-CD2 4.28Å; E46-F50 HydrophobicContact CG-CE1 3.69Å; E46-F50 HydrophobicContact CG-CE2 3.6Å; E46-F50 HydrophobicContact CG-CZ 3.26Å; E46-F50 WeakPolarHBondContact O-CG 3.37Å; E46-F50 PolarHBondContact O-N 3.37Å; E46-F50 WeakPolarHBondContact OE1-CZ 3.36Å; I47-F50 WeakPolarHBondContact O-CB 3.3Å; I47-F50 PolarHBondContact O-N 3.26Å; F50-K52 PolarHBondContact O-N 2.81Å; F50-S53 PolarHBondContact O-N 3.14Å; F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.47Å; F50-A54 PolarHBondContact O-N 3.44Å; F50-L200 HydrophobicContact CD2-CD2 4.19Å; F50-L200 HydrophobicContact CE2-CD2 4.4Å; F50-H352 AromaticContact CD1-CE1 3.41Å; F50-H352 VanDerWaalsContact CD1-CE1 3.41Å; F50-H352 WeakPolarHBondContact CD1-CE1 3.13Å; F50-H352 AromaticContact CD1-ND1 3.78Å; F50-H352 AromaticContact CD2-CE1 3.49Å; F50-H352 VanDerWaalsContact CD2-CE1 3.49Å; F50-H352 WeakPolarHBondContact CD2-CE1 3.33Å; F50-H352 AromaticContact CD2-NE2 3.83Å; F50-H352 AromaticContact CE1-CE1 3.67Å; F50-H352 AromaticContact CE2-CE1 3.74Å; F50-H352 AromaticContact CG-CE1 3.31Å; F50-H352 WeakPolarHBondContact CG-CE1 3.22Å; F50-H352 AromaticContact CG-ND1 3.72Å; F50-H352 AromaticContact CZ-CE1 3.81Å; F50-M379 HydrophobicContact CB-CE 4.25Å; F50-M379 HydrophobicContact CB-SD 3.93Å
51F94.3Very high85.4Confident25 Ų2562.4 Ų62.411%0.1135%0.352CS..Hα-helixtrans-55.5-50.9178-179.7-93.6000111.8I47 N48 S53 A54 M55 M203 D204 G207 I377 M379I47-F51 PolarHBondContact O-N 2.56Å; N48-F51 PolarHBondContact O-N 3.4Å; F51-S53 PolarHBondContact O-N 3.45Å; F51-A54 PolarHBondContact O-N 2.95Å; F51-M55 HydrophobicContact CD1-CG 4.21Å; F51-M55 HydrophobicContact CD2-CG 4.41Å; F51-M55 HydrophobicContact CE1-CG 3.81Å; F51-M55 HydrophobicContact CE2-CG 4.03Å; F51-M55 HydrophobicContact CE2-SD 4.39Å; F51-M55 HydrophobicContact CG-CG 4.48Å; F51-M55 HydrophobicContact CZ-CG 3.7Å; F51-M55 HydrophobicContact CZ-SD 4.29Å; F51-M55 WeakPolarHBondContact O-CB 3.49Å; F51-M55 VanDerWaalsContact O-CG 3.28Å; F51-M55 WeakPolarHBondContact O-CG 3.46Å; F51-M55 PolarHBondContact O-N 3.18Å; F51-M203 HydrophobicContact CB-CE 3.94Å; F51-M203 HydrophobicContact CB-SD 3.76Å; F51-M203 HydrophobicContact CD2-CB 3.86Å; F51-M203 HydrophobicContact CD2-CE 3.97Å; F51-M203 HydrophobicContact CD2-CG 4.37Å; F51-M203 HydrophobicContact CD2-SD 3.66Å; F51-M203 HydrophobicContact CE2-CB 3.99Å; F51-M203 HydrophobicContact CG-CE 3.98Å; F51-M203 HydrophobicContact CG-SD 4.02Å; F51-D204 VanDerWaalsContact CE2-O 3.27Å; F51-D204 WeakPolarHBondContact CE2-O 3.39Å; F51-D204 WeakPolarHBondContact CZ-O 3.48Å; F51-G207 VanDerWaalsContact CE1-CA 3.41Å; F51-G207 VanDerWaalsContact CZ-N 3.27Å; F51-I377 HydrophobicContact CD2-CD1 3.67Å; F51-I377 HydrophobicContact CD2-CG1 4.33Å; F51-I377 HydrophobicContact CE2-CD1 3.53Å; F51-I377 HydrophobicContact CE2-CG1 3.99Å; F51-M379 VanDerWaalsContact CA-SD 3.57Å; F51-M379 HydrophobicContact CB-SD 4.27Å; F51-M379 PolarHBondContact N-SD 3.39Å
52K93.3Very high84Confident132 Ų13263.9 Ų63.957%0.57434%0.338SS*.Hα-helixtrans-59.2-48.6-179.8-174.8177.8175.9-178.20111.8N48 K49 F50 A54 M55 E56N48-K52 WeakPolarHBondContact O-CB 3.35Å; N48-K52 PolarHBondContact O-N 3.39Å; K49-K52 PolarHBondContact O-N 2.83Å; F50-K52 PolarHBondContact O-N 2.81Å; K52-A54 PolarHBondContact O-N 2.79Å; K52-M55 PolarHBondContact O-N 2.97Å; K52-E56 WeakPolarHBondContact CE-OE1 3.21Å; K52-E56 WeakPolarHBondContact CG-OE1 3.49Å; K52-E56 WeakPolarHBondContact O-CG 3.39Å; K52-E56 PolarHBondContact O-N 2.78Å
53S90.1Very high82.5Confident48 Ų4866 Ų6634%0.33635%0.347SS..Hα-helixtrans-61.9-42.2179.1-1750000112.5K49 F50 F51 E56 T57K49-S53 WeakPolarHBondContact O-CB 3.4Å; K49-S53 PolarHBondContact O-N 2.81Å; F50-S53 PolarHBondContact O-N 3.14Å; F51-S53 PolarHBondContact O-N 3.45Å; S53-E56 PolarHBondContact O-N 2.92Å; S53-T57 WeakPolarHBondContact O-CB 3.17Å; S53-T57 PolarHBondContact O-N 3.16Å; S53-T57 VanDerWaalsContact O-N 3.09Å; S53-T57 PolarHBondContact O-OG1 2.96Å
54A88.4Confident80.8Confident1 Ų169.2 Ų69.21%0.00836%0.359CS..Hα-helixtrans-67.6-39.7-179.600000111.8F50 F51 K52 T57 S58 H352 V354 M379F50-A54 VanDerWaalsContact O-CB 3.27Å; F50-A54 WeakPolarHBondContact O-CB 3.47Å; F50-A54 PolarHBondContact O-N 3.44Å; F51-A54 PolarHBondContact O-N 2.95Å; K52-A54 PolarHBondContact O-N 2.79Å; A54-T57 PolarHBondContact O-N 2.93Å; A54-S58 WeakPolarHBondContact O-CB 3.46Å; A54-S58 PolarHBondContact O-N 3.17Å; A54-S58 PolarHBondContact O-OG 3.34Å; A54-H352 HydrophobicContact CB-CB 4.1Å; A54-V354 HydrophobicContact CB-CG2 3.48Å; A54-V354 VanDerWaalsContact CB-CG2 3.48Å; A54-V354 WeakPolarHBondContact O-CG2 3.45Å; A54-M379 HydrophobicContact CB-CG 4.33Å; A54-M379 HydrophobicContact CB-SD 4.23Å
55M87.8Confident79.5Confident69 Ų6976 Ų7634%0.3439%0.389SS..Hα-helixtrans-68.7-34.7175.3-68.1-57.1-65.400112.8F51 K52 T57 S58 I377F51-M55 HydrophobicContact CD1-CG 4.21Å; F51-M55 HydrophobicContact CD2-CG 4.41Å; F51-M55 HydrophobicContact CE1-CG 3.81Å; F51-M55 HydrophobicContact CE2-CG 4.03Å; F51-M55 HydrophobicContact CE2-SD 4.39Å; F51-M55 HydrophobicContact CG-CG 4.48Å; F51-M55 HydrophobicContact CZ-CG 3.7Å; F51-M55 HydrophobicContact CZ-SD 4.29Å; F51-M55 WeakPolarHBondContact O-CB 3.49Å; F51-M55 VanDerWaalsContact O-CG 3.28Å; F51-M55 WeakPolarHBondContact O-CG 3.46Å; F51-M55 PolarHBondContact O-N 3.18Å; K52-M55 PolarHBondContact O-N 2.97Å; M55-T57 VanDerWaalsContact C-N 3.3Å; M55-T57 PolarHBondContact O-N 2.9Å; M55-S58 PolarHBondContact O-OG 2.87Å; M55-I377 HydrophobicContact SD-CD1 3.88Å
56E85.3Confident78.9Confident110 Ų11072.1 Ų72.151%0.51437%0.368SS..Hα-helixtrans-68.5-29.3173.6-73.8172.4-17200112.6K52 S53 S59 K62K52-E56 WeakPolarHBondContact CE-OE1 3.21Å; K52-E56 WeakPolarHBondContact CG-OE1 3.49Å; K52-E56 WeakPolarHBondContact O-CG 3.39Å; K52-E56 PolarHBondContact O-N 2.78Å; S53-E56 PolarHBondContact O-N 2.92Å; E56-S59 PolarHBondContact O-OG 2.95Å; E56-K62 PolarHBondContact O-NZ 3.46Å
57T74.4Confident78.4Confident44 Ų4470.2 Ų70.227%0.2736%0.36SS..Hα-helixtrans-84.8-33.7-176.9-55.10000112.7S53 A54 M55 S59S53-T57 WeakPolarHBondContact O-CB 3.17Å; S53-T57 PolarHBondContact O-N 3.16Å; S53-T57 VanDerWaalsContact O-N 3.09Å; S53-T57 PolarHBondContact O-OG1 2.96Å; A54-T57 PolarHBondContact O-N 2.93Å; M55-T57 VanDerWaalsContact C-N 3.3Å; M55-T57 PolarHBondContact O-N 2.9Å; T57-S59 VanDerWaalsContact C-N 3.25Å; T57-S59 PolarHBondContact O-N 3.09Å
58S71.4Confident78.1Confident53 Ų5373.2 Ų73.237%0.37139%0.393SS..  trans-75.84-177.1540000116.1A54 M55 S60A54-S58 WeakPolarHBondContact O-CB 3.46Å; A54-S58 PolarHBondContact O-N 3.17Å; A54-S58 PolarHBondContact O-OG 3.34Å; M55-S58 PolarHBondContact O-OG 2.87Å; S58-S60 PolarHBondContact O-N 3.5Å
59S63.3Low78Confident52 Ų5276.4 Ų76.436%0.36440%0.401SS..  trans-69.8127.3179.554.70000112.7E56 T57 T61 K62E56-S59 PolarHBondContact O-OG 2.95Å; T57-S59 VanDerWaalsContact C-N 3.25Å; T57-S59 PolarHBondContact O-N 3.09Å; S59-T61 PolarHBondContact O-N 2.73Å; S59-K62 PolarHBondContact O-N 3.16Å; S59-K62 VanDerWaalsContact O-N 3.11Å
60S53.2Low78Confident97 Ų9769.6 Ų69.668%0.67837%0.372SS*.G310 helixtrans-53.9-30.5-169.151.20000115.6S58 K62 H63S58-S60 PolarHBondContact O-N 3.5Å; S60-K62 PolarHBondContact O-N 3.24Å; S60-H63 PolarHBondContact O-N 2.86Å
61T53.7Low78.1Confident96 Ų9672.9 Ų72.959%0.58939%0.388SS*.G310 helixtrans-61-10.8176.917.90000115.5S59S59-T61 PolarHBondContact O-N 2.73Å
62K58.8Low78.3Confident104 Ų10474.4 Ų74.445%0.45240%0.401SS..G310 helixtrans-90.8-26.7177.6-77.2179.2176.6169.60114.2E56 S59 S60 K65 M66E56-K62 PolarHBondContact O-NZ 3.46Å; S59-K62 PolarHBondContact O-N 3.16Å; S59-K62 VanDerWaalsContact O-N 3.11Å; S60-K62 PolarHBondContact O-N 3.24Å; K62-K65 PolarHBondContact O-N 2.72Å; K62-M66 PolarHBondContact O-N 2.81Å
63H58.6Low78.4Confident66 Ų6669.1 Ų69.131%0.30638%0.379SS..Hα-helixtrans-64.6-48.5-177.7-64.6114.7000111.8S60 K65 M66 D67S60-H63 PolarHBondContact O-N 2.86Å; H63-K65 PolarHBondContact O-N 3.12Å; H63-M66 WeakPolarHBondContact O-CB 3.36Å; H63-M66 PolarHBondContact O-N 3.21Å; H63-D67 PolarHBondContact O-N 3.42Å; H63-D67 VanDerWaalsContact O-N 3.09Å
64E58.6Low78.7Confident152 Ų15268.5 Ų68.571%0.7137%0.374SS*.Hα-helixtrans-59.8-31.5176.1-67.9-178.9168.500112.9
65K69.7Low79Confident144 Ų14477.1 Ų77.163%0.62641%0.406SS*.Hα-helixtrans-75.2-26.5175.1-68-177.8179.4-178.60112.8K62 H63 R69K62-K65 PolarHBondContact O-N 2.72Å; H63-K65 PolarHBondContact O-N 3.12Å; K65-R69 WeakPolarHBondContact O-CG 3.3Å; K65-R69 PolarHBondContact O-NE 2.97Å
66M82.8Confident79.4Confident24 Ų2480.9 Ų80.912%0.11842%0.423CS..Hα-helixtrans-74.5-49.1176.3-177.5179.564.600110.6K62 H63 G68 R69 M70 V303 E307K62-M66 PolarHBondContact O-N 2.81Å; H63-M66 WeakPolarHBondContact O-CB 3.36Å; H63-M66 PolarHBondContact O-N 3.21Å; M66-G68 VanDerWaalsContact C-N 3.26Å; M66-G68 PolarHBondContact O-N 3.02Å; M66-R69 WeakPolarHBondContact O-CA 3.06Å; M66-R69 PolarHBondContact O-N 3.46Å; M66-M70 PolarHBondContact O-N 3.46Å; M66-V303 HydrophobicContact CE-CG1 3.48Å; M66-V303 VanDerWaalsContact CE-CG1 3.48Å; M66-V303 HydrophobicContact CE-CG2 4.21Å; M66-V303 HydrophobicContact SD-CG1 4.33Å; M66-V303 HydrophobicContact SD-CG2 3.99Å; M66-E307 HydrophobicContact CE-CB 4.07Å; M66-E307 WeakPolarHBondContact CE-O 3.44Å
67D84.4Confident80Confident16 Ų1677.1 Ų77.19%0.08641%0.407CS..Hα-helixtrans-52.4-42.6179.7-78.143.7000112.8H63 R69 M70 T309 T312H63-D67 PolarHBondContact O-N 3.42Å; H63-D67 VanDerWaalsContact O-N 3.09Å; D67-R69 PolarHBondContact O-N 3.47Å; D67-M70 PolarHBondContact O-N 3.01Å; D67-T309 VanDerWaalsContact OD2-CB 3.22Å; D67-T309 WeakPolarHBondContact OD2-CB 3.44Å; D67-T309 VanDerWaalsContact OD2-CG2 3.26Å; D67-T309 WeakPolarHBondContact OD2-CG2 3.45Å; D67-T309 PolarHBondContact OD2-N 2.95Å; D67-T309 PolarHBondContact OD2-OG1 3.19Å; D67-T312 WeakPolarHBondContact CB-OG1 3.45Å; D67-T312 WeakPolarHBondContact OD2-CB 3.46Å; D67-T312 PolarHBondContact OD2-OG1 2.96Å
68G87.7Confident81.1Confident72 Ų7276.5 Ų76.574%0.74240%0.402SS*.THydrogen-bonded Turntrans-66.1-13.4177.600000115.1M66M66-G68 VanDerWaalsContact C-N 3.26Å; M66-G68 PolarHBondContact O-N 3.02Å
69R92.7Very high82.3Confident111 Ų11174.1 Ų74.142%0.41939%0.386SS..THydrogen-bonded Turntrans-108.7-1.1180-60.3179-61.3146.912.8112.7K65 M66 D67 V296 D297K65-R69 WeakPolarHBondContact O-CG 3.3Å; K65-R69 PolarHBondContact O-NE 2.97Å; M66-R69 WeakPolarHBondContact O-CA 3.06Å; M66-R69 PolarHBondContact O-N 3.46Å; D67-R69 PolarHBondContact O-N 3.47Å; R69-V296 HydrophobicContact CB-CG1 4.02Å; R69-D297 WeakPolarHBondContact CD-OD1 3.46Å; R69-D297 IonicContact CZ-OD2 3.19Å; R69-D297 IonicContact NH1-OD1 3.14Å; R69-D297 IonicContact NH1-OD2 3.3Å; R69-D297 PolarHBondContact NH1-OD2 3.26Å
70M95.5Very high84Confident15 Ų1571.7 Ų71.77%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-76.5128.7178.6-69.6174.967.600111.1M66 D67 V292 C294 K295 V296 V303 I308 T312 F324M66-M70 PolarHBondContact O-N 3.46Å; D67-M70 PolarHBondContact O-N 3.01Å; M70-V292 HydrophobicContact CE-CG2 4.01Å; M70-C294 HydrophobicContact CE-CB 4.31Å; M70-K295 WeakPolarHBondContact CA-O 3.47Å; M70-V296 HydrophobicContact CG-CG2 3.82Å; M70-V303 HydrophobicContact CE-CB 3.94Å; M70-V303 HydrophobicContact CE-CG1 4.17Å; M70-V303 HydrophobicContact CE-CG2 3.91Å; M70-V303 HydrophobicContact SD-CB 4.46Å; M70-V303 HydrophobicContact SD-CG1 4.26Å; M70-V303 HydrophobicContact SD-CG2 4.12Å; M70-I308 HydrophobicContact CE-CD1 4.06Å; M70-T312 HydrophobicContact CE-CG2 4.45Å; M70-T312 HydrophobicContact SD-CG2 4.2Å; M70-F324 HydrophobicContact CB-CE1 3.72Å; M70-F324 HydrophobicContact CB-CZ 3.63Å; M70-F324 HydrophobicContact CE-CD1 3.99Å; M70-F324 HydrophobicContact CE-CE1 4.01Å; M70-F324 HydrophobicContact CE-CG 4.34Å; M70-F324 HydrophobicContact CE-CZ 4.38Å
71E96.9Very high86.1Confident100 Ų10068.3 Ų68.347%0.46734%0.344SS..EExtended strand (participates in β ladder)trans-116.6140.8170.8-66.5171-15600109.3C294 K295E71-C294 WeakPolarHBondContact O-CB 3.45Å; E71-K295 HydrophobicContact CB-CB 4.22Å; E71-K295 PolarHBondContact N-O 3.49Å; E71-K295 PolarHBondContact O-N 3.13Å
72P96.9Very high88Confident57 Ų5766.4 Ų66.437%0.3733%0.333SS..PPolyproline II helixtrans-65.7161.4175.530.6-36.2000111.1P74 M323P72-P74 WeakPolarHBondContact O-CD 3.44Å; P72-M323 HydrophobicContact CB-CG 4.3Å; P72-M323 WeakPolarHBondContact CB-O 3.36Å; P72-M323 HydrophobicContact CG-CG 4.26Å
73V97.1Very high89.8Confident21 Ų2167.2 Ų67.213%0.12733%0.333CS..PPolyproline II helixtrans-60.5125.1176.4-179.30000109.9V77 L78 V293 A326 V395V73-V77 HydrophobicContact CG1-CG2 3.65Å; V73-L78 HydrophobicContact CG1-CB 4.32Å; V73-V293 HydrophobicContact CG2-CB 4.19Å; V73-V293 HydrophobicContact CG2-CG1 3.89Å; V73-V293 VanDerWaalsContact CG2-O 3.3Å; V73-V293 WeakPolarHBondContact CG2-O 3.37Å; V73-A326 HydrophobicContact CG2-CB 4.13Å; V73-V395 HydrophobicContact CG1-CB 4.06Å; V73-V395 HydrophobicContact CG1-CG2 3.66Å; V73-V395 HydrophobicContact CG2-CG2 4.23Å
74P95.9Very high91.6Very high34 Ų3466.7 Ų66.722%0.22133%0.332CS..PPolyproline II helixtrans-62.6146.9176.6-2132.9000111.9P72 E76 V77P72-P74 WeakPolarHBondContact O-CD 3.44Å; P74-E76 WeakPolarHBondContact CB-OE2 3.48Å; P74-E76 PolarHBondContact O-N 3.12Å; P74-V77 VanDerWaalsContact O-CG2 3.3Å; P74-V77 WeakPolarHBondContact O-CG2 3.49Å; P74-V77 PolarHBondContact O-N 3.27Å
75R93.9Very high93.4Very high182 Ų18267.9 Ų67.969%0.68733%0.33SS*.G310 helixtrans-65.2-26.5-176.8-74.7-172.1172.2-169.2-1.1112.7V77 L78R75-V77 PolarHBondContact O-N 3.15Å; R75-L78 PolarHBondContact O-N 3.39Å
76E95.9Very high94.7Very high149 Ų14969.9 Ų69.970%0.69634%0.342SS*.G310 helixtrans-67.2-27.2-174.8-58.770.5-150.600112.5P74P74-E76 WeakPolarHBondContact CB-OE2 3.48Å; P74-E76 PolarHBondContact O-N 3.12Å
77V97.4Very high95.4Very high30 Ų3070.8 Ų70.818%0.18235%0.351CS..G310 helixtrans-101.3-3.5179.2-58.60000113.1V73 P74 R75 Y300 V394 V395V73-V77 HydrophobicContact CG1-CG2 3.65Å; P74-V77 VanDerWaalsContact O-CG2 3.3Å; P74-V77 WeakPolarHBondContact O-CG2 3.49Å; P74-V77 PolarHBondContact O-N 3.27Å; R75-V77 PolarHBondContact O-N 3.15Å; V77-Y300 HydrophobicContact CG2-CE1 4.18Å; V77-Y300 WeakPolarHBondContact CG2-OH 3.21Å; V77-V394 WeakPolarHBondContact O-CA 3.48Å; V77-V395 PolarHBondContact O-N 3.31Å
78L97.8Very high96Very high32 Ų3272 Ų7217%0.16836%0.357CS..EExtended strand (participates in β ladder)trans-103.5103.8-173.4-178.366.8000111.1V73 R75 V395 E397V73-L78 HydrophobicContact CG1-CB 4.32Å; R75-L78 PolarHBondContact O-N 3.39Å; L78-V395 CarbonylContact C-O 3.6Å; L78-V395 WeakPolarHBondContact CA-O 3.41Å; L78-V395 HydrophobicContact CD1-CB 3.66Å; L78-V395 HydrophobicContact CD1-CG1 3.42Å; L78-V395 VanDerWaalsContact CD1-CG1 3.42Å; L78-E397 HydrophobicContact CD1-CB 4.23Å
79G98Very high96.5Very high3 Ų376.4 Ų76.43%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-86155.8165.800000111.7D84 V395 Y396 E397G79-D84 WeakPolarHBondContact CA-OD2 3.18Å; G79-V395 PolarHBondContact N-O 3.08Å; G79-Y396 WeakPolarHBondContact O-CA 3.48Å; G79-E397 PolarHBondContact O-N 3.14Å
80S98.1Very high96.8Very high0 Ų075.8 Ų75.80%036%0.361CS..EExtended strand (participates in β ladder)trans-147.7134-177.2-177.60000112.8T82 R83 D84 E397S80-T82 PolarHBondContact O-N 2.85Å; S80-T82 VanDerWaalsContact O-N 3.14Å; S80-T82 PolarHBondContact OG-N 2.97Å; S80-T82 PolarHBondContact OG-OG1 2.87Å; S80-T82 VanDerWaalsContact OG-OG1 3.05Å; S80-R83 PolarHBondContact O-N 3.43Å; S80-D84 PolarHBondContact N-OD2 3.03Å; S80-D84 WeakPolarHBondContact O-CB 3.15Å; S80-D84 PolarHBondContact O-N 3.32Å; S80-E397 WeakPolarHBondContact CA-O 3.32Å; S80-E397 WeakPolarHBondContact CB-OE2 3.31Å; S80-E397 PolarHBondContact OG-OE2 3.39Å
81V97.2Very high96.9Very high27 Ų2775.7 Ų75.716%0.16436%0.359CS..THydrogen-bonded Turntrans-61.1-22.9175.3-62.70000113.4R85 L88 Y396 E397 V398 L399V81-R85 WeakPolarHBondContact O-CG 3.48Å; V81-L88 HydrophobicContact CG1-CD2 4.45Å; V81-Y396 HydrophobicContact CG1-CE1 3.93Å; V81-Y396 WeakPolarHBondContact CG1-OH 3.2Å; V81-E397 PolarHBondContact N-O 3.41Å; V81-V398 HydrophobicContact CG1-CB 4.37Å; V81-V398 HydrophobicContact CG1-CG1 3.92Å; V81-L399 HydrophobicContact CG2-CG 4.01Å
82T94.8Very high96.9Very high55 Ų5574.9 Ų74.934%0.33736%0.356SS..THydrogen-bonded Turntrans-92.4-38.7-177.560.20000112.8S80 R85 L399S80-T82 PolarHBondContact O-N 2.85Å; S80-T82 VanDerWaalsContact O-N 3.14Å; S80-T82 PolarHBondContact OG-N 2.97Å; S80-T82 PolarHBondContact OG-OG1 2.87Å; S80-T82 VanDerWaalsContact OG-OG1 3.05Å; T82-R85 WeakPolarHBondContact O-CG 3.32Å; T82-R85 PolarHBondContact O-NE 3Å; T82-L399 HydrophobicContact CG2-CD1 4.34Å; T82-L399 HydrophobicContact CG2-CD2 3.64Å; T82-L399 HydrophobicContact CG2-CG 4.02Å
83R96.1Very high96.9Very high122 Ų12273.8 Ų73.846%0.4635%0.351SS..THydrogen-bonded Turntrans-88.3-34.3-176.1-66.4178.2-81.8155.1-5.4112.7S80 E397S80-R83 PolarHBondContact O-N 3.43Å; R83-E397 IonicContact CZ-OE2 3.68Å; R83-E397 IonicContact NE-OE2 3.68Å; R83-E397 IonicContact NH2-OE2 3.83Å; R83-E397 PolarHBondContact NH2-OE2 3.45Å
84D96.9Very high97Very high54 Ų5476.7 Ų76.729%0.28936%0.362SS..  trans-104.936.7-173.6-51.9-49.2000111.9G79 S80 E86 S87 W91G79-D84 WeakPolarHBondContact CA-OD2 3.18Å; S80-D84 PolarHBondContact N-OD2 3.03Å; S80-D84 WeakPolarHBondContact O-CB 3.15Å; S80-D84 PolarHBondContact O-N 3.32Å; D84-E86 PolarHBondContact O-N 3.45Å; D84-E86 VanDerWaalsContact O-N 3.08Å; D84-S87 PolarHBondContact O-N 2.89Å; D84-W91 HydrophobicContact CB-CH2 3.43Å; D84-W91 VanDerWaalsContact CB-CH2 3.43Å; D84-W91 HydrophobicContact CB-CZ2 4.37Å; D84-W91 HydrophobicContact CB-CZ3 3.92Å
85R95.9Very high97.1Very high177 Ų17775 Ų7567%0.66835%0.351SS*.G310 helixtrans-52.7-35.2-174.9-74.7-179.1-179-145.9-2.5113.6V81 T82 S87 L88V81-R85 WeakPolarHBondContact O-CG 3.48Å; T82-R85 WeakPolarHBondContact O-CG 3.32Å; T82-R85 PolarHBondContact O-NE 3Å; R85-S87 VanDerWaalsContact C-N 3.29Å; R85-S87 PolarHBondContact O-N 2.91Å; R85-L88 HydrophobicContact CG-CD1 4.47Å; R85-L88 PolarHBondContact O-N 2.81Å
86E96.8Very high97.2Very high186 Ų18667.3 Ų67.387%0.86932%0.324SS*.G310 helixtrans-67.1-29.7-179.3-61.9-175.7172.400112.4D84D84-E86 PolarHBondContact O-N 3.45Å; D84-E86 VanDerWaalsContact O-N 3.08Å
87S97.5Very high97.2Very high44 Ų4462.7 Ų62.731%0.30830%0.304SS..G310 helixtrans-87.4-12.4-178.8-55.70000114D84 R85 K89 D90 W91D84-S87 PolarHBondContact O-N 2.89Å; R85-S87 VanDerWaalsContact C-N 3.29Å; R85-S87 PolarHBondContact O-N 2.91Å; S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact O-N 3.11Å; S87-D90 PolarHBondContact O-N 2.81Å; S87-D90 VanDerWaalsContact O-N 3.14Å; S87-W91 VanDerWaalsContact CB-CZ2 3.46Å; S87-W91 PolarHBondContact O-N 3.1Å
88L97.8Very high97.2Very high41 Ų4161.5 Ų61.522%0.21530%0.297CS..Hα-helixtrans-60-40.8-172.9-60.4-179.9000113.1V81 R85 D90 W91 E92 T264 Y396V81-L88 HydrophobicContact CG1-CD2 4.45Å; R85-L88 HydrophobicContact CG-CD1 4.47Å; R85-L88 PolarHBondContact O-N 2.81Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.3Å; L88-W91 HydrophobicContact CD2-CE3 3.73Å; L88-W91 HydrophobicContact CD2-CZ3 3.74Å; L88-W91 PolarHBondContact O-N 3.23Å; L88-E92 VanDerWaalsContact O-CB 3.29Å; L88-E92 WeakPolarHBondContact O-CB 3.46Å; L88-E92 PolarHBondContact O-N 3.09Å; L88-T264 HydrophobicContact CB-CG2 4.49Å; L88-T264 HydrophobicContact CD2-CG2 4.02Å; L88-Y396 WeakPolarHBondContact CD2-OH 3.35Å
89K97.1Very high97.2Very high165 Ų16560 Ų6072%0.71729%0.289SS*.Hα-helixtrans-64.6-38.8179-70.1-174.6178.5179.60111.8S87 A93S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact O-N 3.11Å; K89-A93 WeakPolarHBondContact O-CB 3.23Å; K89-A93 PolarHBondContact O-N 3.12Å
90D98.1Very high97.2Very high98 Ų9860.2 Ų60.252%0.52429%0.291SS..Hα-helixtrans-71.1-39.6179.4-67.2-18.6000111.2S87 L88 K94 Q271S87-D90 PolarHBondContact O-N 2.81Å; S87-D90 VanDerWaalsContact O-N 3.14Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.3Å; D90-K94 WeakPolarHBondContact O-CB 3.41Å; D90-K94 PolarHBondContact O-N 3.01Å; D90-Q271 PolarHBondContact O-NE2 3.06Å
91W98.6Very high97.1Very high13 Ų1365.2 Ų65.25%0.04931%0.314CS..Hα-helixtrans-63.6-50.8173.3-64-16.5000111.2D84 S87 L88 A93 K94 G95 T264 G267 F268 Q271 Y396D84-W91 HydrophobicContact CB-CH2 3.43Å; D84-W91 VanDerWaalsContact CB-CH2 3.43Å; D84-W91 HydrophobicContact CB-CZ2 4.37Å; D84-W91 HydrophobicContact CB-CZ3 3.92Å; S87-W91 VanDerWaalsContact CB-CZ2 3.46Å; S87-W91 PolarHBondContact O-N 3.1Å; L88-W91 HydrophobicContact CD2-CE3 3.73Å; L88-W91 HydrophobicContact CD2-CZ3 3.74Å; L88-W91 PolarHBondContact O-N 3.23Å; W91-A93 VanDerWaalsContact C-N 3.33Å; W91-A93 PolarHBondContact O-N 3.17Å; W91-K94 PolarHBondContact O-N 3.22Å; W91-K94 VanDerWaalsContact O-N 3.14Å; W91-G95 PolarHBondContact O-N 2.89Å; W91-T264 HydrophobicContact CB-CG2 3.89Å; W91-T264 HydrophobicContact CE3-CG2 4.16Å; W91-G267 WeakPolarHBondContact O-CA 3.43Å; W91-F268 HydrophobicContact CD2-CB 3.9Å; W91-F268 HydrophobicContact CD2-CD2 4.13Å; W91-F268 AromaticContact CE2-CD2 3.8Å; W91-F268 HydrophobicContact CE3-CB 4.14Å; W91-F268 HydrophobicContact CE3-CD2 4.28Å; W91-F268 HydrophobicContact CG-CB 4.06Å; W91-F268 AromaticContact CH2-CD2 3.83Å; W91-F268 HydrophobicContact CH2-CD2 3.83Å; W91-F268 HydrophobicContact CH2-CE2 4.27Å; W91-F268 AromaticContact CZ2-CD2 3.65Å; W91-F268 HydrophobicContact CZ2-CD2 3.65Å; W91-F268 HydrophobicContact CZ2-CE2 4.21Å; W91-F268 HydrophobicContact CZ3-CD2 4.17Å; W91-Q271 VanDerWaalsContact NE1-OE1 3.14Å; W91-Y396 AromaticContact CE3-CE2 3.84Å; W91-Y396 HydrophobicContact CE3-CE2 3.84Å; W91-Y396 AromaticContact CZ3-CE2 3.6Å; W91-Y396 HydrophobicContact CZ3-CE2 3.6Å
92E98Very high97.1Very high83 Ų8365.8 Ų65.839%0.38832%0.32SS..Hα-helixtrans-56.8-47.3176.7-177.1179.7-175.200111.6L88 K94 G95 L96 P263L88-E92 VanDerWaalsContact O-CB 3.29Å; L88-E92 WeakPolarHBondContact O-CB 3.46Å; L88-E92 PolarHBondContact O-N 3.09Å; E92-K94 VanDerWaalsContact C-N 3.31Å; E92-K94 PolarHBondContact O-N 2.87Å; E92-G95 PolarHBondContact O-N 2.84Å; E92-L96 HydrophobicContact CG-CD1 4.12Å; E92-L96 WeakPolarHBondContact O-CB 3.01Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 2.97Å; E92-P263 HydrophobicContact CG-CB 4.32Å; E92-P263 HydrophobicContact CG-CG 4.08Å
93A96.9Very high97.3Very high33 Ų3366.7 Ų66.727%0.27332%0.319SS..Hα-helixtrans-58-44.8177.200000111.5K89 W91 L96 D97 K154K89-A93 WeakPolarHBondContact O-CB 3.23Å; K89-A93 PolarHBondContact O-N 3.12Å; W91-A93 VanDerWaalsContact C-N 3.33Å; W91-A93 PolarHBondContact O-N 3.17Å; A93-L96 PolarHBondContact O-N 3.23Å; A93-D97 PolarHBondContact O-N 3.27Å; A93-K154 PolarHBondContact O-NZ 3.17Å; A93-K154 VanDerWaalsContact O-NZ 3.17Å
94K98Very high97.4Very high82 Ų8260.9 Ų60.936%0.35730%0.297SS..Hα-helixtrans-64.6-41.9178.1-177.261.2176.5-174.20112.4D90 W91 E92 D97 C98 V270 Q271D90-K94 WeakPolarHBondContact O-CB 3.41Å; D90-K94 PolarHBondContact O-N 3.01Å; W91-K94 PolarHBondContact O-N 3.22Å; W91-K94 VanDerWaalsContact O-N 3.14Å; E92-K94 VanDerWaalsContact C-N 3.31Å; E92-K94 PolarHBondContact O-N 2.87Å; K94-D97 PolarHBondContact O-N 2.81Å; K94-C98 PolarHBondContact O-N 2.99Å; K94-C98 VanDerWaalsContact O-N 3.1Å; K94-C98 PolarHBondContact O-SG 3.47Å; K94-V270 HydrophobicContact CD-CG1 4.48Å; K94-V270 VanDerWaalsContact CE-CG1 3.48Å; K94-V270 HydrophobicContact CG-CB 4.49Å; K94-V270 HydrophobicContact CG-CG1 4.22Å; K94-Q271 HydrophobicContact CB-CG 4.35Å; K94-Q271 HydrophobicContact CG-CG 4.01Å
95G97.9Very high97.5Very high0 Ų058.3 Ų58.30%028%0.283CS..Hα-helixtrans-64.8-45.8177.400000112.3W91 E92 D97 C98 I99 P263W91-G95 PolarHBondContact O-N 2.89Å; E92-G95 PolarHBondContact O-N 2.84Å; G95-D97 VanDerWaalsContact C-N 3.28Å; G95-D97 PolarHBondContact O-N 3.37Å; G95-C98 WeakPolarHBondContact O-CB 3.37Å; G95-C98 PolarHBondContact O-N 3.4Å; G95-I99 WeakPolarHBondContact O-CG1 3.26Å; G95-I99 PolarHBondContact O-N 3.04Å; G95-P263 VanDerWaalsContact CA-O 3.28Å; G95-P263 WeakPolarHBondContact CA-O 3.46Å
96L96.8Very high97.7Very high20 Ų2049.9 Ų49.911%0.10525%0.251CS..Hα-helixtrans-60.1-37.4175-75.3173.9000112.2E92 A93 C98 I99 G100 L147 L150 P263E92-L96 HydrophobicContact CG-CD1 4.12Å; E92-L96 WeakPolarHBondContact O-CB 3.01Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 2.97Å; A93-L96 PolarHBondContact O-N 3.23Å; L96-C98 VanDerWaalsContact C-N 3.33Å; L96-C98 PolarHBondContact O-N 3.3Å; L96-I99 PolarHBondContact O-N 2.89Å; L96-G100 PolarHBondContact O-N 3.47Å; L96-L147 HydrophobicContact CD2-CD2 4.21Å; L96-L150 HydrophobicContact CD2-CB 4.43Å; L96-P263 HydrophobicContact CD2-CB 4.09Å; L96-P263 HydrophobicContact CD2-CG 4.23Å; L96-P263 HydrophobicContact CG-CB 3.81Å; L96-P263 HydrophobicContact CG-CG 4.22Å
97D96.4Very high97.8Very high52 Ų5241 Ų4128%0.27821%0.21SC..Hα-helixtrans-64.4-38.7174.1-65.8-12.9000111.7A93 K94 G95 G100 Q101 K154A93-D97 PolarHBondContact O-N 3.27Å; K94-D97 PolarHBondContact O-N 2.81Å; G95-D97 VanDerWaalsContact C-N 3.28Å; G95-D97 PolarHBondContact O-N 3.37Å; D97-G100 PolarHBondContact O-N 2.92Å; D97-Q101 WeakPolarHBondContact O-CB 3.49Å; D97-Q101 VanDerWaalsContact O-CG 3.23Å; D97-Q101 WeakPolarHBondContact O-CG 3.23Å; D97-Q101 PolarHBondContact O-N 2.85Å; D97-Q101 VanDerWaalsContact O-N 3.13Å; D97-Q101 PolarHBondContact O-NE2 2.87Å; D97-K154 WeakPolarHBondContact OD1-CE 3.39Å; D97-K154 IonicContact OD1-NZ 2.92Å; D97-K154 PolarHBondContact OD1-NZ 2.86Å; D97-K154 IonicContact OD2-NZ 2.65Å
98C97.6Very high97.8Very high5 Ų539 Ų393%0.03420%0.195CC..Hα-helixtrans-66.8-40.5176-620000111.6K94 G95 L96 Q101 K103 V104 F247K94-C98 PolarHBondContact O-N 2.99Å; K94-C98 VanDerWaalsContact O-N 3.1Å; K94-C98 PolarHBondContact O-SG 3.47Å; G95-C98 WeakPolarHBondContact O-CB 3.37Å; G95-C98 PolarHBondContact O-N 3.4Å; L96-C98 VanDerWaalsContact C-N 3.33Å; L96-C98 PolarHBondContact O-N 3.3Å; C98-Q101 PolarHBondContact O-N 3.14Å; C98-K103 WeakPolarHBondContact O-CB 3.38Å; C98-K103 PolarHBondContact O-N 2.96Å; C98-K103 VanDerWaalsContact O-N 3.07Å; C98-V104 HydrophobicContact CB-CG2 3.87Å; C98-F247 HydrophobicContact CB-CD2 4.25Å; C98-F247 HydrophobicContact CB-CE2 4.32Å
99I97.7Very high97.9Very high0 Ų037.5 Ų37.50%019%0.188CC..Hα-helixtrans-63-48.8174.3-68.1167.9000110G95 L96 Q101 S102 V104 L147 A151 C159 V161 P263G95-I99 WeakPolarHBondContact O-CG1 3.26Å; G95-I99 PolarHBondContact O-N 3.04Å; L96-I99 PolarHBondContact O-N 2.89Å; I99-Q101 PolarHBondContact O-N 3.35Å; I99-Q101 VanDerWaalsContact O-N 3.13Å; I99-S102 WeakPolarHBondContact O-CA 3.5Å; I99-S102 PolarHBondContact O-N 2.84Å; I99-V104 HydrophobicContact CG1-CB 4.02Å; I99-V104 HydrophobicContact CG1-CG1 4.3Å; I99-V104 HydrophobicContact CG1-CG2 3.84Å; I99-L147 HydrophobicContact CD1-CD1 4.33Å; I99-L147 HydrophobicContact CD1-CD2 4.41Å; I99-A151 HydrophobicContact CB-CB 4.38Å; I99-A151 HydrophobicContact CG2-CB 3.78Å; I99-C159 VanDerWaalsContact O-CB 3.28Å; I99-C159 WeakPolarHBondContact O-CB 3.32Å; I99-V161 HydrophobicContact CG2-CG2 3.77Å; I99-P263 HydrophobicContact CD1-CB 4.27Å
100G96.6Very high97.9Very high7 Ų729.8 Ų29.87%0.07216%0.155CC..Hα-helixtrans-61.1-22.4179.400000114.2L96 D97 S102L96-G100 PolarHBondContact O-N 3.47Å; D97-G100 PolarHBondContact O-N 2.92Å; G100-S102 VanDerWaalsContact C-N 3.35Å
101Q96.5Very high97.6Very high105 Ų10525.4 Ų25.449%0.49113%0.133SC..THydrogen-bonded Turntrans-90.97.2173.5-68.6168.536.200113.4D97 C98 I99 K103D97-Q101 WeakPolarHBondContact O-CB 3.49Å; D97-Q101 VanDerWaalsContact O-CG 3.23Å; D97-Q101 WeakPolarHBondContact O-CG 3.23Å; D97-Q101 PolarHBondContact O-N 2.85Å; D97-Q101 VanDerWaalsContact O-N 3.13Å; D97-Q101 PolarHBondContact O-NE2 2.87Å; C98-Q101 PolarHBondContact O-N 3.14Å; I99-Q101 PolarHBondContact O-N 3.35Å; I99-Q101 VanDerWaalsContact O-N 3.13Å; Q101-K103 HydrophobicContact CB-CD 4.04Å; Q101-K103 HydrophobicContact CB-CG 4.03Å; Q101-K103 PolarHBondContact O-N 2.88Å; Q101-K103 VanDerWaalsContact OE1-CE 3.27Å
102S97.6Very high96.9Very high40 Ų4026.9 Ų26.928%0.2815%0.152SC..THydrogen-bonded Turntrans54.833.4-176.2-550000113.4I99 G100 C160I99-S102 WeakPolarHBondContact O-CA 3.5Å; I99-S102 PolarHBondContact O-N 2.84Å; G100-S102 VanDerWaalsContact C-N 3.35Å; S102-C160 PolarHBondContact OG-N 3.39Å; S102-C160 VanDerWaalsContact OG-N 3.12Å
103K98.4Very high96Very high74 Ų7425.8 Ų25.832%0.32215%0.147SC..  trans-93-5.9179.8-70.7177.8176.9170.80113.4C98 Q101 K246 F247C98-K103 WeakPolarHBondContact O-CB 3.38Å; C98-K103 PolarHBondContact O-N 2.96Å; C98-K103 VanDerWaalsContact O-N 3.07Å; Q101-K103 HydrophobicContact CB-CD 4.04Å; Q101-K103 HydrophobicContact CB-CG 4.03Å; Q101-K103 PolarHBondContact O-N 2.88Å; Q101-K103 VanDerWaalsContact OE1-CE 3.27Å; K103-K246 HydrophobicContact CB-CB 4.21Å; K103-K246 HydrophobicContact CB-CG 4.19Å; K103-K246 HydrophobicContact CD-CG 4.2Å; K103-K246 HydrophobicContact CG-CG 4.08Å; K103-K246 PolarHBondContact O-N 3.38Å; K103-F247 HydrophobicContact CB-CD2 4.44Å; K103-F247 PolarHBondContact O-N 2.65Å
104V98.8Very high95.1Very high0 Ų024.3 Ų24.30%014%0.135CC..EExtended strand (participates in β ladder)trans-109133.1-175.1176.90000109.6C98 I99 P162 F247 A261 I266C98-V104 HydrophobicContact CB-CG2 3.87Å; I99-V104 HydrophobicContact CG1-CB 4.02Å; I99-V104 HydrophobicContact CG1-CG1 4.3Å; I99-V104 HydrophobicContact CG1-CG2 3.84Å; V104-P162 WeakPolarHBondContact O-CD 3.3Å; V104-F247 WeakPolarHBondContact CA-O 3.46Å; V104-F247 HydrophobicContact CG2-CB 4.44Å; V104-F247 HydrophobicContact CG2-CD2 4.46Å; V104-A261 HydrophobicContact CG1-CB 4.4Å; V104-I266 HydrophobicContact CG1-CD1 3.61Å; V104-I266 HydrophobicContact CG2-CD1 4.23Å; V104-I266 HydrophobicContact CG2-CG2 4.17Å
105A98.9Very high94.2Very high0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-121160.1164.100000110.3P162 Y164 V245 F247 I248 H249A105-P162 WeakPolarHBondContact CA-O 3.47Å; A105-P162 HydrophobicContact CB-CB 4.24Å; A105-P162 HydrophobicContact CB-CG 4.48Å; A105-Y164 HydrophobicContact CB-CD2 3.98Å; A105-Y164 HydrophobicContact CB-CE2 3.64Å; A105-V245 HydrophobicContact CB-CG1 3.72Å; A105-V245 HydrophobicContact CB-CG2 3.97Å; A105-F247 PolarHBondContact N-O 3.14Å; A105-I248 WeakPolarHBondContact O-CA 3.37Å; A105-H249 PolarHBondContact O-N 2.87Å
106V98.9Very high93.5Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-115.9142171-660000110.1I144 V161 P162 W163 Y164 H249 Y251 V260 A261V106-I144 HydrophobicContact CG2-CD1 3.78Å; V106-I144 HydrophobicContact CG2-CG1 4.33Å; V106-V161 HydrophobicContact CG1-CG1 4.06Å; V106-V161 HydrophobicContact CG2-CG1 4.19Å; V106-P162 PolarHBondContact N-O 3.01Å; V106-W163 HydrophobicContact CG2-CB 4.11Å; V106-W163 HydrophobicContact CG2-CG 3.93Å; V106-Y164 PolarHBondContact O-N 2.84Å; V106-H249 CarbonylContact C-O 3.56Å; V106-H249 WeakPolarHBondContact CA-O 3.29Å; V106-H249 HydrophobicContact CG1-CB 4.21Å; V106-Y251 HydrophobicContact CB-CE1 4.09Å; V106-V260 HydrophobicContact CB-CG1 4.23Å; V106-V260 HydrophobicContact CG1-CG1 3.83Å; V106-V260 HydrophobicContact CG2-CG1 4.16Å; V106-A261 HydrophobicContact CG1-CB 3.56Å
107L98.9Very high92.9Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-125.1114.9178.6-168.1152.5000109.9L109 Y164 F195 L227 L231 M240 I248 H249 V250 Y251L107-L109 HydrophobicContact CD2-CD2 3.82Å; L107-Y164 CarbonylContact C-O 3.5Å; L107-Y164 VanDerWaalsContact CA-O 3.29Å; L107-Y164 WeakPolarHBondContact CA-O 3.34Å; L107-F195 HydrophobicContact CD1-CE1 4.39Å; L107-F195 HydrophobicContact CD1-CZ 4.05Å; L107-F195 HydrophobicContact CD2-CZ 4.39Å; L107-F195 HydrophobicContact CG-CE1 4.44Å; L107-F195 HydrophobicContact CG-CZ 4.32Å; L107-L227 HydrophobicContact CD1-CD1 3.73Å; L107-L227 HydrophobicContact CD2-CD1 3.61Å; L107-L227 HydrophobicContact CD2-CD2 4.2Å; L107-L227 HydrophobicContact CG-CD1 4.32Å; L107-L231 HydrophobicContact CD1-CD2 3.95Å; L107-M240 HydrophobicContact CD1-CE 4.1Å; L107-I248 HydrophobicContact CB-CG2 3.87Å; L107-H249 PolarHBondContact N-O 3.18Å; L107-V250 HydrophobicContact CB-CG2 4.13Å; L107-V250 HydrophobicContact CD2-CG1 4.06Å; L107-V250 CarbonylContact O-C 3.06Å; L107-V250 VanDerWaalsContact O-CA 3.3Å; L107-V250 WeakPolarHBondContact O-CA 3.32Å; L107-Y251 PolarHBondContact O-N 3.45Å
108L98.9Very high92.4Very high0 Ų033 Ų330%020%0.195CC..EExtended strand (participates in β ladder)trans-95.2125.9-178175.357.8000111.5A110 F137 W163 Y164 I165 M166 Y251 V253L108-A110 HydrophobicContact CD2-CB 4.16Å; L108-A110 HydrophobicContact CG-CB 4Å; L108-A110 PolarHBondContact O-N 2.85Å; L108-F137 HydrophobicContact CD2-CD1 4.02Å; L108-F137 HydrophobicContact CD2-CE1 3.62Å; L108-W163 HydrophobicContact CD2-CZ2 3.79Å; L108-Y164 PolarHBondContact N-O 2.88Å; L108-I165 HydrophobicContact CB-CG1 4.39Å; L108-I165 HydrophobicContact CD2-CG1 4.44Å; L108-I165 HydrophobicContact CD2-CG2 4.29Å; L108-M166 WeakPolarHBondContact O-CB 3.44Å; L108-M166 PolarHBondContact O-N 2.85Å; L108-Y251 HydrophobicContact CB-CE1 4.04Å; L108-Y251 HydrophobicContact CD1-CD2 3.92Å; L108-Y251 HydrophobicContact CD1-CE1 4.3Å; L108-Y251 HydrophobicContact CD1-CE2 3.4Å; L108-Y251 VanDerWaalsContact CD1-CE2 3.4Å; L108-Y251 HydrophobicContact CG-CE2 4.44Å; L108-V253 VanDerWaalsContact CD1-CA 3.45Å; L108-V253 HydrophobicContact CD1-CB 3.59Å; L108-V253 HydrophobicContact CD1-CG2 4.07Å; L108-V253 HydrophobicContact CD2-CG2 4.19Å; L108-V253 HydrophobicContact CG-CB 4.36Å
109L98.6Very high92Very high10 Ų1035.2 Ų35.25%0.05220%0.204CC..EExtended strand (participates in β ladder)trans-85.792.4171.2-52.9172.4000109.6L107 M166 N224 L227 V250 Y251 V253 V383L107-L109 HydrophobicContact CD2-CD2 3.82Å; L109-M166 HydrophobicContact CD2-CE 3.49Å; L109-M166 VanDerWaalsContact CD2-CE 3.49Å; L109-M166 HydrophobicContact CD2-SD 4.37Å; L109-N224 HydrophobicContact CD1-CB 4.19Å; L109-L227 HydrophobicContact CD2-CD2 4.33Å; L109-V250 HydrophobicContact CD1-CG1 3.91Å; L109-V250 HydrophobicContact CD2-CG1 4.02Å; L109-V250 HydrophobicContact CG-CG1 3.92Å; L109-Y251 PolarHBondContact N-O 3.34Å; L109-V253 PolarHBondContact O-N 3.11Å; L109-V383 HydrophobicContact CD1-CB 4.46Å; L109-V383 HydrophobicContact CD1-CG1 4.09Å; L109-V383 HydrophobicContact CD1-CG2 4.29Å
110A97.5Very high91.5Very high3 Ų339.4 Ų39.43%0.02523%0.233CC..  trans-118.328.5-176.900000113.5L108 G112 F137 I165 M166 T171 V253L108-A110 HydrophobicContact CD2-CB 4.16Å; L108-A110 HydrophobicContact CG-CB 4Å; L108-A110 PolarHBondContact O-N 2.85Å; A110-G112 VanDerWaalsContact C-N 3.34Å; A110-F137 HydrophobicContact CB-CE1 4.41Å; A110-F137 HydrophobicContact CB-CZ 4.42Å; A110-I165 HydrophobicContact CB-CG2 4.08Å; A110-M166 CarbonylContact C-O 3.11Å; A110-M166 VanDerWaalsContact CA-O 3.23Å; A110-M166 WeakPolarHBondContact CA-O 3.36Å; A110-M166 PolarHBondContact N-O 3.4Å; A110-T171 PolarHBondContact O-OG1 2.72Å; A110-V253 HydrophobicContact CB-CB 4.4Å; A110-V253 HydrophobicContact CB-CG2 4.45Å
111G92.4Very high91.4Very high7 Ų743.2 Ų43.27%0.07225%0.249CC..  trans-70.7-26.1178.200000115.2M166 S168 Q197G111-M166 PolarHBondContact N-O 2.68Å; G111-S168 WeakPolarHBondContact O-CB 3.36Å; G111-S168 PolarHBondContact O-OG 2.9Å; G111-Q197 VanDerWaalsContact CA-NE2 3.25Å
112G83.2Confident91.3Very high44 Ų4438.3 Ų38.345%0.45423%0.226SC..  trans-80138.7-174.600000113.7A110A110-G112 VanDerWaalsContact C-N 3.34Å
113Q79.8Confident91.2Very high60 Ų6037.7 Ų37.728%0.2822%0.218SC..BIsolated β-bridgetrans-81.7156.5168.4-66.6-174.5-59.200111.4T115 R170 T171Q113-T115 HydrophobicContact CB-CG2 3.95Å; Q113-T115 PolarHBondContact O-N 2.86Å; Q113-T115 VanDerWaalsContact O-N 3.16Å; Q113-R170 HydrophobicContact CG-CB 4.25Å; Q113-T171 HydrophobicContact CG-CG2 3.78Å
114G77.8Confident91.2Very high1 Ų134.2 Ų34.21%0.0120%0.204CC..SBendtrans-77.420.2175.900000115.1R116 L117 F119 H121G114-R116 VanDerWaalsContact C-N 3.32Å; G114-R116 PolarHBondContact O-N 2.98Å; G114-L117 WeakPolarHBondContact O-CA 3.21Å; G114-L117 WeakPolarHBondContact O-CB 3.5Å; G114-L117 PolarHBondContact O-N 3.43Å; G114-F119 CarbonylContact C-O 3.41Å; G114-F119 PolarHBondContact O-N 2.96Å; G114-H121 PolarHBondContact N-O 2.9Å; G114-H121 VanDerWaalsContact N-O 3.11Å
115T79.8Confident91.1Very high92 Ų9235.1 Ų35.156%0.56421%0.208SC*.G310 helixtrans-61.2-34.9-167.850.90000114Q113 L117 G118 F119Q113-T115 HydrophobicContact CB-CG2 3.95Å; Q113-T115 PolarHBondContact O-N 2.86Å; Q113-T115 VanDerWaalsContact O-N 3.16Å; T115-L117 PolarHBondContact O-N 3.21Å; T115-G118 PolarHBondContact O-N 2.73Å; T115-F119 PolarHBondContact N-O 2.75Å
116R82.1Confident91.1Very high158 Ų15837.1 Ų37.160%0.59622%0.216SC*.G310 helixtrans-61.4-23.7172.9-73.8-179.465.4156.81113.5G114 G118 N409 Q413G114-R116 VanDerWaalsContact C-N 3.32Å; G114-R116 PolarHBondContact O-N 2.98Å; R116-G118 VanDerWaalsContact C-N 3.31Å; R116-N409 PolarHBondContact NH2-OD1 2.81Å; R116-Q413 PolarHBondContact O-NE2 2.99Å
117L84.6Confident91Very high12 Ų1239.9 Ų39.96%0.06323%0.231CC..G310 helixtrans-87.2-0.8176.8-47.6175.5000112.3G114 T115 F119 K123 Y126 L407 N409G114-L117 WeakPolarHBondContact O-CA 3.21Å; G114-L117 WeakPolarHBondContact O-CB 3.5Å; G114-L117 PolarHBondContact O-N 3.43Å; T115-L117 PolarHBondContact O-N 3.21Å; L117-F119 HydrophobicContact CB-CB 4.27Å; L117-F119 PolarHBondContact O-N 3.36Å; L117-K123 HydrophobicContact CD1-CD 4.33Å; L117-K123 HydrophobicContact CD1-CG 3.91Å; L117-Y126 HydrophobicContact CB-CD2 4.44Å; L117-Y126 HydrophobicContact CB-CE2 3.79Å; L117-Y126 HydrophobicContact CD1-CD2 3.6Å; L117-Y126 HydrophobicContact CD1-CE2 3.69Å; L117-Y126 HydrophobicContact CD1-CG 4.21Å; L117-Y126 HydrophobicContact CG-CE2 4.37Å; L117-L407 HydrophobicContact CD1-CD1 4.23Å; L117-L407 HydrophobicContact CD1-CD2 3.75Å; L117-L407 HydrophobicContact CD1-CG 3.78Å; L117-L407 HydrophobicContact CD2-CD1 3.89Å; L117-L407 HydrophobicContact CD2-CG 4.07Å; L117-N409 VanDerWaalsContact CD2-O 3.25Å; L117-N409 WeakPolarHBondContact CD2-O 3.36Å
118G85.5Confident90.9Very high76 Ų7640.1 Ų40.178%0.78423%0.232SC*.THydrogen-bonded Turntrans71.119.3-168.100000113.4T115 R116T115-G118 PolarHBondContact O-N 2.73Å; R116-G118 VanDerWaalsContact C-N 3.31Å
119F89.1Confident90.8Very high51 Ų5141.9 Ų41.922%0.22425%0.251CS..  trans-110.4123-176.1-172.1-124.4000111.2G114 T115 L117 H121 M125 Y126G114-F119 CarbonylContact C-O 3.41Å; G114-F119 PolarHBondContact O-N 2.96Å; T115-F119 PolarHBondContact N-O 2.75Å; L117-F119 HydrophobicContact CB-CB 4.27Å; L117-F119 PolarHBondContact O-N 3.36Å; F119-H121 VanDerWaalsContact C-N 3.29Å; F119-H121 HydrophobicContact CD1-CB 4.04Å; F119-H121 WeakPolarHBondContact CD1-O 3.43Å; F119-H121 HydrophobicContact CE1-CB 3.52Å; F119-H121 HydrophobicContact CE2-CB 4.23Å; F119-H121 AromaticContact CE2-CD2 3.67Å; F119-H121 HydrophobicContact CZ-CB 3.62Å; F119-H121 AromaticContact CZ-CD2 3.88Å; F119-H121 PolarHBondContact O-N 3Å; F119-M125 HydrophobicContact CE1-CB 4.16Å; F119-M125 HydrophobicContact CZ-CB 4.25Å; F119-Y126 HydrophobicContact CB-CD2 3.92Å; F119-Y126 HydrophobicContact CB-CE2 3.8Å; F119-Y126 AromaticContact CD1-CD2 3.56Å; F119-Y126 HydrophobicContact CD1-CD2 3.56Å; F119-Y126 HydrophobicContact CD1-CE2 4.3Å; F119-Y126 HydrophobicContact CD1-CG 4.49Å; F119-Y126 HydrophobicContact CD2-CD2 4.33Å; F119-Y126 HydrophobicContact CD2-CE2 4.45Å; F119-Y126 AromaticContact CE1-CD2 3.99Å; F119-Y126 HydrophobicContact CE1-CD2 3.99Å; F119-Y126 AromaticContact CG-CD2 3.71Å; F119-Y126 HydrophobicContact CG-CD2 3.71Å; F119-Y126 AromaticContact CG-CE2 3.98Å; F119-Y126 HydrophobicContact CG-CE2 3.98Å
120S88.3Confident90.6Very high87 Ų8741.5 Ų41.561%0.60825%0.249SC*.SBendtrans-75.6-14.1-175.946.30000114.3
121H93.1Very high90.5Very high88 Ų8843 Ų4341%0.40726%0.258SS..SBendtrans-98.6167.3-175.4-56.3-85.4000111.9G114 F119 K123 M125G114-H121 PolarHBondContact N-O 2.9Å; G114-H121 VanDerWaalsContact N-O 3.11Å; F119-H121 VanDerWaalsContact C-N 3.29Å; F119-H121 HydrophobicContact CD1-CB 4.04Å; F119-H121 WeakPolarHBondContact CD1-O 3.43Å; F119-H121 HydrophobicContact CE1-CB 3.52Å; F119-H121 HydrophobicContact CE2-CB 4.23Å; F119-H121 AromaticContact CE2-CD2 3.67Å; F119-H121 HydrophobicContact CZ-CB 3.62Å; F119-H121 AromaticContact CZ-CD2 3.88Å; F119-H121 PolarHBondContact O-N 3Å; H121-K123 PolarHBondContact O-N 3.39Å; H121-M125 HydrophobicContact CB-SD 3.95Å
122P94.9Very high90.7Very high2 Ų244.2 Ų44.21%0.01327%0.265CS..BIsolated β-bridgetrans-54.5139.1171.5-25.234.6000111.4G124 M125 T171 S174P122-G124 PolarHBondContact O-N 3.37Å; P122-G124 VanDerWaalsContact O-N 3.1Å; P122-M125 HydrophobicContact CB-CE 4.15Å; P122-M125 HydrophobicContact CG-CE 3.65Å; P122-M125 HydrophobicContact CG-SD 4.41Å; P122-M125 WeakPolarHBondContact O-CB 3.16Å; P122-M125 PolarHBondContact O-N 3.42Å; P122-T171 HydrophobicContact CB-CG2 4.02Å; P122-T171 HydrophobicContact CG-CG2 3.82Å; P122-S174 VanDerWaalsContact CD-OG 3.25Å; P122-S174 WeakPolarHBondContact CD-OG 3.25Å; P122-S174 WeakPolarHBondContact CG-OG 3.42Å
123K95.4Very high91.3Very high26 Ų2648 Ų4811%0.11327%0.271CS..G310 helixtrans-60.4-28.1-172.8-164.2-171.3-73.9-1740113.6L117 H121 M125 Y126 V253 D254 L407L117-K123 HydrophobicContact CD1-CD 4.33Å; L117-K123 HydrophobicContact CD1-CG 3.91Å; H121-K123 PolarHBondContact O-N 3.39Å; K123-M125 PolarHBondContact O-N 3.44Å; K123-M125 VanDerWaalsContact O-N 3.17Å; K123-Y126 WeakPolarHBondContact O-CB 3.29Å; K123-Y126 PolarHBondContact O-N 2.71Å; K123-V253 HydrophobicContact CB-CG1 4.35Å; K123-D254 HydrophobicContact CD-CB 3.36Å; K123-D254 IonicContact NZ-OD2 2.78Å; K123-D254 PolarHBondContact NZ-OD2 3.16Å; K123-L407 WeakPolarHBondContact CE-O 3.35Å; K123-L407 HydrophobicContact CG-CD2 4.37Å; K123-L407 PolarHBondContact NZ-O 3.1Å
124G97.7Very high92.2Very high1 Ų146 Ų461%0.0126%0.261CS..G310 helixtrans-61.6-21.2176.400000114.4P122 Y126 L136 F137P122-G124 PolarHBondContact O-N 3.37Å; P122-G124 VanDerWaalsContact O-N 3.1Å; G124-Y126 VanDerWaalsContact C-N 3.27Å; G124-L136 PolarHBondContact O-N 2.97Å; G124-F137 VanDerWaalsContact C-CE2 3.47Å; G124-F137 VanDerWaalsContact CA-CE2 3.47Å; G124-F137 WeakPolarHBondContact O-CD2 3.2Å; G124-F137 WeakPolarHBondContact O-CG 3.37Å; G124-F137 PolarHBondContact O-N 3.43Å
125M98Very high93.2Very high20 Ų2046.7 Ų46.710%0.09927%0.265CS..G310 helixtrans-84-0.7175.7-55.3178.7-167.700113.1F119 H121 P122 K123 D127 T135 F137 S174 F178F119-M125 HydrophobicContact CE1-CB 4.16Å; F119-M125 HydrophobicContact CZ-CB 4.25Å; H121-M125 HydrophobicContact CB-SD 3.95Å; P122-M125 HydrophobicContact CB-CE 4.15Å; P122-M125 HydrophobicContact CG-CE 3.65Å; P122-M125 HydrophobicContact CG-SD 4.41Å; P122-M125 WeakPolarHBondContact O-CB 3.16Å; P122-M125 PolarHBondContact O-N 3.42Å; K123-M125 PolarHBondContact O-N 3.44Å; K123-M125 VanDerWaalsContact O-N 3.17Å; M125-D127 PolarHBondContact O-N 3.16Å; M125-T135 VanDerWaalsContact O-CG2 3.27Å; M125-T135 WeakPolarHBondContact O-CG2 3.48Å; M125-F137 HydrophobicContact CG-CD2 4.04Å; M125-F137 HydrophobicContact CG-CE2 3.9Å; M125-S174 WeakPolarHBondContact CE-O 3.27Å; M125-F178 HydrophobicContact CB-CE1 4.41Å; M125-F178 HydrophobicContact CB-CE2 4.46Å; M125-F178 HydrophobicContact CB-CZ 4.35Å; M125-F178 HydrophobicContact CE-CB 3.59Å; M125-F178 HydrophobicContact CE-CD1 4.48Å; M125-F178 HydrophobicContact CE-CG 4.03Å; M125-F178 HydrophobicContact CG-CB 4.44Å; M125-F178 HydrophobicContact CG-CD1 3.81Å; M125-F178 HydrophobicContact CG-CD2 4.14Å; M125-F178 HydrophobicContact CG-CE1 4.01Å; M125-F178 HydrophobicContact CG-CE2 4.34Å; M125-F178 HydrophobicContact CG-CG 3.87Å; M125-F178 HydrophobicContact CG-CZ 4.31Å; M125-F178 HydrophobicContact SD-CB 4.09Å; M125-F178 HydrophobicContact SD-CD2 4.08Å; M125-F178 HydrophobicContact SD-CG 3.99Å
126Y97.8Very high94.1Very high42 Ų4242.5 Ų42.517%0.16524%0.239CC..  trans-72128.1-175.9-156.9-79.8000110.2L117 F119 K123 G124 V128 T135 L136 L407 P419L117-Y126 HydrophobicContact CB-CD2 4.44Å; L117-Y126 HydrophobicContact CB-CE2 3.79Å; L117-Y126 HydrophobicContact CD1-CD2 3.6Å; L117-Y126 HydrophobicContact CD1-CE2 3.69Å; L117-Y126 HydrophobicContact CD1-CG 4.21Å; L117-Y126 HydrophobicContact CG-CE2 4.37Å; F119-Y126 HydrophobicContact CB-CD2 3.92Å; F119-Y126 HydrophobicContact CB-CE2 3.8Å; F119-Y126 AromaticContact CD1-CD2 3.56Å; F119-Y126 HydrophobicContact CD1-CD2 3.56Å; F119-Y126 HydrophobicContact CD1-CE2 4.3Å; F119-Y126 HydrophobicContact CD1-CG 4.49Å; F119-Y126 HydrophobicContact CD2-CD2 4.33Å; F119-Y126 HydrophobicContact CD2-CE2 4.45Å; F119-Y126 AromaticContact CE1-CD2 3.99Å; F119-Y126 HydrophobicContact CE1-CD2 3.99Å; F119-Y126 AromaticContact CG-CD2 3.71Å; F119-Y126 HydrophobicContact CG-CD2 3.71Å; F119-Y126 AromaticContact CG-CE2 3.98Å; F119-Y126 HydrophobicContact CG-CE2 3.98Å; K123-Y126 WeakPolarHBondContact O-CB 3.29Å; K123-Y126 PolarHBondContact O-N 2.71Å; G124-Y126 VanDerWaalsContact C-N 3.27Å; Y126-V128 HydrophobicContact CD1-CG1 3.92Å; Y126-V128 HydrophobicContact CE1-CG1 4.36Å; Y126-T135 WeakPolarHBondContact O-CA 3.14Å; Y126-L136 PolarHBondContact O-N 3.08Å; Y126-L407 HydrophobicContact CD1-CD2 3.72Å; Y126-L407 HydrophobicContact CE1-CD2 4.3Å; Y126-L407 HydrophobicContact CG-CD2 3.87Å; Y126-P419 HydrophobicContact CE1-CB 3.99Å; Y126-P419 HydrophobicContact CE1-CG 3.61Å; Y126-P419 WeakPolarHBondContact OH-CG 3.37Å
127D97.6Very high94.9Very high58 Ų5835 Ų3531%0.3121%0.211SC..  trans-93.1119.1165.7172.514.8000108.5M125 G129 H133M125-D127 PolarHBondContact O-N 3.16Å; D127-G129 VanDerWaalsContact C-N 3.26Å; D127-G129 PolarHBondContact O-N 3.34Å; D127-G129 WeakPolarHBondContact OD1-CA 3.29Å; D127-G129 PolarHBondContact OD1-N 3.23Å; D127-H133 IonicContact OD2-CE1 2.66Å; D127-H133 IonicContact OD2-CG 3.86Å; D127-H133 IonicContact OD2-ND1 3.77Å; D127-H133 PolarHBondContact OD2-ND1 2.86Å
128V96.8Very high95.6Very high5 Ų536.7 Ų36.73%0.0322%0.218CC..  trans-852.1-179.1-60.60000113.3Y126 L130 I256 L407 P419 A422 R423Y126-V128 HydrophobicContact CD1-CG1 3.92Å; Y126-V128 HydrophobicContact CE1-CG1 4.36Å; V128-L130 HydrophobicContact CG2-CD1 4.43Å; V128-L130 HydrophobicContact CG2-CD2 4.35Å; V128-L130 HydrophobicContact CG2-CG 3.84Å; V128-I256 HydrophobicContact CG2-CD1 3.55Å; V128-L407 HydrophobicContact CG1-CD2 4Å; V128-P419 HydrophobicContact CB-CB 4.28Å; V128-P419 HydrophobicContact CG1-CB 4.46Å; V128-A422 HydrophobicContact CG1-CB 4.21Å; V128-R423 HydrophobicContact CB-CB 4.43Å; V128-R423 HydrophobicContact CG2-CB 3.9Å; V128-R423 WeakPolarHBondContact O-CD 3.34Å
129G96.1Very high96.2Very high37 Ų3733.3 Ų33.338%0.38118%0.183SC..  trans8341.8-176.600000112.7D127D127-G129 VanDerWaalsContact C-N 3.26Å; D127-G129 PolarHBondContact O-N 3.34Å; D127-G129 WeakPolarHBondContact OD1-CA 3.29Å; D127-G129 PolarHBondContact OD1-N 3.23Å
130L95.9Very high96.7Very high2 Ų231 Ų311%0.0117%0.173CC..  trans-70.6155167.4-69.3175.8000110.2V128 S132 H133 I139 I256 R423 L426 M427V128-L130 HydrophobicContact CG2-CD1 4.43Å; V128-L130 HydrophobicContact CG2-CD2 4.35Å; V128-L130 HydrophobicContact CG2-CG 3.84Å; L130-S132 PolarHBondContact O-N 3.23Å; L130-S132 VanDerWaalsContact O-N 3.12Å; L130-H133 PolarHBondContact O-N 3.24Å; L130-I139 HydrophobicContact CD1-CD1 3.62Å; L130-I256 HydrophobicContact CD1-CD1 4.26Å; L130-R423 HydrophobicContact CD2-CB 3.97Å; L130-L426 HydrophobicContact CD1-CD2 3.57Å; L130-L426 HydrophobicContact CD2-CB 4.46Å; L130-L426 HydrophobicContact CD2-CD2 3.82Å; L130-L426 HydrophobicContact CG-CD2 4.35Å; L130-M427 HydrophobicContact CD2-CG 4.4Å
131P94.4Very high97.2Very high34 Ų3426.9 Ų26.922%0.22114%0.144CC..THydrogen-bonded Turntrans-48.7-35.6172.1-29.635.9000114.4M427 E480 M506P131-M427 HydrophobicContact CG-SD 4.29Å; P131-E480 HydrophobicContact CB-CB 4.46Å; P131-E480 WeakPolarHBondContact CB-OE2 3.35Å; P131-E480 WeakPolarHBondContact CD-OE2 3.5Å; P131-E480 HydrophobicContact CG-CB 4.21Å; P131-M506 HydrophobicContact CB-CE 3.49Å; P131-M506 VanDerWaalsContact CB-CE 3.49Å; P131-M506 WeakPolarHBondContact O-CE 3.47Å
132S96.1Very high97.5Very high32 Ų3223.1 Ų23.122%0.22413%0.126CC..THydrogen-bonded Turntrans-82.3-12.2178.8700000114.9L130 K134 E480L130-S132 PolarHBondContact O-N 3.23Å; L130-S132 VanDerWaalsContact O-N 3.12Å; S132-K134 PolarHBondContact O-N 2.63Å; S132-K134 VanDerWaalsContact O-N 3.11Å; S132-K134 WeakPolarHBondContact OG-CB 3.1Å; S132-K134 WeakPolarHBondContact OG-CG 3.4Å; S132-K134 PolarHBondContact OG-N 3.17Å; S132-E480 WeakPolarHBondContact CB-OE1 3.2Å; S132-E480 VanDerWaalsContact CB-OE2 3.3Å; S132-E480 WeakPolarHBondContact CB-OE2 3.25Å; S132-E480 PolarHBondContact N-OE2 3.39Å; S132-E480 PolarHBondContact OG-OE1 3.49Å; S132-E480 PolarHBondContact OG-OE2 3.06Å
133H97.4Very high97.7Very high123 Ų12323.6 Ų23.657%0.56913%0.128SC*.  trans55.419.2-169.7-67.5-78.8000115D127 L130 T135D127-H133 IonicContact OD2-CE1 2.66Å; D127-H133 IonicContact OD2-CG 3.86Å; D127-H133 IonicContact OD2-ND1 3.77Å; D127-H133 PolarHBondContact OD2-ND1 2.86Å; L130-H133 PolarHBondContact O-N 3.24Å; H133-T135 PolarHBondContact O-N 2.96Å
134K98.6Very high97.9Very high20 Ų2022.3 Ų22.39%0.08712%0.122CC..  trans-64135176.5-71.3178.3-179.5-173.40110.9S132 Q138 I139 E142 S482S132-K134 PolarHBondContact O-N 2.63Å; S132-K134 VanDerWaalsContact O-N 3.11Å; S132-K134 WeakPolarHBondContact OG-CB 3.1Å; S132-K134 WeakPolarHBondContact OG-CG 3.4Å; S132-K134 PolarHBondContact OG-N 3.17Å; K134-Q138 HydrophobicContact CB-CB 4.4Å; K134-Q138 HydrophobicContact CB-CG 4.4Å; K134-Q138 HydrophobicContact CD-CG 4.27Å; K134-Q138 HydrophobicContact CG-CG 4.16Å; K134-I139 HydrophobicContact CB-CD1 4.48Å; K134-I139 HydrophobicContact CB-CG1 3.97Å; K134-E142 VanDerWaalsContact CE-OE1 3.28Å; K134-E142 WeakPolarHBondContact CE-OE1 3.1Å; K134-E142 IonicContact NZ-OE1 3.89Å; K134-E142 PolarHBondContact NZ-OE1 2.88Å; K134-E142 IonicContact NZ-OE2 3.53Å; K134-E142 PolarHBondContact NZ-OE2 3.48Å; K134-S482 PolarHBondContact NZ-OG 2.9Å; K134-S482 VanDerWaalsContact NZ-OG 3.17Å
135T98.7Very high97.9Very high15 Ų1523.6 Ų23.69%0.09213%0.128CC..  trans-75.7163.8173.265.70000111.7M125 Y126 H133 F137 Q138 I139 F178M125-T135 VanDerWaalsContact O-CG2 3.27Å; M125-T135 WeakPolarHBondContact O-CG2 3.48Å; Y126-T135 WeakPolarHBondContact O-CA 3.14Å; H133-T135 PolarHBondContact O-N 2.96Å; T135-F137 VanDerWaalsContact C-N 3.26Å; T135-F137 PolarHBondContact O-N 3Å; T135-Q138 PolarHBondContact O-N 3.42Å; T135-Q138 VanDerWaalsContact O-N 3.11Å; T135-Q138 PolarHBondContact OG1-N 3.12Å; T135-I139 WeakPolarHBondContact O-CG1 3.31Å; T135-I139 PolarHBondContact O-N 3.04Å; T135-I139 VanDerWaalsContact O-N 3.08Å; T135-F178 HydrophobicContact CG2-CE1 4.5Å; T135-F178 HydrophobicContact CG2-CZ 3.81Å
136L98.8Very high97.9Very high3 Ų323.6 Ų23.62%0.01613%0.128CC..Hα-helixtrans-56.2-39.5175.1-60.4-179.6000112.5G124 Y126 Q140 I256 L407G124-L136 PolarHBondContact O-N 2.97Å; Y126-L136 PolarHBondContact O-N 3.08Å; L136-Q140 WeakPolarHBondContact O-CB 3.33Å; L136-Q140 WeakPolarHBondContact O-CG 3.38Å; L136-Q140 PolarHBondContact O-N 3.45Å; L136-Q140 VanDerWaalsContact O-N 3.11Å; L136-Q140 PolarHBondContact O-NE2 3.07Å; L136-I256 HydrophobicContact CD2-CB 4.07Å; L136-I256 HydrophobicContact CD2-CD1 4.4Å; L136-I256 HydrophobicContact CD2-CG1 3.98Å; L136-L407 HydrophobicContact CD1-CD2 4.1Å
137F98.8Very high97.9Very high0 Ų021.7 Ų21.70%012%0.121CC..Hα-helixtrans-61.3-44.3175.9-77.9-47.1000112L108 A110 G124 M125 T135 Q140 A141 W163 T175 F178 F179 F185 V253L108-F137 HydrophobicContact CD2-CD1 4.02Å; L108-F137 HydrophobicContact CD2-CE1 3.62Å; A110-F137 HydrophobicContact CB-CE1 4.41Å; A110-F137 HydrophobicContact CB-CZ 4.42Å; G124-F137 VanDerWaalsContact C-CE2 3.47Å; G124-F137 VanDerWaalsContact CA-CE2 3.47Å; G124-F137 WeakPolarHBondContact O-CD2 3.2Å; G124-F137 WeakPolarHBondContact O-CG 3.37Å; G124-F137 PolarHBondContact O-N 3.43Å; M125-F137 HydrophobicContact CG-CD2 4.04Å; M125-F137 HydrophobicContact CG-CE2 3.9Å; T135-F137 VanDerWaalsContact C-N 3.26Å; T135-F137 PolarHBondContact O-N 3Å; F137-Q140 PolarHBondContact O-N 3.3Å; F137-A141 WeakPolarHBondContact O-CB 3.38Å; F137-A141 PolarHBondContact O-N 2.84Å; F137-W163 HydrophobicContact CD1-CH2 4.45Å; F137-T175 HydrophobicContact CE2-CG2 4.17Å; F137-T175 HydrophobicContact CZ-CG2 3.86Å; F137-F178 HydrophobicContact CB-CE1 4.38Å; F137-F178 AromaticContact CD2-CD1 3.94Å; F137-F178 HydrophobicContact CD2-CD1 3.94Å; F137-F178 AromaticContact CD2-CE1 4Å; F137-F178 HydrophobicContact CD2-CE1 4Å; F137-F179 HydrophobicContact CB-CE2 4.14Å; F137-F179 HydrophobicContact CB-CZ 4.2Å; F137-F179 AromaticContact CD1-CE2 3.7Å; F137-F179 HydrophobicContact CD1-CE2 3.7Å; F137-F179 AromaticContact CD1-CZ 3.79Å; F137-F179 HydrophobicContact CD1-CZ 3.79Å; F137-F179 AromaticContact CD2-CE2 3.8Å; F137-F179 HydrophobicContact CD2-CE2 3.8Å; F137-F179 AromaticContact CE1-CE2 3.93Å; F137-F179 HydrophobicContact CE1-CE2 3.93Å; F137-F179 HydrophobicContact CE1-CZ 4.26Å; F137-F179 HydrophobicContact CE2-CE2 4.04Å; F137-F179 AromaticContact CG-CE2 3.63Å; F137-F179 HydrophobicContact CG-CE2 3.63Å; F137-F179 AromaticContact CG-CZ 3.98Å; F137-F179 HydrophobicContact CG-CZ 3.98Å; F137-F179 HydrophobicContact CZ-CE2 4.11Å; F137-F185 HydrophobicContact CB-CE2 4.09Å; F137-F185 HydrophobicContact CB-CZ 4.25Å; F137-V253 HydrophobicContact CE1-CG2 4.15Å
138Q98.9Very high97.9Very high48 Ų4820.8 Ų20.822%0.22412%0.115CC..Hα-helixtrans-65.2-45.7-179.5-177.3170.6-4.300111.8K134 T135 Q140 A141 E142 F185K134-Q138 HydrophobicContact CB-CB 4.4Å; K134-Q138 HydrophobicContact CB-CG 4.4Å; K134-Q138 HydrophobicContact CD-CG 4.27Å; K134-Q138 HydrophobicContact CG-CG 4.16Å; T135-Q138 PolarHBondContact O-N 3.42Å; T135-Q138 VanDerWaalsContact O-N 3.11Å; T135-Q138 PolarHBondContact OG1-N 3.12Å; Q138-Q140 VanDerWaalsContact C-N 3.26Å; Q138-Q140 PolarHBondContact O-N 2.76Å; Q138-A141 PolarHBondContact O-N 3.16Å; Q138-E142 HydrophobicContact CG-CG 4.35Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.4Å; Q138-E142 PolarHBondContact NE2-OE1 2.8Å; Q138-E142 WeakPolarHBondContact O-CG 3.47Å; Q138-E142 PolarHBondContact O-N 3.46Å; Q138-F185 HydrophobicContact CB-CD1 3.7Å; Q138-F185 HydrophobicContact CB-CE1 3.82Å; Q138-F185 HydrophobicContact CB-CG 4.38Å; Q138-F185 HydrophobicContact CG-CD1 3.73Å; Q138-F185 HydrophobicContact CG-CE1 4.29Å; Q138-F185 HydrophobicContact CG-CG 4.41Å
139I98.9Very high97.9Very high6 Ų624.3 Ų24.33%0.03113%0.131CC..Hα-helixtrans-57.6-42.8177.2-64167.9000110.7L130 K134 T135 R143 I256 L426 P483L130-I139 HydrophobicContact CD1-CD1 3.62Å; K134-I139 HydrophobicContact CB-CD1 4.48Å; K134-I139 HydrophobicContact CB-CG1 3.97Å; T135-I139 WeakPolarHBondContact O-CG1 3.31Å; T135-I139 PolarHBondContact O-N 3.04Å; T135-I139 VanDerWaalsContact O-N 3.08Å; I139-R143 WeakPolarHBondContact O-CG 3.36Å; I139-R143 PolarHBondContact O-N 2.84Å; I139-R143 VanDerWaalsContact O-N 3.1Å; I139-I256 HydrophobicContact CD1-CD1 4.45Å; I139-I256 HydrophobicContact CD1-CG1 4.18Å; I139-L426 HydrophobicContact CD1-CD2 4.48Å; I139-P483 HydrophobicContact CG2-CG 4.17Å
140Q98.9Very high97.9Very high3 Ų324 Ų241%0.01412%0.12CC..Hα-helixtrans-67.2-41.8178.2-69.5169.530.200112.3L136 F137 Q138 R143 I144 W163 Y251 V253 V258 V260L136-Q140 WeakPolarHBondContact O-CB 3.33Å; L136-Q140 WeakPolarHBondContact O-CG 3.38Å; L136-Q140 PolarHBondContact O-N 3.45Å; L136-Q140 VanDerWaalsContact O-N 3.11Å; L136-Q140 PolarHBondContact O-NE2 3.07Å; F137-Q140 PolarHBondContact O-N 3.3Å; Q138-Q140 VanDerWaalsContact C-N 3.26Å; Q138-Q140 PolarHBondContact O-N 2.76Å; Q140-R143 WeakPolarHBondContact O-CB 3.45Å; Q140-R143 PolarHBondContact O-N 3.01Å; Q140-I144 WeakPolarHBondContact O-CG1 3.25Å; Q140-I144 PolarHBondContact O-N 2.85Å; Q140-W163 HydrophobicContact CB-CH2 4.08Å; Q140-W163 HydrophobicContact CB-CZ2 3.97Å; Q140-Y251 HydrophobicContact CG-CE2 4.25Å; Q140-Y251 VanDerWaalsContact OE1-CE2 3.26Å; Q140-Y251 PolarHBondContact OE1-OH 3.17Å; Q140-V253 PolarHBondContact NE2-O 3.5Å; Q140-V253 VanDerWaalsContact NE2-O 3.1Å; Q140-V258 HydrophobicContact CG-CG1 4.05Å; Q140-V260 HydrophobicContact CB-CG2 3.97Å; Q140-V260 HydrophobicContact CG-CG2 3.88Å
141A98.9Very high97.8Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-62.7-44.1177.200000111.9F137 Q138 R143 I144 L145 W163 F185 L187F137-A141 WeakPolarHBondContact O-CB 3.38Å; F137-A141 PolarHBondContact O-N 2.84Å; Q138-A141 PolarHBondContact O-N 3.16Å; A141-R143 VanDerWaalsContact C-N 3.32Å; A141-R143 PolarHBondContact O-N 2.97Å; A141-I144 WeakPolarHBondContact O-CB 3.42Å; A141-I144 PolarHBondContact O-N 3.39Å; A141-I144 VanDerWaalsContact O-N 3.13Å; A141-L145 PolarHBondContact O-N 2.94Å; A141-W163 HydrophobicContact CB-CH2 4.06Å; A141-W163 HydrophobicContact CB-CZ3 3.64Å; A141-F185 HydrophobicContact CB-CB 3.57Å; A141-F185 HydrophobicContact CB-CD2 3.96Å; A141-F185 HydrophobicContact CB-CG 4.01Å; A141-L187 HydrophobicContact CB-CD1 3.94Å
142E98.9Very high97.7Very high9 Ų927.1 Ų27.14%0.04213%0.13CC..Hα-helixtrans-66.7-33.3178.5-70.5175.1-175.400112K134 Q138 I144 L145 K146 P483 L484K134-E142 VanDerWaalsContact CE-OE1 3.28Å; K134-E142 WeakPolarHBondContact CE-OE1 3.1Å; K134-E142 IonicContact NZ-OE1 3.89Å; K134-E142 PolarHBondContact NZ-OE1 2.88Å; K134-E142 IonicContact NZ-OE2 3.53Å; K134-E142 PolarHBondContact NZ-OE2 3.48Å; Q138-E142 HydrophobicContact CG-CG 4.35Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.4Å; Q138-E142 PolarHBondContact NE2-OE1 2.8Å; Q138-E142 WeakPolarHBondContact O-CG 3.47Å; Q138-E142 PolarHBondContact O-N 3.46Å; E142-I144 VanDerWaalsContact C-N 3.35Å; E142-L145 PolarHBondContact O-N 3.15Å; E142-K146 WeakPolarHBondContact O-CB 3.47Å; E142-K146 PolarHBondContact O-N 3.39Å; E142-P483 HydrophobicContact CB-CB 3.84Å; E142-P483 HydrophobicContact CB-CG 4.05Å; E142-P483 WeakPolarHBondContact OE2-CD 3.48Å; E142-L484 HydrophobicContact CB-CD2 4Å; E142-L484 HydrophobicContact CB-CG 4.06Å; E142-L484 HydrophobicContact CG-CD1 4.3Å; E142-L484 HydrophobicContact CG-CD2 4.22Å; E142-L484 HydrophobicContact CG-CG 4.06Å
143R98.9Very high97.4Very high11 Ų1132.5 Ų32.54%0.04215%0.152CC..Hα-helixtrans-61.8-40.7170.2-78.7178.1177.1142.58.6112.1I139 Q140 A141 K146 L147 I256 V258 V260 P483 Y487I139-R143 WeakPolarHBondContact O-CG 3.36Å; I139-R143 PolarHBondContact O-N 2.84Å; I139-R143 VanDerWaalsContact O-N 3.1Å; Q140-R143 WeakPolarHBondContact O-CB 3.45Å; Q140-R143 PolarHBondContact O-N 3.01Å; A141-R143 VanDerWaalsContact C-N 3.32Å; A141-R143 PolarHBondContact O-N 2.97Å; R143-K146 PolarHBondContact O-N 2.82Å; R143-L147 PolarHBondContact O-N 2.57Å; R143-L147 VanDerWaalsContact O-N 3.11Å; R143-I256 PolarHBondContact NH1-O 2.88Å; R143-I256 PolarHBondContact NH2-O 2.86Å; R143-V258 VanDerWaalsContact CD-O 3.22Å; R143-V258 WeakPolarHBondContact CD-O 3.29Å; R143-V258 VanDerWaalsContact CZ-O 3.24Å; R143-V258 PolarHBondContact NE-O 2.75Å; R143-V258 PolarHBondContact NH1-O 3.1Å; R143-V260 HydrophobicContact CB-CB 4.2Å; R143-V260 HydrophobicContact CB-CG2 4.47Å; R143-P483 HydrophobicContact CG-CB 3.77Å; R143-P483 HydrophobicContact CG-CG 4.06Å; R143-Y487 HydrophobicContact CB-CD2 4.25Å; R143-Y487 HydrophobicContact CB-CE2 3.99Å; R143-Y487 HydrophobicContact CG-CD2 4.25Å; R143-Y487 HydrophobicContact CG-CE2 4.19Å
144I98.9Very high96.8Very high0 Ų031.5 Ų31.50%015%0.146CC..Hα-helixtrans-63.5-49174.5-63.6166.5000110.2V106 Q140 A141 E142 K146 L147 Q148 V161 W163 L187 V260V106-I144 HydrophobicContact CG2-CD1 3.78Å; V106-I144 HydrophobicContact CG2-CG1 4.33Å; Q140-I144 WeakPolarHBondContact O-CG1 3.25Å; Q140-I144 PolarHBondContact O-N 2.85Å; A141-I144 WeakPolarHBondContact O-CB 3.42Å; A141-I144 PolarHBondContact O-N 3.39Å; A141-I144 VanDerWaalsContact O-N 3.13Å; E142-I144 VanDerWaalsContact C-N 3.35Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.11Å; I144-L147 PolarHBondContact O-N 3.21Å; I144-Q148 WeakPolarHBondContact O-CG 3.38Å; I144-Q148 PolarHBondContact O-N 2.86Å; I144-V161 HydrophobicContact CG2-CB 3.99Å; I144-V161 HydrophobicContact CG2-CG1 4.35Å; I144-W163 HydrophobicContact CD1-CB 4.16Å; I144-W163 HydrophobicContact CD1-CD2 3.58Å; I144-W163 HydrophobicContact CD1-CE3 3.78Å; I144-W163 HydrophobicContact CD1-CG 3.8Å; I144-W163 HydrophobicContact CD1-CZ3 4.33Å; I144-L187 HydrophobicContact CB-CD2 4.34Å; I144-L187 HydrophobicContact CD1-CD1 4.4Å; I144-L187 HydrophobicContact CG2-CD2 3.84Å; I144-V260 HydrophobicContact CD1-CG1 4.02Å; I144-V260 HydrophobicContact CG1-CB 4.47Å; I144-V260 HydrophobicContact CG1-CG1 3.58Å
145L98.7Very high95.9Very high27 Ų2732.6 Ų32.614%0.14115%0.154CC..Hα-helixtrans-57.2-45.5177.7-76171.4000111.7A141 E142 L147 Q148 Q149 F185 L187 L484A141-L145 PolarHBondContact O-N 2.94Å; E142-L145 PolarHBondContact O-N 3.15Å; L145-L147 VanDerWaalsContact C-N 3.35Å; L145-L147 PolarHBondContact O-N 3.35Å; L145-Q148 PolarHBondContact O-N 3Å; L145-Q149 WeakPolarHBondContact O-CG 3.42Å; L145-Q149 PolarHBondContact O-N 3.48Å; L145-F185 VanDerWaalsContact CD1-O 3.26Å; L145-F185 WeakPolarHBondContact CD1-O 3.12Å; L145-L187 HydrophobicContact CD2-CD2 3.64Å; L145-L187 HydrophobicContact CD2-CG 4.25Å; L145-L187 HydrophobicContact CG-CD2 3.75Å; L145-L187 HydrophobicContact CG-CG 4.15Å; L145-L484 HydrophobicContact CB-CD2 3.79Å; L145-L484 HydrophobicContact CD1-CD2 4.23Å
146K98.5Very high95Very high21 Ų2137.8 Ų37.89%0.09119%0.186CC..Hα-helixtrans-58.7-45.4178-179.558.5162.4-168.70112E142 R143 I144 Q148 Q149 L150 P483 L484 V485 E490E142-K146 WeakPolarHBondContact O-CB 3.47Å; E142-K146 PolarHBondContact O-N 3.39Å; R143-K146 PolarHBondContact O-N 2.82Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.11Å; K146-Q148 PolarHBondContact O-N 3.1Å; K146-Q149 WeakPolarHBondContact O-CB 3.4Å; K146-Q149 PolarHBondContact O-N 3.35Å; K146-Q149 VanDerWaalsContact O-N 3.16Å; K146-L150 HydrophobicContact CD-CD1 4.33Å; K146-L150 HydrophobicContact CD-CG 4.19Å; K146-L150 HydrophobicContact CG-CD1 4.03Å; K146-L150 HydrophobicContact CG-CG 4.34Å; K146-L150 WeakPolarHBondContact O-CG 3.41Å; K146-L150 PolarHBondContact O-N 3.02Å; K146-P483 VanDerWaalsContact CB-O 3.26Å; K146-P483 WeakPolarHBondContact CB-O 3.44Å; K146-P483 WeakPolarHBondContact CD-O 3.12Å; K146-P483 WeakPolarHBondContact CG-O 3.26Å; K146-L484 WeakPolarHBondContact CD-O 3.47Å; K146-L484 PolarHBondContact NZ-O 3.32Å; K146-V485 WeakPolarHBondContact CE-O 3.19Å; K146-V485 VanDerWaalsContact NZ-C 3.34Å; K146-V485 PolarHBondContact NZ-O 2.92Å; K146-E490 VanDerWaalsContact CE-OE1 3.24Å; K146-E490 WeakPolarHBondContact CE-OE1 3.2Å
147L97.7Very high94.2Very high1 Ų141.8 Ų41.81%0.00521%0.21CC..Hα-helixtrans-64.6-38.7177.9-76.5172.7000112.8L96 I99 R143 I144 L145 Q149 L150 A151 V260 A261 P263 Y487L96-L147 HydrophobicContact CD2-CD2 4.21Å; I99-L147 HydrophobicContact CD1-CD1 4.33Å; I99-L147 HydrophobicContact CD1-CD2 4.41Å; R143-L147 PolarHBondContact O-N 2.57Å; R143-L147 VanDerWaalsContact O-N 3.11Å; I144-L147 PolarHBondContact O-N 3.21Å; L145-L147 VanDerWaalsContact C-N 3.35Å; L145-L147 PolarHBondContact O-N 3.35Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 2.99Å; L147-L150 HydrophobicContact CD2-CD1 4.43Å; L147-L150 PolarHBondContact O-N 2.93Å; L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.34Å; L147-A151 PolarHBondContact O-N 3.42Å; L147-V260 WeakPolarHBondContact CD1-O 3.43Å; L147-A261 HydrophobicContact CD1-CB 3.53Å; L147-A261 VanDerWaalsContact CD1-O 3.26Å; L147-A261 WeakPolarHBondContact CD1-O 3.43Å; L147-P263 HydrophobicContact CD2-CG 4.08Å; L147-Y487 HydrophobicContact CD1-CD2 4.31Å; L147-Y487 HydrophobicContact CD1-CE2 3.56Å; L147-Y487 HydrophobicContact CD2-CD1 4.21Å; L147-Y487 HydrophobicContact CD2-CD2 4.14Å; L147-Y487 HydrophobicContact CD2-CE1 4.12Å; L147-Y487 HydrophobicContact CD2-CE2 4.03Å; L147-Y487 HydrophobicContact CD2-CG 4.23Å; L147-Y487 HydrophobicContact CG-CD2 3.85Å; L147-Y487 HydrophobicContact CG-CE2 3.61Å; L147-Y487 HydrophobicContact CG-CG 4.42Å
148Q97.5Very high93.8Very high40 Ų4047.4 Ų47.419%0.18724%0.241CC..Hα-helixtrans-61.8-38.6173.6-67.3-178.2167.500111.5I144 L145 K146 K152 V161I144-Q148 WeakPolarHBondContact O-CG 3.38Å; I144-Q148 PolarHBondContact O-N 2.86Å; L145-Q148 PolarHBondContact O-N 3Å; K146-Q148 PolarHBondContact O-N 3.1Å; Q148-K152 VanDerWaalsContact O-CB 3.24Å; Q148-K152 WeakPolarHBondContact O-CB 3.43Å; Q148-K152 PolarHBondContact O-N 2.91Å; Q148-V161 HydrophobicContact CG-CG2 4.21Å
149Q96.4Very high93.5Very high79 Ų7945.9 Ų45.937%0.36924%0.235SC..Hα-helixtrans-65.8-47.7175-67.1168.9200111.9L145 K146 L147 K152 Q153L145-Q149 WeakPolarHBondContact O-CG 3.42Å; L145-Q149 PolarHBondContact O-N 3.48Å; K146-Q149 WeakPolarHBondContact O-CB 3.4Å; K146-Q149 PolarHBondContact O-N 3.35Å; K146-Q149 VanDerWaalsContact O-N 3.16Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 2.99Å; Q149-K152 PolarHBondContact O-N 3.39Å; Q149-Q153 WeakPolarHBondContact O-CG 3.37Å; Q149-Q153 PolarHBondContact O-N 2.92Å
150L95.7Very high93.3Very high31 Ų3146.8 Ų46.816%0.16224%0.242CC..Hα-helixtrans-62-44.7178.6-70.1173.3000111.6L96 K146 L147 Q153 K154L96-L150 HydrophobicContact CD2-CB 4.43Å; K146-L150 HydrophobicContact CD-CD1 4.33Å; K146-L150 HydrophobicContact CD-CG 4.19Å; K146-L150 HydrophobicContact CG-CD1 4.03Å; K146-L150 HydrophobicContact CG-CG 4.34Å; K146-L150 WeakPolarHBondContact O-CG 3.41Å; K146-L150 PolarHBondContact O-N 3.02Å; L147-L150 HydrophobicContact CD2-CD1 4.43Å; L147-L150 PolarHBondContact O-N 2.93Å; L150-Q153 PolarHBondContact O-N 3.36Å; L150-K154 PolarHBondContact O-N 3.29Å
151A93.9Very high93.3Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-63.1-43.6176.300000111.5I99 L147 Q153 K154 T155I99-A151 HydrophobicContact CB-CB 4.38Å; I99-A151 HydrophobicContact CG2-CB 3.78Å; L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.34Å; L147-A151 PolarHBondContact O-N 3.42Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 2.87Å; A151-K154 PolarHBondContact O-N 3.06Å; A151-K154 VanDerWaalsContact O-N 3.07Å; A151-T155 PolarHBondContact O-N 3.05Å; A151-T155 PolarHBondContact O-OG1 2.95Å; A151-T155 VanDerWaalsContact O-OG1 3.1Å
152K92.4Very high93.3Very high100 Ų10047 Ų4744%0.43524%0.243SC..Hα-helixtrans-60.4-38.7175.5178.9179.8178.7168.80112.7Q148 Q149 K154 T156 N158Q148-K152 VanDerWaalsContact O-CB 3.24Å; Q148-K152 WeakPolarHBondContact O-CB 3.43Å; Q148-K152 PolarHBondContact O-N 2.91Å; Q149-K152 PolarHBondContact O-N 3.39Å; K152-K154 PolarHBondContact O-N 3.11Å; K152-T156 WeakPolarHBondContact O-CA 3.49Å; K152-T156 PolarHBondContact O-N 3.26Å; K152-N158 VanDerWaalsContact CD-OD1 3.28Å; K152-N158 WeakPolarHBondContact CD-OD1 3.47Å; K152-N158 WeakPolarHBondContact CE-OD1 3.34Å; K152-N158 PolarHBondContact NZ-OD1 3.47Å
153Q89.8Confident93.3Very high145 Ų14546.6 Ų46.668%0.67824%0.241SC*.Hα-helixtrans-61.6-31.9176.2-72.7169.59.600112Q149 L150 A151Q149-Q153 WeakPolarHBondContact O-CG 3.37Å; Q149-Q153 PolarHBondContact O-N 2.92Å; L150-Q153 PolarHBondContact O-N 3.36Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 2.87Å
154K84.3Confident93.3Very high103 Ų10346.1 Ų46.145%0.44824%0.239SC..Hα-helixtrans-85.5-41.2-179.9-165.8-176.8-179.5-160.30113.2A93 D97 L150 A151 K152A93-K154 PolarHBondContact O-NZ 3.17Å; A93-K154 VanDerWaalsContact O-NZ 3.17Å; D97-K154 WeakPolarHBondContact OD1-CE 3.39Å; D97-K154 IonicContact OD1-NZ 2.92Å; D97-K154 PolarHBondContact OD1-NZ 2.86Å; D97-K154 IonicContact OD2-NZ 2.65Å; L150-K154 PolarHBondContact O-N 3.29Å; A151-K154 PolarHBondContact O-N 3.06Å; A151-K154 VanDerWaalsContact O-N 3.07Å; K152-K154 PolarHBondContact O-N 3.11Å
155T80.2Confident93.3Very high42 Ų4246.1 Ų46.126%0.25824%0.239SC..Hα-helixtrans-101.5-8.6-172.266.40000114.5A151 V157A151-T155 PolarHBondContact O-N 3.05Å; A151-T155 PolarHBondContact O-OG1 2.95Å; A151-T155 VanDerWaalsContact O-OG1 3.1Å; T155-V157 PolarHBondContact O-N 3.06Å; T155-V157 PolarHBondContact OG1-O 3.22Å
156T79.3Confident93.3Very high125 Ų12544.9 Ų44.977%0.76723%0.233SC*.SBendtrans57.61.8-172.769.50000116.1K152K152-T156 WeakPolarHBondContact O-CA 3.49Å; K152-T156 PolarHBondContact O-N 3.26Å
157V83.3Confident93.3Very high86 Ų8643.9 Ų43.952%0.52123%0.228SC..SBendtrans-105.9139.3179.3179.20000109.5T155 C159T155-V157 PolarHBondContact O-N 3.06Å; T155-V157 PolarHBondContact OG1-O 3.22Å; V157-C159 PolarHBondContact O-N 3.46Å
158N88.8Confident93.1Very high119 Ų11943.9 Ų43.964%0.63623%0.228SC*.  trans-64.7127.9170.5-69.4-31.2000109K152K152-N158 VanDerWaalsContact CD-OD1 3.28Å; K152-N158 WeakPolarHBondContact CD-OD1 3.47Å; K152-N158 WeakPolarHBondContact CE-OD1 3.34Å; K152-N158 PolarHBondContact NZ-OD1 3.47Å
159C93.9Very high92.8Very high15 Ų1544 Ų4410%0.10124%0.241CC..  trans-114.6162.9174.464.60000110.9I99 V157I99-C159 VanDerWaalsContact O-CB 3.28Å; I99-C159 WeakPolarHBondContact O-CB 3.32Å; V157-C159 PolarHBondContact O-N 3.46Å
160C94.9Very high92.5Very high26 Ų2645.6 Ų45.618%0.17624%0.243CC..  trans-127.6137.7176.7175.60000109.3S102 N191S102-C160 PolarHBondContact OG-N 3.39Å; S102-C160 VanDerWaalsContact OG-N 3.12Å; C160-N191 PolarHBondContact SG-OD1 2.89Å; C160-N191 VanDerWaalsContact SG-OD1 3.35Å
161V98.4Very high92.4Very high2 Ų244.1 Ų44.11%0.01224%0.236CC..  trans-114.797.3166.8-179.50000107.4I99 V106 I144 Q148 W163 A261I99-V161 HydrophobicContact CG2-CG2 3.77Å; V106-V161 HydrophobicContact CG1-CG1 4.06Å; V106-V161 HydrophobicContact CG2-CG1 4.19Å; I144-V161 HydrophobicContact CG2-CB 3.99Å; I144-V161 HydrophobicContact CG2-CG1 4.35Å; Q148-V161 HydrophobicContact CG-CG2 4.21Å; V161-W163 PolarHBondContact O-N 3.49Å; V161-A261 HydrophobicContact CG1-CB 4.29Å
162P98.8Very high92.5Very high5 Ų544.7 Ų44.73%0.03224%0.238CC..  trans-58.8136.4177.5-23.934.2000111.1V104 A105 V106 Y164 I193 V245V104-P162 WeakPolarHBondContact O-CD 3.3Å; A105-P162 WeakPolarHBondContact CA-O 3.47Å; A105-P162 HydrophobicContact CB-CB 4.24Å; A105-P162 HydrophobicContact CB-CG 4.48Å; V106-P162 PolarHBondContact N-O 3.01Å; P162-Y164 HydrophobicContact CB-CD2 4.47Å; P162-Y164 HydrophobicContact CB-CE2 3.78Å; P162-I193 HydrophobicContact CB-CD1 4.35Å; P162-V245 HydrophobicContact CG-CG2 4.36Å
163W98.9Very high92.8Very high1 Ų145.5 Ų45.50%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-109.3103.8178.2-1668.7000110.4V106 L108 F137 Q140 A141 I144 V161 I165 F179 L187 N191 V192 I193 Y251V106-W163 HydrophobicContact CG2-CB 4.11Å; V106-W163 HydrophobicContact CG2-CG 3.93Å; L108-W163 HydrophobicContact CD2-CZ2 3.79Å; F137-W163 HydrophobicContact CD1-CH2 4.45Å; Q140-W163 HydrophobicContact CB-CH2 4.08Å; Q140-W163 HydrophobicContact CB-CZ2 3.97Å; A141-W163 HydrophobicContact CB-CH2 4.06Å; A141-W163 HydrophobicContact CB-CZ3 3.64Å; I144-W163 HydrophobicContact CD1-CB 4.16Å; I144-W163 HydrophobicContact CD1-CD2 3.58Å; I144-W163 HydrophobicContact CD1-CE3 3.78Å; I144-W163 HydrophobicContact CD1-CG 3.8Å; I144-W163 HydrophobicContact CD1-CZ3 4.33Å; V161-W163 PolarHBondContact O-N 3.49Å; W163-I165 HydrophobicContact CD2-CD1 3.81Å; W163-I165 HydrophobicContact CD2-CG1 4.04Å; W163-I165 HydrophobicContact CE3-CD1 4.08Å; W163-I165 HydrophobicContact CG-CD1 4.23Å; W163-I165 HydrophobicContact CG-CG1 4Å; W163-I165 HydrophobicContact CH2-CD1 4.49Å; W163-I165 HydrophobicContact CZ2-CD1 4.25Å; W163-I165 HydrophobicContact CZ3-CD1 4.41Å; W163-F179 AromaticContact CE3-CE1 3.97Å; W163-F179 HydrophobicContact CE3-CE1 3.97Å; W163-F179 HydrophobicContact CE3-CZ 4.39Å; W163-F179 HydrophobicContact CH2-CE1 4Å; W163-F179 AromaticContact CH2-CZ 3.73Å; W163-F179 HydrophobicContact CH2-CZ 3.73Å; W163-F179 HydrophobicContact CZ2-CZ 4.44Å; W163-F179 AromaticContact CZ3-CE1 3.45Å; W163-F179 HydrophobicContact CZ3-CE1 3.45Å; W163-F179 VanDerWaalsContact CZ3-CE1 3.45Å; W163-F179 AromaticContact CZ3-CZ 3.69Å; W163-F179 HydrophobicContact CZ3-CZ 3.69Å; W163-L187 HydrophobicContact CE3-CD1 3.57Å; W163-L187 HydrophobicContact CZ3-CD1 3.88Å; W163-N191 PolarHBondContact N-O 2.93Å; W163-V192 HydrophobicContact CE3-CG2 4.44Å; W163-V192 CarbonylContact O-C 3.49Å; W163-V192 WeakPolarHBondContact O-CA 3.39Å; W163-I193 PolarHBondContact O-N 3.37Å; W163-Y251 WeakPolarHBondContact CZ2-OH 3.42Å; W163-Y251 PolarHBondContact NE1-OH 3.13Å; W163-Y251 VanDerWaalsContact NE1-OH 3.09Å
164Y98.9Very high93.1Very high0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-88.1122.9173.4-61.1-83.9000109A105 V106 L107 L108 P162 I193 I236 D239 M240A105-Y164 HydrophobicContact CB-CD2 3.98Å; A105-Y164 HydrophobicContact CB-CE2 3.64Å; V106-Y164 PolarHBondContact O-N 2.84Å; L107-Y164 CarbonylContact C-O 3.5Å; L107-Y164 VanDerWaalsContact CA-O 3.29Å; L107-Y164 WeakPolarHBondContact CA-O 3.34Å; L108-Y164 PolarHBondContact N-O 2.88Å; P162-Y164 HydrophobicContact CB-CD2 4.47Å; P162-Y164 HydrophobicContact CB-CE2 3.78Å; Y164-I193 CarbonylContact C-O 3.6Å; Y164-I193 WeakPolarHBondContact CA-O 3.19Å; Y164-I193 HydrophobicContact CD1-CB 3.67Å; Y164-I193 HydrophobicContact CD1-CD1 4.19Å; Y164-I193 HydrophobicContact CD1-CG1 4.17Å; Y164-I193 HydrophobicContact CD1-CG2 3.95Å; Y164-I193 HydrophobicContact CE1-CB 3.94Å; Y164-I193 HydrophobicContact CE1-CD1 3.87Å; Y164-I193 HydrophobicContact CE1-CG1 3.92Å; Y164-I193 HydrophobicContact CE1-CG2 4.18Å; Y164-I236 HydrophobicContact CD1-CG2 3.57Å; Y164-I236 HydrophobicContact CE1-CG2 3.78Å; Y164-I236 HydrophobicContact CG-CG2 4.3Å; Y164-D239 HydrophobicContact CE1-CB 4.5Å; Y164-D239 VanDerWaalsContact CE1-OD2 3.25Å; Y164-D239 WeakPolarHBondContact CE1-OD2 3.3Å; Y164-D239 VanDerWaalsContact CZ-OD2 3.3Å; Y164-D239 PolarHBondContact OH-OD2 3.31Å; Y164-M240 HydrophobicContact CD1-CE 4.32Å; Y164-M240 HydrophobicContact CD2-CE 3.57Å; Y164-M240 HydrophobicContact CE1-CE 4.41Å; Y164-M240 HydrophobicContact CE1-CG 4.26Å; Y164-M240 HydrophobicContact CE2-CE 3.64Å; Y164-M240 HydrophobicContact CE2-CG 3.7Å; Y164-M240 HydrophobicContact CG-CE 3.93Å; Y164-M240 WeakPolarHBondContact OH-CG 3.28Å
165I98.9Very high93.8Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-116.3106.7-177.2-58.4176.2000108.5L108 A110 W163 T167 T175 F179 V192 I193 F194 F195L108-I165 HydrophobicContact CB-CG1 4.39Å; L108-I165 HydrophobicContact CD2-CG1 4.44Å; L108-I165 HydrophobicContact CD2-CG2 4.29Å; A110-I165 HydrophobicContact CB-CG2 4.08Å; W163-I165 HydrophobicContact CD2-CD1 3.81Å; W163-I165 HydrophobicContact CD2-CG1 4.04Å; W163-I165 HydrophobicContact CE3-CD1 4.08Å; W163-I165 HydrophobicContact CG-CD1 4.23Å; W163-I165 HydrophobicContact CG-CG1 4Å; W163-I165 HydrophobicContact CH2-CD1 4.49Å; W163-I165 HydrophobicContact CZ2-CD1 4.25Å; W163-I165 HydrophobicContact CZ3-CD1 4.41Å; I165-T167 HydrophobicContact CG2-CG2 4.16Å; I165-T167 PolarHBondContact O-N 3.38Å; I165-T175 HydrophobicContact CG2-CG2 4.43Å; I165-F179 HydrophobicContact CD1-CE1 3.69Å; I165-F179 HydrophobicContact CD1-CE2 4.08Å; I165-F179 HydrophobicContact CD1-CZ 3.4Å; I165-F179 VanDerWaalsContact CD1-CZ 3.4Å; I165-V192 HydrophobicContact CD1-CG1 3.73Å; I165-I193 PolarHBondContact N-O 2.88Å; I165-F194 HydrophobicContact CB-CD1 3.79Å; I165-F194 HydrophobicContact CB-CE1 4.03Å; I165-F194 HydrophobicContact CD1-CD1 4.22Å; I165-F194 HydrophobicContact CD1-CE1 3.57Å; I165-F194 HydrophobicContact CD1-CZ 4.19Å; I165-F194 HydrophobicContact CG1-CE1 4.34Å; I165-F194 HydrophobicContact CG2-CD1 4Å; I165-F194 HydrophobicContact CG2-CE1 4.15Å; I165-F195 PolarHBondContact O-N 3.23Å; I165-F195 VanDerWaalsContact O-N 3.09Å
166M98.7Very high94.7Very high1 Ų137.2 Ų37.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-81.2113.9175.4-169174.578.200110L108 L109 A110 G111 F195 Q197 L227L108-M166 WeakPolarHBondContact O-CB 3.44Å; L108-M166 PolarHBondContact O-N 2.85Å; L109-M166 HydrophobicContact CD2-CE 3.49Å; L109-M166 VanDerWaalsContact CD2-CE 3.49Å; L109-M166 HydrophobicContact CD2-SD 4.37Å; A110-M166 CarbonylContact C-O 3.11Å; A110-M166 VanDerWaalsContact CA-O 3.23Å; A110-M166 WeakPolarHBondContact CA-O 3.36Å; A110-M166 PolarHBondContact N-O 3.4Å; G111-M166 PolarHBondContact N-O 2.68Å; M166-F195 WeakPolarHBondContact CA-O 3.22Å; M166-F195 HydrophobicContact CB-CE1 3.8Å; M166-F195 HydrophobicContact CB-CE2 3.88Å; M166-F195 HydrophobicContact CB-CZ 3.44Å; M166-F195 VanDerWaalsContact CB-CZ 3.44Å; M166-F195 HydrophobicContact CG-CD2 4.27Å; M166-F195 HydrophobicContact CG-CE1 4.45Å; M166-F195 HydrophobicContact CG-CE2 3.64Å; M166-F195 HydrophobicContact CG-CZ 3.75Å; M166-F195 HydrophobicContact SD-CE2 3.99Å; M166-F195 HydrophobicContact SD-CZ 4.2Å; M166-Q197 HydrophobicContact CE-CB 4.39Å; M166-Q197 HydrophobicContact CG-CB 4.08Å; M166-Q197 HydrophobicContact SD-CB 3.95Å; M166-L227 HydrophobicContact CE-CB 4.23Å; M166-L227 WeakPolarHBondContact SD-CA 3.45Å; M166-L227 HydrophobicContact SD-CB 3.76Å; M166-L227 HydrophobicContact SD-CD1 3.65Å; M166-L227 HydrophobicContact SD-CG 4.34Å
167T98.1Very high95.6Very high0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-103.5-179.3175.263.90000110.6I165 T171 M172 T175 F195 Q197I165-T167 HydrophobicContact CG2-CG2 4.16Å; I165-T167 PolarHBondContact O-N 3.38Å; T167-T171 WeakPolarHBondContact CB-OG1 3.24Å; T167-M172 HydrophobicContact CG2-SD 4.37Å; T167-M172 WeakPolarHBondContact OG1-CE 3.28Å; T167-M172 PolarHBondContact OG1-SD 3.32Å; T167-M172 VanDerWaalsContact OG1-SD 3.39Å; T167-T175 HydrophobicContact CG2-CG2 4.25Å; T167-F195 PolarHBondContact N-O 3.14Å; T167-F195 PolarHBondContact OG1-O 3.01Å; T167-Q197 WeakPolarHBondContact O-CG 3.46Å; T167-Q197 PolarHBondContact O-N 2.82Å; T167-Q197 PolarHBondContact O-NE2 3.17Å
168S94.8Very high96.3Very high1 Ų132.5 Ų32.51%0.00717%0.173CC..  trans-115170.8163.7670000109.2G111 R170 T171 M172G111-S168 WeakPolarHBondContact O-CB 3.36Å; G111-S168 PolarHBondContact O-OG 2.9Å; S168-R170 PolarHBondContact O-N 2.99Å; S168-R170 PolarHBondContact OG-N 3.12Å; S168-T171 PolarHBondContact N-OG1 3.37Å; S168-T171 PolarHBondContact O-N 3.49Å; S168-T171 PolarHBondContact OG-OG1 3.07Å; S168-M172 PolarHBondContact O-N 3.17Å
169G90.9Very high96.8Very high43 Ų4326.8 Ų26.844%0.44314%0.142SC..THydrogen-bonded Turntrans-55.6-22173.500000113.6Q196G169-Q196 VanDerWaalsContact CA-CD 3.45Å
170R88.8Confident97Very high112 Ų11229 Ų2942%0.42316%0.158SC..THydrogen-bonded Turntrans-87.2-17.6177.9-59.7-177.1179.1-132.2-1.4114.2Q113 S168 M219Q113-R170 HydrophobicContact CG-CB 4.25Å; S168-R170 PolarHBondContact O-N 2.99Å; S168-R170 PolarHBondContact OG-N 3.12Å; R170-M219 PolarHBondContact NH2-O 2.92Å
171T94.5Very high97.2Very high0 Ų034.4 Ų34.40%018%0.181CC..THydrogen-bonded Turntrans-113.7-22.5-175.1610000113.6A110 Q113 P122 T167 S168 E173 S174 T175A110-T171 PolarHBondContact O-OG1 2.72Å; Q113-T171 HydrophobicContact CG-CG2 3.78Å; P122-T171 HydrophobicContact CB-CG2 4.02Å; P122-T171 HydrophobicContact CG-CG2 3.82Å; T167-T171 WeakPolarHBondContact CB-OG1 3.24Å; S168-T171 PolarHBondContact N-OG1 3.37Å; S168-T171 PolarHBondContact O-N 3.49Å; S168-T171 PolarHBondContact OG-OG1 3.07Å; T171-E173 PolarHBondContact O-N 3.48Å; T171-S174 PolarHBondContact O-N 3.04Å; T171-S174 PolarHBondContact O-OG 2.89Å; T171-T175 WeakPolarHBondContact O-CB 3.18Å; T171-T175 PolarHBondContact O-N 3.02Å; T171-T175 PolarHBondContact O-OG1 3.03Å
172M96.4Very high97.2Very high12 Ų1238.1 Ų38.16%0.05920%0.197CC..Hα-helixtrans-47-64.5-173.1178.958.286.900114.5T167 S168 S174 T175 K176 F194 Q196T167-M172 HydrophobicContact CG2-SD 4.37Å; T167-M172 WeakPolarHBondContact OG1-CE 3.28Å; T167-M172 PolarHBondContact OG1-SD 3.32Å; T167-M172 VanDerWaalsContact OG1-SD 3.39Å; S168-M172 PolarHBondContact O-N 3.17Å; M172-S174 PolarHBondContact O-N 3.1Å; M172-T175 PolarHBondContact O-N 3.38Å; M172-K176 HydrophobicContact CG-CD 4.41Å; M172-K176 PolarHBondContact O-N 2.74Å; M172-K176 HydrophobicContact SD-CD 3.88Å; M172-K176 WeakPolarHBondContact SD-CE 3.32Å; M172-K176 HydrophobicContact SD-CG 4.15Å; M172-F194 HydrophobicContact CE-CB 4.45Å; M172-F194 HydrophobicContact SD-CB 4.05Å; M172-Q196 HydrophobicContact CE-CB 3.62Å; M172-Q196 HydrophobicContact CE-CG 4.18Å
173E97.4Very high97.2Very high118 Ų11846 Ų4655%0.55123%0.231SC*.Hα-helixtrans-64.2-45.6-172.4-67.7-54.2121.500111.9T171 T175 K176 N177T171-E173 PolarHBondContact O-N 3.48Å; E173-T175 VanDerWaalsContact C-N 3.29Å; E173-T175 PolarHBondContact O-N 3.14Å; E173-K176 PolarHBondContact O-N 3.38Å; E173-N177 WeakPolarHBondContact O-CB 3.01Å; E173-N177 VanDerWaalsContact O-CG 3.27Å; E173-N177 PolarHBondContact O-N 2.9Å; E173-N177 PolarHBondContact O-ND2 2.9Å
174S97.2Very high97.2Very high40 Ų4048.2 Ų48.228%0.2824%0.24SC..Hα-helixtrans-58.8-41.417759.80000111.9P122 M125 T171 M172 F178P122-S174 VanDerWaalsContact CD-OG 3.25Å; P122-S174 WeakPolarHBondContact CD-OG 3.25Å; P122-S174 WeakPolarHBondContact CG-OG 3.42Å; M125-S174 WeakPolarHBondContact CE-O 3.27Å; T171-S174 PolarHBondContact O-N 3.04Å; T171-S174 PolarHBondContact O-OG 2.89Å; M172-S174 PolarHBondContact O-N 3.1Å; S174-F178 WeakPolarHBondContact O-CB 3.38Å; S174-F178 PolarHBondContact O-N 3.31Å
175T98.4Very high97.2Very high0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-66.3-45.8178.7-62.90000111.5F137 I165 T167 T171 M172 E173 N177 F178 F179 F194F137-T175 HydrophobicContact CE2-CG2 4.17Å; F137-T175 HydrophobicContact CZ-CG2 3.86Å; I165-T175 HydrophobicContact CG2-CG2 4.43Å; T167-T175 HydrophobicContact CG2-CG2 4.25Å; T171-T175 WeakPolarHBondContact O-CB 3.18Å; T171-T175 PolarHBondContact O-N 3.02Å; T171-T175 PolarHBondContact O-OG1 3.03Å; M172-T175 PolarHBondContact O-N 3.38Å; E173-T175 VanDerWaalsContact C-N 3.29Å; E173-T175 PolarHBondContact O-N 3.14Å; T175-N177 PolarHBondContact O-N 3.37Å; T175-F178 PolarHBondContact O-N 3.34Å; T175-F179 HydrophobicContact CG2-CD2 3.99Å; T175-F179 HydrophobicContact CG2-CE2 3.97Å; T175-F179 VanDerWaalsContact O-CD2 3.32Å; T175-F179 WeakPolarHBondContact O-CD2 3.49Å; T175-F179 PolarHBondContact O-N 2.65Å; T175-F194 HydrophobicContact CG2-CD1 4.11Å; T175-F194 HydrophobicContact CG2-CE1 3.66Å
176K98.6Very high97.1Very high76 Ų7652 Ų5233%0.3327%0.273SS..Hα-helixtrans-60.4-43.5177.6-79178.8170.8170.20112.6M172 E173 S180 F194M172-K176 HydrophobicContact CG-CD 4.41Å; M172-K176 PolarHBondContact O-N 2.74Å; M172-K176 HydrophobicContact SD-CD 3.88Å; M172-K176 WeakPolarHBondContact SD-CE 3.32Å; M172-K176 HydrophobicContact SD-CG 4.15Å; E173-K176 PolarHBondContact O-N 3.38Å; K176-S180 WeakPolarHBondContact O-CB 3.22Å; K176-S180 PolarHBondContact O-N 3.33Å; K176-S180 PolarHBondContact O-OG 3.41Å; K176-F194 HydrophobicContact CG-CB 4.33Å; K176-F194 HydrophobicContact CG-CD1 4.41Å; K176-F194 HydrophobicContact CG-CD2 3.81Å; K176-F194 HydrophobicContact CG-CE2 4.2Å; K176-F194 HydrophobicContact CG-CG 3.92Å
177N98.6Very high97.1Very high83 Ų8352.8 Ų52.844%0.44428%0.277SS..Hα-helixtrans-63.5-48.7178.7-69-12.9000110.7E173 T175 F179 S180 E181E173-N177 WeakPolarHBondContact O-CB 3.01Å; E173-N177 VanDerWaalsContact O-CG 3.27Å; E173-N177 PolarHBondContact O-N 2.9Å; E173-N177 PolarHBondContact O-ND2 2.9Å; T175-N177 PolarHBondContact O-N 3.37Å; N177-F179 VanDerWaalsContact C-N 3.35Å; N177-F179 PolarHBondContact O-N 3.32Å; N177-S180 PolarHBondContact O-N 3Å; N177-S180 VanDerWaalsContact O-N 3.09Å; N177-E181 WeakPolarHBondContact O-CB 3.44Å; N177-E181 WeakPolarHBondContact O-CG 3.49Å; N177-E181 PolarHBondContact O-N 3.5Å
178F98.6Very high97.1Very high28 Ų2857 Ų5712%0.12330%0.3CS..Hα-helixtrans-58.1-44.3179.1-173.2-106.6000112.7M125 T135 F137 S174 T175 H182 F185M125-F178 HydrophobicContact CB-CE1 4.41Å; M125-F178 HydrophobicContact CB-CE2 4.46Å; M125-F178 HydrophobicContact CB-CZ 4.35Å; M125-F178 HydrophobicContact CE-CB 3.59Å; M125-F178 HydrophobicContact CE-CD1 4.48Å; M125-F178 HydrophobicContact CE-CG 4.03Å; M125-F178 HydrophobicContact CG-CB 4.44Å; M125-F178 HydrophobicContact CG-CD1 3.81Å; M125-F178 HydrophobicContact CG-CD2 4.14Å; M125-F178 HydrophobicContact CG-CE1 4.01Å; M125-F178 HydrophobicContact CG-CE2 4.34Å; M125-F178 HydrophobicContact CG-CG 3.87Å; M125-F178 HydrophobicContact CG-CZ 4.31Å; M125-F178 HydrophobicContact SD-CB 4.09Å; M125-F178 HydrophobicContact SD-CD2 4.08Å; M125-F178 HydrophobicContact SD-CG 3.99Å; T135-F178 HydrophobicContact CG2-CE1 4.5Å; T135-F178 HydrophobicContact CG2-CZ 3.81Å; F137-F178 HydrophobicContact CB-CE1 4.38Å; F137-F178 AromaticContact CD2-CD1 3.94Å; F137-F178 HydrophobicContact CD2-CD1 3.94Å; F137-F178 AromaticContact CD2-CE1 4Å; F137-F178 HydrophobicContact CD2-CE1 4Å; S174-F178 WeakPolarHBondContact O-CB 3.38Å; S174-F178 PolarHBondContact O-N 3.31Å; T175-F178 PolarHBondContact O-N 3.34Å; F178-H182 AromaticContact CD2-CE1 3.61Å; F178-H182 AromaticContact CD2-ND1 3.8Å; F178-H182 AromaticContact CE2-CE1 3.22Å; F178-H182 WeakPolarHBondContact CE2-CE1 3.41Å; F178-H182 AromaticContact CE2-ND1 3.73Å; F178-H182 AromaticContact CE2-NE2 3.95Å; F178-H182 AromaticContact CZ-CE1 3.67Å; F178-H182 AromaticContact CZ-ND1 3.98Å; F178-H182 PolarHBondContact O-N 3.1Å; F178-H182 VanDerWaalsContact O-N 3.13Å; F178-H182 PolarHBondContact O-ND1 3.28Å; F178-F185 AromaticContact CD1-CZ 3.91Å; F178-F185 HydrophobicContact CD1-CZ 3.91Å; F178-F185 HydrophobicContact CE1-CE1 4.27Å; F178-F185 HydrophobicContact CE1-CE2 4.49Å; F178-F185 AromaticContact CE1-CZ 3.53Å; F178-F185 HydrophobicContact CE1-CZ 3.53Å; F178-F185 HydrophobicContact CZ-CZ 4.34Å
179F98.8Very high97.3Very high0 Ų062.9 Ų62.90%033%0.325CS..Hα-helixtrans-64.3-40.7175.6-90.2-109000112.4F137 W163 I165 T175 N177 H182 K183 Y184 F185 V192 F194F137-F179 HydrophobicContact CB-CE2 4.14Å; F137-F179 HydrophobicContact CB-CZ 4.2Å; F137-F179 AromaticContact CD1-CE2 3.7Å; F137-F179 HydrophobicContact CD1-CE2 3.7Å; F137-F179 AromaticContact CD1-CZ 3.79Å; F137-F179 HydrophobicContact CD1-CZ 3.79Å; F137-F179 AromaticContact CD2-CE2 3.8Å; F137-F179 HydrophobicContact CD2-CE2 3.8Å; F137-F179 AromaticContact CE1-CE2 3.93Å; F137-F179 HydrophobicContact CE1-CE2 3.93Å; F137-F179 HydrophobicContact CE1-CZ 4.26Å; F137-F179 HydrophobicContact CE2-CE2 4.04Å; F137-F179 AromaticContact CG-CE2 3.63Å; F137-F179 HydrophobicContact CG-CE2 3.63Å; F137-F179 AromaticContact CG-CZ 3.98Å; F137-F179 HydrophobicContact CG-CZ 3.98Å; F137-F179 HydrophobicContact CZ-CE2 4.11Å; W163-F179 AromaticContact CE3-CE1 3.97Å; W163-F179 HydrophobicContact CE3-CE1 3.97Å; W163-F179 HydrophobicContact CE3-CZ 4.39Å; W163-F179 HydrophobicContact CH2-CE1 4Å; W163-F179 AromaticContact CH2-CZ 3.73Å; W163-F179 HydrophobicContact CH2-CZ 3.73Å; W163-F179 HydrophobicContact CZ2-CZ 4.44Å; W163-F179 AromaticContact CZ3-CE1 3.45Å; W163-F179 HydrophobicContact CZ3-CE1 3.45Å; W163-F179 VanDerWaalsContact CZ3-CE1 3.45Å; W163-F179 AromaticContact CZ3-CZ 3.69Å; W163-F179 HydrophobicContact CZ3-CZ 3.69Å; I165-F179 HydrophobicContact CD1-CE1 3.69Å; I165-F179 HydrophobicContact CD1-CE2 4.08Å; I165-F179 HydrophobicContact CD1-CZ 3.4Å; I165-F179 VanDerWaalsContact CD1-CZ 3.4Å; T175-F179 HydrophobicContact CG2-CD2 3.99Å; T175-F179 HydrophobicContact CG2-CE2 3.97Å; T175-F179 VanDerWaalsContact O-CD2 3.32Å; T175-F179 WeakPolarHBondContact O-CD2 3.49Å; T175-F179 PolarHBondContact O-N 2.65Å; N177-F179 VanDerWaalsContact C-N 3.35Å; N177-F179 PolarHBondContact O-N 3.32Å; F179-H182 CarbonylContact O-C 3.51Å; F179-H182 PolarHBondContact O-N 2.7Å; F179-K183 PolarHBondContact O-N 2.84Å; F179-K183 VanDerWaalsContact O-N 3.15Å; F179-Y184 HydrophobicContact CB-CD1 4.31Å; F179-Y184 HydrophobicContact CB-CE1 4.37Å; F179-Y184 HydrophobicContact CD1-CD1 4.12Å; F179-Y184 PolarHBondContact O-N 2.91Å; F179-F185 HydrophobicContact CD1-CD2 4.12Å; F179-F185 AromaticContact CD1-CE2 3.86Å; F179-F185 HydrophobicContact CD1-CE2 3.86Å; F179-F185 HydrophobicContact CD2-CE2 4.12Å; F179-F185 HydrophobicContact CE1-CD2 4.02Å; F179-F185 AromaticContact CE1-CE2 3.86Å; F179-F185 HydrophobicContact CE1-CE2 3.86Å; F179-F185 HydrophobicContact CE2-CE2 4.12Å; F179-F185 HydrophobicContact CG-CE2 4.01Å; F179-F185 HydrophobicContact CZ-CD2 4.48Å; F179-F185 AromaticContact CZ-CE2 3.98Å; F179-F185 HydrophobicContact CZ-CE2 3.98Å; F179-V192 HydrophobicContact CD1-CG1 4.13Å; F179-V192 HydrophobicContact CE1-CG1 4.08Å; F179-F194 HydrophobicContact CB-CZ 3.82Å; F179-F194 AromaticContact CD1-CZ 3.87Å; F179-F194 HydrophobicContact CD1-CZ 3.87Å; F179-F194 HydrophobicContact CD2-CE1 4.12Å; F179-F194 AromaticContact CD2-CZ 3.98Å; F179-F194 HydrophobicContact CD2-CZ 3.98Å; F179-F194 HydrophobicContact CE1-CZ 4.4Å; F179-F194 HydrophobicContact CE2-CE1 4.33Å; F179-F194 HydrophobicContact CG-CE1 4.22Å; F179-F194 AromaticContact CG-CZ 3.63Å; F179-F194 HydrophobicContact CG-CZ 3.63Å
180S98.6Very high97.6Very high60 Ų6065.7 Ų65.742%0.4233%0.33SS..Hα-helixtrans-66.4-43.3178.6-62.40000112K176 N177 H182 K183K176-S180 WeakPolarHBondContact O-CB 3.22Å; K176-S180 PolarHBondContact O-N 3.33Å; K176-S180 PolarHBondContact O-OG 3.41Å; N177-S180 PolarHBondContact O-N 3Å; N177-S180 VanDerWaalsContact O-N 3.09Å; S180-H182 VanDerWaalsContact C-N 3.26Å; S180-H182 PolarHBondContact O-N 3.38Å; S180-K183 PolarHBondContact O-N 2.81Å; S180-K183 VanDerWaalsContact O-N 3.09Å
181E98.6Very high98Very high141 Ų14162 Ų6266%0.65932%0.319SS*.Hα-helixtrans-58.1-38.5175.3-73.6168.3-172.500111.8N177 K183N177-E181 WeakPolarHBondContact O-CB 3.44Å; N177-E181 WeakPolarHBondContact O-CG 3.49Å; N177-E181 PolarHBondContact O-N 3.5Å; E181-K183 VanDerWaalsContact C-N 3.32Å; E181-K183 PolarHBondContact O-N 2.82Å
182H98.7Very high98.3Very high79 Ų7962.5 Ų62.537%0.36632%0.322SS..THydrogen-bonded Turntrans-92.114.7179.2-65.278000113.5F178 F179 S180 Y184 F185F178-H182 AromaticContact CD2-CE1 3.61Å; F178-H182 AromaticContact CD2-ND1 3.8Å; F178-H182 AromaticContact CE2-CE1 3.22Å; F178-H182 WeakPolarHBondContact CE2-CE1 3.41Å; F178-H182 AromaticContact CE2-ND1 3.73Å; F178-H182 AromaticContact CE2-NE2 3.95Å; F178-H182 AromaticContact CZ-CE1 3.67Å; F178-H182 AromaticContact CZ-ND1 3.98Å; F178-H182 PolarHBondContact O-N 3.1Å; F178-H182 VanDerWaalsContact O-N 3.13Å; F178-H182 PolarHBondContact O-ND1 3.28Å; F179-H182 CarbonylContact O-C 3.51Å; F179-H182 PolarHBondContact O-N 2.7Å; S180-H182 VanDerWaalsContact C-N 3.26Å; S180-H182 PolarHBondContact O-N 3.38Å; H182-Y184 PolarHBondContact O-N 2.76Å; H182-Y184 VanDerWaalsContact O-N 3.15Å; H182-F185 HydrophobicContact CB-CD1 3.75Å; H182-F185 HydrophobicContact CB-CE1 3.3Å; H182-F185 HydrophobicContact CB-CE2 4.39Å; H182-F185 HydrophobicContact CB-CG 4.44Å; H182-F185 HydrophobicContact CB-CZ 3.65Å; H182-F185 AromaticContact CD2-CE1 3.78Å; H182-F185 AromaticContact CG-CE1 3.54Å; H182-F185 AromaticContact CG-CZ 3.93Å; H182-F185 PolarHBondContact O-N 2.76Å
183K98.6Very high98.4Very high172 Ų17263.3 Ų63.375%0.74833%0.326SS*.G310 helixtrans49.143.5179.4-56.5176.7-176.4173.80112.4F179 S180 E181 F185 G186F179-K183 PolarHBondContact O-N 2.84Å; F179-K183 VanDerWaalsContact O-N 3.15Å; S180-K183 PolarHBondContact O-N 2.81Å; S180-K183 VanDerWaalsContact O-N 3.09Å; E181-K183 VanDerWaalsContact C-N 3.32Å; E181-K183 PolarHBondContact O-N 2.82Å; K183-F185 PolarHBondContact O-N 3.23Å; K183-F185 VanDerWaalsContact O-N 3.08Å; K183-G186 PolarHBondContact O-N 2.94Å
184Y98.6Very high98.4Very high47 Ų4759.2 Ų59.218%0.18431%0.306CS..G310 helixtrans55.525.7-179.9-61.8-100.8000113.6F179 H182 G186 L187 K189 V192 F194F179-Y184 HydrophobicContact CB-CD1 4.31Å; F179-Y184 HydrophobicContact CB-CE1 4.37Å; F179-Y184 HydrophobicContact CD1-CD1 4.12Å; F179-Y184 PolarHBondContact O-N 2.91Å; H182-Y184 PolarHBondContact O-N 2.76Å; H182-Y184 VanDerWaalsContact O-N 3.15Å; Y184-G186 PolarHBondContact O-N 3.06Å; Y184-G186 VanDerWaalsContact O-N 3.13Å; Y184-L187 WeakPolarHBondContact CB-O 3.5Å; Y184-L187 WeakPolarHBondContact O-CB 3.32Å; Y184-L187 PolarHBondContact O-N 3.49Å; Y184-K189 HydrophobicContact CD1-CB 4.1Å; Y184-K189 HydrophobicContact CD2-CB 3.72Å; Y184-K189 HydrophobicContact CE1-CB 3.9Å; Y184-K189 HydrophobicContact CE2-CB 3.55Å; Y184-K189 HydrophobicContact CG-CB 4.02Å; Y184-V192 HydrophobicContact CD1-CB 3.85Å; Y184-V192 HydrophobicContact CD1-CG1 4.19Å; Y184-V192 HydrophobicContact CD1-CG2 3.95Å; Y184-V192 HydrophobicContact CE1-CB 4.19Å; Y184-V192 HydrophobicContact CE1-CG1 4.45Å; Y184-F194 HydrophobicContact CE1-CE2 4.08Å
185F98.6Very high98.5Very high21 Ų2157.3 Ų57.39%0.09229%0.293CS..G310 helixtrans5430.2-178.3-48.8-77000113.2F137 Q138 A141 L145 F178 F179 H182 K183F137-F185 HydrophobicContact CB-CE2 4.09Å; F137-F185 HydrophobicContact CB-CZ 4.25Å; Q138-F185 HydrophobicContact CB-CD1 3.7Å; Q138-F185 HydrophobicContact CB-CE1 3.82Å; Q138-F185 HydrophobicContact CB-CG 4.38Å; Q138-F185 HydrophobicContact CG-CD1 3.73Å; Q138-F185 HydrophobicContact CG-CE1 4.29Å; Q138-F185 HydrophobicContact CG-CG 4.41Å; A141-F185 HydrophobicContact CB-CB 3.57Å; A141-F185 HydrophobicContact CB-CD2 3.96Å; A141-F185 HydrophobicContact CB-CG 4.01Å; L145-F185 VanDerWaalsContact CD1-O 3.26Å; L145-F185 WeakPolarHBondContact CD1-O 3.12Å; F178-F185 AromaticContact CD1-CZ 3.91Å; F178-F185 HydrophobicContact CD1-CZ 3.91Å; F178-F185 HydrophobicContact CE1-CE1 4.27Å; F178-F185 HydrophobicContact CE1-CE2 4.49Å; F178-F185 AromaticContact CE1-CZ 3.53Å; F178-F185 HydrophobicContact CE1-CZ 3.53Å; F178-F185 HydrophobicContact CZ-CZ 4.34Å; F179-F185 HydrophobicContact CD1-CD2 4.12Å; F179-F185 AromaticContact CD1-CE2 3.86Å; F179-F185 HydrophobicContact CD1-CE2 3.86Å; F179-F185 HydrophobicContact CD2-CE2 4.12Å; F179-F185 HydrophobicContact CE1-CD2 4.02Å; F179-F185 AromaticContact CE1-CE2 3.86Å; F179-F185 HydrophobicContact CE1-CE2 3.86Å; F179-F185 HydrophobicContact CE2-CE2 4.12Å; F179-F185 HydrophobicContact CG-CE2 4.01Å; F179-F185 HydrophobicContact CZ-CD2 4.48Å; F179-F185 AromaticContact CZ-CE2 3.98Å; F179-F185 HydrophobicContact CZ-CE2 3.98Å; H182-F185 HydrophobicContact CB-CD1 3.75Å; H182-F185 HydrophobicContact CB-CE1 3.3Å; H182-F185 HydrophobicContact CB-CE2 4.39Å; H182-F185 HydrophobicContact CB-CG 4.44Å; H182-F185 HydrophobicContact CB-CZ 3.65Å; H182-F185 AromaticContact CD2-CE1 3.78Å; H182-F185 AromaticContact CG-CE1 3.54Å; H182-F185 AromaticContact CG-CZ 3.93Å; H182-F185 PolarHBondContact O-N 2.76Å; K183-F185 PolarHBondContact O-N 3.23Å; K183-F185 VanDerWaalsContact O-N 3.08Å
186G98.1Very high98.5Very high59 Ų5960.7 Ų60.761%0.60831%0.309SS*.G310 helixtrans87.1-4-178.300000115.3K183 Y184K183-G186 PolarHBondContact O-N 2.94Å; Y184-G186 PolarHBondContact O-N 3.06Å; Y184-G186 VanDerWaalsContact O-N 3.13Å
187L98.4Very high98.3Very high17 Ų1757.5 Ų57.59%0.08930%0.295CS..SBendtrans-72.9154.5167.9-66.9167000110.6A141 I144 L145 W163 Y184 K189 V192A141-L187 HydrophobicContact CB-CD1 3.94Å; I144-L187 HydrophobicContact CB-CD2 4.34Å; I144-L187 HydrophobicContact CD1-CD1 4.4Å; I144-L187 HydrophobicContact CG2-CD2 3.84Å; L145-L187 HydrophobicContact CD2-CD2 3.64Å; L145-L187 HydrophobicContact CD2-CG 4.25Å; L145-L187 HydrophobicContact CG-CD2 3.75Å; L145-L187 HydrophobicContact CG-CG 4.15Å; W163-L187 HydrophobicContact CE3-CD1 3.57Å; W163-L187 HydrophobicContact CZ3-CD1 3.88Å; Y184-L187 WeakPolarHBondContact CB-O 3.5Å; Y184-L187 WeakPolarHBondContact O-CB 3.32Å; Y184-L187 PolarHBondContact O-N 3.49Å; L187-K189 PolarHBondContact O-N 3.41Å; L187-V192 HydrophobicContact CB-CG2 4.14Å; L187-V192 HydrophobicContact CD1-CG2 4.22Å
188D97.9Very high98.1Very high87 Ų8755 Ų5547%0.46529%0.289SS..  trans-70.4125.8169.7-178.1-6.9000109.7D190 N191D188-D190 PolarHBondContact O-N 3.25Å; D188-D190 VanDerWaalsContact O-N 3.16Å; D188-D190 PolarHBondContact OD1-N 2.86Å; D188-N191 PolarHBondContact O-N 2.76Å; D188-N191 PolarHBondContact OD2-ND2 3.04Å
189K98.1Very high97.8Very high125 Ų12556 Ų5654%0.54330%0.295SS..G310 helixtrans-55.1-33.9-179.576.4179.2-173.3175.40112.2Y184 L187 N191 V192Y184-K189 HydrophobicContact CD1-CB 4.1Å; Y184-K189 HydrophobicContact CD2-CB 3.72Å; Y184-K189 HydrophobicContact CE1-CB 3.9Å; Y184-K189 HydrophobicContact CE2-CB 3.55Å; Y184-K189 HydrophobicContact CG-CB 4.02Å; L187-K189 PolarHBondContact O-N 3.41Å; K189-N191 PolarHBondContact O-N 3.33Å; K189-V192 PolarHBondContact O-N 3.15Å; K189-V192 VanDerWaalsContact O-N 3.16Å
190D97.9Very high97.6Very high103 Ų10356.9 Ų56.955%0.55130%0.299SS*.G310 helixtrans-74.4-8-176.5-67.3-17.4000111.7D188 R243D188-D190 PolarHBondContact O-N 3.25Å; D188-D190 VanDerWaalsContact O-N 3.16Å; D188-D190 PolarHBondContact OD1-N 2.86Å; D190-R243 PolarHBondContact O-NH2 3.39Å
191N98.4Very high97.5Very high34 Ų3454.2 Ų54.218%0.18228%0.28CS..G310 helixtrans-107.96.5175.7-61.8-46.8000113.1C160 W163 D188 K189 R243C160-N191 PolarHBondContact SG-OD1 2.89Å; C160-N191 VanDerWaalsContact SG-OD1 3.35Å; W163-N191 PolarHBondContact N-O 2.93Å; D188-N191 PolarHBondContact O-N 2.76Å; D188-N191 PolarHBondContact OD2-ND2 3.04Å; K189-N191 PolarHBondContact O-N 3.33Å; N191-R243 PolarHBondContact OD1-NH1 3.33Å
192V98.8Very high97.4Very high10 Ų1047.5 Ų47.56%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-114.2108172.2-175.50000109.3W163 I165 F179 Y184 L187 K189 F194W163-V192 HydrophobicContact CE3-CG2 4.44Å; W163-V192 CarbonylContact O-C 3.49Å; W163-V192 WeakPolarHBondContact O-CA 3.39Å; I165-V192 HydrophobicContact CD1-CG1 3.73Å; F179-V192 HydrophobicContact CD1-CG1 4.13Å; F179-V192 HydrophobicContact CE1-CG1 4.08Å; Y184-V192 HydrophobicContact CD1-CB 3.85Å; Y184-V192 HydrophobicContact CD1-CG1 4.19Å; Y184-V192 HydrophobicContact CD1-CG2 3.95Å; Y184-V192 HydrophobicContact CE1-CB 4.19Å; Y184-V192 HydrophobicContact CE1-CG1 4.45Å; L187-V192 HydrophobicContact CB-CG2 4.14Å; L187-V192 HydrophobicContact CD1-CG2 4.22Å; K189-V192 PolarHBondContact O-N 3.15Å; K189-V192 VanDerWaalsContact O-N 3.16Å; V192-F194 HydrophobicContact CG1-CE1 4.29Å; V192-F194 HydrophobicContact CG1-CE2 3.91Å; V192-F194 HydrophobicContact CG1-CZ 3.69Å
193I98.8Very high97.3Very high29 Ų2943.7 Ų43.715%0.14923%0.231CC..EExtended strand (participates in β ladder)trans-110.3112.6-171.7-57.884.5000109.3P162 W163 Y164 I165 I236P162-I193 HydrophobicContact CB-CD1 4.35Å; W163-I193 PolarHBondContact O-N 3.37Å; Y164-I193 CarbonylContact C-O 3.6Å; Y164-I193 WeakPolarHBondContact CA-O 3.19Å; Y164-I193 HydrophobicContact CD1-CB 3.67Å; Y164-I193 HydrophobicContact CD1-CD1 4.19Å; Y164-I193 HydrophobicContact CD1-CG1 4.17Å; Y164-I193 HydrophobicContact CD1-CG2 3.95Å; Y164-I193 HydrophobicContact CE1-CB 3.94Å; Y164-I193 HydrophobicContact CE1-CD1 3.87Å; Y164-I193 HydrophobicContact CE1-CG1 3.92Å; Y164-I193 HydrophobicContact CE1-CG2 4.18Å; I165-I193 PolarHBondContact N-O 2.88Å; I193-I236 HydrophobicContact CG2-CD1 4.01Å
194F98.8Very high97.2Very high32 Ų3237.3 Ų37.314%0.1421%0.206CC..EExtended strand (participates in β ladder)trans-90.1135.2173.6-57.6-80.3000111I165 M172 T175 K176 F179 Y184 V192I165-F194 HydrophobicContact CB-CD1 3.79Å; I165-F194 HydrophobicContact CB-CE1 4.03Å; I165-F194 HydrophobicContact CD1-CD1 4.22Å; I165-F194 HydrophobicContact CD1-CE1 3.57Å; I165-F194 HydrophobicContact CD1-CZ 4.19Å; I165-F194 HydrophobicContact CG1-CE1 4.34Å; I165-F194 HydrophobicContact CG2-CD1 4Å; I165-F194 HydrophobicContact CG2-CE1 4.15Å; M172-F194 HydrophobicContact CE-CB 4.45Å; M172-F194 HydrophobicContact SD-CB 4.05Å; T175-F194 HydrophobicContact CG2-CD1 4.11Å; T175-F194 HydrophobicContact CG2-CE1 3.66Å; K176-F194 HydrophobicContact CG-CB 4.33Å; K176-F194 HydrophobicContact CG-CD1 4.41Å; K176-F194 HydrophobicContact CG-CD2 3.81Å; K176-F194 HydrophobicContact CG-CE2 4.2Å; K176-F194 HydrophobicContact CG-CG 3.92Å; F179-F194 HydrophobicContact CB-CZ 3.82Å; F179-F194 AromaticContact CD1-CZ 3.87Å; F179-F194 HydrophobicContact CD1-CZ 3.87Å; F179-F194 HydrophobicContact CD2-CE1 4.12Å; F179-F194 AromaticContact CD2-CZ 3.98Å; F179-F194 HydrophobicContact CD2-CZ 3.98Å; F179-F194 HydrophobicContact CE1-CZ 4.4Å; F179-F194 HydrophobicContact CE2-CE1 4.33Å; F179-F194 HydrophobicContact CG-CE1 4.22Å; F179-F194 AromaticContact CG-CZ 3.63Å; F179-F194 HydrophobicContact CG-CZ 3.63Å; Y184-F194 HydrophobicContact CE1-CE2 4.08Å; V192-F194 HydrophobicContact CG1-CE1 4.29Å; V192-F194 HydrophobicContact CG1-CE2 3.91Å; V192-F194 HydrophobicContact CG1-CZ 3.69Å
195F98.6Very high97.1Very high1 Ų139.4 Ų39.40%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-145.1152.4173.771.9-77.5000110.3L107 I165 M166 T167 L227 A230 L231 I236L107-F195 HydrophobicContact CD1-CE1 4.39Å; L107-F195 HydrophobicContact CD1-CZ 4.05Å; L107-F195 HydrophobicContact CD2-CZ 4.39Å; L107-F195 HydrophobicContact CG-CE1 4.44Å; L107-F195 HydrophobicContact CG-CZ 4.32Å; I165-F195 PolarHBondContact O-N 3.23Å; I165-F195 VanDerWaalsContact O-N 3.09Å; M166-F195 WeakPolarHBondContact CA-O 3.22Å; M166-F195 HydrophobicContact CB-CE1 3.8Å; M166-F195 HydrophobicContact CB-CE2 3.88Å; M166-F195 HydrophobicContact CB-CZ 3.44Å; M166-F195 VanDerWaalsContact CB-CZ 3.44Å; M166-F195 HydrophobicContact CG-CD2 4.27Å; M166-F195 HydrophobicContact CG-CE1 4.45Å; M166-F195 HydrophobicContact CG-CE2 3.64Å; M166-F195 HydrophobicContact CG-CZ 3.75Å; M166-F195 HydrophobicContact SD-CE2 3.99Å; M166-F195 HydrophobicContact SD-CZ 4.2Å; T167-F195 PolarHBondContact N-O 3.14Å; T167-F195 PolarHBondContact OG1-O 3.01Å; F195-L227 HydrophobicContact CE2-CD1 4.03Å; F195-L227 HydrophobicContact CZ-CD1 3.78Å; F195-A230 HydrophobicContact CD2-CB 4Å; F195-A230 HydrophobicContact CE2-CB 3.96Å; F195-L231 HydrophobicContact CE2-CD2 4.13Å; F195-L231 HydrophobicContact CZ-CD2 4.04Å; F195-I236 HydrophobicContact CB-CD1 3.67Å; F195-I236 HydrophobicContact CB-CG1 4.03Å; F195-I236 HydrophobicContact CD1-CD1 4.21Å; F195-I236 HydrophobicContact CD1-CG1 4.31Å; F195-I236 HydrophobicContact CD2-CG1 4.06Å; F195-I236 HydrophobicContact CG-CD1 3.93Å; F195-I236 HydrophobicContact CG-CG1 3.88Å
196Q97.4Very high96.9Very high70 Ų7044.9 Ų44.933%0.32724%0.244SC..EExtended strand (participates in β ladder)trans-105.1132-170.6-155.7-179.6-80.700111.7G169 M172 Q234G169-Q196 VanDerWaalsContact CA-CD 3.45Å; M172-Q196 HydrophobicContact CE-CB 3.62Å; M172-Q196 HydrophobicContact CE-CG 4.18Å; Q196-Q234 PolarHBondContact O-NE2 2.52Å
197Q96.2Very high96.8Very high9 Ų942.4 Ų42.44%0.04222%0.219CC..  trans-72.4167.5167.579.9-156.2-108.400112.1G111 M166 T167 P221 G223 A230G111-Q197 VanDerWaalsContact CA-NE2 3.25Å; M166-Q197 HydrophobicContact CE-CB 4.39Å; M166-Q197 HydrophobicContact CG-CB 4.08Å; M166-Q197 HydrophobicContact SD-CB 3.95Å; T167-Q197 WeakPolarHBondContact O-CG 3.46Å; T167-Q197 PolarHBondContact O-N 2.82Å; T167-Q197 PolarHBondContact O-NE2 3.17Å; Q197-P221 HydrophobicContact CG-CB 4.36Å; Q197-G223 PolarHBondContact OE1-O 3.46Å; Q197-A230 HydrophobicContact CB-CB 4.49Å
198G93.4Very high96.8Very high30 Ų3045.6 Ų45.631%0.30923%0.232SC..  trans-69.3177.317500000112.7D222G198-D222 VanDerWaalsContact CA-OD2 3.29Å; G198-D222 WeakPolarHBondContact CA-OD2 3.24Å; G198-D222 PolarHBondContact N-OD1 3.15Å; G198-D222 PolarHBondContact N-OD2 3.01Å; G198-D222 PolarHBondContact O-N 3.06Å
199M92.4Very high96.8Very high51 Ų5141.6 Ų41.625%0.25121%0.21SC..EExtended strand (participates in β ladder)trans-135.2141173.4-59.8-73.9-67.600107.7M219 A220 P221M199-M219 HydrophobicContact CB-CE 3.79Å; M199-M219 HydrophobicContact CE-CB 3.97Å; M199-A220 CarbonylContact C-O 3.5Å; M199-A220 VanDerWaalsContact CA-O 3.26Å; M199-A220 WeakPolarHBondContact CA-O 3.47Å; M199-P221 HydrophobicContact CE-CG 4.42Å; M199-P221 VanDerWaalsContact SD-CA 3.59Å; M199-P221 HydrophobicContact SD-CB 4.21Å; M199-P221 HydrophobicContact SD-CG 4.01Å
200L94.4Very high96.8Very high18 Ų1836.4 Ų36.49%0.09419%0.188CC..EExtended strand (participates in β ladder)trans-115.4144.5172.3-75172.5000110.4I47 F50 A220 D222 M379I47-L200 HydrophobicContact CG1-CD2 4.31Å; F50-L200 HydrophobicContact CD2-CD2 4.19Å; F50-L200 HydrophobicContact CE2-CD2 4.4Å; L200-A220 PolarHBondContact N-O 3.4Å; L200-A220 PolarHBondContact O-N 3.02Å; L200-D222 HydrophobicContact CD1-CB 3.84Å; L200-D222 HydrophobicContact CG-CB 3.84Å; L200-M379 HydrophobicContact CD1-CB 4.14Å
201P96Very high96.8Very high3 Ų331.8 Ų31.82%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-69.5144.8172.528.2-32.3000110.9I47 I209 S218 M219I47-P201 HydrophobicContact CD1-CG 3.99Å; I47-P201 HydrophobicContact CG2-CG 3.95Å; P201-I209 HydrophobicContact CB-CB 4.38Å; P201-I209 HydrophobicContact CB-CD1 4.24Å; P201-I209 HydrophobicContact CB-CG1 3.96Å; P201-I209 HydrophobicContact CB-CG2 3.66Å; P201-I209 HydrophobicContact CG-CD1 3.87Å; P201-I209 HydrophobicContact CG-CG1 3.87Å; P201-I209 HydrophobicContact CG-CG2 4.46Å; P201-S218 WeakPolarHBondContact CA-O 3.27Å; P201-M219 VanDerWaalsContact CA-SD 3.57Å; P201-M219 HydrophobicContact CB-SD 3.79Å
202A96.6Very high96.6Very high0 Ų033.1 Ų33.10%017%0.169CC..  trans-69.4142.2163.200000109.5I210 S218 I359 K378A202-I210 HydrophobicContact CB-CD1 4.43Å; A202-I210 PolarHBondContact O-N 3.17Å; A202-S218 PolarHBondContact N-O 3.21Å; A202-I359 HydrophobicContact CB-CD1 3.87Å; A202-I359 HydrophobicContact CB-CG1 4.31Å; A202-I359 HydrophobicContact CB-CG2 4.05Å; A202-K378 HydrophobicContact CB-CG 4.49Å
203M97.6Very high96.5Very high0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-127.4143.6-175.9-58.5-176.376.400110.5I47 F51 G207 K208 I209 G376 I377 M379I47-M203 HydrophobicContact CG2-CE 4.07Å; I47-M203 HydrophobicContact CG2-SD 3.64Å; F51-M203 HydrophobicContact CB-CE 3.94Å; F51-M203 HydrophobicContact CB-SD 3.76Å; F51-M203 HydrophobicContact CD2-CB 3.86Å; F51-M203 HydrophobicContact CD2-CE 3.97Å; F51-M203 HydrophobicContact CD2-CG 4.37Å; F51-M203 HydrophobicContact CD2-SD 3.66Å; F51-M203 HydrophobicContact CE2-CB 3.99Å; F51-M203 HydrophobicContact CG-CE 3.98Å; F51-M203 HydrophobicContact CG-SD 4.02Å; M203-G207 WeakPolarHBondContact CE-O 3.29Å; M203-K208 CarbonylContact C-O 3.55Å; M203-K208 VanDerWaalsContact CA-O 3.24Å; M203-K208 WeakPolarHBondContact CA-O 3.28Å; M203-I209 HydrophobicContact CE-CG1 4.31Å; M203-I209 HydrophobicContact CG-CG1 4.33Å; M203-G376 CarbonylContact O-C 3.53Å; M203-G376 WeakPolarHBondContact O-CA 3.29Å; M203-I377 HydrophobicContact CB-CG1 4.37Å; M203-I377 PolarHBondContact N-O 2.88Å; M203-I377 VanDerWaalsContact N-O 3.13Å; M203-I377 PolarHBondContact O-N 3.47Å; M203-M379 HydrophobicContact CG-CE 4.49Å; M203-M379 HydrophobicContact SD-CE 3.63Å
204D96.4Very high96.3Very high38 Ų3835.7 Ų35.720%0.20318%0.184CC..EExtended strand (participates in β ladder)trans-72.6173.9170.780.31.2000110.9F51 N206 G207 K208 I210F51-D204 VanDerWaalsContact CE2-O 3.27Å; F51-D204 WeakPolarHBondContact CE2-O 3.39Å; F51-D204 WeakPolarHBondContact CZ-O 3.48Å; D204-N206 PolarHBondContact O-N 3.07Å; D204-N206 VanDerWaalsContact O-N 3.15Å; D204-N206 VanDerWaalsContact OD1-C 3.3Å; D204-N206 VanDerWaalsContact OD1-CA 3.3Å; D204-N206 WeakPolarHBondContact OD1-CA 3.48Å; D204-N206 WeakPolarHBondContact OD1-CB 3.32Å; D204-N206 PolarHBondContact OD1-N 3Å; D204-G207 PolarHBondContact O-N 3.15Å; D204-G207 VanDerWaalsContact O-N 3.1Å; D204-G207 PolarHBondContact OD1-N 3.47Å; D204-K208 PolarHBondContact N-O 3.12Å; D204-K208 WeakPolarHBondContact OD1-CB 3.21Å; D204-K208 PolarHBondContact OD1-N 2.94Å; D204-I210 HydrophobicContact CB-CD1 4.35Å; D204-I210 HydrophobicContact CB-CG1 4.31Å
205Y95.7Very high96.1Very high90 Ų9034.6 Ų34.635%0.35318%0.182SC..THydrogen-bonded Turntrans-68-11.3-179.6-57.5-61.8000114.3Q356 P374 I377Y205-Q356 HydrophobicContact CE1-CG 4.44Å; Y205-P374 WeakPolarHBondContact CE2-O 3.46Å; Y205-P374 VanDerWaalsContact OH-C 3.26Å; Y205-P374 WeakPolarHBondContact OH-CB 3.44Å; Y205-P374 PolarHBondContact OH-O 2.78Å; Y205-I377 HydrophobicContact CD1-CG2 4.16Å; Y205-I377 HydrophobicContact CE1-CG2 3.91Å
206N95.3Very high95.9Very high136 Ų13639.2 Ų39.273%0.72720%0.202SC*.THydrogen-bonded Turntrans-962.6176.1-56.5-52.4000112.3D204D204-N206 PolarHBondContact O-N 3.07Å; D204-N206 VanDerWaalsContact O-N 3.15Å; D204-N206 VanDerWaalsContact OD1-C 3.3Å; D204-N206 VanDerWaalsContact OD1-CA 3.3Å; D204-N206 WeakPolarHBondContact OD1-CA 3.48Å; D204-N206 WeakPolarHBondContact OD1-CB 3.32Å; D204-N206 PolarHBondContact OD1-N 3Å
207G95.9Very high95.8Very high8 Ų836 Ų368%0.08219%0.186CC..SBendtrans78.922.1-17800000113.9Q17 F51 M203 D204Q17-G207 PolarHBondContact NE2-O 2.81Å; F51-G207 VanDerWaalsContact CE1-CA 3.41Å; F51-G207 VanDerWaalsContact CZ-N 3.27Å; M203-G207 WeakPolarHBondContact CE-O 3.29Å; D204-G207 PolarHBondContact O-N 3.15Å; D204-G207 VanDerWaalsContact O-N 3.1Å; D204-G207 PolarHBondContact OD1-N 3.47Å
208K97.7Very high95.7Very high84 Ų8436.1 Ų36.137%0.36519%0.188SC..PPolyproline II helixtrans-90134171.1-58.8-56.7-172.1-169.70110.8G16 M203 D204G16-K208 PolarHBondContact O-NZ 3.19Å; M203-K208 CarbonylContact C-O 3.55Å; M203-K208 VanDerWaalsContact CA-O 3.24Å; M203-K208 WeakPolarHBondContact CA-O 3.28Å; D204-K208 PolarHBondContact N-O 3.12Å; D204-K208 WeakPolarHBondContact OD1-CB 3.21Å; D204-K208 PolarHBondContact OD1-N 2.94Å
209I98.1Very high95.7Very high3 Ų336.2 Ų36.22%0.01518%0.181CC..BIsolated β-bridgetrans-65134.8172.5-69.1169000109.6Q17 H19 L20 F44 P201 M203 L217Q17-I209 HydrophobicContact CG-CD1 4.29Å; Q17-I209 VanDerWaalsContact OE1-N 3.07Å; H19-I209 PolarHBondContact NE2-O 2.78Å; L20-I209 HydrophobicContact CD1-CB 4.11Å; L20-I209 HydrophobicContact CD1-CD1 4.06Å; L20-I209 HydrophobicContact CD1-CG2 4.16Å; L20-I209 HydrophobicContact CD2-CB 3.95Å; L20-I209 HydrophobicContact CD2-CG2 3.8Å; F44-I209 HydrophobicContact CD1-CD1 3.71Å; F44-I209 HydrophobicContact CE1-CD1 3.88Å; P201-I209 HydrophobicContact CB-CB 4.38Å; P201-I209 HydrophobicContact CB-CD1 4.24Å; P201-I209 HydrophobicContact CB-CG1 3.96Å; P201-I209 HydrophobicContact CB-CG2 3.66Å; P201-I209 HydrophobicContact CG-CD1 3.87Å; P201-I209 HydrophobicContact CG-CG1 3.87Å; P201-I209 HydrophobicContact CG-CG2 4.46Å; M203-I209 HydrophobicContact CE-CG1 4.31Å; M203-I209 HydrophobicContact CG-CG1 4.33Å; I209-L217 HydrophobicContact CG2-CD2 3.9Å
210I98Very high95.6Very high15 Ų1534.1 Ų34.18%0.07717%0.172CC..PPolyproline II helixtrans-89131.1-178.3-63.7170000110.2A202 D204 S218 I359 F361A202-I210 HydrophobicContact CB-CD1 4.43Å; A202-I210 PolarHBondContact O-N 3.17Å; D204-I210 HydrophobicContact CB-CD1 4.35Å; D204-I210 HydrophobicContact CB-CG1 4.31Å; I210-S218 VanDerWaalsContact O-CB 3.28Å; I210-S218 WeakPolarHBondContact O-CB 3.43Å; I210-S218 PolarHBondContact O-N 3.22Å; I210-I359 HydrophobicContact CD1-CB 4.3Å; I210-I359 HydrophobicContact CD1-CD1 3.93Å; I210-I359 HydrophobicContact CD1-CG2 4.15Å; I210-I359 HydrophobicContact CG2-CG2 3.95Å; I210-F361 HydrophobicContact CG2-CB 3.5Å
211L97.6Very high95.5Very high7 Ų734.7 Ų34.74%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-85.3127.8168.9-73.5167.6000110L20 F23 K216 L217 F361 V362L20-L211 HydrophobicContact CD2-CD2 4.13Å; L20-L211 HydrophobicContact CD2-CG 3.99Å; F23-L211 HydrophobicContact CD2-CD1 4.3Å; F23-L211 HydrophobicContact CE2-CD1 4.37Å; L211-K216 CarbonylContact C-O 3.51Å; L211-K216 WeakPolarHBondContact CA-O 3.46Å; L211-L217 HydrophobicContact CD2-CD2 3.72Å; L211-F361 WeakPolarHBondContact O-CA 3.36Å; L211-F361 WeakPolarHBondContact O-CB 3.4Å; L211-V362 HydrophobicContact CB-CG1 3.52Å; L211-V362 HydrophobicContact CD1-CG1 4.38Å; L211-V362 PolarHBondContact O-N 3.08Å; L211-V362 VanDerWaalsContact O-N 3.08Å
212E95.1Very high95.3Very high61 Ų6135.5 Ų35.529%0.28518%0.181SC..EExtended strand (participates in β ladder)trans-73.2-40.2172.4-179.7-179.4-158.400110.8K216E212-K216 PolarHBondContact N-O 2.77Å; E212-K216 IonicContact OE1-NZ 3.98Å; E212-K216 WeakPolarHBondContact OE2-CD 3.12Å; E212-K216 WeakPolarHBondContact OE2-CE 3.22Å; E212-K216 IonicContact OE2-NZ 2.79Å; E212-K216 PolarHBondContact OE2-NZ 2.79Å
213S95.6Very high95.1Very high39 Ų3935.8 Ų35.827%0.27318%0.184SC..EExtended strand (participates in β ladder)trans-145.3174.1172.772.90000109.8G215 K216S213-G215 PolarHBondContact O-N 3.24Å; S213-K216 PolarHBondContact N-O 3.25Å; S213-K216 PolarHBondContact O-N 2.82Å; S213-K216 VanDerWaalsContact OG-CB 3.27Å; S213-K216 WeakPolarHBondContact OG-CB 3.44Å
214Q94.9Very high95Very high55 Ų5538.2 Ų38.226%0.25720%0.197SC..THydrogen-bonded Turntrans-51.6-35.3-174.3-69.5-170.4-36.700113.9F23 E26 L27 V362F23-Q214 HydrophobicContact CB-CB 3.75Å; F23-Q214 HydrophobicContact CB-CG 4.1Å; F23-Q214 HydrophobicContact CD1-CG 4Å; F23-Q214 HydrophobicContact CD2-CB 3.79Å; F23-Q214 HydrophobicContact CD2-CG 3.76Å; F23-Q214 HydrophobicContact CE1-CG 4.44Å; F23-Q214 HydrophobicContact CE2-CG 4.18Å; F23-Q214 HydrophobicContact CG-CB 3.78Å; F23-Q214 HydrophobicContact CG-CG 3.66Å; E26-Q214 PolarHBondContact OE2-NE2 2.87Å; L27-Q214 HydrophobicContact CD2-CB 3.82Å; Q214-V362 HydrophobicContact CG-CG2 4.02Å
215G94.4Very high94.9Very high9 Ų936.4 Ų36.49%0.09319%0.187CC..THydrogen-bonded Turntrans-11012.4-178.700000114.8L35 S213L35-G215 WeakPolarHBondContact CB-O 3.43Å; S213-G215 PolarHBondContact O-N 3.24Å
216K94.8Very high95Very high97 Ų9732.1 Ų32.142%0.42217%0.171SC..EExtended strand (participates in β ladder)trans-142.5131.4-168.6-166178.7176.3-151.70113.6L211 E212 S213L211-K216 CarbonylContact C-O 3.51Å; L211-K216 WeakPolarHBondContact CA-O 3.46Å; E212-K216 PolarHBondContact N-O 2.77Å; E212-K216 IonicContact OE1-NZ 3.98Å; E212-K216 WeakPolarHBondContact OE2-CD 3.12Å; E212-K216 WeakPolarHBondContact OE2-CE 3.22Å; E212-K216 IonicContact OE2-NZ 2.79Å; E212-K216 PolarHBondContact OE2-NZ 2.79Å; S213-K216 PolarHBondContact N-O 3.25Å; S213-K216 PolarHBondContact O-N 2.82Å; S213-K216 VanDerWaalsContact OG-CB 3.27Å; S213-K216 WeakPolarHBondContact OG-CB 3.44Å
217L95.6Very high95.1Very high2 Ų225.7 Ų25.71%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-78.5143.1177.2-56.7170000111.3L20 L35 D38 L39 M42 I209 L211 M219L20-L217 HydrophobicContact CD1-CD2 4.04Å; L20-L217 HydrophobicContact CD2-CD2 3.71Å; L20-L217 HydrophobicContact CG-CD2 4.35Å; L35-L217 HydrophobicContact CD1-CD2 4.41Å; L35-L217 HydrophobicContact CD1-CG 4.21Å; D38-L217 HydrophobicContact CB-CD1 4.07Å; L39-L217 HydrophobicContact CD2-CD1 3.84Å; L39-L217 HydrophobicContact CD2-CD2 4.15Å; L39-L217 HydrophobicContact CG-CD1 4.46Å; M42-L217 HydrophobicContact CE-CD1 3.24Å; M42-L217 HydrophobicContact SD-CD1 3.83Å; I209-L217 HydrophobicContact CG2-CD2 3.9Å; L211-L217 HydrophobicContact CD2-CD2 3.72Å; L217-M219 HydrophobicContact CB-CG 4.01Å; L217-M219 HydrophobicContact CB-SD 3.96Å; L217-M219 PolarHBondContact O-N 3.17Å; L217-M219 VanDerWaalsContact O-N 3.13Å
218S95.2Very high95.2Very high12 Ų1225.3 Ų25.38%0.08413%0.133CC..  trans-78.695.6172-168.20000109.9P201 A202 I210 I359P201-S218 WeakPolarHBondContact CA-O 3.27Å; A202-S218 PolarHBondContact N-O 3.21Å; I210-S218 VanDerWaalsContact O-CB 3.28Å; I210-S218 WeakPolarHBondContact O-CB 3.43Å; I210-S218 PolarHBondContact O-N 3.22Å; S218-I359 VanDerWaalsContact OG-CG2 3.25Å; S218-I359 WeakPolarHBondContact OG-CG2 3.47Å
219M93.1Very high95.1Very high32 Ų3225.6 Ų25.616%0.15813%0.131CC..EExtended strand (participates in β ladder)trans-104.9141.8-175.4-59.6-61.6-7300112.6M42 R170 M199 P201 L217M42-M219 HydrophobicContact CE-CE 3.46Å; M42-M219 VanDerWaalsContact CE-CE 3.46Å; M42-M219 HydrophobicContact CE-SD 3.62Å; M42-M219 HydrophobicContact SD-CE 4.48Å; R170-M219 PolarHBondContact NH2-O 2.92Å; M199-M219 HydrophobicContact CB-CE 3.79Å; M199-M219 HydrophobicContact CE-CB 3.97Å; P201-M219 VanDerWaalsContact CA-SD 3.57Å; P201-M219 HydrophobicContact CB-SD 3.79Å; L217-M219 HydrophobicContact CB-CG 4.01Å; L217-M219 HydrophobicContact CB-SD 3.96Å; L217-M219 PolarHBondContact O-N 3.17Å; L217-M219 VanDerWaalsContact O-N 3.13Å
220A89.9Confident95.1Very high8 Ų825.7 Ų25.77%0.06613%0.133CC..EExtended strand (participates in β ladder)trans-131155.3171.400000111.1M199 L200 K378M199-A220 CarbonylContact C-O 3.5Å; M199-A220 VanDerWaalsContact CA-O 3.26Å; M199-A220 WeakPolarHBondContact CA-O 3.47Å; L200-A220 PolarHBondContact N-O 3.4Å; L200-A220 PolarHBondContact O-N 3.02Å; A220-K378 HydrophobicContact CB-CD 3.8Å
221P91.8Very high95.1Very high30 Ų3025 Ų2520%0.19513%0.129CC..EExtended strand (participates in β ladder)trans-55.2146.5169.9-21.633.1000111Q197 M199 G223Q197-P221 HydrophobicContact CG-CB 4.36Å; M199-P221 HydrophobicContact CE-CG 4.42Å; M199-P221 VanDerWaalsContact SD-CA 3.59Å; M199-P221 HydrophobicContact SD-CB 4.21Å; M199-P221 HydrophobicContact SD-CG 4.01Å; P221-G223 PolarHBondContact O-N 3.15Å; P221-G223 VanDerWaalsContact O-N 3.08Å
222D92.3Very high95Very high19 Ų1926.4 Ų26.410%0.10215%0.145CC..  trans-80.322.3-174.959.2-8.1000114.3G198 L200 G226 K381G198-D222 VanDerWaalsContact CA-OD2 3.29Å; G198-D222 WeakPolarHBondContact CA-OD2 3.24Å; G198-D222 PolarHBondContact N-OD1 3.15Å; G198-D222 PolarHBondContact N-OD2 3.01Å; G198-D222 PolarHBondContact O-N 3.06Å; L200-D222 HydrophobicContact CD1-CB 3.84Å; L200-D222 HydrophobicContact CG-CB 3.84Å; D222-G226 WeakPolarHBondContact OD1-CA 3.46Å; D222-K381 PolarHBondContact O-N 2.89Å
223G92.4Very high94.9Very high6 Ų629.4 Ų29.46%0.06216%0.163CC..  trans83.8165.8-175.200000113.1Q197 P221 G225 G226 K381Q197-G223 PolarHBondContact OE1-O 3.46Å; P221-G223 PolarHBondContact O-N 3.15Å; P221-G223 VanDerWaalsContact O-N 3.08Å; G223-G225 PolarHBondContact O-N 3.47Å; G223-G226 PolarHBondContact O-N 3.33Å; G223-K381 CarbonylContact C-O 3.58Å; G223-K381 WeakPolarHBondContact CA-O 3.27Å
224N94.6Very high95Very high51 Ų5131.6 Ų31.627%0.27317%0.169SC..G310 helixtrans-68.4-18.317960.517.5000113L109 G226 L227 K381 F382 V383L109-N224 HydrophobicContact CD1-CB 4.19Å; N224-G226 VanDerWaalsContact C-N 3.27Å; N224-L227 WeakPolarHBondContact O-CB 3.37Å; N224-L227 PolarHBondContact O-N 2.87Å; N224-K381 PolarHBondContact N-O 3.46Å; N224-F382 VanDerWaalsContact OD1-CA 3.29Å; N224-F382 WeakPolarHBondContact OD1-CA 3.42Å; N224-V383 HydrophobicContact CB-CB 4.29Å; N224-V383 HydrophobicContact CB-CG1 4.49Å; N224-V383 PolarHBondContact OD1-N 3.13Å
225G95.9Very high95.1Very high0 Ų030.2 Ų30.20%017%0.17CC..G310 helixtrans-73.7-12.7169.400000114G223 L227 Y228 K381G223-G225 PolarHBondContact O-N 3.47Å; G225-L227 PolarHBondContact O-N 3.19Å; G225-Y228 WeakPolarHBondContact O-CD2 3.38Å; G225-Y228 PolarHBondContact O-N 2.81Å; G225-K381 WeakPolarHBondContact CA-O 3.49Å; G225-K381 PolarHBondContact N-O 3.03Å
226G95.8Very high95.3Very high1 Ų130.2 Ų30.21%0.0117%0.167CC..G310 helixtrans-59.5-12.3165.900000113.4D222 G223 N224 Y228 R229 A230D222-G226 WeakPolarHBondContact OD1-CA 3.46Å; G223-G226 PolarHBondContact O-N 3.33Å; N224-G226 VanDerWaalsContact C-N 3.27Å; G226-Y228 VanDerWaalsContact C-N 3.29Å; G226-Y228 PolarHBondContact O-N 2.9Å; G226-R229 PolarHBondContact O-N 3.06Å; G226-A230 WeakPolarHBondContact O-CB 3.25Å; G226-A230 PolarHBondContact O-N 3.47Å; G226-A230 VanDerWaalsContact O-N 3.1Å
227L97.9Very high95.5Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-42-52.3168.4173.262.4000113.1L107 L109 M166 F195 N224 G225 R229 A230 L231 V250 V383L107-L227 HydrophobicContact CD1-CD1 3.73Å; L107-L227 HydrophobicContact CD2-CD1 3.61Å; L107-L227 HydrophobicContact CD2-CD2 4.2Å; L107-L227 HydrophobicContact CG-CD1 4.32Å; L109-L227 HydrophobicContact CD2-CD2 4.33Å; M166-L227 HydrophobicContact CE-CB 4.23Å; M166-L227 WeakPolarHBondContact SD-CA 3.45Å; M166-L227 HydrophobicContact SD-CB 3.76Å; M166-L227 HydrophobicContact SD-CD1 3.65Å; M166-L227 HydrophobicContact SD-CG 4.34Å; F195-L227 HydrophobicContact CE2-CD1 4.03Å; F195-L227 HydrophobicContact CZ-CD1 3.78Å; N224-L227 WeakPolarHBondContact O-CB 3.37Å; N224-L227 PolarHBondContact O-N 2.87Å; G225-L227 PolarHBondContact O-N 3.19Å; L227-R229 PolarHBondContact O-N 3.31Å; L227-A230 WeakPolarHBondContact O-CB 3.4Å; L227-A230 PolarHBondContact O-N 3.23Å; L227-L231 HydrophobicContact CD1-CD1 3.86Å; L227-L231 HydrophobicContact CD1-CD2 4.12Å; L227-L231 HydrophobicContact CD1-CG 3.76Å; L227-L231 HydrophobicContact CG-CD1 3.87Å; L227-L231 HydrophobicContact CG-CG 4.19Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.1Å; L227-L231 PolarHBondContact O-N 3.05Å; L227-V250 HydrophobicContact CD2-CG1 4.44Å; L227-V383 HydrophobicContact CD2-CG2 3.77Å
228Y98.2Very high95.6Very high0 Ų031.6 Ų31.60%018%0.179CC..Hα-helixtrans-68.6-42.8-168-49.4-62.9000112.2G225 G226 A230 L231 G232 L339 V342 V343 L350 V383 I386G225-Y228 WeakPolarHBondContact O-CD2 3.38Å; G225-Y228 PolarHBondContact O-N 2.81Å; G226-Y228 VanDerWaalsContact C-N 3.29Å; G226-Y228 PolarHBondContact O-N 2.9Å; Y228-A230 VanDerWaalsContact C-N 3.3Å; Y228-A230 PolarHBondContact O-N 2.85Å; Y228-L231 PolarHBondContact O-N 3.18Å; Y228-G232 PolarHBondContact O-N 3.1Å; Y228-L339 HydrophobicContact CD1-CD1 3.96Å; Y228-L339 HydrophobicContact CE1-CD1 3.92Å; Y228-V342 HydrophobicContact CD1-CG1 3.48Å; Y228-V342 VanDerWaalsContact CD1-CG1 3.48Å; Y228-V342 HydrophobicContact CD2-CG1 4.22Å; Y228-V342 HydrophobicContact CE1-CG1 3.9Å; Y228-V342 HydrophobicContact CG-CG1 3.66Å; Y228-V343 WeakPolarHBondContact O-CG2 3.48Å; Y228-L350 HydrophobicContact CD2-CD1 3.43Å; Y228-L350 VanDerWaalsContact CD2-CD1 3.43Å; Y228-L350 HydrophobicContact CE2-CD1 3.66Å; Y228-V383 VanDerWaalsContact OH-C 3.23Å; Y228-V383 WeakPolarHBondContact OH-CA 3.46Å; Y228-V383 WeakPolarHBondContact OH-CG2 3.41Å; Y228-V383 PolarHBondContact OH-O 3.5Å; Y228-I386 HydrophobicContact CD2-CG2 4.13Å; Y228-I386 HydrophobicContact CE1-CD1 3.57Å; Y228-I386 HydrophobicContact CE1-CG1 4.41Å; Y228-I386 HydrophobicContact CE1-CG2 4.18Å; Y228-I386 HydrophobicContact CE2-CG2 3.49Å; Y228-I386 VanDerWaalsContact CE2-CG2 3.49Å; Y228-I386 WeakPolarHBondContact OH-CD1 3.39Å; Y228-I386 VanDerWaalsContact OH-CG1 3.26Å; Y228-I386 WeakPolarHBondContact OH-CG1 3.17Å
229R96.2Very high95.8Very high91 Ų9132.2 Ų32.234%0.34318%0.182SC..Hα-helixtrans-63.5-39.3174.2-165.1167.4-174.9174.40.6110.9E46 G226 L227 G232 N233 E347E46-R229 IonicContact OE1-CZ 3.88Å; E46-R229 IonicContact OE1-NH1 3.36Å; E46-R229 PolarHBondContact OE1-NH1 2.82Å; E46-R229 IonicContact OE1-NH2 3.6Å; E46-R229 IonicContact OE2-CZ 3.37Å; E46-R229 IonicContact OE2-NH1 2.87Å; E46-R229 PolarHBondContact OE2-NH1 2.77Å; E46-R229 IonicContact OE2-NH2 2.87Å; E46-R229 PolarHBondContact OE2-NH2 3.5Å; G226-R229 PolarHBondContact O-N 3.06Å; L227-R229 PolarHBondContact O-N 3.31Å; R229-G232 PolarHBondContact O-N 3.18Å; R229-N233 WeakPolarHBondContact O-CB 3.44Å; R229-N233 PolarHBondContact O-N 3.36Å; R229-N233 PolarHBondContact O-ND2 3.13Å; R229-E347 HydrophobicContact CB-CG 4.46Å
230A97.3Very high96Very high5 Ų530.7 Ų30.74%0.04117%0.174CC..Hα-helixtrans-64.5-40.5176.800000113F195 Q197 G226 L227 Y228 Q234F195-A230 HydrophobicContact CD2-CB 4Å; F195-A230 HydrophobicContact CE2-CB 3.96Å; Q197-A230 HydrophobicContact CB-CB 4.49Å; G226-A230 WeakPolarHBondContact O-CB 3.25Å; G226-A230 PolarHBondContact O-N 3.47Å; G226-A230 VanDerWaalsContact O-N 3.1Å; L227-A230 WeakPolarHBondContact O-CB 3.4Å; L227-A230 PolarHBondContact O-N 3.23Å; Y228-A230 VanDerWaalsContact C-N 3.3Å; Y228-A230 PolarHBondContact O-N 2.85Å; A230-Q234 WeakPolarHBondContact O-CB 3.43Å; A230-Q234 PolarHBondContact O-N 3.4Å; A230-Q234 PolarHBondContact O-NE2 2.73Å
231L98.1Very high96.4Very high0 Ų035.7 Ų35.70%020%0.196CC..Hα-helixtrans-60.7-44.4177.2-73.7174.7000112.1L107 F195 L227 Y228 I236 L237 M240 L339 V343L107-L231 HydrophobicContact CD1-CD2 3.95Å; F195-L231 HydrophobicContact CE2-CD2 4.13Å; F195-L231 HydrophobicContact CZ-CD2 4.04Å; L227-L231 HydrophobicContact CD1-CD1 3.86Å; L227-L231 HydrophobicContact CD1-CD2 4.12Å; L227-L231 HydrophobicContact CD1-CG 3.76Å; L227-L231 HydrophobicContact CG-CD1 3.87Å; L227-L231 HydrophobicContact CG-CG 4.19Å; L227-L231 VanDerWaalsContact O-CG 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.1Å; L227-L231 PolarHBondContact O-N 3.05Å; Y228-L231 PolarHBondContact O-N 3.18Å; L231-I236 HydrophobicContact CD2-CB 3.6Å; L231-I236 HydrophobicContact CD2-CG1 4.24Å; L231-I236 HydrophobicContact CD2-CG2 3.36Å; L231-I236 PolarHBondContact O-N 2.86Å; L231-I236 VanDerWaalsContact O-N 3.11Å; L231-L237 HydrophobicContact CB-CG 4.36Å; L231-M240 HydrophobicContact CD2-CE 4.42Å; L231-L339 HydrophobicContact CD1-CD1 3.77Å; L231-L339 HydrophobicContact CD1-CD2 3.81Å; L231-L339 HydrophobicContact CD1-CG 3.89Å; L231-V343 HydrophobicContact CB-CG2 4.04Å; L231-V343 HydrophobicContact CD1-CG2 4.27Å
232G94.9Very high96.7Very high36 Ų3643 Ų4337%0.37122%0.22SC..Hα-helixtrans-68.5-49.2178.100000112.5Y228 R229 Q234 G235Y228-G232 PolarHBondContact O-N 3.1Å; R229-G232 PolarHBondContact O-N 3.18Å; G232-Q234 VanDerWaalsContact C-N 3.3Å; G232-Q234 PolarHBondContact O-N 2.8Å; G232-G235 PolarHBondContact O-N 3.47Å
233N94.8Very high97Very high125 Ų12545.3 Ų45.367%0.66823%0.227SC*.Hα-helixtrans-68.7-25.4-173.2-70.9-7.7000114.2R229R229-N233 WeakPolarHBondContact O-CB 3.44Å; R229-N233 PolarHBondContact O-N 3.36Å; R229-N233 PolarHBondContact O-ND2 3.13Å
234Q97.4Very high97.3Very high85 Ų8546.5 Ų46.540%0.39724%0.24SC..THydrogen-bonded Turntrans-108.914.1-175.5-74.2166.594.400113.8Q196 A230 G232 I236Q196-Q234 PolarHBondContact O-NE2 2.52Å; A230-Q234 WeakPolarHBondContact O-CB 3.43Å; A230-Q234 PolarHBondContact O-N 3.4Å; A230-Q234 PolarHBondContact O-NE2 2.73Å; G232-Q234 VanDerWaalsContact C-N 3.3Å; G232-Q234 PolarHBondContact O-N 2.8Å; Q234-I236 HydrophobicContact CB-CD1 4.35Å; Q234-I236 HydrophobicContact CB-CG1 4.13Å; Q234-I236 PolarHBondContact O-N 2.93Å
235G96.8Very high97.5Very high26 Ų2644.1 Ų44.127%0.26823%0.227SC..THydrogen-bonded Turntrans65.423.4175.900000114.2G232 L237 D238 D239G232-G235 PolarHBondContact O-N 3.47Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-D238 PolarHBondContact O-N 2.87Å; G235-D239 PolarHBondContact O-N 2.81Å; G235-D239 VanDerWaalsContact O-N 3.1Å
236I98.5Very high97.6Very high9 Ų949.2 Ų49.25%0.04625%0.249CC..Hα-helixtrans-70.5-35.3-177.6-54.9-58.9000110.9Y164 I193 F195 L231 Q234 D238 D239 M240Y164-I236 HydrophobicContact CD1-CG2 3.57Å; Y164-I236 HydrophobicContact CE1-CG2 3.78Å; Y164-I236 HydrophobicContact CG-CG2 4.3Å; I193-I236 HydrophobicContact CG2-CD1 4.01Å; F195-I236 HydrophobicContact CB-CD1 3.67Å; F195-I236 HydrophobicContact CB-CG1 4.03Å; F195-I236 HydrophobicContact CD1-CD1 4.21Å; F195-I236 HydrophobicContact CD1-CG1 4.31Å; F195-I236 HydrophobicContact CD2-CG1 4.06Å; F195-I236 HydrophobicContact CG-CD1 3.93Å; F195-I236 HydrophobicContact CG-CG1 3.88Å; L231-I236 HydrophobicContact CD2-CB 3.6Å; L231-I236 HydrophobicContact CD2-CG1 4.24Å; L231-I236 HydrophobicContact CD2-CG2 3.36Å; L231-I236 PolarHBondContact O-N 2.86Å; L231-I236 VanDerWaalsContact O-N 3.11Å; Q234-I236 HydrophobicContact CB-CD1 4.35Å; Q234-I236 HydrophobicContact CB-CG1 4.13Å; Q234-I236 PolarHBondContact O-N 2.93Å; I236-D238 VanDerWaalsContact C-N 3.31Å; I236-D238 PolarHBondContact O-N 3.17Å; I236-D239 PolarHBondContact O-N 3.37Å; I236-M240 HydrophobicContact CG2-CE 3.92Å; I236-M240 WeakPolarHBondContact O-CG 3.31Å; I236-M240 PolarHBondContact O-N 3.35Å
237L97.9Very high97.8Very high13 Ų1350.9 Ų50.97%0.06826%0.256CS..Hα-helixtrans-63.3-38.4172.7-66.4-175.1000112.2L231 G235 D239 M240 Q241 F336 L339 R340 V343L231-L237 HydrophobicContact CB-CG 4.36Å; G235-L237 VanDerWaalsContact C-N 3.34Å; L237-D239 VanDerWaalsContact C-N 3.35Å; L237-M240 HydrophobicContact CD2-SD 4.38Å; L237-M240 PolarHBondContact O-N 2.8Å; L237-Q241 WeakPolarHBondContact O-CB 3.35Å; L237-Q241 PolarHBondContact O-N 2.9Å; L237-F336 HydrophobicContact CB-CE2 4.5Å; L237-F336 HydrophobicContact CD2-CE2 4.31Å; L237-F336 WeakPolarHBondContact O-CE2 3.34Å; L237-L339 HydrophobicContact CD2-CD2 4.2Å; L237-L339 HydrophobicContact CD2-CG 4.14Å; L237-R340 HydrophobicContact CD1-CB 4.39Å; L237-R340 HydrophobicContact CD1-CG 4.37Å; L237-V343 HydrophobicContact CD1-CB 3.66Å; L237-V343 HydrophobicContact CD1-CG1 3.74Å; L237-V343 HydrophobicContact CD1-CG2 3.82Å; L237-V343 HydrophobicContact CG-CG2 4.49Å
238D98.2Very high97.8Very high115 Ų11550.9 Ų50.962%0.61526%0.256SS*.Hα-helixtrans-66.1-40177.9-62.5-30.9000111G235 I236 Q241 R242G235-D238 PolarHBondContact O-N 2.87Å; I236-D238 VanDerWaalsContact C-N 3.31Å; I236-D238 PolarHBondContact O-N 3.17Å; D238-Q241 PolarHBondContact O-N 3.47Å; D238-R242 VanDerWaalsContact O-CB 3.3Å; D238-R242 WeakPolarHBondContact O-CB 3.19Å; D238-R242 PolarHBondContact O-N 3.05Å
239D98.7Very high97.9Very high24 Ų2451 Ų5113%0.12826%0.256CS..Hα-helixtrans-62.4-47.4173.8-17675.2000112.1Y164 G235 I236 L237 Q241 R242 R243Y164-D239 HydrophobicContact CE1-CB 4.5Å; Y164-D239 VanDerWaalsContact CE1-OD2 3.25Å; Y164-D239 WeakPolarHBondContact CE1-OD2 3.3Å; Y164-D239 VanDerWaalsContact CZ-OD2 3.3Å; Y164-D239 PolarHBondContact OH-OD2 3.31Å; G235-D239 PolarHBondContact O-N 2.81Å; G235-D239 VanDerWaalsContact O-N 3.1Å; I236-D239 PolarHBondContact O-N 3.37Å; L237-D239 VanDerWaalsContact C-N 3.35Å; D239-Q241 VanDerWaalsContact C-N 3.32Å; D239-Q241 PolarHBondContact O-N 3.23Å; D239-R242 PolarHBondContact O-N 3.35Å; D239-R242 IonicContact OD1-CZ 3.66Å; D239-R242 IonicContact OD1-NE 3.97Å; D239-R242 IonicContact OD1-NH2 2.65Å; D239-R242 PolarHBondContact OD1-NH2 2.96Å; D239-R243 WeakPolarHBondContact O-CB 3.34Å; D239-R243 VanDerWaalsContact O-CG 3.32Å; D239-R243 WeakPolarHBondContact O-CG 3.47Å; D239-R243 PolarHBondContact O-N 3.42Å; D239-R243 IonicContact OD1-CZ 3.89Å; D239-R243 IonicContact OD1-NE 3.61Å; D239-R243 PolarHBondContact OD1-NE 3.32Å; D239-R243 IonicContact OD1-NH2 3.69Å; D239-R243 WeakPolarHBondContact OD2-CD 3.4Å; D239-R243 IonicContact OD2-CZ 2.84Å; D239-R243 IonicContact OD2-NE 3.2Å; D239-R243 PolarHBondContact OD2-NE 3.09Å
240M98.6Very high98Very high0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-58.1-44.6175.3-73.8177.5-17900111.6L107 Y164 L231 I236 L237 R243 G244 V245 I248 F336 L339L107-M240 HydrophobicContact CD1-CE 4.1Å; Y164-M240 HydrophobicContact CD1-CE 4.32Å; Y164-M240 HydrophobicContact CD2-CE 3.57Å; Y164-M240 HydrophobicContact CE1-CE 4.41Å; Y164-M240 HydrophobicContact CE1-CG 4.26Å; Y164-M240 HydrophobicContact CE2-CE 3.64Å; Y164-M240 HydrophobicContact CE2-CG 3.7Å; Y164-M240 HydrophobicContact CG-CE 3.93Å; Y164-M240 WeakPolarHBondContact OH-CG 3.28Å; L231-M240 HydrophobicContact CD2-CE 4.42Å; I236-M240 HydrophobicContact CG2-CE 3.92Å; I236-M240 WeakPolarHBondContact O-CG 3.31Å; I236-M240 PolarHBondContact O-N 3.35Å; L237-M240 HydrophobicContact CD2-SD 4.38Å; L237-M240 PolarHBondContact O-N 2.8Å; M240-R243 PolarHBondContact O-N 2.92Å; M240-G244 PolarHBondContact O-N 2.86Å; M240-G244 VanDerWaalsContact O-N 3.17Å; M240-V245 HydrophobicContact CB-CB 4.14Å; M240-V245 WeakPolarHBondContact O-CB 3.43Å; M240-V245 PolarHBondContact O-N 3.32Å; M240-I248 HydrophobicContact CE-CG1 4.17Å; M240-I248 HydrophobicContact CE-CG2 4.48Å; M240-I248 HydrophobicContact SD-CD1 4.39Å; M240-I248 HydrophobicContact SD-CG1 3.99Å; M240-F336 HydrophobicContact CB-CD2 3.89Å; M240-F336 HydrophobicContact CB-CE2 3.73Å; M240-F336 HydrophobicContact SD-CD2 4.44Å; M240-L339 HydrophobicContact SD-CD2 4.26Å
241Q98.5Very high98.1Very high114 Ų11446.4 Ų46.453%0.53324%0.238SC..Hα-helixtrans-62.4-47.7178.4-174.4168.6-48.100111.6L237 D238 D239 R243 G244 F336L237-Q241 WeakPolarHBondContact O-CB 3.35Å; L237-Q241 PolarHBondContact O-N 2.9Å; D238-Q241 PolarHBondContact O-N 3.47Å; D239-Q241 VanDerWaalsContact C-N 3.32Å; D239-Q241 PolarHBondContact O-N 3.23Å; Q241-R243 VanDerWaalsContact C-N 3.26Å; Q241-R243 PolarHBondContact O-N 3.07Å; Q241-G244 PolarHBondContact O-N 3.3Å; Q241-F336 HydrophobicContact CB-CE1 4.28Å; Q241-F336 HydrophobicContact CB-CE2 4.27Å; Q241-F336 HydrophobicContact CB-CZ 3.67Å; Q241-F336 HydrophobicContact CG-CE1 4.43Å; Q241-F336 HydrophobicContact CG-CZ 4.27Å
242R98.4Very high98Very high182 Ų18247.5 Ų47.569%0.68725%0.245SC*.Hα-helixtrans-60.1-36.4178.7-178.9178.162.691.6-0.8112.2D238 D239 G244D238-R242 VanDerWaalsContact O-CB 3.3Å; D238-R242 WeakPolarHBondContact O-CB 3.19Å; D238-R242 PolarHBondContact O-N 3.05Å; D239-R242 PolarHBondContact O-N 3.35Å; D239-R242 IonicContact OD1-CZ 3.66Å; D239-R242 IonicContact OD1-NE 3.97Å; D239-R242 IonicContact OD1-NH2 2.65Å; D239-R242 PolarHBondContact OD1-NH2 2.96Å; R242-G244 VanDerWaalsContact C-N 3.27Å; R242-G244 PolarHBondContact O-N 2.97Å
243R98.2Very high98.2Very high69 Ų6946 Ų4626%0.2623%0.229SC..THydrogen-bonded Turntrans-78-9176.3-68.9173.9-175.1-91.92.5113.7D190 N191 D239 M240 Q241 V245D190-R243 PolarHBondContact O-NH2 3.39Å; N191-R243 PolarHBondContact OD1-NH1 3.33Å; D239-R243 WeakPolarHBondContact O-CB 3.34Å; D239-R243 VanDerWaalsContact O-CG 3.32Å; D239-R243 WeakPolarHBondContact O-CG 3.47Å; D239-R243 PolarHBondContact O-N 3.42Å; D239-R243 IonicContact OD1-CZ 3.89Å; D239-R243 IonicContact OD1-NE 3.61Å; D239-R243 PolarHBondContact OD1-NE 3.32Å; D239-R243 IonicContact OD1-NH2 3.69Å; D239-R243 WeakPolarHBondContact OD2-CD 3.4Å; D239-R243 IonicContact OD2-CZ 2.84Å; D239-R243 IonicContact OD2-NE 3.2Å; D239-R243 PolarHBondContact OD2-NE 3.09Å; M240-R243 PolarHBondContact O-N 2.92Å; Q241-R243 VanDerWaalsContact C-N 3.26Å; Q241-R243 PolarHBondContact O-N 3.07Å; R243-V245 VanDerWaalsContact C-N 3.32Å; R243-V245 HydrophobicContact CB-CG2 4.08Å
244G98.3Very high98.2Very high31 Ų3140.5 Ų40.532%0.3220%0.2SC..THydrogen-bonded Turntrans75.318.7-178.200000114.2M240 Q241 R242 K246M240-G244 PolarHBondContact O-N 2.86Å; M240-G244 VanDerWaalsContact O-N 3.17Å; Q241-G244 PolarHBondContact O-N 3.3Å; R242-G244 VanDerWaalsContact C-N 3.27Å; R242-G244 PolarHBondContact O-N 2.97Å; G244-K246 PolarHBondContact O-N 2.99Å
245V98.6Very high98.3Very high1 Ų136.6 Ų36.61%0.00618%0.181CC..  trans-59.3135176.71750000109.6A105 P162 M240 R243 I248A105-V245 HydrophobicContact CB-CG1 3.72Å; A105-V245 HydrophobicContact CB-CG2 3.97Å; P162-V245 HydrophobicContact CG-CG2 4.36Å; M240-V245 HydrophobicContact CB-CB 4.14Å; M240-V245 WeakPolarHBondContact O-CB 3.43Å; M240-V245 PolarHBondContact O-N 3.32Å; R243-V245 VanDerWaalsContact C-N 3.32Å; R243-V245 HydrophobicContact CB-CG2 4.08Å; V245-I248 HydrophobicContact CG1-CD1 4.07Å; V245-I248 HydrophobicContact CG1-CG1 4.06Å
246K98.8Very high98.4Very high106 Ų10635.5 Ų35.546%0.46117%0.169SC..  trans-117.1-29177.6-59.9-58.9177-171.80112.8K103 G244 S335 F336K103-K246 HydrophobicContact CB-CB 4.21Å; K103-K246 HydrophobicContact CB-CG 4.19Å; K103-K246 HydrophobicContact CD-CG 4.2Å; K103-K246 HydrophobicContact CG-CG 4.08Å; K103-K246 PolarHBondContact O-N 3.38Å; G244-K246 PolarHBondContact O-N 2.99Å; K246-S335 CarbonylContact O-C 3.46Å; K246-S335 WeakPolarHBondContact O-CA 3.35Å; K246-F336 PolarHBondContact O-N 3.4Å
247F98.9Very high98.4Very high37 Ų3735.1 Ų35.116%0.16217%0.168CC..EExtended strand (participates in β ladder)trans-133.3132.1-173.2-50.3-57.2000109.9C98 K103 V104 A105 V270 F333C98-F247 HydrophobicContact CB-CD2 4.25Å; C98-F247 HydrophobicContact CB-CE2 4.32Å; K103-F247 HydrophobicContact CB-CD2 4.44Å; K103-F247 PolarHBondContact O-N 2.65Å; V104-F247 WeakPolarHBondContact CA-O 3.46Å; V104-F247 HydrophobicContact CG2-CB 4.44Å; V104-F247 HydrophobicContact CG2-CD2 4.46Å; A105-F247 PolarHBondContact N-O 3.14Å; F247-V270 HydrophobicContact CD1-CG2 4.06Å; F247-V270 HydrophobicContact CD2-CG2 3.94Å; F247-V270 HydrophobicContact CE1-CG2 3.76Å; F247-V270 HydrophobicContact CE2-CG2 3.63Å; F247-V270 HydrophobicContact CG-CG2 4.14Å; F247-V270 HydrophobicContact CZ-CG1 4.19Å; F247-V270 HydrophobicContact CZ-CG2 3.53Å; F247-F333 HydrophobicContact CB-CE2 3.66Å; F247-F333 HydrophobicContact CB-CZ 4.04Å; F247-F333 HydrophobicContact CD1-CE1 4.27Å; F247-F333 AromaticContact CD1-CE2 3.79Å; F247-F333 HydrophobicContact CD1-CE2 3.79Å; F247-F333 AromaticContact CD1-CZ 3.29Å; F247-F333 HydrophobicContact CD1-CZ 3.29Å; F247-F333 AromaticContact CE1-CZ 3.98Å; F247-F333 HydrophobicContact CE1-CZ 3.98Å; F247-F333 AromaticContact CG-CE2 3.86Å; F247-F333 HydrophobicContact CG-CE2 3.86Å; F247-F333 AromaticContact CG-CZ 3.87Å; F247-F333 HydrophobicContact CG-CZ 3.87Å
248I98.9Very high98.4Very high0 Ų034.5 Ų34.50%016%0.164CC..EExtended strand (participates in β ladder)trans-120.1120.3-177.5-57.884.4000107.5A105 L107 M240 V245 V250 F333 F334 F336 L339A105-I248 WeakPolarHBondContact O-CA 3.37Å; L107-I248 HydrophobicContact CB-CG2 3.87Å; M240-I248 HydrophobicContact CE-CG1 4.17Å; M240-I248 HydrophobicContact CE-CG2 4.48Å; M240-I248 HydrophobicContact SD-CD1 4.39Å; M240-I248 HydrophobicContact SD-CG1 3.99Å; V245-I248 HydrophobicContact CG1-CD1 4.07Å; V245-I248 HydrophobicContact CG1-CG1 4.06Å; I248-V250 HydrophobicContact CG2-CG2 3.9Å; I248-F333 WeakPolarHBondContact O-CA 3.48Å; I248-F334 PolarHBondContact N-O 3.22Å; I248-F334 PolarHBondContact O-N 2.86Å; I248-F336 HydrophobicContact CD1-CB 3.99Å; I248-L339 HydrophobicContact CD1-CD2 4.25Å; I248-L339 HydrophobicContact CG1-CD2 4.23Å
249H98.9Very high98.5Very high1 Ų130.6 Ų30.61%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-93.5106.6168.1174.1-160000109A105 V106 L107 K259 A261 N331 H332A105-H249 PolarHBondContact O-N 2.87Å; V106-H249 CarbonylContact C-O 3.56Å; V106-H249 WeakPolarHBondContact CA-O 3.29Å; V106-H249 HydrophobicContact CG1-CB 4.21Å; L107-H249 PolarHBondContact N-O 3.18Å; H249-K259 PolarHBondContact CE1-O 3.11Å; H249-A261 PolarHBondContact ND1-N 3.18Å; H249-N331 PolarHBondContact NE2-OD1 3.09Å; H249-N331 VanDerWaalsContact NE2-OD1 3.14Å; H249-H332 CarbonylContact C-O 3.52Å; H249-H332 WeakPolarHBondContact CA-O 3.24Å; H249-H332 PolarHBondContact CD2-O 3.4Å
250V98.9Very high98.5Very high0 Ų029.5 Ų29.50%014%0.136CC..EExtended strand (participates in β ladder)trans-89.7131.3175.3-176.10000109.4L107 L109 L227 I248 N331 H332 F334 V383L107-V250 HydrophobicContact CB-CG2 4.13Å; L107-V250 HydrophobicContact CD2-CG1 4.06Å; L107-V250 CarbonylContact O-C 3.06Å; L107-V250 VanDerWaalsContact O-CA 3.3Å; L107-V250 WeakPolarHBondContact O-CA 3.32Å; L109-V250 HydrophobicContact CD1-CG1 3.91Å; L109-V250 HydrophobicContact CD2-CG1 4.02Å; L109-V250 HydrophobicContact CG-CG1 3.92Å; L227-V250 HydrophobicContact CD2-CG1 4.44Å; I248-V250 HydrophobicContact CG2-CG2 3.9Å; V250-N331 CarbonylContact O-C 3.52Å; V250-N331 WeakPolarHBondContact O-CA 3.38Å; V250-H332 HydrophobicContact CB-CB 4.41Å; V250-H332 PolarHBondContact N-O 3.47Å; V250-H332 PolarHBondContact O-N 2.91Å; V250-F334 HydrophobicContact CB-CD2 4.44Å; V250-F334 HydrophobicContact CB-CE2 4.1Å; V250-F334 HydrophobicContact CG2-CD2 3.46Å; V250-F334 VanDerWaalsContact CG2-CD2 3.46Å; V250-F334 HydrophobicContact CG2-CE2 3.51Å; V250-V383 HydrophobicContact CG1-CG2 4.27Å
251Y98.9Very high98.5Very high0 Ų029.5 Ų29.50%014%0.136CC..EExtended strand (participates in β ladder)trans-147.6158.6-179.772.8-78.4000113.7V106 L107 L108 L109 Q140 W163 V258 V260 A330V106-Y251 HydrophobicContact CB-CE1 4.09Å; L107-Y251 PolarHBondContact O-N 3.45Å; L108-Y251 HydrophobicContact CB-CE1 4.04Å; L108-Y251 HydrophobicContact CD1-CD2 3.92Å; L108-Y251 HydrophobicContact CD1-CE1 4.3Å; L108-Y251 HydrophobicContact CD1-CE2 3.4Å; L108-Y251 VanDerWaalsContact CD1-CE2 3.4Å; L108-Y251 HydrophobicContact CG-CE2 4.44Å; L109-Y251 PolarHBondContact N-O 3.34Å; Q140-Y251 HydrophobicContact CG-CE2 4.25Å; Q140-Y251 VanDerWaalsContact OE1-CE2 3.26Å; Q140-Y251 PolarHBondContact OE1-OH 3.17Å; W163-Y251 WeakPolarHBondContact CZ2-OH 3.42Å; W163-Y251 PolarHBondContact NE1-OH 3.13Å; W163-Y251 VanDerWaalsContact NE1-OH 3.09Å; Y251-V258 HydrophobicContact CD2-CB 4.4Å; Y251-V258 HydrophobicContact CD2-CG1 4.12Å; Y251-V258 HydrophobicContact CD2-CG2 3.63Å; Y251-V258 HydrophobicContact CE2-CG1 4.11Å; Y251-V258 HydrophobicContact CE2-CG2 4.33Å; Y251-V258 HydrophobicContact CG-CG2 4.06Å; Y251-V260 HydrophobicContact CE1-CG1 4.03Å; Y251-V260 HydrophobicContact CE2-CG2 3.99Å; Y251-A330 VanDerWaalsContact CA-O 3.3Å; Y251-A330 WeakPolarHBondContact CA-O 3.28Å
252C97.1Very high98.5Very high23 Ų2324.1 Ų24.116%0.15511%0.111CC..EExtended strand (participates in β ladder)trans-86.7142177.4-163.70000112.6D254 A330C252-D254 PolarHBondContact O-N 2.88Å; C252-A330 HydrophobicContact CB-CB 3.89Å; C252-A330 PolarHBondContact N-O 2.82Å; C252-A330 VanDerWaalsContact N-O 3.17Å
253V97.9Very high98.5Very high6 Ų615.5 Ų15.54%0.0368%0.079CC..THydrogen-bonded Turntrans-64.8-20.7-175.669.80000114.7L108 L109 A110 K123 F137 Q140L108-V253 VanDerWaalsContact CD1-CA 3.45Å; L108-V253 HydrophobicContact CD1-CB 3.59Å; L108-V253 HydrophobicContact CD1-CG2 4.07Å; L108-V253 HydrophobicContact CD2-CG2 4.19Å; L108-V253 HydrophobicContact CG-CB 4.36Å; L109-V253 PolarHBondContact O-N 3.11Å; A110-V253 HydrophobicContact CB-CB 4.4Å; A110-V253 HydrophobicContact CB-CG2 4.45Å; K123-V253 HydrophobicContact CB-CG1 4.35Å; F137-V253 HydrophobicContact CE1-CG2 4.15Å; Q140-V253 PolarHBondContact NE2-O 3.5Å; Q140-V253 VanDerWaalsContact NE2-O 3.1Å
254D96Very high98.5Very high9 Ų912.9 Ų12.95%0.0487%0.07CC..THydrogen-bonded Turntrans-963.6-162.766.114.5000116.4K123 C252 P406 L407 K408K123-D254 HydrophobicContact CD-CB 3.36Å; K123-D254 IonicContact NZ-OD2 2.78Å; K123-D254 PolarHBondContact NZ-OD2 3.16Å; C252-D254 PolarHBondContact O-N 2.88Å; D254-P406 CarbonylContact O-C 3.59Å; D254-P406 WeakPolarHBondContact O-CA 3.34Å; D254-L407 HydrophobicContact CB-CB 4.47Å; D254-L407 WeakPolarHBondContact O-CB 3.33Å; D254-L407 PolarHBondContact O-N 2.91Å; D254-K408 IonicContact OD1-NZ 3.22Å; D254-K408 PolarHBondContact OD1-NZ 3.5Å; D254-K408 VanDerWaalsContact OD1-NZ 3.14Å; D254-K408 VanDerWaalsContact OD2-CD 3.28Å; D254-K408 WeakPolarHBondContact OD2-CD 3.43Å; D254-K408 WeakPolarHBondContact OD2-CE 3.48Å; D254-K408 IonicContact OD2-NZ 2.74Å; D254-K408 PolarHBondContact OD2-NZ 3.02Å
255N98.4Very high98.5Very high2 Ų211.4 Ų11.41%0.0116%0.055CC..BIsolated β-bridgetrans-96112.4176176.315.9000110.6L257 V258 E403 S405N255-L257 PolarHBondContact O-N 3Å; N255-L257 PolarHBondContact OD1-N 3.23Å; N255-V258 HydrophobicContact CB-CB 4.16Å; N255-V258 PolarHBondContact ND2-N 3.44Å; N255-V258 WeakPolarHBondContact O-CB 3.32Å; N255-V258 WeakPolarHBondContact O-CG1 3.36Å; N255-V258 PolarHBondContact O-N 2.74Å; N255-E403 PolarHBondContact ND2-O 3.37Å; N255-S405 PolarHBondContact OD1-N 3.01Å; N255-S405 PolarHBondContact OD1-O 3.39Å
256I98.8Very high98.5Very high3 Ų311.4 Ų11.42%0.0156%0.055CC..THydrogen-bonded Turntrans-67.2-25.5179.2-163.6170.1000112.7V128 L130 L136 I139 R143 S405 A422 L426V128-I256 HydrophobicContact CG2-CD1 3.55Å; L130-I256 HydrophobicContact CD1-CD1 4.26Å; L136-I256 HydrophobicContact CD2-CB 4.07Å; L136-I256 HydrophobicContact CD2-CD1 4.4Å; L136-I256 HydrophobicContact CD2-CG1 3.98Å; I139-I256 HydrophobicContact CD1-CD1 4.45Å; I139-I256 HydrophobicContact CD1-CG1 4.18Å; R143-I256 PolarHBondContact NH1-O 2.88Å; R143-I256 PolarHBondContact NH2-O 2.86Å; I256-S405 PolarHBondContact N-O 3.36Å; I256-A422 HydrophobicContact CB-CB 4.41Å; I256-A422 HydrophobicContact CD1-CB 4.35Å; I256-A422 HydrophobicContact CG2-CB 3.98Å; I256-L426 HydrophobicContact CD1-CB 4.18Å; I256-L426 HydrophobicContact CD1-CD2 3.99Å; I256-L426 HydrophobicContact CG1-CB 4.46Å; I256-L426 HydrophobicContact CG1-CD2 4.12Å
257L98.9Very high98.5Very high2 Ų26.3 Ų6.31%0.013%0.033CC..THydrogen-bonded Turntrans-90.84.9-179.6-60.1-172.5000113.4N255 K259 A425 L426 L429N255-L257 PolarHBondContact O-N 3Å; N255-L257 PolarHBondContact OD1-N 3.23Å; L257-K259 PolarHBondContact O-N 3.49Å; L257-K259 VanDerWaalsContact O-N 3.1Å; L257-A425 HydrophobicContact CD1-CB 4.16Å; L257-L426 HydrophobicContact CD2-CB 4.05Å; L257-L426 HydrophobicContact CD2-CD1 3.61Å; L257-L426 HydrophobicContact CD2-CG 4.45Å; L257-L429 HydrophobicContact CD2-CD2 3.9Å
258V98.9Very high98.5Very high0 Ų04.6 Ų4.60%03%0.025CC..  trans-58.8118-175.963.60000112.7Q140 R143 Y251 N255 V260 N331Q140-V258 HydrophobicContact CG-CG1 4.05Å; R143-V258 VanDerWaalsContact CD-O 3.22Å; R143-V258 WeakPolarHBondContact CD-O 3.29Å; R143-V258 VanDerWaalsContact CZ-O 3.24Å; R143-V258 PolarHBondContact NE-O 2.75Å; R143-V258 PolarHBondContact NH1-O 3.1Å; Y251-V258 HydrophobicContact CD2-CB 4.4Å; Y251-V258 HydrophobicContact CD2-CG1 4.12Å; Y251-V258 HydrophobicContact CD2-CG2 3.63Å; Y251-V258 HydrophobicContact CE2-CG1 4.11Å; Y251-V258 HydrophobicContact CE2-CG2 4.33Å; Y251-V258 HydrophobicContact CG-CG2 4.06Å; N255-V258 HydrophobicContact CB-CB 4.16Å; N255-V258 PolarHBondContact ND2-N 3.44Å; N255-V258 WeakPolarHBondContact O-CB 3.32Å; N255-V258 WeakPolarHBondContact O-CG1 3.36Å; N255-V258 PolarHBondContact O-N 2.74Å; V258-V260 VanDerWaalsContact C-N 3.28Å; V258-V260 HydrophobicContact CG1-CG2 3.84Å; V258-V260 HydrophobicContact CG2-CG2 4.37Å; V258-V260 PolarHBondContact O-N 3.08Å; V258-N331 VanDerWaalsContact CG2-OD1 3.27Å; V258-N331 WeakPolarHBondContact CG2-OD1 3.49Å
259K98.8Very high98.5Very high33 Ų334.6 Ų4.614%0.1433%0.025CC..  trans-75.880.5170.5-65.7-174.382.2-155.40109.9H249 L257 A261 D262 E403 Y487H249-K259 PolarHBondContact CE1-O 3.11Å; L257-K259 PolarHBondContact O-N 3.49Å; L257-K259 VanDerWaalsContact O-N 3.1Å; K259-A261 PolarHBondContact O-N 3.32Å; K259-D262 HydrophobicContact CB-CB 3.77Å; K259-D262 IonicContact NZ-OD1 2.72Å; K259-D262 PolarHBondContact NZ-OD1 3.1Å; K259-D262 WeakPolarHBondContact O-CB 3.47Å; K259-D262 PolarHBondContact O-N 3.35Å; K259-E403 HydrophobicContact CD-CG 3.74Å; K259-E403 WeakPolarHBondContact CD-OE2 3.05Å; K259-E403 HydrophobicContact CG-CG 4.12Å; K259-Y487 WeakPolarHBondContact CA-OH 3.5Å; K259-Y487 HydrophobicContact CB-CE1 4.44Å; K259-Y487 WeakPolarHBondContact CB-OH 3.28Å; K259-Y487 PolarHBondContact O-OH 3.01Å
260V98.9Very high98.5Very high0 Ų05.9 Ų5.90%03%0.033CC..THydrogen-bonded Turntrans-57.1131.3179.3-175.50000109.5V106 Q140 R143 I144 L147 Y251 V258 D262 Y487V106-V260 HydrophobicContact CB-CG1 4.23Å; V106-V260 HydrophobicContact CG1-CG1 3.83Å; V106-V260 HydrophobicContact CG2-CG1 4.16Å; Q140-V260 HydrophobicContact CB-CG2 3.97Å; Q140-V260 HydrophobicContact CG-CG2 3.88Å; R143-V260 HydrophobicContact CB-CB 4.2Å; R143-V260 HydrophobicContact CB-CG2 4.47Å; I144-V260 HydrophobicContact CD1-CG1 4.02Å; I144-V260 HydrophobicContact CG1-CB 4.47Å; I144-V260 HydrophobicContact CG1-CG1 3.58Å; L147-V260 WeakPolarHBondContact CD1-O 3.43Å; Y251-V260 HydrophobicContact CE1-CG1 4.03Å; Y251-V260 HydrophobicContact CE2-CG2 3.99Å; V258-V260 VanDerWaalsContact C-N 3.28Å; V258-V260 HydrophobicContact CG1-CG2 3.84Å; V258-V260 HydrophobicContact CG2-CG2 4.37Å; V258-V260 PolarHBondContact O-N 3.08Å; V260-D262 VanDerWaalsContact C-N 3.27Å; V260-D262 PolarHBondContact O-N 2.92Å; V260-Y487 PolarHBondContact O-OH 3.42Å
261A98.6Very high98.5Very high0 Ų010.5 Ų10.50%06%0.055CC..THydrogen-bonded Turntrans49.438.7-171.100000115.2V104 V106 L147 V161 H249 K259 P263 I266V104-A261 HydrophobicContact CG1-CB 4.4Å; V106-A261 HydrophobicContact CG1-CB 3.56Å; L147-A261 HydrophobicContact CD1-CB 3.53Å; L147-A261 VanDerWaalsContact CD1-O 3.26Å; L147-A261 WeakPolarHBondContact CD1-O 3.43Å; V161-A261 HydrophobicContact CG1-CB 4.29Å; H249-A261 PolarHBondContact ND1-N 3.18Å; K259-A261 PolarHBondContact O-N 3.32Å; A261-P263 VanDerWaalsContact O-CD 3.29Å; A261-P263 WeakPolarHBondContact O-CD 3.5Å; A261-I266 HydrophobicContact CB-CD1 4.46Å
262D98.9Very high98.5Very high1 Ų115.7 Ų15.71%0.0058%0.077CC..  trans-48.4110.7-179.2-179.835.2000113.5K259 V260 T264 F265 I266 K279 Y487K259-D262 HydrophobicContact CB-CB 3.77Å; K259-D262 IonicContact NZ-OD1 2.72Å; K259-D262 PolarHBondContact NZ-OD1 3.1Å; K259-D262 WeakPolarHBondContact O-CB 3.47Å; K259-D262 PolarHBondContact O-N 3.35Å; V260-D262 VanDerWaalsContact C-N 3.27Å; V260-D262 PolarHBondContact O-N 2.92Å; D262-T264 VanDerWaalsContact C-N 3.27Å; D262-T264 PolarHBondContact O-N 3.44Å; D262-T264 PolarHBondContact OD1-N 2.85Å; D262-F265 HydrophobicContact CB-CB 4.1Å; D262-F265 PolarHBondContact O-N 3.33Å; D262-F265 WeakPolarHBondContact OD2-CB 3.27Å; D262-F265 PolarHBondContact OD2-N 3.11Å; D262-F265 VanDerWaalsContact OD2-N 3.1Å; D262-I266 WeakPolarHBondContact O-CB 3.37Å; D262-I266 VanDerWaalsContact O-CG1 3.32Å; D262-I266 WeakPolarHBondContact O-CG1 3.11Å; D262-I266 PolarHBondContact O-N 3.47Å; D262-K279 IonicContact OD2-NZ 3.14Å; D262-K279 PolarHBondContact OD2-NZ 3.22Å; D262-Y487 VanDerWaalsContact CA-OH 3.29Å; D262-Y487 WeakPolarHBondContact CA-OH 3.38Å; D262-Y487 PolarHBondContact N-OH 3.24Å
263P98.5Very high98.6Very high2 Ų217 Ų171%0.01310%0.095CC..Hα-helixtrans-64.7-32.8-17624-32.9000111.9E92 G95 L96 I99 L147 A261 G267E92-P263 HydrophobicContact CG-CB 4.32Å; E92-P263 HydrophobicContact CG-CG 4.08Å; G95-P263 VanDerWaalsContact CA-O 3.28Å; G95-P263 WeakPolarHBondContact CA-O 3.46Å; L96-P263 HydrophobicContact CD2-CB 4.09Å; L96-P263 HydrophobicContact CD2-CG 4.23Å; L96-P263 HydrophobicContact CG-CB 3.81Å; L96-P263 HydrophobicContact CG-CG 4.22Å; I99-P263 HydrophobicContact CD1-CB 4.27Å; L147-P263 HydrophobicContact CD2-CG 4.08Å; A261-P263 VanDerWaalsContact O-CD 3.29Å; A261-P263 WeakPolarHBondContact O-CD 3.5Å; P263-G267 PolarHBondContact O-N 2.7Å
264T98.8Very high98.6Very high13 Ų1317.1 Ų17.18%0.0810%0.096CC..Hα-helixtrans-66.8-49.2179-45.60000111L88 W91 D262 I266 G267 F268 Y396L88-T264 HydrophobicContact CB-CG2 4.49Å; L88-T264 HydrophobicContact CD2-CG2 4.02Å; W91-T264 HydrophobicContact CB-CG2 3.89Å; W91-T264 HydrophobicContact CE3-CG2 4.16Å; D262-T264 VanDerWaalsContact C-N 3.27Å; D262-T264 PolarHBondContact O-N 3.44Å; D262-T264 PolarHBondContact OD1-N 2.85Å; T264-I266 PolarHBondContact O-N 3.22Å; T264-G267 PolarHBondContact O-N 3.32Å; T264-F268 WeakPolarHBondContact O-CB 3.23Å; T264-F268 PolarHBondContact O-N 2.92Å; T264-Y396 WeakPolarHBondContact CG2-OH 3.42Å
265F98.9Very high98.7Very high0 Ų017.5 Ų17.50%010%0.098CC..Hα-helixtrans-62.2-43.7176.3176.1-132.9000113.1D262 F268 C269 K279 F333 Y396D262-F265 HydrophobicContact CB-CB 4.1Å; D262-F265 PolarHBondContact O-N 3.33Å; D262-F265 WeakPolarHBondContact OD2-CB 3.27Å; D262-F265 PolarHBondContact OD2-N 3.11Å; D262-F265 VanDerWaalsContact OD2-N 3.1Å; F265-F268 PolarHBondContact O-N 2.89Å; F265-C269 WeakPolarHBondContact CE2-SG 3.5Å; F265-C269 PolarHBondContact O-N 3.11Å; F265-C269 PolarHBondContact O-SG 2.84Å; F265-K279 HydrophobicContact CE1-CB 4.28Å; F265-K279 HydrophobicContact CE2-CB 4.24Å; F265-K279 HydrophobicContact CZ-CB 4.11Å; F265-F333 HydrophobicContact CE1-CB 3.77Å; F265-F333 HydrophobicContact CE2-CB 4.45Å; F265-F333 HydrophobicContact CZ-CB 3.66Å; F265-Y396 HydrophobicContact CB-CD1 4.02Å; F265-Y396 HydrophobicContact CB-CE1 4.23Å; F265-Y396 AromaticContact CD2-CD1 3.72Å; F265-Y396 HydrophobicContact CD2-CD1 3.72Å; F265-Y396 AromaticContact CD2-CG 3.79Å; F265-Y396 HydrophobicContact CD2-CG 3.79Å; F265-Y396 HydrophobicContact CE2-CG 4.45Å; F265-Y396 HydrophobicContact CG-CD1 4.22Å
266I98.9Very high98.8Very high1 Ų117.4 Ų17.41%0.00510%0.098CC..Hα-helixtrans-61.4-48.6176.6-69.8166.9000110.2V104 A261 D262 T264 F268 C269 V270 F333V104-I266 HydrophobicContact CG1-CD1 3.61Å; V104-I266 HydrophobicContact CG2-CD1 4.23Å; V104-I266 HydrophobicContact CG2-CG2 4.17Å; A261-I266 HydrophobicContact CB-CD1 4.46Å; D262-I266 WeakPolarHBondContact O-CB 3.37Å; D262-I266 VanDerWaalsContact O-CG1 3.32Å; D262-I266 WeakPolarHBondContact O-CG1 3.11Å; D262-I266 PolarHBondContact O-N 3.47Å; T264-I266 PolarHBondContact O-N 3.22Å; I266-F268 PolarHBondContact O-N 3.49Å; I266-C269 PolarHBondContact O-N 2.86Å; I266-V270 HydrophobicContact CG2-CG2 4.26Å; I266-V270 WeakPolarHBondContact O-CB 3.46Å; I266-V270 VanDerWaalsContact O-CG2 3.24Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 3.18Å; I266-F333 HydrophobicContact CG1-CD2 4.42Å; I266-F333 HydrophobicContact CG2-CE2 4.28Å
267G98.8Very high98.8Very high0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-63.2-40.3-179.800000113.2W91 P263 T264 V270 Q271W91-G267 WeakPolarHBondContact O-CA 3.43Å; P263-G267 PolarHBondContact O-N 2.7Å; T264-G267 PolarHBondContact O-N 3.32Å; G267-V270 PolarHBondContact O-N 3.01Å; G267-Q271 WeakPolarHBondContact O-CB 3.4Å; G267-Q271 WeakPolarHBondContact O-CG 3.41Å; G267-Q271 PolarHBondContact O-N 3.32Å
268F98.9Very high98.8Very high0 Ų017.2 Ų17.20%010%0.097CC..Hα-helixtrans-55.4-53171.5166.6-104.4000111.2W91 T264 F265 I266 V270 Q271 K272 V394 Y396W91-F268 HydrophobicContact CD2-CB 3.9Å; W91-F268 HydrophobicContact CD2-CD2 4.13Å; W91-F268 AromaticContact CE2-CD2 3.8Å; W91-F268 HydrophobicContact CE3-CB 4.14Å; W91-F268 HydrophobicContact CE3-CD2 4.28Å; W91-F268 HydrophobicContact CG-CB 4.06Å; W91-F268 AromaticContact CH2-CD2 3.83Å; W91-F268 HydrophobicContact CH2-CD2 3.83Å; W91-F268 HydrophobicContact CH2-CE2 4.27Å; W91-F268 AromaticContact CZ2-CD2 3.65Å; W91-F268 HydrophobicContact CZ2-CD2 3.65Å; W91-F268 HydrophobicContact CZ2-CE2 4.21Å; W91-F268 HydrophobicContact CZ3-CD2 4.17Å; T264-F268 WeakPolarHBondContact O-CB 3.23Å; T264-F268 PolarHBondContact O-N 2.92Å; F265-F268 PolarHBondContact O-N 2.89Å; I266-F268 PolarHBondContact O-N 3.49Å; F268-V270 PolarHBondContact O-N 3.21Å; F268-Q271 PolarHBondContact O-N 2.78Å; F268-K272 HydrophobicContact CD2-CG 4.18Å; F268-K272 HydrophobicContact CE2-CD 4.46Å; F268-K272 HydrophobicContact CE2-CG 3.88Å; F268-K272 HydrophobicContact CZ-CG 4.2Å; F268-K272 WeakPolarHBondContact O-CB 3.41Å; F268-K272 WeakPolarHBondContact O-CG 3.39Å; F268-K272 PolarHBondContact O-N 3.49Å; F268-V394 HydrophobicContact CD1-CG2 4.21Å; F268-V394 HydrophobicContact CE1-CB 3.74Å; F268-V394 HydrophobicContact CE1-CG2 3.57Å; F268-V394 HydrophobicContact CZ-CB 4.02Å; F268-V394 HydrophobicContact CZ-CG2 4.31Å; F268-Y396 HydrophobicContact CB-CD2 4.2Å; F268-Y396 HydrophobicContact CB-CE2 4.25Å; F268-Y396 AromaticContact CD1-CD2 3.61Å; F268-Y396 HydrophobicContact CD1-CD2 3.61Å; F268-Y396 HydrophobicContact CD1-CE2 4.45Å; F268-Y396 HydrophobicContact CD1-CG 4.01Å; F268-Y396 HydrophobicContact CD2-CD2 4.12Å; F268-Y396 HydrophobicContact CD2-CE2 4.41Å; F268-Y396 AromaticContact CE1-CD2 3.94Å; F268-Y396 HydrophobicContact CE1-CD2 3.94Å; F268-Y396 HydrophobicContact CE1-CG 4.33Å; F268-Y396 HydrophobicContact CE2-CD2 4.41Å; F268-Y396 AromaticContact CG-CD2 3.7Å; F268-Y396 HydrophobicContact CG-CD2 3.7Å; F268-Y396 HydrophobicContact CG-CE2 4.12Å; F268-Y396 HydrophobicContact CG-CG 4.47Å; F268-Y396 HydrophobicContact CZ-CD2 4.33Å
269C98.9Very high98.8Very high0 Ų017.2 Ų17.20%010%0.097CC..Hα-helixtrans-60.8-44.7180-64.40000111.7F265 I266 K272 G273 A274 F333 V394F265-C269 WeakPolarHBondContact CE2-SG 3.5Å; F265-C269 PolarHBondContact O-N 3.11Å; F265-C269 PolarHBondContact O-SG 2.84Å; I266-C269 PolarHBondContact O-N 2.86Å; C269-K272 PolarHBondContact O-N 3.31Å; C269-G273 PolarHBondContact O-N 3.38Å; C269-A274 HydrophobicContact CB-CB 4.17Å; C269-A274 WeakPolarHBondContact O-CB 3.42Å; C269-A274 PolarHBondContact O-N 3.18Å; C269-F333 HydrophobicContact CB-CB 4.3Å; C269-F333 HydrophobicContact CB-CD1 3.6Å; C269-F333 HydrophobicContact CB-CD2 3.72Å; C269-F333 HydrophobicContact CB-CE1 3.68Å; C269-F333 HydrophobicContact CB-CE2 3.76Å; C269-F333 HydrophobicContact CB-CG 3.61Å; C269-F333 HydrophobicContact CB-CZ 3.73Å; C269-V394 HydrophobicContact CB-CG2 4.49Å
270V98.8Very high98.8Very high28 Ų2815.7 Ų15.717%0.179%0.09CC..Hα-helixtrans-64.5-43.6179.7172.80000111.8K94 F247 I266 G267 F268 K272 G273 F333K94-V270 HydrophobicContact CD-CG1 4.48Å; K94-V270 VanDerWaalsContact CE-CG1 3.48Å; K94-V270 HydrophobicContact CG-CB 4.49Å; K94-V270 HydrophobicContact CG-CG1 4.22Å; F247-V270 HydrophobicContact CD1-CG2 4.06Å; F247-V270 HydrophobicContact CD2-CG2 3.94Å; F247-V270 HydrophobicContact CE1-CG2 3.76Å; F247-V270 HydrophobicContact CE2-CG2 3.63Å; F247-V270 HydrophobicContact CG-CG2 4.14Å; F247-V270 HydrophobicContact CZ-CG1 4.19Å; F247-V270 HydrophobicContact CZ-CG2 3.53Å; I266-V270 HydrophobicContact CG2-CG2 4.26Å; I266-V270 WeakPolarHBondContact O-CB 3.46Å; I266-V270 VanDerWaalsContact O-CG2 3.24Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 3.18Å; G267-V270 PolarHBondContact O-N 3.01Å; F268-V270 PolarHBondContact O-N 3.21Å; V270-K272 VanDerWaalsContact C-N 3.31Å; V270-K272 PolarHBondContact O-N 3.09Å; V270-G273 PolarHBondContact O-N 3.32Å; V270-G273 VanDerWaalsContact O-N 3.11Å; V270-F333 HydrophobicContact CG2-CE2 4.17Å; V270-F333 HydrophobicContact CG2-CZ 4.06Å
271Q98.6Very high98.8Very high97 Ų9715.7 Ų15.745%0.4539%0.09SC..Hα-helixtrans-68-31.9178.7-74.4-168.5-0.600112.6D90 W91 K94 G267 F268 G273D90-Q271 PolarHBondContact O-NE2 3.06Å; W91-Q271 VanDerWaalsContact NE1-OE1 3.14Å; K94-Q271 HydrophobicContact CB-CG 4.35Å; K94-Q271 HydrophobicContact CG-CG 4.01Å; G267-Q271 WeakPolarHBondContact O-CB 3.4Å; G267-Q271 WeakPolarHBondContact O-CG 3.41Å; G267-Q271 PolarHBondContact O-N 3.32Å; F268-Q271 PolarHBondContact O-N 2.78Å; Q271-G273 PolarHBondContact O-N 3.4Å
272K98.4Very high98.7Very high110 Ų11018.4 Ų18.448%0.47810%0.103SC..THydrogen-bonded Turntrans-75.9-5.1173.1-68.2-68.7-174.91730113.4F268 C269 V270 A274 V394F268-K272 HydrophobicContact CD2-CG 4.18Å; F268-K272 HydrophobicContact CE2-CD 4.46Å; F268-K272 HydrophobicContact CE2-CG 3.88Å; F268-K272 HydrophobicContact CZ-CG 4.2Å; F268-K272 WeakPolarHBondContact O-CB 3.41Å; F268-K272 WeakPolarHBondContact O-CG 3.39Å; F268-K272 PolarHBondContact O-N 3.49Å; C269-K272 PolarHBondContact O-N 3.31Å; V270-K272 VanDerWaalsContact C-N 3.31Å; V270-K272 PolarHBondContact O-N 3.09Å; K272-A274 PolarHBondContact O-N 3.02Å; K272-V394 HydrophobicContact CB-CG1 3.88Å; K272-V394 HydrophobicContact CG-CG1 4.25Å
273G98.4Very high98.6Very high51 Ų5118.5 Ų18.553%0.52610%0.103SC..THydrogen-bonded Turntrans6328.8-174.200000112.4C269 V270 Q271C269-G273 PolarHBondContact O-N 3.38Å; V270-G273 PolarHBondContact O-N 3.32Å; V270-G273 VanDerWaalsContact O-N 3.11Å; Q271-G273 PolarHBondContact O-N 3.4Å
274A98.8Very high98.5Very high7 Ų722.8 Ų22.86%0.05813%0.13CC..  trans-71.5139.3-177.800000110.8C269 K272 F333 T392 V394C269-A274 HydrophobicContact CB-CB 4.17Å; C269-A274 WeakPolarHBondContact O-CB 3.42Å; C269-A274 PolarHBondContact O-N 3.18Å; K272-A274 PolarHBondContact O-N 3.02Å; A274-F333 WeakPolarHBondContact O-CE1 3.07Å; A274-T392 WeakPolarHBondContact CA-O 3.34Å; A274-T392 WeakPolarHBondContact CB-O 3.3Å; A274-V394 HydrophobicContact CB-CB 4.37Å; A274-V394 HydrophobicContact CB-CG1 3.95Å; A274-V394 HydrophobicContact CB-CG2 3.55Å
275D98.8Very high98.4Very high18 Ų1825.2 Ų25.210%0.09614%0.142CC..SBendtrans-96.5-20.316966.6-22.6000111.6S335 F338 K391 T392D275-S335 PolarHBondContact O-N 2.96Å; D275-S335 PolarHBondContact O-OG 2.99Å; D275-F338 HydrophobicContact CB-CB 4.01Å; D275-F338 HydrophobicContact CB-CG 4.45Å; D275-F338 WeakPolarHBondContact O-CD1 3.26Å; D275-K391 PolarHBondContact OD1-N 3.08Å; D275-K391 WeakPolarHBondContact OD2-CB 3.35Å; D275-K391 PolarHBondContact OD2-N 2.93Å; D275-T392 PolarHBondContact N-O 3.46Å; D275-T392 VanDerWaalsContact N-O 3.15Å; D275-T392 VanDerWaalsContact OD1-C 3.24Å; D275-T392 WeakPolarHBondContact OD1-CA 3.42Å; D275-T392 PolarHBondContact OD1-N 2.98Å
276C98.9Very high98.2Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-141138.7173.5-175.80000111.2F333 F334 F338 F387 A390 F393 V394C276-F333 CarbonylContact C-O 3.58Å; C276-F333 VanDerWaalsContact CA-O 3.29Å; C276-F333 WeakPolarHBondContact CA-O 3.28Å; C276-F334 HydrophobicContact CB-CD1 4.35Å; C276-F334 WeakPolarHBondContact SG-CE1 3.44Å; C276-F338 HydrophobicContact CB-CD1 4.06Å; C276-F338 HydrophobicContact CB-CE1 3.7Å; C276-F338 HydrophobicContact CB-CZ 4.21Å; C276-F387 VanDerWaalsContact SG-CD1 3.5Å; C276-A390 HydrophobicContact CB-CB 3.48Å; C276-A390 VanDerWaalsContact CB-CB 3.48Å; C276-F393 HydrophobicContact CB-CD2 3.96Å; C276-F393 WeakPolarHBondContact O-CA 3.46Å; C276-V394 PolarHBondContact O-N 2.9Å; C276-V394 VanDerWaalsContact O-N 3.1Å
277G98.9Very high97.9Very high0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-140.9146.7174.600000112.5H332 F333 V394G277-H332 CarbonylContact O-C 3.57Å; G277-H332 VanDerWaalsContact O-CA 3.27Å; G277-H332 WeakPolarHBondContact O-CA 3.21Å; G277-F333 PolarHBondContact N-O 3.36Å; G277-F333 PolarHBondContact O-N 2.83Å; G277-V394 CarbonylContact C-O 3.55Å; G277-V394 WeakPolarHBondContact CA-O 3.25Å
278A98.9Very high97.6Very high0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-120.6126.5174.900000111.1V293 F387 F393 V394 V395 Y396A278-V293 HydrophobicContact CB-CG2 4.32Å; A278-F387 HydrophobicContact CB-CE2 3.83Å; A278-F387 HydrophobicContact CB-CZ 3.89Å; A278-F393 HydrophobicContact CB-CE2 4.2Å; A278-F393 HydrophobicContact CB-CZ 3.71Å; A278-V394 PolarHBondContact N-O 3.21Å; A278-V395 CarbonylContact O-C 3.51Å; A278-V395 WeakPolarHBondContact O-CA 3.42Å; A278-Y396 PolarHBondContact O-N 3.02Å
279K98.9Very high97.2Very high1 Ų135.9 Ų35.90%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-83.7136.3168.8-176.2176.9-73.3-169.80109.4D262 F265 V329 N331 Y396 V398 E403D262-K279 IonicContact OD2-NZ 3.14Å; D262-K279 PolarHBondContact OD2-NZ 3.22Å; F265-K279 HydrophobicContact CE1-CB 4.28Å; F265-K279 HydrophobicContact CE2-CB 4.24Å; F265-K279 HydrophobicContact CZ-CB 4.11Å; K279-V329 HydrophobicContact CB-CG2 4.42Å; K279-V329 HydrophobicContact CG-CG2 4.22Å; K279-V329 WeakPolarHBondContact O-CG2 3.18Å; K279-N331 HydrophobicContact CB-CB 3.86Å; K279-N331 WeakPolarHBondContact CB-O 3.29Å; K279-N331 HydrophobicContact CD-CB 4.26Å; K279-N331 PolarHBondContact N-O 3.42Å; K279-Y396 CarbonylContact C-O 3.53Å; K279-Y396 VanDerWaalsContact CA-O 3.29Å; K279-Y396 WeakPolarHBondContact CA-O 3.32Å; K279-Y396 HydrophobicContact CG-CD1 4.49Å; K279-V398 HydrophobicContact CD-CG1 3.9Å; K279-V398 HydrophobicContact CD-CG2 4.02Å; K279-V398 HydrophobicContact CG-CG1 3.88Å; K279-V398 HydrophobicContact CG-CG2 3.91Å; K279-E403 WeakPolarHBondContact CD-OE2 3.39Å; K279-E403 WeakPolarHBondContact CE-OE2 3.49Å; K279-E403 IonicContact NZ-OE1 2.86Å; K279-E403 IonicContact NZ-OE2 2.73Å; K279-E403 PolarHBondContact NZ-OE2 3.49Å
280V98.9Very high96.9Very high1 Ų136.6 Ų36.61%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-135.8157.6-176.6-60.10000111.3V293 A326 G327 V395 Y396 E397 V398V280-V293 HydrophobicContact CG1-CB 4.35Å; V280-V293 HydrophobicContact CG1-CG2 3.55Å; V280-A326 HydrophobicContact CB-CB 4.41Å; V280-A326 HydrophobicContact CG1-CB 4.26Å; V280-A326 HydrophobicContact CG2-CB 4.21Å; V280-G327 CarbonylContact C-O 3.57Å; V280-G327 WeakPolarHBondContact CA-O 3.48Å; V280-G327 VanDerWaalsContact CB-O 3.25Å; V280-G327 WeakPolarHBondContact CB-O 3.41Å; V280-V395 HydrophobicContact CB-CG1 4.29Å; V280-V395 HydrophobicContact CG1-CG1 3.79Å; V280-V395 HydrophobicContact CG2-CG1 3.48Å; V280-V395 VanDerWaalsContact CG2-CG1 3.48Å; V280-Y396 PolarHBondContact N-O 3.09Å; V280-E397 HydrophobicContact CG2-CB 4.09Å; V280-E397 WeakPolarHBondContact O-CA 3.35Å; V280-V398 WeakPolarHBondContact O-CG2 3.45Å; V280-V398 PolarHBondContact O-N 3.32Å
281V98.6Very high96.8Very high0 Ų035.4 Ų35.40%021%0.209CC..EExtended strand (participates in β ladder)trans-114.1157.4165.1-65.50000109.2K283 G327 V329 V398 R400 F404V281-K283 PolarHBondContact O-N 3.01Å; V281-K283 VanDerWaalsContact O-N 3.16Å; V281-G327 PolarHBondContact N-O 3.42Å; V281-G327 WeakPolarHBondContact O-CA 3.36Å; V281-G327 PolarHBondContact O-N 2.64Å; V281-V329 HydrophobicContact CB-CG1 4.13Å; V281-V329 HydrophobicContact CG1-CG1 3.75Å; V281-V329 HydrophobicContact CG2-CG1 3.52Å; V281-V398 HydrophobicContact CG1-CG2 3.85Å; V281-R400 HydrophobicContact CB-CB 4.31Å; V281-R400 HydrophobicContact CG1-CB 4.14Å; V281-F404 HydrophobicContact CG1-CB 3.92Å; V281-F404 HydrophobicContact CG2-CD1 4.12Å
282E98.1Very high96.7Very high57 Ų5730.9 Ų30.927%0.26619%0.188SC..EExtended strand (participates in β ladder)trans-64.2118.5172.4-173172.1-161.200110.4T284 R321 R400E282-T284 HydrophobicContact CG-CG2 3.87Å; E282-R321 IonicContact OE1-CZ 3.62Å; E282-R321 IonicContact OE1-NE 3.92Å; E282-R321 IonicContact OE1-NH1 3.96Å; E282-R321 PolarHBondContact OE1-NH1 2.83Å; E282-R321 IonicContact OE2-CZ 3.98Å; E282-R321 IonicContact OE2-NH1 2.68Å; E282-R321 PolarHBondContact OE2-NH1 3.19Å; E282-R400 PolarHBondContact O-NH2 3.32Å
283K97.1Very high96.7Very high3 Ų325.7 Ų25.71%0.01317%0.166CC..  trans-79.6114.3165.6-176.8-177.2177.41790108V281 N285 P286 E288 V290 V292 L322 S325V281-K283 PolarHBondContact O-N 3.01Å; V281-K283 VanDerWaalsContact O-N 3.16Å; K283-N285 WeakPolarHBondContact CE-O 3.26Å; K283-P286 WeakPolarHBondContact CE-O 3.34Å; K283-P286 PolarHBondContact NZ-O 2.81Å; K283-E288 HydrophobicContact CG-CB 4.26Å; K283-V290 HydrophobicContact CB-CG2 4.41Å; K283-V290 HydrophobicContact CD-CG2 3.92Å; K283-V290 HydrophobicContact CG-CG2 4.17Å; K283-V292 HydrophobicContact CD-CG1 3.79Å; K283-L322 HydrophobicContact CG-CD1 4.17Å; K283-L322 WeakPolarHBondContact O-CD1 3.3Å; K283-S325 WeakPolarHBondContact CB-O 3.38Å; K283-S325 PolarHBondContact N-O 3.17Å
284T95.9Very high96.7Very high92 Ų9223.2 Ų23.256%0.56414%0.141SC*.  trans-107.2-25.3-178.956.50000112.8E282E282-T284 HydrophobicContact CG-CG2 3.87Å
285N95.4Very high96.6Very high64 Ų6425.3 Ų25.334%0.34215%0.148SC..SBendtrans-99.6121175.7-177.5-14000110.2K283 T287 E288K283-N285 WeakPolarHBondContact CE-O 3.26Å; N285-T287 PolarHBondContact O-N 2.79Å; N285-T287 PolarHBondContact OD1-N 3.39Å; N285-T287 PolarHBondContact OD1-OG1 3.07Å; N285-E288 HydrophobicContact CB-CB 4.31Å; N285-E288 WeakPolarHBondContact O-CB 3.4Å; N285-E288 PolarHBondContact O-N 3.08Å; N285-E288 VanDerWaalsContact O-N 3.09Å
286P95.1Very high96.4Very high23 Ų2324.7 Ų24.715%0.14915%0.145CC..THydrogen-bonded Turntrans-50.8-39.3178.3-29.435.6000114.3K283 A313 E314 L322K283-P286 WeakPolarHBondContact CE-O 3.34Å; K283-P286 PolarHBondContact NZ-O 2.81Å; P286-A313 HydrophobicContact CB-CB 4.4Å; P286-E314 HydrophobicContact CB-CG 3.75Å; P286-E314 HydrophobicContact CG-CG 3.95Å; P286-L322 HydrophobicContact CG-CD1 4.32Å; P286-L322 HydrophobicContact CG-CD2 4.03Å
287T93.8Very high96.1Very high101 Ų10129.4 Ų29.462%0.6217%0.17SC*.THydrogen-bonded Turntrans-95.514.2-175.567.50000113.3N285 A289 L310N285-T287 PolarHBondContact O-N 2.79Å; N285-T287 PolarHBondContact OD1-N 3.39Å; N285-T287 PolarHBondContact OD1-OG1 3.07Å; T287-A289 PolarHBondContact O-N 2.85Å; T287-L310 HydrophobicContact CG2-CD1 4.09Å
288E92.6Very high95.9Very high36 Ų3631.6 Ų31.617%0.16819%0.193CC..  trans-62.7130170.3-162.6-170165.100109.8K283 N285 V290 R400K283-E288 HydrophobicContact CG-CB 4.26Å; N285-E288 HydrophobicContact CB-CB 4.31Å; N285-E288 WeakPolarHBondContact O-CB 3.4Å; N285-E288 PolarHBondContact O-N 3.08Å; N285-E288 VanDerWaalsContact O-N 3.09Å; E288-V290 HydrophobicContact CG-CG1 3.96Å; E288-V290 HydrophobicContact CG-CG2 4.41Å; E288-V290 PolarHBondContact O-N 2.81Å; E288-V290 WeakPolarHBondContact OE1-CG1 3.32Å; E288-R400 IonicContact OE1-CZ 3.71Å; E288-R400 IonicContact OE1-NH1 3.56Å; E288-R400 PolarHBondContact OE1-NH1 3.37Å; E288-R400 IonicContact OE1-NH2 2.83Å; E288-R400 PolarHBondContact OE1-NH2 3.4Å; E288-R400 IonicContact OE2-CZ 3.31Å; E288-R400 IonicContact OE2-NH2 2.78Å; E288-R400 PolarHBondContact OE2-NH2 3.42Å
289A90.4Very high95.8Very high65 Ų6537.7 Ų37.754%0.53722%0.216SC..SBendtrans-77.957.4-177.400000112.1T287 Y305T287-A289 PolarHBondContact O-N 2.85Å; A289-Y305 HydrophobicContact CB-CD1 4.17Å; A289-Y305 HydrophobicContact CB-CD2 4Å; A289-Y305 HydrophobicContact CB-CE1 4.2Å; A289-Y305 HydrophobicContact CB-CE2 4.03Å; A289-Y305 HydrophobicContact CB-CG 4.08Å
290V92.8Very high95.7Very high15 Ų1539.4 Ų39.49%0.09122%0.223CC..  trans-125.4135.4174.2-520000109.2K283 E288K283-V290 HydrophobicContact CB-CG2 4.41Å; K283-V290 HydrophobicContact CD-CG2 3.92Å; K283-V290 HydrophobicContact CG-CG2 4.17Å; E288-V290 HydrophobicContact CG-CG1 3.96Å; E288-V290 HydrophobicContact CG-CG2 4.41Å; E288-V290 PolarHBondContact O-N 2.81Å; E288-V290 WeakPolarHBondContact OE1-CG1 3.32Å
291G95.3Very high95.6Very high2 Ų241.4 Ų41.42%0.02123%0.232CC..  trans-62.4149.4168.500000111.1V303 N328G291-V303 CarbonylContact C-O 3.53Å; G291-V303 WeakPolarHBondContact CA-O 3.39Å; G291-N328 WeakPolarHBondContact O-CB 3.08Å; G291-N328 PolarHBondContact O-N 3.25Å
292V97.6Very high95.5Very high2 Ų241.8 Ų41.81%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-108.1126.3-179.7-65.80000110.4M70 K283 C294 V302 V303 I308 F324 A326M70-V292 HydrophobicContact CE-CG2 4.01Å; K283-V292 HydrophobicContact CD-CG1 3.79Å; V292-C294 PolarHBondContact O-N 2.85Å; V292-V302 WeakPolarHBondContact O-CA 3.47Å; V292-V303 HydrophobicContact CG2-CB 4.26Å; V292-V303 PolarHBondContact N-O 3.34Å; V292-V303 PolarHBondContact O-N 2.96Å; V292-I308 HydrophobicContact CG2-CD1 4.03Å; V292-F324 HydrophobicContact CB-CB 4.28Å; V292-F324 HydrophobicContact CG1-CB 4.36Å; V292-F324 WeakPolarHBondContact CG1-O 3.42Å; V292-F324 HydrophobicContact CG2-CB 4.2Å; V292-A326 WeakPolarHBondContact CA-O 3.42Å
293V98.5Very high95.3Very high1 Ų139 Ų391%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-70.1128.3170.8-174.40000107.9V73 A278 V280 Q301 V302 A326 N328 F393 V395V73-V293 HydrophobicContact CG2-CB 4.19Å; V73-V293 HydrophobicContact CG2-CG1 3.89Å; V73-V293 VanDerWaalsContact CG2-O 3.3Å; V73-V293 WeakPolarHBondContact CG2-O 3.37Å; A278-V293 HydrophobicContact CB-CG2 4.32Å; V280-V293 HydrophobicContact CG1-CB 4.35Å; V280-V293 HydrophobicContact CG1-CG2 3.55Å; V293-Q301 WeakPolarHBondContact CA-O 3.38Å; V293-V302 HydrophobicContact CG2-CG2 4.06Å; V293-A326 HydrophobicContact CB-CB 4.07Å; V293-A326 PolarHBondContact N-O 2.92Å; V293-N328 HydrophobicContact CG2-CB 4.28Å; V293-F393 HydrophobicContact CG1-CE1 3.9Å; V293-F393 HydrophobicContact CG1-CZ 4.01Å; V293-V395 HydrophobicContact CG1-CG2 3.95Å
294C97.8Very high95Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-153.8-174.8-178.464.50000110.3M70 E71 V292 Y300 Q301 V303 F324M70-C294 HydrophobicContact CE-CB 4.31Å; E71-C294 WeakPolarHBondContact O-CB 3.45Å; V292-C294 PolarHBondContact O-N 2.85Å; C294-Y300 WeakPolarHBondContact O-CA 3.46Å; C294-Q301 PolarHBondContact N-O 2.85Å; C294-Q301 PolarHBondContact O-N 2.93Å; C294-V303 VanDerWaalsContact SG-CG2 3.56Å; C294-F324 HydrophobicContact CB-CD1 4.12Å; C294-F324 HydrophobicContact CB-CE1 4.29Å
295K96.9Very high94.4Very high50 Ų5041.6 Ų41.622%0.21722%0.223CC..EExtended strand (participates in β ladder)trans-119.6135.3173.1-162.9-177.2-166.2-162.40109.2M70 E71 G298 R299 Y300M70-K295 WeakPolarHBondContact CA-O 3.47Å; E71-K295 HydrophobicContact CB-CB 4.22Å; E71-K295 PolarHBondContact N-O 3.49Å; E71-K295 PolarHBondContact O-N 3.13Å; K295-G298 VanDerWaalsContact CE-CA 3.47Å; K295-G298 WeakPolarHBondContact CE-O 3.14Å; K295-R299 CarbonylContact C-O 3.3Å; K295-R299 VanDerWaalsContact CA-O 3.23Å; K295-R299 WeakPolarHBondContact CA-O 3.19Å; K295-R299 WeakPolarHBondContact CG-O 3.45Å; K295-Y300 HydrophobicContact CB-CD1 4.43Å
296V94.4Very high93.8Very high5 Ų542.6 Ų42.63%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-131.1127.5173.3178.90000107.8R69 M70 G298 R299 Q301R69-V296 HydrophobicContact CB-CG1 4.02Å; M70-V296 HydrophobicContact CG-CG2 3.82Å; V296-G298 PolarHBondContact O-N 3.1Å; V296-G298 VanDerWaalsContact O-N 3.15Å; V296-R299 PolarHBondContact N-O 2.91Å; V296-R299 PolarHBondContact O-N 2.99Å; V296-Q301 HydrophobicContact CB-CG 4.31Å; V296-Q301 HydrophobicContact CG2-CG 4.06Å
297D92.8Very high93.3Very high99 Ų9943.4 Ų43.453%0.52924%0.237SC..THydrogen-bonded Turntrans48.941.8-177.9-55.3-45000113.8R69 R299R69-D297 WeakPolarHBondContact CD-OD1 3.46Å; R69-D297 IonicContact CZ-OD2 3.19Å; R69-D297 IonicContact NH1-OD1 3.14Å; R69-D297 IonicContact NH1-OD2 3.3Å; R69-D297 PolarHBondContact NH1-OD2 3.26Å; D297-R299 VanDerWaalsContact C-N 3.31Å; D297-R299 PolarHBondContact O-N 2.94Å
298G94.3Very high93Very high46 Ų4639.8 Ų39.847%0.47421%0.213SC..THydrogen-bonded Turntrans83.6-3.6179.100000115.3K295 V296K295-G298 VanDerWaalsContact CE-CA 3.47Å; K295-G298 WeakPolarHBondContact CE-O 3.14Å; V296-G298 PolarHBondContact O-N 3.1Å; V296-G298 VanDerWaalsContact O-N 3.15Å
299R96.3Very high92.9Very high129 Ų12940.3 Ų40.349%0.48722%0.219SC..EExtended strand (participates in β ladder)trans-114.3140.6-176.6-59.7-175.2178.9-158.6-5.1112.4K295 V296 D297 Q388K295-R299 CarbonylContact C-O 3.3Å; K295-R299 VanDerWaalsContact CA-O 3.23Å; K295-R299 WeakPolarHBondContact CA-O 3.19Å; K295-R299 WeakPolarHBondContact CG-O 3.45Å; V296-R299 PolarHBondContact N-O 2.91Å; V296-R299 PolarHBondContact O-N 2.99Å; D297-R299 VanDerWaalsContact C-N 3.31Å; D297-R299 PolarHBondContact O-N 2.94Å; R299-Q388 HydrophobicContact CB-CB 4.08Å
300Y98.1Very high93Very high36 Ų3641.9 Ų41.914%0.14122%0.218CC..EExtended strand (participates in β ladder)trans-77139176.1-66-75.7000111.3V77 C294 K295 F387 Q388 F393V77-Y300 HydrophobicContact CG2-CE1 4.18Å; V77-Y300 WeakPolarHBondContact CG2-OH 3.21Å; C294-Y300 WeakPolarHBondContact O-CA 3.46Å; K295-Y300 HydrophobicContact CB-CD1 4.43Å; Y300-F387 CarbonylContact O-C 3.48Å; Y300-F387 VanDerWaalsContact O-C 3.3Å; Y300-F387 WeakPolarHBondContact O-CB 3.48Å; Y300-Q388 VanDerWaalsContact O-CA 3.29Å; Y300-Q388 WeakPolarHBondContact O-CA 3.28Å; Y300-Q388 PolarHBondContact O-N 3.09Å; Y300-F393 AromaticContact CD1-CD1 3.58Å; Y300-F393 HydrophobicContact CD1-CD1 3.58Å; Y300-F393 AromaticContact CD1-CE1 3.89Å; Y300-F393 HydrophobicContact CD1-CE1 3.89Å; Y300-F393 HydrophobicContact CD2-CB 3.49Å; Y300-F393 VanDerWaalsContact CD2-CB 3.49Å; Y300-F393 AromaticContact CD2-CD1 3.61Å; Y300-F393 HydrophobicContact CD2-CD1 3.61Å; Y300-F393 AromaticContact CD2-CG 3.8Å; Y300-F393 HydrophobicContact CD2-CG 3.8Å; Y300-F393 HydrophobicContact CE1-CD1 4.09Å; Y300-F393 HydrophobicContact CE2-CB 3.91Å; Y300-F393 HydrophobicContact CE2-CD1 4.11Å; Y300-F393 HydrophobicContact CE2-CG 4.44Å; Y300-F393 HydrophobicContact CG-CB 4.06Å; Y300-F393 AromaticContact CG-CD1 3.3Å; Y300-F393 HydrophobicContact CG-CD1 3.3Å; Y300-F393 AromaticContact CG-CE1 3.87Å; Y300-F393 HydrophobicContact CG-CE1 3.87Å; Y300-F393 AromaticContact CG-CG 3.83Å; Y300-F393 HydrophobicContact CG-CG 3.83Å
301Q96.1Very high93.1Very high43 Ų4344.7 Ų44.720%0.20124%0.243CC..EExtended strand (participates in β ladder)trans-157.6171.4178.657.5-177.255.900110.6V293 C294 V296V293-Q301 WeakPolarHBondContact CA-O 3.38Å; C294-Q301 PolarHBondContact N-O 2.85Å; C294-Q301 PolarHBondContact O-N 2.93Å; V296-Q301 HydrophobicContact CB-CG 4.31Å; V296-Q301 HydrophobicContact CG2-CG 4.06Å
302V97.1Very high93Very high8 Ų845.5 Ų45.55%0.04825%0.247CC..EExtended strand (participates in β ladder)trans-105.4129.4165179.30000107.4V292 V293 N328 F384 F387V292-V302 WeakPolarHBondContact O-CA 3.47Å; V293-V302 HydrophobicContact CG2-CG2 4.06Å; V302-N328 HydrophobicContact CG1-CB 4.11Å; V302-N328 HydrophobicContact CG2-CB 4.27Å; V302-F384 HydrophobicContact CB-CB 4.25Å; V302-F384 HydrophobicContact CB-CD1 4.23Å; V302-F384 HydrophobicContact CB-CD2 3.51Å; V302-F384 HydrophobicContact CB-CE1 4.47Å; V302-F384 HydrophobicContact CB-CE2 3.8Å; V302-F384 HydrophobicContact CB-CG 3.73Å; V302-F384 HydrophobicContact CB-CZ 4.27Å; V302-F384 HydrophobicContact CG1-CD1 4.44Å; V302-F384 HydrophobicContact CG1-CD2 4.31Å; V302-F384 HydrophobicContact CG1-CE1 4.33Å; V302-F384 HydrophobicContact CG1-CE2 4.2Å; V302-F384 HydrophobicContact CG1-CG 4.41Å; V302-F384 HydrophobicContact CG1-CZ 4.2Å; V302-F384 HydrophobicContact CG2-CB 3.69Å; V302-F384 HydrophobicContact CG2-CD1 4.18Å; V302-F384 HydrophobicContact CG2-CD2 3.95Å; V302-F384 HydrophobicContact CG2-CG 3.67Å; V302-F387 HydrophobicContact CG2-CD2 4.03Å; V302-F387 HydrophobicContact CG2-CE2 3.64Å
303V93.5Very high92.9Very high0 Ų045.8 Ų45.80%025%0.25CS..EExtended strand (participates in β ladder)trans-97.6119.1168173.10000107.2M66 M70 G291 V292 C294 E307 I308M66-V303 HydrophobicContact CE-CG1 3.48Å; M66-V303 VanDerWaalsContact CE-CG1 3.48Å; M66-V303 HydrophobicContact CE-CG2 4.21Å; M66-V303 HydrophobicContact SD-CG1 4.33Å; M66-V303 HydrophobicContact SD-CG2 3.99Å; M70-V303 HydrophobicContact CE-CB 3.94Å; M70-V303 HydrophobicContact CE-CG1 4.17Å; M70-V303 HydrophobicContact CE-CG2 3.91Å; M70-V303 HydrophobicContact SD-CB 4.46Å; M70-V303 HydrophobicContact SD-CG1 4.26Å; M70-V303 HydrophobicContact SD-CG2 4.12Å; G291-V303 CarbonylContact C-O 3.53Å; G291-V303 WeakPolarHBondContact CA-O 3.39Å; V292-V303 HydrophobicContact CG2-CB 4.26Å; V292-V303 PolarHBondContact N-O 3.34Å; V292-V303 PolarHBondContact O-N 2.96Å; C294-V303 VanDerWaalsContact SG-CG2 3.56Å; V303-E307 HydrophobicContact CG1-CB 4.31Å; V303-I308 HydrophobicContact CG1-CB 4.13Å
304E90.3Very high92.8Very high29 Ų2950.7 Ų50.714%0.13627%0.273CS..  trans-67.9151.6-178.2-84.1-61.5152.800112S306 E307 I308 F382 F384E304-S306 PolarHBondContact O-N 2.79Å; E304-S306 VanDerWaalsContact O-N 3.12Å; E304-E307 HydrophobicContact CB-CG 4.27Å; E304-E307 PolarHBondContact O-N 2.96Å; E304-I308 PolarHBondContact O-N 3.36Å; E304-F382 HydrophobicContact CG-CD2 4.31Å; E304-F382 HydrophobicContact CG-CE2 3.87Å; E304-F382 HydrophobicContact CG-CZ 4.43Å; E304-F384 HydrophobicContact CG-CE2 4.45Å; E304-F384 HydrophobicContact CG-CZ 3.77Å; E304-F384 WeakPolarHBondContact OE1-CE1 3.28Å; E304-F384 WeakPolarHBondContact OE1-CZ 3.35Å
305Y84.6Confident92.8Very high119 Ų11955.7 Ų55.747%0.46729%0.294SS..THydrogen-bonded Turntrans-62.2-23.6-176.670.6-86.2000113A289 E307 I308A289-Y305 HydrophobicContact CB-CD1 4.17Å; A289-Y305 HydrophobicContact CB-CD2 4Å; A289-Y305 HydrophobicContact CB-CE1 4.2Å; A289-Y305 HydrophobicContact CB-CE2 4.03Å; A289-Y305 HydrophobicContact CB-CG 4.08Å; Y305-E307 VanDerWaalsContact C-N 3.29Å; Y305-I308 WeakPolarHBondContact O-CG2 3.21Å
306S82.8Confident92.8Very high86 Ų8659.6 Ų59.660%0.60131%0.308SS*.THydrogen-bonded Turntrans-79.9-10.3175.451.40000113.7E304E304-S306 PolarHBondContact O-N 2.79Å; E304-S306 VanDerWaalsContact O-N 3.12Å
307E83.9Confident92.8Very high40 Ų4061.4 Ų61.419%0.18732%0.321CS..THydrogen-bonded Turntrans-112.3-5.6-174-59.4178.6176.600112.6M66 V303 E304 Y305 H353M66-E307 HydrophobicContact CE-CB 4.07Å; M66-E307 WeakPolarHBondContact CE-O 3.44Å; V303-E307 HydrophobicContact CG1-CB 4.31Å; E304-E307 HydrophobicContact CB-CG 4.27Å; E304-E307 PolarHBondContact O-N 2.96Å; Y305-E307 VanDerWaalsContact C-N 3.29Å; E307-H353 IonicContact OE1-CE1 3.66Å; E307-H353 IonicContact OE1-ND1 3.88Å; E307-H353 PolarHBondContact OE1-ND1 3.12Å
308I87.3Confident92.8Very high24 Ų2463.2 Ų63.212%0.12334%0.341CS..SBendtrans-97.5137.9177.4-165.4172.9000111M70 V292 V303 E304 Y305 T312 A313M70-I308 HydrophobicContact CE-CD1 4.06Å; V292-I308 HydrophobicContact CG2-CD1 4.03Å; V303-I308 HydrophobicContact CG1-CB 4.13Å; E304-I308 PolarHBondContact O-N 3.36Å; Y305-I308 WeakPolarHBondContact O-CG2 3.21Å; I308-T312 HydrophobicContact CD1-CG2 3.92Å; I308-T312 HydrophobicContact CG1-CG2 3.93Å; I308-A313 HydrophobicContact CD1-CB 4.26Å; I308-A313 HydrophobicContact CG2-CB 4.42Å
309T90.8Very high92.7Very high47 Ų4765.2 Ų65.229%0.28834%0.341SS..  trans-74.3155173.371.90000111.6D67 A311 T312 A313D67-T309 VanDerWaalsContact OD2-CB 3.22Å; D67-T309 WeakPolarHBondContact OD2-CB 3.44Å; D67-T309 VanDerWaalsContact OD2-CG2 3.26Å; D67-T309 WeakPolarHBondContact OD2-CG2 3.45Å; D67-T309 PolarHBondContact OD2-N 2.95Å; D67-T309 PolarHBondContact OD2-OG1 3.19Å; T309-A311 VanDerWaalsContact C-N 3.27Å; T309-A311 PolarHBondContact O-N 2.94Å; T309-T312 PolarHBondContact O-N 3.47Å; T309-T312 PolarHBondContact OG1-N 2.85Å; T309-T312 PolarHBondContact OG1-OG1 3.36Å; T309-A313 WeakPolarHBondContact O-CB 3.48Å; T309-A313 PolarHBondContact O-N 3.24Å
310L92.6Very high92.6Very high99 Ų9960.9 Ų60.952%0.51834%0.337SS..Hα-helixtrans-59.5-39.5177.3-175.962000111.9T287 T312 A313 E314T287-L310 HydrophobicContact CG2-CD1 4.09Å; L310-T312 VanDerWaalsContact C-N 3.32Å; L310-T312 PolarHBondContact O-N 3.09Å; L310-A313 PolarHBondContact O-N 2.88Å; L310-E314 HydrophobicContact CD1-CG 3.94Å; L310-E314 HydrophobicContact CG-CG 4.21Å; L310-E314 WeakPolarHBondContact O-CB 3.5Å; L310-E314 WeakPolarHBondContact O-CG 3.26Å; L310-E314 PolarHBondContact O-N 3.16Å
311A94.1Very high92.5Very high74 Ų7464.9 Ų64.961%0.61235%0.352SS*.Hα-helixtrans-60.4-41.2179.800000112.1T309 K315T309-A311 VanDerWaalsContact C-N 3.27Å; T309-A311 PolarHBondContact O-N 2.94Å; A311-K315 PolarHBondContact O-N 3.3Å
312T94.6Very high92.5Very high18 Ų1863 Ų6311%0.1134%0.343CS..Hα-helixtrans-71.7-40.5175.7-58.50000111.5D67 M70 I308 T309 L310 E314 K315 F324D67-T312 WeakPolarHBondContact CB-OG1 3.45Å; D67-T312 WeakPolarHBondContact OD2-CB 3.46Å; D67-T312 PolarHBondContact OD2-OG1 2.96Å; M70-T312 HydrophobicContact CE-CG2 4.45Å; M70-T312 HydrophobicContact SD-CG2 4.2Å; I308-T312 HydrophobicContact CD1-CG2 3.92Å; I308-T312 HydrophobicContact CG1-CG2 3.93Å; T309-T312 PolarHBondContact O-N 3.47Å; T309-T312 PolarHBondContact OG1-N 2.85Å; T309-T312 PolarHBondContact OG1-OG1 3.36Å; L310-T312 VanDerWaalsContact C-N 3.32Å; L310-T312 PolarHBondContact O-N 3.09Å; T312-E314 VanDerWaalsContact C-N 3.29Å; T312-E314 PolarHBondContact O-N 2.87Å; T312-K315 VanDerWaalsContact O-CB 3.28Å; T312-K315 WeakPolarHBondContact O-CB 3.49Å; T312-K315 PolarHBondContact O-N 3.48Å; T312-F324 HydrophobicContact CG2-CD2 3.73Å; T312-F324 HydrophobicContact CG2-CE2 3.44Å; T312-F324 VanDerWaalsContact CG2-CE2 3.44Å; T312-F324 HydrophobicContact CG2-CZ 4.26Å
313A95.1Very high92.5Very high9 Ų964.7 Ų64.77%0.07435%0.351CS..Hα-helixtrans-64.4-31.5178.300000113.3P286 I308 T309 L310P286-A313 HydrophobicContact CB-CB 4.4Å; I308-A313 HydrophobicContact CD1-CB 4.26Å; I308-A313 HydrophobicContact CG2-CB 4.42Å; T309-A313 WeakPolarHBondContact O-CB 3.48Å; T309-A313 PolarHBondContact O-N 3.24Å; L310-A313 PolarHBondContact O-N 2.88Å
314E96.8Very high92.7Very high103 Ų10365.2 Ų65.248%0.48135%0.353SS..Hα-helixtrans-86.1-11.2177.5-70.6179.9157.400113.7P286 L310 T312 R316P286-E314 HydrophobicContact CB-CG 3.75Å; P286-E314 HydrophobicContact CG-CG 3.95Å; L310-E314 HydrophobicContact CD1-CG 3.94Å; L310-E314 HydrophobicContact CG-CG 4.21Å; L310-E314 WeakPolarHBondContact O-CB 3.5Å; L310-E314 WeakPolarHBondContact O-CG 3.26Å; L310-E314 PolarHBondContact O-N 3.16Å; T312-E314 VanDerWaalsContact C-N 3.29Å; T312-E314 PolarHBondContact O-N 2.87Å; E314-R316 PolarHBondContact O-N 3.1Å
315K96.4Very high93Very high105 Ų10565.1 Ų65.146%0.45736%0.356SS..  trans-60.2132.6-177.2-166.1174.2-177.5-169.80110.4A311 T312 M323A311-K315 PolarHBondContact O-N 3.3Å; T312-K315 VanDerWaalsContact O-CB 3.28Å; T312-K315 WeakPolarHBondContact O-CB 3.49Å; T312-K315 PolarHBondContact O-N 3.48Å; K315-M323 HydrophobicContact CB-CB 4.3Å; K315-M323 HydrophobicContact CD-CE 4.09Å; K315-M323 HydrophobicContact CD-SD 3.5Å; K315-M323 WeakPolarHBondContact CD-SD 3.38Å; K315-M323 WeakPolarHBondContact CE-SD 3.15Å; K315-M323 HydrophobicContact CG-CB 4.19Å; K315-M323 HydrophobicContact CG-CE 4.13Å; K315-M323 HydrophobicContact CG-SD 3.98Å; K315-M323 WeakPolarHBondContact O-CB 3.35Å; K315-M323 PolarHBondContact O-N 3Å
316R97.1Very high93.7Very high132 Ų13260 Ų6050%0.49834%0.338SS..BIsolated β-bridgetrans-114.8149.1-179-69.9179.1-175.2-79.1-5.7112.3E314 G320 R321 L322E314-R316 PolarHBondContact O-N 3.1Å; R316-G320 WeakPolarHBondContact CD-O 3.47Å; R316-G320 PolarHBondContact NH1-O 3.34Å; R316-R321 CarbonylContact C-O 3.55Å; R316-R321 WeakPolarHBondContact CA-O 3.42Å; R316-R321 WeakPolarHBondContact CB-O 3.48Å; R316-L322 HydrophobicContact CG-CD2 4.09Å
317S93.6Very high94.4Very high43 Ų4355.9 Ų55.930%0.30131%0.309SS..  trans-78.8169.7168.3-68.50000110.6D319 G320 R321S317-D319 VanDerWaalsContact CB-OD1 3.28Å; S317-D319 WeakPolarHBondContact CB-OD1 3.41Å; S317-D319 PolarHBondContact O-N 3.29Å; S317-D319 VanDerWaalsContact O-N 3.14Å; S317-G320 PolarHBondContact O-N 2.92Å; S317-R321 PolarHBondContact N-O 2.88Å
318S93.5Very high95.1Very high137 Ų13754.7 Ų54.796%0.95830%0.304SS*.THydrogen-bonded Turntrans-62.4-19.4-179.8560000114.3G320S318-G320 VanDerWaalsContact C-N 3.31Å
319D91.9Very high95.6Very high88 Ų8853.8 Ų53.847%0.47130%0.3SS..THydrogen-bonded Turntrans-87.84175.863.72.3000113.4S317 R321S317-D319 VanDerWaalsContact CB-OD1 3.28Å; S317-D319 WeakPolarHBondContact CB-OD1 3.41Å; S317-D319 PolarHBondContact O-N 3.29Å; S317-D319 VanDerWaalsContact O-N 3.14Å; D319-R321 VanDerWaalsContact C-N 3.29Å; D319-R321 PolarHBondContact O-N 3.42Å; D319-R321 WeakPolarHBondContact OD1-CB 3.29Å; D319-R321 PolarHBondContact OD1-N 2.98Å; D319-R321 VanDerWaalsContact OD1-N 3.11Å
320G94.9Very high95.9Very high39 Ų3952.6 Ų52.640%0.40229%0.294SS..SBendtrans83.3-7.3178.400000114.9R316 S317 S318R316-G320 WeakPolarHBondContact CD-O 3.47Å; R316-G320 PolarHBondContact NH1-O 3.34Å; S317-G320 PolarHBondContact O-N 2.92Å; S318-G320 VanDerWaalsContact C-N 3.31Å
321R95.3Very high96.2Very high120 Ų12048 Ų4845%0.45327%0.27SS..SBendtrans-72.2159.3174-62.5176.8-178.4-107.20.7110.6E282 R316 S317 D319 M323E282-R321 IonicContact OE1-CZ 3.62Å; E282-R321 IonicContact OE1-NE 3.92Å; E282-R321 IonicContact OE1-NH1 3.96Å; E282-R321 PolarHBondContact OE1-NH1 2.83Å; E282-R321 IonicContact OE2-CZ 3.98Å; E282-R321 IonicContact OE2-NH1 2.68Å; E282-R321 PolarHBondContact OE2-NH1 3.19Å; R316-R321 CarbonylContact C-O 3.55Å; R316-R321 WeakPolarHBondContact CA-O 3.42Å; R316-R321 WeakPolarHBondContact CB-O 3.48Å; S317-R321 PolarHBondContact N-O 2.88Å; D319-R321 VanDerWaalsContact C-N 3.29Å; D319-R321 PolarHBondContact O-N 3.42Å; D319-R321 WeakPolarHBondContact OD1-CB 3.29Å; D319-R321 PolarHBondContact OD1-N 2.98Å; D319-R321 VanDerWaalsContact OD1-N 3.11Å; R321-M323 PolarHBondContact O-N 3.43Å
322L97.5Very high96.5Very high4 Ų444.4 Ų44.42%0.02124%0.241CC..BIsolated β-bridgetrans-61.6137170-62.8-175.2000109.2K283 P286 R316 F324 S325K283-L322 HydrophobicContact CG-CD1 4.17Å; K283-L322 WeakPolarHBondContact O-CD1 3.3Å; P286-L322 HydrophobicContact CG-CD1 4.32Å; P286-L322 HydrophobicContact CG-CD2 4.03Å; R316-L322 HydrophobicContact CG-CD2 4.09Å; L322-F324 VanDerWaalsContact C-N 3.26Å; L322-F324 PolarHBondContact O-N 3.11Å; L322-S325 WeakPolarHBondContact O-CB 3.18Å
323M96.8Very high96.7Very high43 Ų4343.6 Ų43.621%0.21224%0.236CC..THydrogen-bonded Turntrans-62.2-40.1177.8-179.7168.3-69.700110.6P72 K315 R321P72-M323 HydrophobicContact CB-CG 4.3Å; P72-M323 WeakPolarHBondContact CB-O 3.36Å; P72-M323 HydrophobicContact CG-CG 4.26Å; K315-M323 HydrophobicContact CB-CB 4.3Å; K315-M323 HydrophobicContact CD-CE 4.09Å; K315-M323 HydrophobicContact CD-SD 3.5Å; K315-M323 WeakPolarHBondContact CD-SD 3.38Å; K315-M323 WeakPolarHBondContact CE-SD 3.15Å; K315-M323 HydrophobicContact CG-CB 4.19Å; K315-M323 HydrophobicContact CG-CE 4.13Å; K315-M323 HydrophobicContact CG-SD 3.98Å; K315-M323 WeakPolarHBondContact O-CB 3.35Å; K315-M323 PolarHBondContact O-N 3Å; R321-M323 PolarHBondContact O-N 3.43Å
324F97.2Very high96.9Very high10 Ų1043.1 Ų43.14%0.04423%0.232CC..THydrogen-bonded Turntrans-103.769.9174.9-58.2-77.7000109.9M70 V292 C294 T312 L322M70-F324 HydrophobicContact CB-CE1 3.72Å; M70-F324 HydrophobicContact CB-CZ 3.63Å; M70-F324 HydrophobicContact CE-CD1 3.99Å; M70-F324 HydrophobicContact CE-CE1 4.01Å; M70-F324 HydrophobicContact CE-CG 4.34Å; M70-F324 HydrophobicContact CE-CZ 4.38Å; V292-F324 HydrophobicContact CB-CB 4.28Å; V292-F324 HydrophobicContact CG1-CB 4.36Å; V292-F324 WeakPolarHBondContact CG1-O 3.42Å; V292-F324 HydrophobicContact CG2-CB 4.2Å; C294-F324 HydrophobicContact CB-CD1 4.12Å; C294-F324 HydrophobicContact CB-CE1 4.29Å; T312-F324 HydrophobicContact CG2-CD2 3.73Å; T312-F324 HydrophobicContact CG2-CE2 3.44Å; T312-F324 VanDerWaalsContact CG2-CE2 3.44Å; T312-F324 HydrophobicContact CG2-CZ 4.26Å; L322-F324 VanDerWaalsContact C-N 3.26Å; L322-F324 PolarHBondContact O-N 3.11Å
325S97.1Very high97Very high27 Ų2738.7 Ų38.719%0.18921%0.213CC..  trans-93-8.2-176.2600000114.8K283 L322 G327K283-S325 WeakPolarHBondContact CB-O 3.38Å; K283-S325 PolarHBondContact N-O 3.17Å; L322-S325 WeakPolarHBondContact O-CB 3.18Å; S325-G327 VanDerWaalsContact C-N 3.34Å; S325-G327 PolarHBondContact O-N 3Å
326A98.3Very high97.1Very high11 Ų1134.6 Ų34.69%0.09120%0.195CC..EExtended strand (participates in β ladder)trans-77.979.4-176.800000111.4V73 V280 V292 V293 N328V73-A326 HydrophobicContact CG2-CB 4.13Å; V280-A326 HydrophobicContact CB-CB 4.41Å; V280-A326 HydrophobicContact CG1-CB 4.26Å; V280-A326 HydrophobicContact CG2-CB 4.21Å; V292-A326 WeakPolarHBondContact CA-O 3.42Å; V293-A326 HydrophobicContact CB-CB 4.07Å; V293-A326 PolarHBondContact N-O 2.92Å; A326-N328 PolarHBondContact O-N 3.19Å
327G98.3Very high97.1Very high0 Ų031.1 Ų31.10%019%0.191CC..EExtended strand (participates in β ladder)trans-72.4117.1-178.100000112.2V280 V281 S325 V329V280-G327 CarbonylContact C-O 3.57Å; V280-G327 WeakPolarHBondContact CA-O 3.48Å; V280-G327 VanDerWaalsContact CB-O 3.25Å; V280-G327 WeakPolarHBondContact CB-O 3.41Å; V281-G327 PolarHBondContact N-O 3.42Å; V281-G327 WeakPolarHBondContact O-CA 3.36Å; V281-G327 PolarHBondContact O-N 2.64Å; S325-G327 VanDerWaalsContact C-N 3.34Å; S325-G327 PolarHBondContact O-N 3Å; G327-V329 PolarHBondContact O-N 3.45Å
328N98.4Very high97.4Very high15 Ų1529.3 Ų29.38%0.0818%0.178CC..EExtended strand (participates in β ladder)trans-66.4122.8178.6175.734.1000110.8G291 V293 V302 A326 A330 H332 F384G291-N328 WeakPolarHBondContact O-CB 3.08Å; G291-N328 PolarHBondContact O-N 3.25Å; V293-N328 HydrophobicContact CG2-CB 4.28Å; V302-N328 HydrophobicContact CG1-CB 4.11Å; V302-N328 HydrophobicContact CG2-CB 4.27Å; A326-N328 PolarHBondContact O-N 3.19Å; N328-A330 PolarHBondContact OD1-N 2.91Å; N328-H332 PolarHBondContact OD1-NE2 3.21Å; N328-F384 WeakPolarHBondContact ND2-CD1 3.45Å
329V97.8Very high97.6Very high6 Ų622.8 Ų22.84%0.03613%0.132CC..EExtended strand (participates in β ladder)trans-104.517.6176.9-59.20000113.2K279 V281 G327 N331 F404K279-V329 HydrophobicContact CB-CG2 4.42Å; K279-V329 HydrophobicContact CG-CG2 4.22Å; K279-V329 WeakPolarHBondContact O-CG2 3.18Å; V281-V329 HydrophobicContact CB-CG1 4.13Å; V281-V329 HydrophobicContact CG1-CG1 3.75Å; V281-V329 HydrophobicContact CG2-CG1 3.52Å; G327-V329 PolarHBondContact O-N 3.45Å; V329-N331 VanDerWaalsContact C-N 3.3Å; V329-N331 HydrophobicContact CG2-CB 4.2Å; V329-N331 PolarHBondContact O-N 3.11Å; V329-N331 PolarHBondContact O-ND2 3.22Å; V329-F404 HydrophobicContact CB-CD2 3.57Å; V329-F404 HydrophobicContact CB-CE2 3.77Å; V329-F404 HydrophobicContact CB-CG 4.04Å; V329-F404 HydrophobicContact CB-CZ 4.38Å; V329-F404 HydrophobicContact CG1-CB 4.05Å; V329-F404 HydrophobicContact CG1-CD1 3.78Å; V329-F404 HydrophobicContact CG1-CD2 3.6Å; V329-F404 HydrophobicContact CG1-CE1 4.05Å; V329-F404 HydrophobicContact CG1-CE2 3.89Å; V329-F404 HydrophobicContact CG1-CG 3.54Å; V329-F404 HydrophobicContact CG1-CZ 4.1Å
330A97.4Very high97.9Very high21 Ų2122.9 Ų22.917%0.17413%0.126CC..EExtended strand (participates in β ladder)trans52.745.2-179.900000113.2Y251 C252 N328Y251-A330 VanDerWaalsContact CA-O 3.3Å; Y251-A330 WeakPolarHBondContact CA-O 3.28Å; C252-A330 HydrophobicContact CB-CB 3.89Å; C252-A330 PolarHBondContact N-O 2.82Å; C252-A330 VanDerWaalsContact N-O 3.17Å; N328-A330 PolarHBondContact OD1-N 2.91Å
331N98.8Very high98.1Very high2 Ų222.5 Ų22.51%0.01112%0.115CC..EExtended strand (participates in β ladder)trans-127.1112.4172.8-81.2-107.3000108H249 V250 V258 K279 V329H249-N331 PolarHBondContact NE2-OD1 3.09Å; H249-N331 VanDerWaalsContact NE2-OD1 3.14Å; V250-N331 CarbonylContact O-C 3.52Å; V250-N331 WeakPolarHBondContact O-CA 3.38Å; V258-N331 VanDerWaalsContact CG2-OD1 3.27Å; V258-N331 WeakPolarHBondContact CG2-OD1 3.49Å; K279-N331 HydrophobicContact CB-CB 3.86Å; K279-N331 WeakPolarHBondContact CB-O 3.29Å; K279-N331 HydrophobicContact CD-CB 4.26Å; K279-N331 PolarHBondContact N-O 3.42Å; V329-N331 VanDerWaalsContact C-N 3.3Å; V329-N331 HydrophobicContact CG2-CB 4.2Å; V329-N331 PolarHBondContact O-N 3.11Å; V329-N331 PolarHBondContact O-ND2 3.22Å
332H98.9Very high98.2Very high0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-130145.7-168.8-48132.9000111H249 V250 G277 N328 F334 F387H249-H332 CarbonylContact C-O 3.52Å; H249-H332 WeakPolarHBondContact CA-O 3.24Å; H249-H332 PolarHBondContact CD2-O 3.4Å; V250-H332 HydrophobicContact CB-CB 4.41Å; V250-H332 PolarHBondContact N-O 3.47Å; V250-H332 PolarHBondContact O-N 2.91Å; G277-H332 CarbonylContact O-C 3.57Å; G277-H332 VanDerWaalsContact O-CA 3.27Å; G277-H332 WeakPolarHBondContact O-CA 3.21Å; N328-H332 PolarHBondContact OD1-NE2 3.21Å; H332-F334 HydrophobicContact CB-CE1 4.1Å; H332-F334 HydrophobicContact CB-CE2 4.2Å; H332-F334 HydrophobicContact CB-CZ 3.72Å; H332-F387 AromaticContact CD2-CZ 3.51Å; H332-F387 AromaticContact CG-CZ 3.96Å; H332-F387 AromaticContact NE2-CZ 3.65Å
333F98.9Very high98.3Very high0 Ų017.9 Ų17.90%010%0.1CC..EExtended strand (participates in β ladder)trans-105.9131.4171.8171.9-82.7000108.4F247 I248 F265 I266 C269 V270 A274 C276 G277F247-F333 HydrophobicContact CB-CE2 3.66Å; F247-F333 HydrophobicContact CB-CZ 4.04Å; F247-F333 HydrophobicContact CD1-CE1 4.27Å; F247-F333 AromaticContact CD1-CE2 3.79Å; F247-F333 HydrophobicContact CD1-CE2 3.79Å; F247-F333 AromaticContact CD1-CZ 3.29Å; F247-F333 HydrophobicContact CD1-CZ 3.29Å; F247-F333 AromaticContact CE1-CZ 3.98Å; F247-F333 HydrophobicContact CE1-CZ 3.98Å; F247-F333 AromaticContact CG-CE2 3.86Å; F247-F333 HydrophobicContact CG-CE2 3.86Å; F247-F333 AromaticContact CG-CZ 3.87Å; F247-F333 HydrophobicContact CG-CZ 3.87Å; I248-F333 WeakPolarHBondContact O-CA 3.48Å; F265-F333 HydrophobicContact CE1-CB 3.77Å; F265-F333 HydrophobicContact CE2-CB 4.45Å; F265-F333 HydrophobicContact CZ-CB 3.66Å; I266-F333 HydrophobicContact CG1-CD2 4.42Å; I266-F333 HydrophobicContact CG2-CE2 4.28Å; C269-F333 HydrophobicContact CB-CB 4.3Å; C269-F333 HydrophobicContact CB-CD1 3.6Å; C269-F333 HydrophobicContact CB-CD2 3.72Å; C269-F333 HydrophobicContact CB-CE1 3.68Å; C269-F333 HydrophobicContact CB-CE2 3.76Å; C269-F333 HydrophobicContact CB-CG 3.61Å; C269-F333 HydrophobicContact CB-CZ 3.73Å; V270-F333 HydrophobicContact CG2-CE2 4.17Å; V270-F333 HydrophobicContact CG2-CZ 4.06Å; A274-F333 WeakPolarHBondContact O-CE1 3.07Å; C276-F333 CarbonylContact C-O 3.58Å; C276-F333 VanDerWaalsContact CA-O 3.29Å; C276-F333 WeakPolarHBondContact CA-O 3.28Å; G277-F333 PolarHBondContact N-O 3.36Å; G277-F333 PolarHBondContact O-N 2.83Å
334F98.9Very high98.2Very high0 Ų022.5 Ų22.50%012%0.121CC..EExtended strand (participates in β ladder)trans-127.9134.6169-56.3-46.6000110I248 V250 C276 H332 F338 L339 I386 F387I248-F334 PolarHBondContact N-O 3.22Å; I248-F334 PolarHBondContact O-N 2.86Å; V250-F334 HydrophobicContact CB-CD2 4.44Å; V250-F334 HydrophobicContact CB-CE2 4.1Å; V250-F334 HydrophobicContact CG2-CD2 3.46Å; V250-F334 VanDerWaalsContact CG2-CD2 3.46Å; V250-F334 HydrophobicContact CG2-CE2 3.51Å; C276-F334 HydrophobicContact CB-CD1 4.35Å; C276-F334 WeakPolarHBondContact SG-CE1 3.44Å; H332-F334 HydrophobicContact CB-CE1 4.1Å; H332-F334 HydrophobicContact CB-CE2 4.2Å; H332-F334 HydrophobicContact CB-CZ 3.72Å; F334-F338 HydrophobicContact CB-CD1 4.26Å; F334-F338 AromaticContact CD1-CD1 3.81Å; F334-F338 HydrophobicContact CD1-CD1 3.81Å; F334-F338 AromaticContact CD1-CE1 3.68Å; F334-F338 HydrophobicContact CD1-CE1 3.68Å; F334-F338 HydrophobicContact CE1-CE1 4.08Å; F334-F338 HydrophobicContact CG-CD1 4.31Å; F334-F338 HydrophobicContact CG-CE1 4.49Å; F334-L339 HydrophobicContact CB-CB 4.44Å; F334-L339 HydrophobicContact CD2-CD1 4.23Å; F334-I386 HydrophobicContact CD1-CD1 4.22Å; F334-I386 HydrophobicContact CE1-CD1 3.7Å; F334-I386 HydrophobicContact CE1-CG1 4.29Å; F334-I386 HydrophobicContact CE2-CD1 4.11Å; F334-I386 HydrophobicContact CZ-CD1 3.66Å; F334-I386 HydrophobicContact CZ-CG1 4.27Å; F334-F387 HydrophobicContact CE1-CD1 4.42Å; F334-F387 HydrophobicContact CE1-CE1 4.02Å; F334-F387 HydrophobicContact CZ-CE1 4.24Å
335S98.9Very high98.2Very high10 Ų1027.2 Ų27.27%0.0714%0.143CC..EExtended strand (participates in β ladder)trans-68.4147.7161.972.30000109.7K246 D275 S337 F338 L339K246-S335 CarbonylContact O-C 3.46Å; K246-S335 WeakPolarHBondContact O-CA 3.35Å; D275-S335 PolarHBondContact O-N 2.96Å; D275-S335 PolarHBondContact O-OG 2.99Å; S335-S337 VanDerWaalsContact C-N 3.26Å; S335-S337 PolarHBondContact O-N 2.98Å; S335-S337 PolarHBondContact OG-OG 3.45Å; S335-F338 PolarHBondContact O-N 3.36Å; S335-F338 WeakPolarHBondContact OG-CB 3.43Å; S335-F338 PolarHBondContact OG-N 2.95Å; S335-L339 PolarHBondContact O-N 3.36Å
336F98.8Very high98.3Very high18 Ų1828 Ų288%0.07914%0.142CC..Hα-helixtrans-57.2-40.9176.8173.1-98.2000111.9L237 M240 Q241 K246 I248 L339 R340L237-F336 HydrophobicContact CB-CE2 4.5Å; L237-F336 HydrophobicContact CD2-CE2 4.31Å; L237-F336 WeakPolarHBondContact O-CE2 3.34Å; M240-F336 HydrophobicContact CB-CD2 3.89Å; M240-F336 HydrophobicContact CB-CE2 3.73Å; M240-F336 HydrophobicContact SD-CD2 4.44Å; Q241-F336 HydrophobicContact CB-CE1 4.28Å; Q241-F336 HydrophobicContact CB-CE2 4.27Å; Q241-F336 HydrophobicContact CB-CZ 3.67Å; Q241-F336 HydrophobicContact CG-CE1 4.43Å; Q241-F336 HydrophobicContact CG-CZ 4.27Å; K246-F336 PolarHBondContact O-N 3.4Å; I248-F336 HydrophobicContact CD1-CB 3.99Å; F336-L339 PolarHBondContact O-N 3.31Å; F336-R340 WeakPolarHBondContact O-CB 3.23Å; F336-R340 PolarHBondContact O-N 3.47Å
337S98.6Very high98.1Very high60 Ų6028.6 Ų28.642%0.4214%0.143SC..Hα-helixtrans-61-45.4177.542.10000112.2S335 R340 D341S335-S337 VanDerWaalsContact C-N 3.26Å; S335-S337 PolarHBondContact O-N 2.98Å; S335-S337 PolarHBondContact OG-OG 3.45Å; S337-R340 PolarHBondContact O-N 3.01Å; S337-D341 PolarHBondContact O-N 3.48Å
338F98.8Very high97.9Very high5 Ų533.5 Ų33.52%0.02218%0.175CC..Hα-helixtrans-64.2-45.1178.1174.4-117.6000111.8D275 C276 F334 S335 R340 D341 V342 I386 F389 A390D275-F338 HydrophobicContact CB-CB 4.01Å; D275-F338 HydrophobicContact CB-CG 4.45Å; D275-F338 WeakPolarHBondContact O-CD1 3.26Å; C276-F338 HydrophobicContact CB-CD1 4.06Å; C276-F338 HydrophobicContact CB-CE1 3.7Å; C276-F338 HydrophobicContact CB-CZ 4.21Å; F334-F338 HydrophobicContact CB-CD1 4.26Å; F334-F338 AromaticContact CD1-CD1 3.81Å; F334-F338 HydrophobicContact CD1-CD1 3.81Å; F334-F338 AromaticContact CD1-CE1 3.68Å; F334-F338 HydrophobicContact CD1-CE1 3.68Å; F334-F338 HydrophobicContact CE1-CE1 4.08Å; F334-F338 HydrophobicContact CG-CD1 4.31Å; F334-F338 HydrophobicContact CG-CE1 4.49Å; S335-F338 PolarHBondContact O-N 3.36Å; S335-F338 WeakPolarHBondContact OG-CB 3.43Å; S335-F338 PolarHBondContact OG-N 2.95Å; F338-R340 VanDerWaalsContact C-N 3.28Å; F338-R340 PolarHBondContact O-N 3.05Å; F338-D341 PolarHBondContact O-N 3.41Å; F338-V342 HydrophobicContact CD2-CG2 4.27Å; F338-V342 HydrophobicContact CE1-CG2 4.26Å; F338-V342 HydrophobicContact CE2-CG2 3.86Å; F338-V342 HydrophobicContact CZ-CG2 3.86Å; F338-V342 WeakPolarHBondContact O-CG2 3.4Å; F338-V342 PolarHBondContact O-N 2.94Å; F338-I386 HydrophobicContact CE1-CD1 3.65Å; F338-I386 HydrophobicContact CE1-CG1 4.27Å; F338-I386 HydrophobicContact CZ-CB 4.34Å; F338-I386 HydrophobicContact CZ-CD1 4.02Å; F338-I386 HydrophobicContact CZ-CG1 4.27Å; F338-I386 WeakPolarHBondContact CZ-O 3.39Å; F338-F389 HydrophobicContact CE2-CB 4.1Å; F338-A390 HydrophobicContact CE2-CB 4.26Å; F338-A390 HydrophobicContact CZ-CB 4.18Å
339L98.3Very high97.6Very high0 Ų037.8 Ų37.80%019%0.194CC..Hα-helixtrans-61.7-38.3178.3-17060.8000111.9Y228 L231 L237 M240 I248 F334 S335 F336 V342 V343Y228-L339 HydrophobicContact CD1-CD1 3.96Å; Y228-L339 HydrophobicContact CE1-CD1 3.92Å; L231-L339 HydrophobicContact CD1-CD1 3.77Å; L231-L339 HydrophobicContact CD1-CD2 3.81Å; L231-L339 HydrophobicContact CD1-CG 3.89Å; L237-L339 HydrophobicContact CD2-CD2 4.2Å; L237-L339 HydrophobicContact CD2-CG 4.14Å; M240-L339 HydrophobicContact SD-CD2 4.26Å; I248-L339 HydrophobicContact CD1-CD2 4.25Å; I248-L339 HydrophobicContact CG1-CD2 4.23Å; F334-L339 HydrophobicContact CB-CB 4.44Å; F334-L339 HydrophobicContact CD2-CD1 4.23Å; S335-L339 PolarHBondContact O-N 3.36Å; F336-L339 PolarHBondContact O-N 3.31Å; L339-V342 PolarHBondContact O-N 2.66Å; L339-V343 WeakPolarHBondContact O-CG2 3.4Å; L339-V343 PolarHBondContact O-N 3.22Å; L339-V343 VanDerWaalsContact O-N 3.09Å
340R98.4Very high97.4Very high90 Ų9037.9 Ų37.934%0.3419%0.194SC..Hα-helixtrans-64-47.5174.2-176.4-168.766-176.60.2111.9L237 F336 S337 F338 V342 V343 Q344L237-R340 HydrophobicContact CD1-CB 4.39Å; L237-R340 HydrophobicContact CD1-CG 4.37Å; F336-R340 WeakPolarHBondContact O-CB 3.23Å; F336-R340 PolarHBondContact O-N 3.47Å; S337-R340 PolarHBondContact O-N 3.01Å; F338-R340 VanDerWaalsContact C-N 3.28Å; F338-R340 PolarHBondContact O-N 3.05Å; R340-V342 VanDerWaalsContact C-N 3.28Å; R340-V342 PolarHBondContact O-N 3.47Å; R340-V343 PolarHBondContact O-N 3.49Å; R340-Q344 HydrophobicContact CG-CG 4.38Å; R340-Q344 WeakPolarHBondContact O-CB 3.42Å; R340-Q344 WeakPolarHBondContact O-CG 3.26Å; R340-Q344 PolarHBondContact O-N 2.98Å
341D98.6Very high97.1Very high31 Ų3141.9 Ų41.917%0.16621%0.21CC..Hα-helixtrans-61.2-39.4178.6-63-4.7000110.4S337 F338 Q344 E345 Y346S337-D341 PolarHBondContact O-N 3.48Å; F338-D341 PolarHBondContact O-N 3.41Å; D341-Q344 PolarHBondContact O-N 2.9Å; D341-E345 WeakPolarHBondContact O-CB 3.46Å; D341-E345 PolarHBondContact O-N 3.32Å; D341-Y346 HydrophobicContact CB-CE2 4.02Å
342V98.4Very high96.8Very high0 Ų042.4 Ų42.40%021%0.212CC..Iπ-helixtrans-57.6-51.2172.9167.30000112.2Y228 F338 L339 R340 Q344 Y346 E347 I386Y228-V342 HydrophobicContact CD1-CG1 3.48Å; Y228-V342 VanDerWaalsContact CD1-CG1 3.48Å; Y228-V342 HydrophobicContact CD2-CG1 4.22Å; Y228-V342 HydrophobicContact CE1-CG1 3.9Å; Y228-V342 HydrophobicContact CG-CG1 3.66Å; F338-V342 HydrophobicContact CD2-CG2 4.27Å; F338-V342 HydrophobicContact CE1-CG2 4.26Å; F338-V342 HydrophobicContact CE2-CG2 3.86Å; F338-V342 HydrophobicContact CZ-CG2 3.86Å; F338-V342 WeakPolarHBondContact O-CG2 3.4Å; F338-V342 PolarHBondContact O-N 2.94Å; L339-V342 PolarHBondContact O-N 2.66Å; R340-V342 VanDerWaalsContact C-N 3.28Å; R340-V342 PolarHBondContact O-N 3.47Å; V342-Q344 VanDerWaalsContact C-N 3.3Å; V342-Q344 PolarHBondContact O-N 3Å; V342-Y346 HydrophobicContact CG2-CD2 4.15Å; V342-Y346 PolarHBondContact O-N 2.99Å; V342-Y346 VanDerWaalsContact O-N 3.11Å; V342-E347 WeakPolarHBondContact O-CB 3.22Å; V342-E347 PolarHBondContact O-N 3.39Å; V342-I386 HydrophobicContact CG1-CB 4.36Å; V342-I386 HydrophobicContact CG1-CD1 4.33Å; V342-I386 HydrophobicContact CG1-CG2 3.61Å; V342-I386 HydrophobicContact CG2-CB 4.06Å; V342-I386 HydrophobicContact CG2-CD1 3.99Å; V342-I386 HydrophobicContact CG2-CG2 4.19Å
343V97.8Very high96.4Very high27 Ų2744.2 Ų44.216%0.16422%0.221CC..Iπ-helixtrans-65.8-34.7-178.3172.40000111.9Y228 L231 L237 L339 R340Y228-V343 WeakPolarHBondContact O-CG2 3.48Å; L231-V343 HydrophobicContact CB-CG2 4.04Å; L231-V343 HydrophobicContact CD1-CG2 4.27Å; L237-V343 HydrophobicContact CD1-CB 3.66Å; L237-V343 HydrophobicContact CD1-CG1 3.74Å; L237-V343 HydrophobicContact CD1-CG2 3.82Å; L237-V343 HydrophobicContact CG-CG2 4.49Å; L339-V343 WeakPolarHBondContact O-CG2 3.4Å; L339-V343 PolarHBondContact O-N 3.22Å; L339-V343 VanDerWaalsContact O-N 3.09Å; R340-V343 PolarHBondContact O-N 3.49Å
344Q96.5Very high95.9Very high140 Ų14046.3 Ų46.365%0.65423%0.233SC*.Iπ-helixtrans-88-28.5-174.2-68.2179.6-13.200114R340 D341 V342R340-Q344 HydrophobicContact CG-CG 4.38Å; R340-Q344 WeakPolarHBondContact O-CB 3.42Å; R340-Q344 WeakPolarHBondContact O-CG 3.26Å; R340-Q344 PolarHBondContact O-N 2.98Å; D341-Q344 PolarHBondContact O-N 2.9Å; V342-Q344 VanDerWaalsContact C-N 3.3Å; V342-Q344 PolarHBondContact O-N 3Å
345E97.2Very high95.4Very high109 Ų10947.4 Ų47.451%0.50924%0.242SC..Iπ-helixtrans-126.7-44.2-170-171.1-179.1173.500113.6D341D341-E345 WeakPolarHBondContact O-CB 3.46Å; D341-E345 PolarHBondContact O-N 3.32Å
346Y97.3Very high95Very high43 Ų4353.2 Ų53.217%0.16927%0.268CS..Iπ-helixtrans-96.5-22-167-53.9-60.7000114.7D341 V342 P348 Q349 F389D341-Y346 HydrophobicContact CB-CE2 4.02Å; V342-Y346 HydrophobicContact CG2-CD2 4.15Å; V342-Y346 PolarHBondContact O-N 2.99Å; V342-Y346 VanDerWaalsContact O-N 3.11Å; Y346-P348 VanDerWaalsContact C-CD 3.45Å; Y346-P348 VanDerWaalsContact C-N 3.33Å; Y346-Q349 WeakPolarHBondContact O-CA 3.27Å; Y346-Q349 VanDerWaalsContact O-CB 3.31Å; Y346-Q349 WeakPolarHBondContact O-CB 3.48Å; Y346-Q349 PolarHBondContact O-N 3.28Å; Y346-F389 HydrophobicContact CD1-CB 4.41Å; Y346-F389 AromaticContact CD1-CD1 3.64Å; Y346-F389 HydrophobicContact CD1-CD1 3.64Å; Y346-F389 HydrophobicContact CD1-CD2 4.42Å; Y346-F389 AromaticContact CD1-CE1 3.94Å; Y346-F389 HydrophobicContact CD1-CE1 3.94Å; Y346-F389 AromaticContact CD1-CG 3.91Å; Y346-F389 HydrophobicContact CD1-CG 3.91Å; Y346-F389 HydrophobicContact CD1-CZ 4.48Å; Y346-F389 HydrophobicContact CD2-CB 3.93Å; Y346-F389 HydrophobicContact CD2-CD2 4.39Å; Y346-F389 HydrophobicContact CD2-CG 4.07Å; Y346-F389 HydrophobicContact CE1-CD1 4.1Å; Y346-F389 HydrophobicContact CE1-CG 4.47Å; Y346-F389 HydrophobicContact CE2-CB 4.18Å; Y346-F389 HydrophobicContact CG-CB 4.09Å; Y346-F389 AromaticContact CG-CD1 3.94Å; Y346-F389 HydrophobicContact CG-CD1 3.94Å; Y346-F389 AromaticContact CG-CD2 3.91Å; Y346-F389 HydrophobicContact CG-CD2 3.91Å; Y346-F389 HydrophobicContact CG-CE1 4.36Å; Y346-F389 HydrophobicContact CG-CE2 4.35Å; Y346-F389 AromaticContact CG-CG 3.71Å; Y346-F389 HydrophobicContact CG-CG 3.71Å
347E95.9Very high94.7Very high24 Ų2457 Ų5711%0.11229%0.285CS..G310 helixtrans-52-41.9-178.1-168.9-74.7152.900113.8R229 V342 Q349 L350 K381R229-E347 HydrophobicContact CB-CG 4.46Å; V342-E347 WeakPolarHBondContact O-CB 3.22Å; V342-E347 PolarHBondContact O-N 3.39Å; E347-Q349 PolarHBondContact O-N 3.18Å; E347-L350 WeakPolarHBondContact O-CB 3.06Å; E347-L350 PolarHBondContact O-N 2.85Å; E347-K381 PolarHBondContact O-NZ 3.44Å; E347-K381 IonicContact OE1-NZ 3.7Å; E347-K381 PolarHBondContact OE1-NZ 2.97Å; E347-K381 IonicContact OE2-NZ 2.77Å
348P92.6Very high94.5Very high103 Ų10360.1 Ų60.167%0.66929%0.291SS*.G310 helixtrans-67.3-16.9177.8-23.136000114.4Y346Y346-P348 VanDerWaalsContact C-CD 3.45Å; Y346-P348 VanDerWaalsContact C-N 3.33Å
349Q93.6Very high94.3Very high105 Ų10560 Ų6049%0.49129%0.291SS..G310 helixtrans-84.9-15.6178.8-53.6-179.438.400112.3Y346 E347 Q351 F389Y346-Q349 WeakPolarHBondContact O-CA 3.27Å; Y346-Q349 VanDerWaalsContact O-CB 3.31Å; Y346-Q349 WeakPolarHBondContact O-CB 3.48Å; Y346-Q349 PolarHBondContact O-N 3.28Å; E347-Q349 PolarHBondContact O-N 3.18Å; Q349-Q351 PolarHBondContact O-N 3.49Å; Q349-F389 HydrophobicContact CB-CZ 4.08Å
350L93.1Very high94.1Very high7 Ų762.9 Ų62.94%0.03731%0.309CS..PPolyproline II helixtrans-65.9130.8179.1-62.8-177.9000111.2Y228 E347 K381 D385 I386 F389Y228-L350 HydrophobicContact CD2-CD1 3.43Å; Y228-L350 VanDerWaalsContact CD2-CD1 3.43Å; Y228-L350 HydrophobicContact CE2-CD1 3.66Å; E347-L350 WeakPolarHBondContact O-CB 3.06Å; E347-L350 PolarHBondContact O-N 2.85Å; L350-K381 HydrophobicContact CB-CD 3.74Å; L350-K381 HydrophobicContact CB-CG 4.38Å; L350-K381 HydrophobicContact CD1-CD 4.25Å; L350-K381 WeakPolarHBondContact O-CE 3.46Å; L350-D385 HydrophobicContact CD2-CB 3.72Å; L350-I386 HydrophobicContact CD1-CG2 3.9Å; L350-I386 HydrophobicContact CD2-CG2 3.82Å; L350-I386 HydrophobicContact CG-CG2 4.38Å; L350-F389 HydrophobicContact CD2-CE2 3.85Å
351Q90.9Very high94.1Very high105 Ų10561.3 Ų61.349%0.49131%0.305SS..PPolyproline II helixtrans-85.8152.1-178.7-62.3-170.7-1400110.8Q349Q349-Q351 PolarHBondContact O-N 3.49Å
352H92.3Very high94Very high14 Ų1460.2 Ų60.27%0.06530%0.299CS..PPolyproline II helixtrans-90.9128.4171.9-69.289000109.3F50 A54 M379F50-H352 AromaticContact CD1-CE1 3.41Å; F50-H352 VanDerWaalsContact CD1-CE1 3.41Å; F50-H352 WeakPolarHBondContact CD1-CE1 3.13Å; F50-H352 AromaticContact CD1-ND1 3.78Å; F50-H352 AromaticContact CD2-CE1 3.49Å; F50-H352 VanDerWaalsContact CD2-CE1 3.49Å; F50-H352 WeakPolarHBondContact CD2-CE1 3.33Å; F50-H352 AromaticContact CD2-NE2 3.83Å; F50-H352 AromaticContact CE1-CE1 3.67Å; F50-H352 AromaticContact CE2-CE1 3.74Å; F50-H352 AromaticContact CG-CE1 3.31Å; F50-H352 WeakPolarHBondContact CG-CE1 3.22Å; F50-H352 AromaticContact CG-ND1 3.72Å; F50-H352 AromaticContact CZ-CE1 3.81Å; A54-H352 HydrophobicContact CB-CB 4.1Å; H352-M379 HydrophobicContact CB-CB 4.08Å; H352-M379 HydrophobicContact CB-CG 4.47Å
353H90.1Very high93.8Very high38 Ų3861.5 Ų61.518%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-84.6143.6170.2-63.9-104.5000109.5E307 M379 E380 F382 D385E307-H353 IonicContact OE1-CE1 3.66Å; E307-H353 IonicContact OE1-ND1 3.88Å; E307-H353 PolarHBondContact OE1-ND1 3.12Å; H353-M379 WeakPolarHBondContact O-CA 3.31Å; H353-E380 PolarHBondContact N-O 2.79Å; H353-E380 PolarHBondContact O-N 3.05Å; H353-E380 VanDerWaalsContact O-N 3.08Å; H353-F382 HydrophobicContact CB-CD2 4.36Å; H353-F382 HydrophobicContact CB-CE2 3.69Å; H353-F382 HydrophobicContact CB-CZ 3.93Å; H353-F382 AromaticContact CD2-CD2 3.41Å; H353-F382 VanDerWaalsContact CD2-CD2 3.41Å; H353-F382 WeakPolarHBondContact CD2-CD2 3.27Å; H353-F382 AromaticContact CD2-CE2 3.62Å; H353-F382 AromaticContact CE1-CD2 3.69Å; H353-F382 AromaticContact CE1-CE2 3.79Å; H353-F382 AromaticContact CG-CD2 3.6Å; H353-F382 AromaticContact CG-CE2 3.27Å; H353-F382 AromaticContact ND1-CD2 3.77Å; H353-F382 AromaticContact ND1-CE2 3.4Å; H353-F382 WeakPolarHBondContact ND1-CE2 3.47Å; H353-F382 AromaticContact NE2-CD2 3.51Å; H353-F382 AromaticContact NE2-CE2 3.96Å; H353-D385 IonicContact CD2-OD2 3.83Å; H353-D385 IonicContact NE2-OD1 2.57Å; H353-D385 IonicContact NE2-OD2 3.38Å; H353-D385 PolarHBondContact NE2-OD2 2.84Å
354V89.8Confident93.5Very high43 Ų4365.1 Ų65.126%0.26133%0.328SS..EExtended strand (participates in β ladder)trans-103123.7-175.4177.60000110A54 I377A54-V354 HydrophobicContact CB-CG2 3.48Å; A54-V354 VanDerWaalsContact CB-CG2 3.48Å; A54-V354 WeakPolarHBondContact O-CG2 3.45Å; V354-I377 HydrophobicContact CG1-CB 3.84Å; V354-I377 HydrophobicContact CG1-CD1 4.06Å; V354-I377 HydrophobicContact CG1-CG2 3.6Å; V354-I377 HydrophobicContact CG2-CD1 4.43Å
355A88.3Confident93.4Very high24 Ų2464.7 Ų64.720%0.19833%0.326CS..EExtended strand (participates in β ladder)trans-114.6117169.500000110.6I377 K378A355-I377 WeakPolarHBondContact O-CA 3.5Å; A355-K378 PolarHBondContact N-O 3.09Å; A355-K378 PolarHBondContact O-N 3.15Å
356Q90.8Very high93.2Very high132 Ų13260.5 Ų60.562%0.61731%0.312SS*.EExtended strand (participates in β ladder)trans-70.3130.8171.8-64.1-176.51.500110.1Y205 P374 I377Y205-Q356 HydrophobicContact CE1-CG 4.44Å; Q356-P374 HydrophobicContact CB-CB 4.19Å; Q356-I377 HydrophobicContact CG-CG2 4.41Å
357K91.4Very high93.2Very high96 Ų9664.2 Ų64.242%0.41733%0.331SS..EExtended strand (participates in β ladder)trans-137.1153.5-175.8-64.2-65.2-178.7-169.60111.9I359 P374 N375 G376 K378K357-I359 HydrophobicContact CB-CD1 4.04Å; K357-I359 HydrophobicContact CB-CG1 3.78Å; K357-I359 PolarHBondContact O-N 2.77Å; K357-P374 WeakPolarHBondContact O-CA 3.28Å; K357-N375 PolarHBondContact O-N 2.96Å; K357-N375 PolarHBondContact O-OD1 3.1Å; K357-G376 PolarHBondContact N-O 3.19Å; K357-K378 HydrophobicContact CG-CD 4.01Å; K357-K378 HydrophobicContact CG-CG 4.08Å
358K93.8Very high93.2Very high127 Ų12768.9 Ų68.955%0.55236%0.355SS*.  trans-82.5102.7163-59.8-176.8-169-168.20107.1P371 E372 P374K358-P371 HydrophobicContact CB-CG 4.07Å; K358-E372 WeakPolarHBondContact CE-O 3.48Å; K358-E372 PolarHBondContact NZ-O 3.35Å; K358-P374 HydrophobicContact CG-CG 4.45Å
359I94.4Very high93.4Very high3 Ų366.8 Ų66.82%0.01534%0.338CS..  trans-108.6109.9-173.3-62.5146.7000107.6A202 I210 S218 K357 F361 P371 N375A202-I359 HydrophobicContact CB-CD1 3.87Å; A202-I359 HydrophobicContact CB-CG1 4.31Å; A202-I359 HydrophobicContact CB-CG2 4.05Å; I210-I359 HydrophobicContact CD1-CB 4.3Å; I210-I359 HydrophobicContact CD1-CD1 3.93Å; I210-I359 HydrophobicContact CD1-CG2 4.15Å; I210-I359 HydrophobicContact CG2-CG2 3.95Å; S218-I359 VanDerWaalsContact OG-CG2 3.25Å; S218-I359 WeakPolarHBondContact OG-CG2 3.47Å; K357-I359 HydrophobicContact CB-CD1 4.04Å; K357-I359 HydrophobicContact CB-CG1 3.78Å; K357-I359 PolarHBondContact O-N 2.77Å; I359-F361 PolarHBondContact O-N 3.13Å; I359-P371 WeakPolarHBondContact O-CG 3.35Å; I359-N375 PolarHBondContact N-OD1 3.48Å; I359-N375 PolarHBondContact O-ND2 3.39Å; I359-N375 PolarHBondContact O-OD1 3.2Å
360P95.3Very high93.4Very high59 Ų5967.1 Ų67.138%0.38335%0.347SS..  trans-54.2137.5171.4-24.534.6000110.8I369P360-I369 VanDerWaalsContact CA-O 3.31Å; P360-I369 WeakPolarHBondContact CA-O 3.1Å
361F97Very high93.5Very high57 Ų5767.7 Ų67.725%0.2535%0.351CS..EExtended strand (participates in β ladder)trans-147.6162.4-174.573-77.2000112I210 L211 I359 D363 I369 N375I210-F361 HydrophobicContact CG2-CB 3.5Å; L211-F361 WeakPolarHBondContact O-CA 3.36Å; L211-F361 WeakPolarHBondContact O-CB 3.4Å; I359-F361 PolarHBondContact O-N 3.13Å; F361-D363 HydrophobicContact CE2-CB 4.36Å; F361-I369 HydrophobicContact CD1-CB 4.19Å; F361-I369 HydrophobicContact CD1-CG2 4.5Å; F361-I369 HydrophobicContact CE1-CB 3.75Å; F361-I369 HydrophobicContact CE1-CD1 4.5Å; F361-I369 HydrophobicContact CE1-CG2 3.73Å; F361-I369 HydrophobicContact CE2-CD1 4.23Å; F361-I369 HydrophobicContact CZ-CB 3.97Å; F361-I369 HydrophobicContact CZ-CD1 3.85Å; F361-I369 HydrophobicContact CZ-CG1 4.4Å; F361-I369 HydrophobicContact CZ-CG2 4.08Å; F361-I369 PolarHBondContact N-O 3.31Å; F361-I369 VanDerWaalsContact N-O 3.08Å; F361-I369 PolarHBondContact O-N 3.43Å; F361-N375 WeakPolarHBondContact CD1-ND2 3.41Å
362V97.1Very high93.6Very high9 Ų970.9 Ų70.96%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-94.1127.917061.60000110.7F23 L211 Q214 G366 H367F23-V362 HydrophobicContact CE2-CG1 3.88Å; F23-V362 HydrophobicContact CE2-CG2 4.05Å; F23-V362 HydrophobicContact CZ-CG2 4.25Å; L211-V362 HydrophobicContact CB-CG1 3.52Å; L211-V362 HydrophobicContact CD1-CG1 4.38Å; L211-V362 PolarHBondContact O-N 3.08Å; L211-V362 VanDerWaalsContact O-N 3.08Å; Q214-V362 HydrophobicContact CG-CG2 4.02Å; V362-G366 VanDerWaalsContact CG2-C 3.47Å; V362-H367 WeakPolarHBondContact CA-O 3.41Å
363D94.6Very high93.7Very high27 Ų2778.2 Ų78.214%0.14440%0.398CS..  trans-75.9175.6175.173.711.9000112.3F23 F361 Q365 G366 H367 I369F23-D363 WeakPolarHBondContact CZ-O 3.28Å; F361-D363 HydrophobicContact CE2-CB 4.36Å; D363-Q365 PolarHBondContact O-N 2.87Å; D363-Q365 VanDerWaalsContact O-N 3.16Å; D363-Q365 WeakPolarHBondContact OD1-CA 3.27Å; D363-Q365 WeakPolarHBondContact OD1-CB 3.37Å; D363-Q365 PolarHBondContact OD1-N 3.32Å; D363-Q365 PolarHBondContact OD2-OE1 3.5Å; D363-G366 PolarHBondContact O-N 2.81Å; D363-G366 PolarHBondContact OD1-N 2.87Å; D363-H367 PolarHBondContact N-O 2.84Å; D363-H367 IonicContact OD1-CG 3.93Å; D363-H367 PolarHBondContact OD1-N 2.85Å; D363-H367 IonicContact OD1-ND1 3.67Å; D363-H367 IonicContact OD2-CG 3.89Å; D363-H367 IonicContact OD2-ND1 3.4Å; D363-H367 PolarHBondContact OD2-ND1 3.49Å; D363-I369 HydrophobicContact CB-CD1 3.69Å; D363-I369 HydrophobicContact CB-CG1 4.36Å
364V92.3Very high93.9Very high103 Ų10379.1 Ų79.162%0.62441%0.407SS*.THydrogen-bonded Turntrans-67.5-13.4-177.9-57.50000113.7
365Q93.8Very high94.2Very high130 Ų13078.7 Ų78.761%0.60740%0.403SS*.THydrogen-bonded Turntrans-93-3.6174.8-67.579.716.800112.6D363D363-Q365 PolarHBondContact O-N 2.87Å; D363-Q365 VanDerWaalsContact O-N 3.16Å; D363-Q365 WeakPolarHBondContact OD1-CA 3.27Å; D363-Q365 WeakPolarHBondContact OD1-CB 3.37Å; D363-Q365 PolarHBondContact OD1-N 3.32Å; D363-Q365 PolarHBondContact OD2-OE1 3.5Å
366G93.6Very high94.6Very high22 Ų2277.6 Ų77.623%0.22739%0.394CS..SBendtrans89.47.1-178.300000114.6V362 D363V362-G366 VanDerWaalsContact CG2-C 3.47Å; D363-G366 PolarHBondContact O-N 2.81Å; D363-G366 PolarHBondContact OD1-N 2.87Å
367H95.7Very high94.8Very high121 Ų12171.4 Ų71.456%0.5637%0.365SS*.  trans-84.9137.6177.8-51.6117.5000111.8V362 D363V362-H367 WeakPolarHBondContact CA-O 3.41Å; D363-H367 PolarHBondContact N-O 2.84Å; D363-H367 IonicContact OD1-CG 3.93Å; D363-H367 PolarHBondContact OD1-N 2.85Å; D363-H367 IonicContact OD1-ND1 3.67Å; D363-H367 IonicContact OD2-CG 3.89Å; D363-H367 IonicContact OD2-ND1 3.4Å; D363-H367 PolarHBondContact OD2-ND1 3.49Å
368I96Very high94.9Very high121 Ų12169.6 Ų69.662%0.62136%0.357SS*.EExtended strand (participates in β ladder)trans-79.5122174.1-61.7173.2000109.2
369I96.4Very high94.9Very high60 Ų6063.8 Ų63.831%0.30833%0.332SS..EExtended strand (participates in β ladder)trans-111.3131.2179.7-58.6-175.6000109.7P360 F361 D363P360-I369 VanDerWaalsContact CA-O 3.31Å; P360-I369 WeakPolarHBondContact CA-O 3.1Å; F361-I369 HydrophobicContact CD1-CB 4.19Å; F361-I369 HydrophobicContact CD1-CG2 4.5Å; F361-I369 HydrophobicContact CE1-CB 3.75Å; F361-I369 HydrophobicContact CE1-CD1 4.5Å; F361-I369 HydrophobicContact CE1-CG2 3.73Å; F361-I369 HydrophobicContact CE2-CD1 4.23Å; F361-I369 HydrophobicContact CZ-CB 3.97Å; F361-I369 HydrophobicContact CZ-CD1 3.85Å; F361-I369 HydrophobicContact CZ-CG1 4.4Å; F361-I369 HydrophobicContact CZ-CG2 4.08Å; F361-I369 PolarHBondContact N-O 3.31Å; F361-I369 VanDerWaalsContact N-O 3.08Å; F361-I369 PolarHBondContact O-N 3.43Å; D363-I369 HydrophobicContact CB-CD1 3.69Å; D363-I369 HydrophobicContact CB-CG1 4.36Å
370T95.4Very high94.8Very high112 Ų11266.6 Ų66.669%0.68735%0.345SS*.  trans-100110.6166.1-60.90000108.9
371P93.8Very high94.8Very high18 Ų1864.1 Ų64.112%0.11733%0.329CS..  trans-76.2139.2-170.529-34.6000112.7K358 I359 N375K358-P371 HydrophobicContact CB-CG 4.07Å; I359-P371 WeakPolarHBondContact O-CG 3.35Å; P371-N375 HydrophobicContact CB-CB 4.29Å; P371-N375 WeakPolarHBondContact CG-OD1 3.45Å
372E94.1Very high94.7Very high173 Ų17363.1 Ų63.181%0.80832%0.324SS*.SBendtrans-77-27.8176.6-65-173.5169.100113.1K358K358-E372 WeakPolarHBondContact CE-O 3.48Å; K358-E372 PolarHBondContact NZ-O 3.35Å
373K94.1Very high94.7Very high168 Ų16862.7 Ų62.773%0.7332%0.322SS*.SBendtrans-120.4154.9178.6-64.5-179-177.3176.60110.5N375K373-N375 PolarHBondContact O-N 2.8Å
374P95.1Very high94.8Very high56 Ų5661.7 Ų61.736%0.36432%0.316SS..  trans-55.8124.1175.9-25.435.4000112.1Y205 Q356 K357 K358Y205-P374 WeakPolarHBondContact CE2-O 3.46Å; Y205-P374 VanDerWaalsContact OH-C 3.26Å; Y205-P374 WeakPolarHBondContact OH-CB 3.44Å; Y205-P374 PolarHBondContact OH-O 2.78Å; Q356-P374 HydrophobicContact CB-CB 4.19Å; K357-P374 WeakPolarHBondContact O-CA 3.28Å; K358-P374 HydrophobicContact CG-CG 4.45Å
375N96.2Very high95Very high35 Ų3557.7 Ų57.719%0.18729%0.291CS..  trans-113.2-2.5-175.163.4-44.9000113.3K357 I359 F361 P371 K373K357-N375 PolarHBondContact O-N 2.96Å; K357-N375 PolarHBondContact O-OD1 3.1Å; I359-N375 PolarHBondContact N-OD1 3.48Å; I359-N375 PolarHBondContact O-ND2 3.39Å; I359-N375 PolarHBondContact O-OD1 3.2Å; F361-N375 WeakPolarHBondContact CD1-ND2 3.41Å; P371-N375 HydrophobicContact CB-CB 4.29Å; P371-N375 WeakPolarHBondContact CG-OD1 3.45Å; K373-N375 PolarHBondContact O-N 2.8Å
376G95.6Very high95.3Very high0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-170.6-172.8178.600000112.5M203 K357M203-G376 CarbonylContact O-C 3.53Å; M203-G376 WeakPolarHBondContact O-CA 3.29Å; K357-G376 PolarHBondContact N-O 3.19Å
377I94.4Very high95.5Very high2 Ų250.5 Ų50.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-121.9155.2-175.867.1163.5000112F51 M55 M203 Y205 V354 A355 Q356 M379F51-I377 HydrophobicContact CD2-CD1 3.67Å; F51-I377 HydrophobicContact CD2-CG1 4.33Å; F51-I377 HydrophobicContact CE2-CD1 3.53Å; F51-I377 HydrophobicContact CE2-CG1 3.99Å; M55-I377 HydrophobicContact SD-CD1 3.88Å; M203-I377 HydrophobicContact CB-CG1 4.37Å; M203-I377 PolarHBondContact N-O 2.88Å; M203-I377 VanDerWaalsContact N-O 3.13Å; M203-I377 PolarHBondContact O-N 3.47Å; Y205-I377 HydrophobicContact CD1-CG2 4.16Å; Y205-I377 HydrophobicContact CE1-CG2 3.91Å; V354-I377 HydrophobicContact CG1-CB 3.84Å; V354-I377 HydrophobicContact CG1-CD1 4.06Å; V354-I377 HydrophobicContact CG1-CG2 3.6Å; V354-I377 HydrophobicContact CG2-CD1 4.43Å; A355-I377 WeakPolarHBondContact O-CA 3.5Å; Q356-I377 HydrophobicContact CG-CG2 4.41Å; I377-M379 HydrophobicContact CD1-CG 4.23Å
378K93.9Very high95.6Very high59 Ų5947.7 Ų47.726%0.25724%0.238SC..EExtended strand (participates in β ladder)trans-116.1141.2161.5-62.9-173.3179.6-174.10108.7A202 A220 A355 K357A202-K378 HydrophobicContact CB-CG 4.49Å; A220-K378 HydrophobicContact CB-CD 3.8Å; A355-K378 PolarHBondContact N-O 3.09Å; A355-K378 PolarHBondContact O-N 3.15Å; K357-K378 HydrophobicContact CG-CD 4.01Å; K357-K378 HydrophobicContact CG-CG 4.08Å
379M93.8Very high95.7Very high5 Ų543.1 Ų43.13%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-107129.8178.3-67.2179.2-66.700108.8F50 F51 A54 L200 M203 H352 H353 I377F50-M379 HydrophobicContact CB-CE 4.25Å; F50-M379 HydrophobicContact CB-SD 3.93Å; F51-M379 VanDerWaalsContact CA-SD 3.57Å; F51-M379 HydrophobicContact CB-SD 4.27Å; F51-M379 PolarHBondContact N-SD 3.39Å; A54-M379 HydrophobicContact CB-CG 4.33Å; A54-M379 HydrophobicContact CB-SD 4.23Å; L200-M379 HydrophobicContact CD1-CB 4.14Å; M203-M379 HydrophobicContact CG-CE 4.49Å; M203-M379 HydrophobicContact SD-CE 3.63Å; H352-M379 HydrophobicContact CB-CB 4.08Å; H352-M379 HydrophobicContact CB-CG 4.47Å; H353-M379 WeakPolarHBondContact O-CA 3.31Å; I377-M379 HydrophobicContact CD1-CG 4.23Å
380E92.6Very high95.8Very high61 Ų6141.3 Ų41.329%0.28521%0.208SC..EExtended strand (participates in β ladder)trans-137.6139.4-178.1-66.6179.6154.600109.3H353H353-E380 PolarHBondContact N-O 2.79Å; H353-E380 PolarHBondContact O-N 3.05Å; H353-E380 VanDerWaalsContact O-N 3.08Å
381K94.4Very high95.9Very high8 Ų843.6 Ų43.64%0.03521%0.209CC..  trans-90.6150.5164.3-71.1-175.3175.2-174.30109.7D222 G223 N224 G225 E347 L350D222-K381 PolarHBondContact O-N 2.89Å; G223-K381 CarbonylContact C-O 3.58Å; G223-K381 WeakPolarHBondContact CA-O 3.27Å; N224-K381 PolarHBondContact N-O 3.46Å; G225-K381 WeakPolarHBondContact CA-O 3.49Å; G225-K381 PolarHBondContact N-O 3.03Å; E347-K381 PolarHBondContact O-NZ 3.44Å; E347-K381 IonicContact OE1-NZ 3.7Å; E347-K381 PolarHBondContact OE1-NZ 2.97Å; E347-K381 IonicContact OE2-NZ 2.77Å; L350-K381 HydrophobicContact CB-CD 3.74Å; L350-K381 HydrophobicContact CB-CG 4.38Å; L350-K381 HydrophobicContact CD1-CD 4.25Å; L350-K381 WeakPolarHBondContact O-CE 3.46Å
382F95.6Very high96.1Very high36 Ų3645.6 Ų45.616%0.15822%0.221CC..  trans-104.6142.6173.4-60.6-43.8000113.7N224 E304 H353 F384 D385N224-F382 VanDerWaalsContact OD1-CA 3.29Å; N224-F382 WeakPolarHBondContact OD1-CA 3.42Å; E304-F382 HydrophobicContact CG-CD2 4.31Å; E304-F382 HydrophobicContact CG-CE2 3.87Å; E304-F382 HydrophobicContact CG-CZ 4.43Å; H353-F382 HydrophobicContact CB-CD2 4.36Å; H353-F382 HydrophobicContact CB-CE2 3.69Å; H353-F382 HydrophobicContact CB-CZ 3.93Å; H353-F382 AromaticContact CD2-CD2 3.41Å; H353-F382 VanDerWaalsContact CD2-CD2 3.41Å; H353-F382 WeakPolarHBondContact CD2-CD2 3.27Å; H353-F382 AromaticContact CD2-CE2 3.62Å; H353-F382 AromaticContact CE1-CD2 3.69Å; H353-F382 AromaticContact CE1-CE2 3.79Å; H353-F382 AromaticContact CG-CD2 3.6Å; H353-F382 AromaticContact CG-CE2 3.27Å; H353-F382 AromaticContact ND1-CD2 3.77Å; H353-F382 AromaticContact ND1-CE2 3.4Å; H353-F382 WeakPolarHBondContact ND1-CE2 3.47Å; H353-F382 AromaticContact NE2-CD2 3.51Å; H353-F382 AromaticContact NE2-CE2 3.96Å; F382-F384 HydrophobicContact CB-CD1 4.33Å; F382-F384 HydrophobicContact CB-CD2 3.86Å; F382-F384 HydrophobicContact CB-CE1 3.89Å; F382-F384 HydrophobicContact CB-CE2 3.36Å; F382-F384 HydrophobicContact CB-CG 4.34Å; F382-F384 HydrophobicContact CB-CZ 3.37Å; F382-F384 HydrophobicContact CD1-CZ 4.29Å; F382-F384 AromaticContact CD2-CE2 3.64Å; F382-F384 HydrophobicContact CD2-CE2 3.64Å; F382-F384 AromaticContact CD2-CZ 3.5Å; F382-F384 HydrophobicContact CD2-CZ 3.5Å; F382-F384 VanDerWaalsContact CD2-CZ 3.5Å; F382-F384 HydrophobicContact CE2-CZ 4.3Å; F382-F384 HydrophobicContact CG-CE1 4.2Å; F382-F384 AromaticContact CG-CE2 3.8Å; F382-F384 HydrophobicContact CG-CE2 3.8Å; F382-F384 AromaticContact CG-CZ 3.48Å; F382-F384 HydrophobicContact CG-CZ 3.48Å; F382-F384 VanDerWaalsContact CG-CZ 3.48Å; F382-F384 PolarHBondContact O-N 3.2Å; F382-D385 WeakPolarHBondContact CB-OD2 3.39Å; F382-D385 PolarHBondContact N-OD2 3.13Å; F382-D385 VanDerWaalsContact N-OD2 3.09Å; F382-D385 WeakPolarHBondContact O-CB 3.48Å; F382-D385 PolarHBondContact O-N 2.82Å
383V97.3Very high96.4Very high0 Ų037.8 Ų37.80%018%0.184CC..THydrogen-bonded Turntrans-69.1-9.8-177.972.30000113.8L109 N224 L227 Y228 V250L109-V383 HydrophobicContact CD1-CB 4.46Å; L109-V383 HydrophobicContact CD1-CG1 4.09Å; L109-V383 HydrophobicContact CD1-CG2 4.29Å; N224-V383 HydrophobicContact CB-CB 4.29Å; N224-V383 HydrophobicContact CB-CG1 4.49Å; N224-V383 PolarHBondContact OD1-N 3.13Å; L227-V383 HydrophobicContact CD2-CG2 3.77Å; Y228-V383 VanDerWaalsContact OH-C 3.23Å; Y228-V383 WeakPolarHBondContact OH-CA 3.46Å; Y228-V383 WeakPolarHBondContact OH-CG2 3.41Å; Y228-V383 PolarHBondContact OH-O 3.5Å; V250-V383 HydrophobicContact CG1-CG2 4.27Å
384F97.4Very high96.6Very high6 Ų630 Ų303%0.02615%0.15CC..THydrogen-bonded Turntrans-103.7-6.4178.147.2-113.2000112.6V302 E304 N328 F382 I386 F387V302-F384 HydrophobicContact CB-CB 4.25Å; V302-F384 HydrophobicContact CB-CD1 4.23Å; V302-F384 HydrophobicContact CB-CD2 3.51Å; V302-F384 HydrophobicContact CB-CE1 4.47Å; V302-F384 HydrophobicContact CB-CE2 3.8Å; V302-F384 HydrophobicContact CB-CG 3.73Å; V302-F384 HydrophobicContact CB-CZ 4.27Å; V302-F384 HydrophobicContact CG1-CD1 4.44Å; V302-F384 HydrophobicContact CG1-CD2 4.31Å; V302-F384 HydrophobicContact CG1-CE1 4.33Å; V302-F384 HydrophobicContact CG1-CE2 4.2Å; V302-F384 HydrophobicContact CG1-CG 4.41Å; V302-F384 HydrophobicContact CG1-CZ 4.2Å; V302-F384 HydrophobicContact CG2-CB 3.69Å; V302-F384 HydrophobicContact CG2-CD1 4.18Å; V302-F384 HydrophobicContact CG2-CD2 3.95Å; V302-F384 HydrophobicContact CG2-CG 3.67Å; E304-F384 HydrophobicContact CG-CE2 4.45Å; E304-F384 HydrophobicContact CG-CZ 3.77Å; E304-F384 WeakPolarHBondContact OE1-CE1 3.28Å; E304-F384 WeakPolarHBondContact OE1-CZ 3.35Å; N328-F384 WeakPolarHBondContact ND2-CD1 3.45Å; F382-F384 HydrophobicContact CB-CD1 4.33Å; F382-F384 HydrophobicContact CB-CD2 3.86Å; F382-F384 HydrophobicContact CB-CE1 3.89Å; F382-F384 HydrophobicContact CB-CE2 3.36Å; F382-F384 HydrophobicContact CB-CG 4.34Å; F382-F384 HydrophobicContact CB-CZ 3.37Å; F382-F384 HydrophobicContact CD1-CZ 4.29Å; F382-F384 AromaticContact CD2-CE2 3.64Å; F382-F384 HydrophobicContact CD2-CE2 3.64Å; F382-F384 AromaticContact CD2-CZ 3.5Å; F382-F384 HydrophobicContact CD2-CZ 3.5Å; F382-F384 VanDerWaalsContact CD2-CZ 3.5Å; F382-F384 HydrophobicContact CE2-CZ 4.3Å; F382-F384 HydrophobicContact CG-CE1 4.2Å; F382-F384 AromaticContact CG-CE2 3.8Å; F382-F384 HydrophobicContact CG-CE2 3.8Å; F382-F384 AromaticContact CG-CZ 3.48Å; F382-F384 HydrophobicContact CG-CZ 3.48Å; F382-F384 VanDerWaalsContact CG-CZ 3.48Å; F382-F384 PolarHBondContact O-N 3.2Å; F384-I386 PolarHBondContact O-N 3.35Å; F384-F387 HydrophobicContact CB-CD1 4.35Å; F384-F387 HydrophobicContact CB-CD2 4.07Å; F384-F387 HydrophobicContact CB-CE1 3.93Å; F384-F387 HydrophobicContact CB-CE2 3.63Å; F384-F387 HydrophobicContact CB-CG 4.42Å; F384-F387 HydrophobicContact CB-CZ 3.54Å; F384-F387 WeakPolarHBondContact O-CB 3.46Å; F384-F387 WeakPolarHBondContact O-CD1 3.45Å; F384-F387 WeakPolarHBondContact O-CG 3.39Å; F384-F387 PolarHBondContact O-N 2.81Å
385D96.9Very high96.8Very high18 Ų1827.3 Ų27.310%0.09613%0.133CC..G310 helixtrans-64.9-15.7-179.4-66.4-23.1000112.3L350 H353 F382 F387 Q388L350-D385 HydrophobicContact CD2-CB 3.72Å; H353-D385 IonicContact CD2-OD2 3.83Å; H353-D385 IonicContact NE2-OD1 2.57Å; H353-D385 IonicContact NE2-OD2 3.38Å; H353-D385 PolarHBondContact NE2-OD2 2.84Å; F382-D385 WeakPolarHBondContact CB-OD2 3.39Å; F382-D385 PolarHBondContact N-OD2 3.13Å; F382-D385 VanDerWaalsContact N-OD2 3.09Å; F382-D385 WeakPolarHBondContact O-CB 3.48Å; F382-D385 PolarHBondContact O-N 2.82Å; D385-F387 VanDerWaalsContact C-N 3.32Å; D385-Q388 WeakPolarHBondContact O-CG 3.1Å; D385-Q388 PolarHBondContact O-NE2 3.49Å
386I98.4Very high96.9Very high0 Ų025.7 Ų25.70%012%0.124CC..G310 helixtrans-78.6-12.3176.165.5163.8000113.6Y228 F334 F338 V342 L350 F384 Q388 F389Y228-I386 HydrophobicContact CD2-CG2 4.13Å; Y228-I386 HydrophobicContact CE1-CD1 3.57Å; Y228-I386 HydrophobicContact CE1-CG1 4.41Å; Y228-I386 HydrophobicContact CE1-CG2 4.18Å; Y228-I386 HydrophobicContact CE2-CG2 3.49Å; Y228-I386 VanDerWaalsContact CE2-CG2 3.49Å; Y228-I386 WeakPolarHBondContact OH-CD1 3.39Å; Y228-I386 VanDerWaalsContact OH-CG1 3.26Å; Y228-I386 WeakPolarHBondContact OH-CG1 3.17Å; F334-I386 HydrophobicContact CD1-CD1 4.22Å; F334-I386 HydrophobicContact CE1-CD1 3.7Å; F334-I386 HydrophobicContact CE1-CG1 4.29Å; F334-I386 HydrophobicContact CE2-CD1 4.11Å; F334-I386 HydrophobicContact CZ-CD1 3.66Å; F334-I386 HydrophobicContact CZ-CG1 4.27Å; F338-I386 HydrophobicContact CE1-CD1 3.65Å; F338-I386 HydrophobicContact CE1-CG1 4.27Å; F338-I386 HydrophobicContact CZ-CB 4.34Å; F338-I386 HydrophobicContact CZ-CD1 4.02Å; F338-I386 HydrophobicContact CZ-CG1 4.27Å; F338-I386 WeakPolarHBondContact CZ-O 3.39Å; V342-I386 HydrophobicContact CG1-CB 4.36Å; V342-I386 HydrophobicContact CG1-CD1 4.33Å; V342-I386 HydrophobicContact CG1-CG2 3.61Å; V342-I386 HydrophobicContact CG2-CB 4.06Å; V342-I386 HydrophobicContact CG2-CD1 3.99Å; V342-I386 HydrophobicContact CG2-CG2 4.19Å; L350-I386 HydrophobicContact CD1-CG2 3.9Å; L350-I386 HydrophobicContact CD2-CG2 3.82Å; L350-I386 HydrophobicContact CG-CG2 4.38Å; F384-I386 PolarHBondContact O-N 3.35Å; I386-Q388 PolarHBondContact O-N 3.15Å; I386-F389 HydrophobicContact CB-CD2 4.16Å; I386-F389 HydrophobicContact CG2-CD2 4.43Å; I386-F389 PolarHBondContact O-N 3.36Å
387F98.6Very high97.1Very high1 Ų126.7 Ų26.70%0.00413%0.129CC..G310 helixtrans-55.6-30.9-178.5-68.8-2.2000112.1C276 A278 Y300 V302 H332 F334 F384 D385 F389 A390 F393C276-F387 VanDerWaalsContact SG-CD1 3.5Å; A278-F387 HydrophobicContact CB-CE2 3.83Å; A278-F387 HydrophobicContact CB-CZ 3.89Å; Y300-F387 CarbonylContact O-C 3.48Å; Y300-F387 VanDerWaalsContact O-C 3.3Å; Y300-F387 WeakPolarHBondContact O-CB 3.48Å; V302-F387 HydrophobicContact CG2-CD2 4.03Å; V302-F387 HydrophobicContact CG2-CE2 3.64Å; H332-F387 AromaticContact CD2-CZ 3.51Å; H332-F387 AromaticContact CG-CZ 3.96Å; H332-F387 AromaticContact NE2-CZ 3.65Å; F334-F387 HydrophobicContact CE1-CD1 4.42Å; F334-F387 HydrophobicContact CE1-CE1 4.02Å; F334-F387 HydrophobicContact CZ-CE1 4.24Å; F384-F387 HydrophobicContact CB-CD1 4.35Å; F384-F387 HydrophobicContact CB-CD2 4.07Å; F384-F387 HydrophobicContact CB-CE1 3.93Å; F384-F387 HydrophobicContact CB-CE2 3.63Å; F384-F387 HydrophobicContact CB-CG 4.42Å; F384-F387 HydrophobicContact CB-CZ 3.54Å; F384-F387 WeakPolarHBondContact O-CB 3.46Å; F384-F387 WeakPolarHBondContact O-CD1 3.45Å; F384-F387 WeakPolarHBondContact O-CG 3.39Å; F384-F387 PolarHBondContact O-N 2.81Å; D385-F387 VanDerWaalsContact C-N 3.32Å; F387-F389 PolarHBondContact O-N 3.37Å; F387-A390 VanDerWaalsContact O-CB 3.32Å; F387-A390 WeakPolarHBondContact O-CB 3.39Å; F387-A390 PolarHBondContact O-N 3.15Å; F387-A390 VanDerWaalsContact O-N 3.15Å; F387-F393 HydrophobicContact CB-CD2 4.27Å; F387-F393 HydrophobicContact CB-CE2 3.9Å; F387-F393 HydrophobicContact CB-CZ 4.48Å; F387-F393 AromaticContact CD1-CE2 3.87Å; F387-F393 HydrophobicContact CD1-CE2 3.87Å; F387-F393 AromaticContact CD2-CE2 3.54Å; F387-F393 HydrophobicContact CD2-CE2 3.54Å; F387-F393 AromaticContact CD2-CZ 3.6Å; F387-F393 HydrophobicContact CD2-CZ 3.6Å; F387-F393 HydrophobicContact CE1-CE2 4.26Å; F387-F393 AromaticContact CE2-CE2 3.95Å; F387-F393 HydrophobicContact CE2-CE2 3.95Å; F387-F393 AromaticContact CE2-CZ 3.9Å; F387-F393 HydrophobicContact CE2-CZ 3.9Å; F387-F393 HydrophobicContact CG-CD2 4.28Å; F387-F393 AromaticContact CG-CE2 3.49Å; F387-F393 HydrophobicContact CG-CE2 3.49Å; F387-F393 VanDerWaalsContact CG-CE2 3.49Å; F387-F393 HydrophobicContact CG-CZ 4.05Å; F387-F393 HydrophobicContact CZ-CE2 4.29Å
388Q97.7Very high97.3Very high62 Ų6226.8 Ų26.829%0.2913%0.13SC..G310 helixtrans-65.1-16.9178.773.6-177.9-69.100114.1R299 Y300 D385 I386R299-Q388 HydrophobicContact CB-CB 4.08Å; Y300-Q388 VanDerWaalsContact O-CA 3.29Å; Y300-Q388 WeakPolarHBondContact O-CA 3.28Å; Y300-Q388 PolarHBondContact O-N 3.09Å; D385-Q388 WeakPolarHBondContact O-CG 3.1Å; D385-Q388 PolarHBondContact O-NE2 3.49Å; I386-Q388 PolarHBondContact O-N 3.15Å
389F98.4Very high97.5Very high26 Ų2626.6 Ų26.611%0.11413%0.131CC..G310 helixtrans-97.6-4.6179.1-52.3-60000112.9F338 Y346 Q349 L350 I386 F387F338-F389 HydrophobicContact CE2-CB 4.1Å; Y346-F389 HydrophobicContact CD1-CB 4.41Å; Y346-F389 AromaticContact CD1-CD1 3.64Å; Y346-F389 HydrophobicContact CD1-CD1 3.64Å; Y346-F389 HydrophobicContact CD1-CD2 4.42Å; Y346-F389 AromaticContact CD1-CE1 3.94Å; Y346-F389 HydrophobicContact CD1-CE1 3.94Å; Y346-F389 AromaticContact CD1-CG 3.91Å; Y346-F389 HydrophobicContact CD1-CG 3.91Å; Y346-F389 HydrophobicContact CD1-CZ 4.48Å; Y346-F389 HydrophobicContact CD2-CB 3.93Å; Y346-F389 HydrophobicContact CD2-CD2 4.39Å; Y346-F389 HydrophobicContact CD2-CG 4.07Å; Y346-F389 HydrophobicContact CE1-CD1 4.1Å; Y346-F389 HydrophobicContact CE1-CG 4.47Å; Y346-F389 HydrophobicContact CE2-CB 4.18Å; Y346-F389 HydrophobicContact CG-CB 4.09Å; Y346-F389 AromaticContact CG-CD1 3.94Å; Y346-F389 HydrophobicContact CG-CD1 3.94Å; Y346-F389 AromaticContact CG-CD2 3.91Å; Y346-F389 HydrophobicContact CG-CD2 3.91Å; Y346-F389 HydrophobicContact CG-CE1 4.36Å; Y346-F389 HydrophobicContact CG-CE2 4.35Å; Y346-F389 AromaticContact CG-CG 3.71Å; Y346-F389 HydrophobicContact CG-CG 3.71Å; Q349-F389 HydrophobicContact CB-CZ 4.08Å; L350-F389 HydrophobicContact CD2-CE2 3.85Å; I386-F389 HydrophobicContact CB-CD2 4.16Å; I386-F389 HydrophobicContact CG2-CD2 4.43Å; I386-F389 PolarHBondContact O-N 3.36Å; F387-F389 PolarHBondContact O-N 3.37Å
390A98.3Very high97.7Very high22 Ų2229.8 Ų29.818%0.18214%0.143CC..  trans-67.8137.6179.900000111.3C276 F338 F387 F393C276-A390 HydrophobicContact CB-CB 3.48Å; C276-A390 VanDerWaalsContact CB-CB 3.48Å; F338-A390 HydrophobicContact CE2-CB 4.26Å; F338-A390 HydrophobicContact CZ-CB 4.18Å; F387-A390 VanDerWaalsContact O-CB 3.32Å; F387-A390 WeakPolarHBondContact O-CB 3.39Å; F387-A390 PolarHBondContact O-N 3.15Å; F387-A390 VanDerWaalsContact O-N 3.15Å; A390-F393 HydrophobicContact CB-CB 4.07Å; A390-F393 HydrophobicContact CB-CD2 4.38Å
391K97.9Very high97.9Very high159 Ų15931.4 Ų31.469%0.69115%0.151SC*.SBendtrans-79.7-39.1174.6-63.7170.7-174.4163.20110.8D275D275-K391 PolarHBondContact OD1-N 3.08Å; D275-K391 WeakPolarHBondContact OD2-CB 3.35Å; D275-K391 PolarHBondContact OD2-N 2.93Å
392T98.4Very high98.1Very high61 Ų6133.3 Ų33.337%0.37416%0.161SC..SBendtrans-133.791.8178.7-51.90000108.8A274 D275A274-T392 WeakPolarHBondContact CA-O 3.34Å; A274-T392 WeakPolarHBondContact CB-O 3.3Å; D275-T392 PolarHBondContact N-O 3.46Å; D275-T392 VanDerWaalsContact N-O 3.15Å; D275-T392 VanDerWaalsContact OD1-C 3.24Å; D275-T392 WeakPolarHBondContact OD1-CA 3.42Å; D275-T392 PolarHBondContact OD1-N 2.98Å
393F98.8Very high98.2Very high8 Ų832.3 Ų32.34%0.03516%0.157CC..EExtended strand (participates in β ladder)trans-90.4137.4175.9-174.3-100.6000111.7C276 A278 V293 Y300 F387 A390 V395C276-F393 HydrophobicContact CB-CD2 3.96Å; C276-F393 WeakPolarHBondContact O-CA 3.46Å; A278-F393 HydrophobicContact CB-CE2 4.2Å; A278-F393 HydrophobicContact CB-CZ 3.71Å; V293-F393 HydrophobicContact CG1-CE1 3.9Å; V293-F393 HydrophobicContact CG1-CZ 4.01Å; Y300-F393 AromaticContact CD1-CD1 3.58Å; Y300-F393 HydrophobicContact CD1-CD1 3.58Å; Y300-F393 AromaticContact CD1-CE1 3.89Å; Y300-F393 HydrophobicContact CD1-CE1 3.89Å; Y300-F393 HydrophobicContact CD2-CB 3.49Å; Y300-F393 VanDerWaalsContact CD2-CB 3.49Å; Y300-F393 AromaticContact CD2-CD1 3.61Å; Y300-F393 HydrophobicContact CD2-CD1 3.61Å; Y300-F393 AromaticContact CD2-CG 3.8Å; Y300-F393 HydrophobicContact CD2-CG 3.8Å; Y300-F393 HydrophobicContact CE1-CD1 4.09Å; Y300-F393 HydrophobicContact CE2-CB 3.91Å; Y300-F393 HydrophobicContact CE2-CD1 4.11Å; Y300-F393 HydrophobicContact CE2-CG 4.44Å; Y300-F393 HydrophobicContact CG-CB 4.06Å; Y300-F393 AromaticContact CG-CD1 3.3Å; Y300-F393 HydrophobicContact CG-CD1 3.3Å; Y300-F393 AromaticContact CG-CE1 3.87Å; Y300-F393 HydrophobicContact CG-CE1 3.87Å; Y300-F393 AromaticContact CG-CG 3.83Å; Y300-F393 HydrophobicContact CG-CG 3.83Å; F387-F393 HydrophobicContact CB-CD2 4.27Å; F387-F393 HydrophobicContact CB-CE2 3.9Å; F387-F393 HydrophobicContact CB-CZ 4.48Å; F387-F393 AromaticContact CD1-CE2 3.87Å; F387-F393 HydrophobicContact CD1-CE2 3.87Å; F387-F393 AromaticContact CD2-CE2 3.54Å; F387-F393 HydrophobicContact CD2-CE2 3.54Å; F387-F393 AromaticContact CD2-CZ 3.6Å; F387-F393 HydrophobicContact CD2-CZ 3.6Å; F387-F393 HydrophobicContact CE1-CE2 4.26Å; F387-F393 AromaticContact CE2-CE2 3.95Å; F387-F393 HydrophobicContact CE2-CE2 3.95Å; F387-F393 AromaticContact CE2-CZ 3.9Å; F387-F393 HydrophobicContact CE2-CZ 3.9Å; F387-F393 HydrophobicContact CG-CD2 4.28Å; F387-F393 AromaticContact CG-CE2 3.49Å; F387-F393 HydrophobicContact CG-CE2 3.49Å; F387-F393 VanDerWaalsContact CG-CE2 3.49Å; F387-F393 HydrophobicContact CG-CZ 4.05Å; F387-F393 HydrophobicContact CZ-CE2 4.29Å; A390-F393 HydrophobicContact CB-CB 4.07Å; A390-F393 HydrophobicContact CB-CD2 4.38Å; F393-V395 HydrophobicContact CD1-CG2 4.15Å; F393-V395 HydrophobicContact CE1-CG2 3.4Å; F393-V395 HydrophobicContact CZ-CG2 4.12Å
394V98.9Very high98.3Very high4 Ų433.3 Ų33.32%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-131.2154.7174.3-61.80000112.1V77 F268 C269 K272 A274 C276 G277 A278V77-V394 WeakPolarHBondContact O-CA 3.48Å; F268-V394 HydrophobicContact CD1-CG2 4.21Å; F268-V394 HydrophobicContact CE1-CB 3.74Å; F268-V394 HydrophobicContact CE1-CG2 3.57Å; F268-V394 HydrophobicContact CZ-CB 4.02Å; F268-V394 HydrophobicContact CZ-CG2 4.31Å; C269-V394 HydrophobicContact CB-CG2 4.49Å; K272-V394 HydrophobicContact CB-CG1 3.88Å; K272-V394 HydrophobicContact CG-CG1 4.25Å; A274-V394 HydrophobicContact CB-CB 4.37Å; A274-V394 HydrophobicContact CB-CG1 3.95Å; A274-V394 HydrophobicContact CB-CG2 3.55Å; C276-V394 PolarHBondContact O-N 2.9Å; C276-V394 VanDerWaalsContact O-N 3.1Å; G277-V394 CarbonylContact C-O 3.55Å; G277-V394 WeakPolarHBondContact CA-O 3.25Å; A278-V394 PolarHBondContact N-O 3.21Å
395V98.9Very high98.3Very high0 Ų033.5 Ų33.50%016%0.164CC..EExtended strand (participates in β ladder)trans-120.4138.5176.3-176.30000109.1V73 V77 L78 G79 A278 V280 V293 F393V73-V395 HydrophobicContact CG1-CB 4.06Å; V73-V395 HydrophobicContact CG1-CG2 3.66Å; V73-V395 HydrophobicContact CG2-CG2 4.23Å; V77-V395 PolarHBondContact O-N 3.31Å; L78-V395 CarbonylContact C-O 3.6Å; L78-V395 WeakPolarHBondContact CA-O 3.41Å; L78-V395 HydrophobicContact CD1-CB 3.66Å; L78-V395 HydrophobicContact CD1-CG1 3.42Å; L78-V395 VanDerWaalsContact CD1-CG1 3.42Å; G79-V395 PolarHBondContact N-O 3.08Å; A278-V395 CarbonylContact O-C 3.51Å; A278-V395 WeakPolarHBondContact O-CA 3.42Å; V280-V395 HydrophobicContact CB-CG1 4.29Å; V280-V395 HydrophobicContact CG1-CG1 3.79Å; V280-V395 HydrophobicContact CG2-CG1 3.48Å; V280-V395 VanDerWaalsContact CG2-CG1 3.48Å; V293-V395 HydrophobicContact CG1-CG2 3.95Å; F393-V395 HydrophobicContact CD1-CG2 4.15Å; F393-V395 HydrophobicContact CE1-CG2 3.4Å; F393-V395 HydrophobicContact CZ-CG2 4.12Å
396Y98.9Very high98.3Very high1 Ų132.9 Ų32.90%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-126108.4-178.9-169.6-112.5000110.8G79 V81 L88 W91 T264 F265 F268 A278 K279 V280 V398G79-Y396 WeakPolarHBondContact O-CA 3.48Å; V81-Y396 HydrophobicContact CG1-CE1 3.93Å; V81-Y396 WeakPolarHBondContact CG1-OH 3.2Å; L88-Y396 WeakPolarHBondContact CD2-OH 3.35Å; W91-Y396 AromaticContact CE3-CE2 3.84Å; W91-Y396 HydrophobicContact CE3-CE2 3.84Å; W91-Y396 AromaticContact CZ3-CE2 3.6Å; W91-Y396 HydrophobicContact CZ3-CE2 3.6Å; T264-Y396 WeakPolarHBondContact CG2-OH 3.42Å; F265-Y396 HydrophobicContact CB-CD1 4.02Å; F265-Y396 HydrophobicContact CB-CE1 4.23Å; F265-Y396 AromaticContact CD2-CD1 3.72Å; F265-Y396 HydrophobicContact CD2-CD1 3.72Å; F265-Y396 AromaticContact CD2-CG 3.79Å; F265-Y396 HydrophobicContact CD2-CG 3.79Å; F265-Y396 HydrophobicContact CE2-CG 4.45Å; F265-Y396 HydrophobicContact CG-CD1 4.22Å; F268-Y396 HydrophobicContact CB-CD2 4.2Å; F268-Y396 HydrophobicContact CB-CE2 4.25Å; F268-Y396 AromaticContact CD1-CD2 3.61Å; F268-Y396 HydrophobicContact CD1-CD2 3.61Å; F268-Y396 HydrophobicContact CD1-CE2 4.45Å; F268-Y396 HydrophobicContact CD1-CG 4.01Å; F268-Y396 HydrophobicContact CD2-CD2 4.12Å; F268-Y396 HydrophobicContact CD2-CE2 4.41Å; F268-Y396 AromaticContact CE1-CD2 3.94Å; F268-Y396 HydrophobicContact CE1-CD2 3.94Å; F268-Y396 HydrophobicContact CE1-CG 4.33Å; F268-Y396 HydrophobicContact CE2-CD2 4.41Å; F268-Y396 AromaticContact CG-CD2 3.7Å; F268-Y396 HydrophobicContact CG-CD2 3.7Å; F268-Y396 HydrophobicContact CG-CE2 4.12Å; F268-Y396 HydrophobicContact CG-CG 4.47Å; F268-Y396 HydrophobicContact CZ-CD2 4.33Å; A278-Y396 PolarHBondContact O-N 3.02Å; K279-Y396 CarbonylContact C-O 3.53Å; K279-Y396 VanDerWaalsContact CA-O 3.29Å; K279-Y396 WeakPolarHBondContact CA-O 3.32Å; K279-Y396 HydrophobicContact CG-CD1 4.49Å; V280-Y396 PolarHBondContact N-O 3.09Å; Y396-V398 HydrophobicContact CD1-CG1 3.64Å; Y396-V398 HydrophobicContact CE1-CG1 3.56Å
397E98.8Very high98.2Very high21 Ų2132.9 Ų32.910%0.09816%0.161CC..EExtended strand (participates in β ladder)trans-86.2127.3-178.1179.6-177.1-13200111.4L78 G79 S80 V81 R83 V280L78-E397 HydrophobicContact CD1-CB 4.23Å; G79-E397 PolarHBondContact O-N 3.14Å; S80-E397 WeakPolarHBondContact CA-O 3.32Å; S80-E397 WeakPolarHBondContact CB-OE2 3.31Å; S80-E397 PolarHBondContact OG-OE2 3.39Å; V81-E397 PolarHBondContact N-O 3.41Å; R83-E397 IonicContact CZ-OE2 3.68Å; R83-E397 IonicContact NE-OE2 3.68Å; R83-E397 IonicContact NH2-OE2 3.83Å; R83-E397 PolarHBondContact NH2-OE2 3.45Å; V280-E397 HydrophobicContact CG2-CB 4.09Å; V280-E397 WeakPolarHBondContact O-CA 3.35Å
398V98.8Very high97.8Very high5 Ų536.4 Ų36.43%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-123.1164.2179.8-56.60000111.6V81 K279 V280 V281 Y396 E403V81-V398 HydrophobicContact CG1-CB 4.37Å; V81-V398 HydrophobicContact CG1-CG1 3.92Å; K279-V398 HydrophobicContact CD-CG1 3.9Å; K279-V398 HydrophobicContact CD-CG2 4.02Å; K279-V398 HydrophobicContact CG-CG1 3.88Å; K279-V398 HydrophobicContact CG-CG2 3.91Å; V280-V398 WeakPolarHBondContact O-CG2 3.45Å; V280-V398 PolarHBondContact O-N 3.32Å; V281-V398 HydrophobicContact CG1-CG2 3.85Å; Y396-V398 HydrophobicContact CD1-CG1 3.64Å; Y396-V398 HydrophobicContact CE1-CG1 3.56Å; V398-E403 HydrophobicContact CB-CB 4.33Å; V398-E403 HydrophobicContact CB-CG 4.19Å; V398-E403 VanDerWaalsContact CG1-OE1 3.27Å; V398-E403 WeakPolarHBondContact CG1-OE1 3.25Å; V398-E403 HydrophobicContact CG2-CB 3.7Å; V398-E403 HydrophobicContact CG2-CG 4.1Å
399L98.5Very high97.6Very high55 Ų5534 Ų3429%0.28817%0.165SC..  trans-77.5132.3172.8-67.9177.9000110.1V81 T82 E401 D402 E403V81-L399 HydrophobicContact CG2-CG 4.01Å; T82-L399 HydrophobicContact CG2-CD1 4.34Å; T82-L399 HydrophobicContact CG2-CD2 3.64Å; T82-L399 HydrophobicContact CG2-CG 4.02Å; L399-E401 VanDerWaalsContact C-N 3.35Å; L399-E401 HydrophobicContact CB-CG 4.38Å; L399-E401 PolarHBondContact O-N 3.22Å; L399-D402 HydrophobicContact CB-CB 4.36Å; L399-D402 PolarHBondContact O-N 3.46Å; L399-E403 PolarHBondContact O-N 3.38Å; L399-E403 VanDerWaalsContact O-N 3.16Å
400R98.1Very high97.2Very high71 Ų7133.6 Ų33.627%0.26817%0.166SC..Hα-helixtrans-62.4-45.1-177.4174.6-177.5-61-101.40.1111.4V281 E282 E288 D402 E403 F404V281-R400 HydrophobicContact CB-CB 4.31Å; V281-R400 HydrophobicContact CG1-CB 4.14Å; E282-R400 PolarHBondContact O-NH2 3.32Å; E288-R400 IonicContact OE1-CZ 3.71Å; E288-R400 IonicContact OE1-NH1 3.56Å; E288-R400 PolarHBondContact OE1-NH1 3.37Å; E288-R400 IonicContact OE1-NH2 2.83Å; E288-R400 PolarHBondContact OE1-NH2 3.4Å; E288-R400 IonicContact OE2-CZ 3.31Å; E288-R400 IonicContact OE2-NH2 2.78Å; E288-R400 PolarHBondContact OE2-NH2 3.42Å; R400-D402 PolarHBondContact O-N 3.17Å; R400-D402 VanDerWaalsContact O-N 3.12Å; R400-E403 PolarHBondContact O-N 2.9Å; R400-F404 HydrophobicContact CG-CB 4.27Å; R400-F404 HydrophobicContact CG-CD1 4.37Å; R400-F404 VanDerWaalsContact CG-O 3.3Å; R400-F404 WeakPolarHBondContact CG-O 3.07Å; R400-F404 CarbonylContact O-C 3.55Å; R400-F404 PolarHBondContact O-N 2.91Å
401E97.6Very high96.8Very high95 Ų9536.2 Ų36.244%0.44418%0.177SC..Hα-helixtrans-61.7-17.7-178.861-89.7-147.900113.4L399 R432L399-E401 VanDerWaalsContact C-N 3.35Å; L399-E401 HydrophobicContact CB-CG 4.38Å; L399-E401 PolarHBondContact O-N 3.22Å; E401-R432 PolarHBondContact O-NH2 3.4Å
402D98.2Very high96.2Very high49 Ų4933.6 Ų33.626%0.26219%0.186SC..Hα-helixtrans-100.4-29178-62.5-15.6000112.6L399 R400 L429 R432L399-D402 HydrophobicContact CB-CB 4.36Å; L399-D402 PolarHBondContact O-N 3.46Å; R400-D402 PolarHBondContact O-N 3.17Å; R400-D402 VanDerWaalsContact O-N 3.12Å; D402-L429 HydrophobicContact CB-CD1 4.38Å; D402-L429 WeakPolarHBondContact OD1-CD1 3.28Å; D402-R432 IonicContact OD1-CZ 2.73Å; D402-R432 IonicContact OD1-NH1 2.79Å; D402-R432 PolarHBondContact OD1-NH1 3.43Å; D402-R432 IonicContact OD1-NH2 2.95Å; D402-R432 PolarHBondContact OD1-NH2 2.8Å
403E98.7Very high95.3Very high14 Ų1435 Ų357%0.06519%0.188CC..Hα-helixtrans-133.9-6.3-165.4-62.8-153-139.900115.8N255 K259 K279 V398 L399 R400N255-E403 PolarHBondContact ND2-O 3.37Å; K259-E403 HydrophobicContact CD-CG 3.74Å; K259-E403 WeakPolarHBondContact CD-OE2 3.05Å; K259-E403 HydrophobicContact CG-CG 4.12Å; K279-E403 WeakPolarHBondContact CD-OE2 3.39Å; K279-E403 WeakPolarHBondContact CE-OE2 3.49Å; K279-E403 IonicContact NZ-OE1 2.86Å; K279-E403 IonicContact NZ-OE2 2.73Å; K279-E403 PolarHBondContact NZ-OE2 3.49Å; V398-E403 HydrophobicContact CB-CB 4.33Å; V398-E403 HydrophobicContact CB-CG 4.19Å; V398-E403 VanDerWaalsContact CG1-OE1 3.27Å; V398-E403 WeakPolarHBondContact CG1-OE1 3.25Å; V398-E403 HydrophobicContact CG2-CB 3.7Å; V398-E403 HydrophobicContact CG2-CG 4.1Å; L399-E403 PolarHBondContact O-N 3.38Å; L399-E403 VanDerWaalsContact O-N 3.16Å; R400-E403 PolarHBondContact O-N 2.9Å
404F98.6Very high93.8Very high21 Ų2141 Ų419%0.09222%0.221CC..  trans-145104.5-176.3-171.4-118.1000114.5V281 V329 R400 P406V281-F404 HydrophobicContact CG1-CB 3.92Å; V281-F404 HydrophobicContact CG2-CD1 4.12Å; V329-F404 HydrophobicContact CB-CD2 3.57Å; V329-F404 HydrophobicContact CB-CE2 3.77Å; V329-F404 HydrophobicContact CB-CG 4.04Å; V329-F404 HydrophobicContact CB-CZ 4.38Å; V329-F404 HydrophobicContact CG1-CB 4.05Å; V329-F404 HydrophobicContact CG1-CD1 3.78Å; V329-F404 HydrophobicContact CG1-CD2 3.6Å; V329-F404 HydrophobicContact CG1-CE1 4.05Å; V329-F404 HydrophobicContact CG1-CE2 3.89Å; V329-F404 HydrophobicContact CG1-CG 3.54Å; V329-F404 HydrophobicContact CG1-CZ 4.1Å; R400-F404 HydrophobicContact CG-CB 4.27Å; R400-F404 HydrophobicContact CG-CD1 4.37Å; R400-F404 VanDerWaalsContact CG-O 3.3Å; R400-F404 WeakPolarHBondContact CG-O 3.07Å; R400-F404 CarbonylContact O-C 3.55Å; R400-F404 PolarHBondContact O-N 2.91Å; F404-P406 HydrophobicContact CE1-CG 3.96Å; F404-P406 HydrophobicContact CE2-CB 4Å; F404-P406 HydrophobicContact CE2-CG 3.99Å; F404-P406 HydrophobicContact CZ-CB 4.03Å; F404-P406 HydrophobicContact CZ-CG 3.58Å
405S97.9Very high93Very high11 Ų1143.3 Ų43.38%0.07725%0.245CC..  trans-140.393.4165.7-173.10000108.8N255 I256 T421 A425N255-S405 PolarHBondContact OD1-N 3.01Å; N255-S405 PolarHBondContact OD1-O 3.39Å; I256-S405 PolarHBondContact N-O 3.36Å; S405-T421 PolarHBondContact OG-O 3.01Å; S405-A425 WeakPolarHBondContact OG-CB 3.49Å
406P96.3Very high92.5Very high4 Ų449.5 Ų49.53%0.02627%0.272CS..BIsolated β-bridgetrans-80.4154.2-173.633.5-36000112.6D254 F404 K408 D417D254-P406 CarbonylContact O-C 3.59Å; D254-P406 WeakPolarHBondContact O-CA 3.34Å; F404-P406 HydrophobicContact CE1-CG 3.96Å; F404-P406 HydrophobicContact CE2-CB 4Å; F404-P406 HydrophobicContact CE2-CG 3.99Å; F404-P406 HydrophobicContact CZ-CB 4.03Å; F404-P406 HydrophobicContact CZ-CG 3.58Å; P406-K408 HydrophobicContact CB-CG 4.23Å; P406-D417 HydrophobicContact CG-CB 4.1Å; P406-D417 WeakPolarHBondContact CG-OD1 3.22Å; P406-D417 CarbonylContact O-C 3.57Å; P406-D417 WeakPolarHBondContact O-CA 3.31Å; P406-D417 WeakPolarHBondContact O-CB 3.44Å
407L95.1Very high92.2Very high1 Ų152 Ų521%0.00529%0.285CS..  trans-10997.7173.9177.362.5000109.8L117 K123 Y126 V128 L136 D254 P419L117-L407 HydrophobicContact CD1-CD1 4.23Å; L117-L407 HydrophobicContact CD1-CD2 3.75Å; L117-L407 HydrophobicContact CD1-CG 3.78Å; L117-L407 HydrophobicContact CD2-CD1 3.89Å; L117-L407 HydrophobicContact CD2-CG 4.07Å; K123-L407 WeakPolarHBondContact CE-O 3.35Å; K123-L407 HydrophobicContact CG-CD2 4.37Å; K123-L407 PolarHBondContact NZ-O 3.1Å; Y126-L407 HydrophobicContact CD1-CD2 3.72Å; Y126-L407 HydrophobicContact CE1-CD2 4.3Å; Y126-L407 HydrophobicContact CG-CD2 3.87Å; V128-L407 HydrophobicContact CG1-CD2 4Å; L136-L407 HydrophobicContact CD1-CD2 4.1Å; D254-L407 HydrophobicContact CB-CB 4.47Å; D254-L407 WeakPolarHBondContact O-CB 3.33Å; D254-L407 PolarHBondContact O-N 2.91Å; L407-P419 HydrophobicContact CD1-CB 4.39Å; L407-P419 VanDerWaalsContact CD1-CD 3.5Å; L407-P419 HydrophobicContact CD1-CG 3.76Å; L407-P419 VanDerWaalsContact CD1-N 3.32Å
408K91.4Very high92.1Very high74 Ų7451.2 Ų51.232%0.32228%0.282SS..  trans-117-34-176.1-57.7-64.3-174.8-1790113.4D254 P406 D417D254-K408 IonicContact OD1-NZ 3.22Å; D254-K408 PolarHBondContact OD1-NZ 3.5Å; D254-K408 VanDerWaalsContact OD1-NZ 3.14Å; D254-K408 VanDerWaalsContact OD2-CD 3.28Å; D254-K408 WeakPolarHBondContact OD2-CD 3.43Å; D254-K408 WeakPolarHBondContact OD2-CE 3.48Å; D254-K408 IonicContact OD2-NZ 2.74Å; D254-K408 PolarHBondContact OD2-NZ 3.02Å; P406-K408 HydrophobicContact CB-CG 4.23Å; K408-D417 HydrophobicContact CB-CB 3.93Å; K408-D417 HydrophobicContact CG-CB 4Å; K408-D417 PolarHBondContact N-O 2.99Å
409N92.3Very high91.9Very high11 Ų1151.2 Ų51.26%0.05928%0.282CS..SBendtrans-124.5152.9-168.1-55-49.4000111.6R116 L117 Q413 K416 D417 T418 P419R116-N409 PolarHBondContact NH2-OD1 2.81Å; L117-N409 VanDerWaalsContact CD2-O 3.25Å; L117-N409 WeakPolarHBondContact CD2-O 3.36Å; N409-Q413 HydrophobicContact CB-CB 4.24Å; N409-K416 PolarHBondContact ND2-O 2.84Å; N409-D417 PolarHBondContact N-O 3.48Å; N409-T418 HydrophobicContact CB-CG2 4.37Å; N409-T418 WeakPolarHBondContact O-CA 3.49Å; N409-P419 WeakPolarHBondContact O-CD 3.36Å
410A91.4Very high91.8Very high18 Ų1850.3 Ų50.315%0.14928%0.278CS..  trans-70.9155.6169.100000110.5A412 Q413A410-A412 PolarHBondContact O-N 3.11Å; A410-A412 VanDerWaalsContact O-N 3.15Å; A410-Q413 HydrophobicContact CB-CG 4.35Å; A410-Q413 WeakPolarHBondContact O-CB 3.44Å; A410-Q413 PolarHBondContact O-N 3.2Å
411D89.7Confident91.6Very high77 Ų7749 Ų4941%0.41228%0.279SS..THydrogen-bonded Turntrans-58.9-28.3177.7-80.3-37.9000113.2Q413 T418 T420D411-Q413 PolarHBondContact O-N 3.36Å; D411-T418 WeakPolarHBondContact OD1-CB 3.39Å; D411-T418 PolarHBondContact OD1-OG1 2.86Å; D411-T420 WeakPolarHBondContact OD1-CB 3.48Å; D411-T420 PolarHBondContact OD1-N 2.83Å; D411-T420 VanDerWaalsContact OD1-N 3.17Å; D411-T420 PolarHBondContact OD1-OG1 2.69Å; D411-T420 PolarHBondContact OD2-OG1 2.75Å
412A85.4Confident91.6Very high105 Ų10544.6 Ų44.687%0.86826%0.258SS*.THydrogen-bonded Turntrans-74.6-3.7177.500000114.5A410A410-A412 PolarHBondContact O-N 3.11Å; A410-A412 VanDerWaalsContact O-N 3.15Å
413Q79.7Confident91.6Very high90 Ų9045 Ų4542%0.42126%0.256SS..SBendtrans-99.3-151.4-179.3-65.6171.1600111.1R116 N409 A410 D411 G415R116-Q413 PolarHBondContact O-NE2 2.99Å; N409-Q413 HydrophobicContact CB-CB 4.24Å; A410-Q413 HydrophobicContact CB-CG 4.35Å; A410-Q413 WeakPolarHBondContact O-CB 3.44Å; A410-Q413 PolarHBondContact O-N 3.2Å; D411-Q413 PolarHBondContact O-N 3.36Å; Q413-G415 PolarHBondContact O-N 3.36Å
414D67.1Low91.4Very high135 Ų13548.1 Ų48.172%0.72227%0.27SS*.SBendtrans-57.114.4-168.9-60.3-39.1000117.6K416D414-K416 PolarHBondContact O-N 2.57Å
415G80.8Confident91.3Very high51 Ų5148.3 Ų48.353%0.52628%0.276SS..SBendtrans65.44.517400000115.6Q413Q413-G415 PolarHBondContact O-N 3.36Å
416K88.9Confident91.4Very high130 Ų13047.9 Ų47.957%0.56527%0.273SS*.SBendtrans-126149.1-178.9-64-179.5-175.8175.70111N409 D414 T418N409-K416 PolarHBondContact ND2-O 2.84Å; D414-K416 PolarHBondContact O-N 2.57Å; K416-T418 VanDerWaalsContact C-N 3.31Å; K416-T418 VanDerWaalsContact O-CG2 3.31Å; K416-T418 WeakPolarHBondContact O-CG2 3.41Å; K416-T418 PolarHBondContact O-N 3.2Å
417D93.1Very high91.4Very high55 Ų5548.1 Ų48.129%0.29427%0.273SS..SBendtrans54.246.4177.7-50.8-33000112.3P406 K408 N409 T421P406-D417 HydrophobicContact CG-CB 4.1Å; P406-D417 WeakPolarHBondContact CG-OD1 3.22Å; P406-D417 CarbonylContact O-C 3.57Å; P406-D417 WeakPolarHBondContact O-CA 3.31Å; P406-D417 WeakPolarHBondContact O-CB 3.44Å; K408-D417 HydrophobicContact CB-CB 3.93Å; K408-D417 HydrophobicContact CG-CB 4Å; K408-D417 PolarHBondContact N-O 2.99Å; N409-D417 PolarHBondContact N-O 3.48Å; D417-T421 WeakPolarHBondContact CA-OG1 3.41Å; D417-T421 PolarHBondContact N-OG1 2.79Å
418T95.7Very high91.4Very high4 Ų450.9 Ų50.93%0.02529%0.293CS..SBendtrans-110170.5-175.778.90000111.7N409 D411 K416 T420 T421 A422N409-T418 HydrophobicContact CB-CG2 4.37Å; N409-T418 WeakPolarHBondContact O-CA 3.49Å; D411-T418 WeakPolarHBondContact OD1-CB 3.39Å; D411-T418 PolarHBondContact OD1-OG1 2.86Å; K416-T418 VanDerWaalsContact C-N 3.31Å; K416-T418 VanDerWaalsContact O-CG2 3.31Å; K416-T418 WeakPolarHBondContact O-CG2 3.41Å; K416-T418 PolarHBondContact O-N 3.2Å; T418-T420 PolarHBondContact O-N 3.48Å; T418-T420 PolarHBondContact OG1-N 2.89Å; T418-T421 PolarHBondContact N-OG1 2.8Å; T418-T421 PolarHBondContact O-N 2.89Å; T418-T421 PolarHBondContact O-OG1 2.95Å; T418-T421 VanDerWaalsContact O-OG1 3.08Å; T418-T421 PolarHBondContact OG1-N 2.91Å; T418-A422 WeakPolarHBondContact O-CB 3.46Å; T418-A422 PolarHBondContact O-N 2.83Å
419P96Very high91.7Very high4 Ų447.6 Ų47.63%0.02628%0.279CS..Hα-helixtrans-52.7-39.1170.7-26.334.7000112.3Y126 V128 L407 N409 A422 R423Y126-P419 HydrophobicContact CE1-CB 3.99Å; Y126-P419 HydrophobicContact CE1-CG 3.61Å; Y126-P419 WeakPolarHBondContact OH-CG 3.37Å; V128-P419 HydrophobicContact CB-CB 4.28Å; V128-P419 HydrophobicContact CG1-CB 4.46Å; L407-P419 HydrophobicContact CD1-CB 4.39Å; L407-P419 VanDerWaalsContact CD1-CD 3.5Å; L407-P419 HydrophobicContact CD1-CG 3.76Å; L407-P419 VanDerWaalsContact CD1-N 3.32Å; N409-P419 WeakPolarHBondContact O-CD 3.36Å; P419-A422 PolarHBondContact O-N 2.8Å; P419-R423 WeakPolarHBondContact O-CG 3.42Å; P419-R423 PolarHBondContact O-N 2.96Å
420T95.2Very high92Very high36 Ų3647.3 Ų47.322%0.22128%0.277CS..Hα-helixtrans-62-49.8176.8-620000113.2D411 T418 A422 R423 H424D411-T420 WeakPolarHBondContact OD1-CB 3.48Å; D411-T420 PolarHBondContact OD1-N 2.83Å; D411-T420 VanDerWaalsContact OD1-N 3.17Å; D411-T420 PolarHBondContact OD1-OG1 2.69Å; D411-T420 PolarHBondContact OD2-OG1 2.75Å; T418-T420 PolarHBondContact O-N 3.48Å; T418-T420 PolarHBondContact OG1-N 2.89Å; T420-A422 VanDerWaalsContact C-N 3.31Å; T420-A422 PolarHBondContact O-N 3.13Å; T420-R423 VanDerWaalsContact CA-CZ 3.49Å; T420-R423 VanDerWaalsContact CA-NH1 3.28Å; T420-R423 VanDerWaalsContact CG2-NH2 3.27Å; T420-R423 WeakPolarHBondContact O-CG 3.25Å; T420-R423 VanDerWaalsContact OG1-CZ 3.3Å; T420-R423 PolarHBondContact OG1-NH1 2.81Å; T420-R423 VanDerWaalsContact OG1-NH1 3.07Å; T420-R423 PolarHBondContact OG1-NH2 3.42Å; T420-H424 WeakPolarHBondContact O-CB 3.32Å; T420-H424 VanDerWaalsContact O-CG 3.29Å; T420-H424 PolarHBondContact O-N 2.95Å; T420-H424 VanDerWaalsContact O-N 3.12Å
421T95.6Very high92.2Very high45 Ų4547 Ų4728%0.27627%0.273SS..Hα-helixtrans-67-35.817960.40000111.6S405 D417 T418 A425S405-T421 PolarHBondContact OG-O 3.01Å; D417-T421 WeakPolarHBondContact CA-OG1 3.41Å; D417-T421 PolarHBondContact N-OG1 2.79Å; T418-T421 PolarHBondContact N-OG1 2.8Å; T418-T421 PolarHBondContact O-N 2.89Å; T418-T421 PolarHBondContact O-OG1 2.95Å; T418-T421 VanDerWaalsContact O-OG1 3.08Å; T418-T421 PolarHBondContact OG1-N 2.91Å; T421-A425 VanDerWaalsContact O-CB 3.25Å; T421-A425 WeakPolarHBondContact O-CB 3.5Å; T421-A425 PolarHBondContact O-N 3.34Å
422A97.1Very high92.5Very high1 Ų146.8 Ų46.81%0.00827%0.266CS..Hα-helixtrans-62.7-54.2177.200000112V128 I256 T418 P419 T420 H424 A425 L426V128-A422 HydrophobicContact CG1-CB 4.21Å; I256-A422 HydrophobicContact CB-CB 4.41Å; I256-A422 HydrophobicContact CD1-CB 4.35Å; I256-A422 HydrophobicContact CG2-CB 3.98Å; T418-A422 WeakPolarHBondContact O-CB 3.46Å; T418-A422 PolarHBondContact O-N 2.83Å; P419-A422 PolarHBondContact O-N 2.8Å; T420-A422 VanDerWaalsContact C-N 3.31Å; T420-A422 PolarHBondContact O-N 3.13Å; A422-H424 VanDerWaalsContact C-N 3.35Å; A422-H424 PolarHBondContact O-N 3Å; A422-A425 PolarHBondContact O-N 3.39Å; A422-L426 PolarHBondContact O-N 2.97Å; A422-L426 VanDerWaalsContact O-N 3.16Å
423R96.8Very high93.1Very high59 Ų5943.1 Ų43.122%0.22323%0.23CC..Hα-helixtrans-62.4-41-179.972.3173.8177.6-94-5.9112.1V128 L130 P419 T420 L426 M427V128-R423 HydrophobicContact CB-CB 4.43Å; V128-R423 HydrophobicContact CG2-CB 3.9Å; V128-R423 WeakPolarHBondContact O-CD 3.34Å; L130-R423 HydrophobicContact CD2-CB 3.97Å; P419-R423 WeakPolarHBondContact O-CG 3.42Å; P419-R423 PolarHBondContact O-N 2.96Å; T420-R423 VanDerWaalsContact CA-CZ 3.49Å; T420-R423 VanDerWaalsContact CA-NH1 3.28Å; T420-R423 VanDerWaalsContact CG2-NH2 3.27Å; T420-R423 WeakPolarHBondContact O-CG 3.25Å; T420-R423 VanDerWaalsContact OG1-CZ 3.3Å; T420-R423 PolarHBondContact OG1-NH1 2.81Å; T420-R423 VanDerWaalsContact OG1-NH1 3.07Å; T420-R423 PolarHBondContact OG1-NH2 3.42Å; R423-L426 PolarHBondContact O-N 3.04Å; R423-M427 HydrophobicContact CB-CE 4.44Å; R423-M427 HydrophobicContact CG-CE 4.23Å; R423-M427 WeakPolarHBondContact O-CG 3.07Å; R423-M427 PolarHBondContact O-N 3.16Å
424H95.9Very high94Very high78 Ų7838.8 Ų38.836%0.36121%0.21SC..Hα-helixtrans-67.2-38.6-179.9-71.6175.3000111.6T420 A422 M427 S428T420-H424 WeakPolarHBondContact O-CB 3.32Å; T420-H424 VanDerWaalsContact O-CG 3.29Å; T420-H424 PolarHBondContact O-N 2.95Å; T420-H424 VanDerWaalsContact O-N 3.12Å; A422-H424 VanDerWaalsContact C-N 3.35Å; A422-H424 PolarHBondContact O-N 3Å; H424-M427 PolarHBondContact O-N 2.94Å; H424-S428 WeakPolarHBondContact O-CB 3.29Å; H424-S428 PolarHBondContact O-N 3.08Å
425A96.9Very high95.4Very high25 Ų2534.6 Ų34.621%0.20719%0.187CC..Hα-helixtrans-62.7-45.4176.800000111.8L257 S405 T421 A422 S428 L429L257-A425 HydrophobicContact CD1-CB 4.16Å; S405-A425 WeakPolarHBondContact OG-CB 3.49Å; T421-A425 VanDerWaalsContact O-CB 3.25Å; T421-A425 WeakPolarHBondContact O-CB 3.5Å; T421-A425 PolarHBondContact O-N 3.34Å; A422-A425 PolarHBondContact O-N 3.39Å; A425-S428 PolarHBondContact O-N 3.16Å; A425-L429 WeakPolarHBondContact O-CB 3.4Å; A425-L429 PolarHBondContact O-N 3.19Å
426L98.1Very high96.1Very high3 Ų338.8 Ų38.82%0.01620%0.197CC..Hα-helixtrans-64.4-44.9177.2-171.970.5000111.9L130 I139 I256 L257 A422 R423 S428 L429 H430L130-L426 HydrophobicContact CD1-CD2 3.57Å; L130-L426 HydrophobicContact CD2-CB 4.46Å; L130-L426 HydrophobicContact CD2-CD2 3.82Å; L130-L426 HydrophobicContact CG-CD2 4.35Å; I139-L426 HydrophobicContact CD1-CD2 4.48Å; I256-L426 HydrophobicContact CD1-CB 4.18Å; I256-L426 HydrophobicContact CD1-CD2 3.99Å; I256-L426 HydrophobicContact CG1-CB 4.46Å; I256-L426 HydrophobicContact CG1-CD2 4.12Å; L257-L426 HydrophobicContact CD2-CB 4.05Å; L257-L426 HydrophobicContact CD2-CD1 3.61Å; L257-L426 HydrophobicContact CD2-CG 4.45Å; A422-L426 PolarHBondContact O-N 2.97Å; A422-L426 VanDerWaalsContact O-N 3.16Å; R423-L426 PolarHBondContact O-N 3.04Å; L426-S428 VanDerWaalsContact C-N 3.32Å; L426-S428 PolarHBondContact O-N 3.08Å; L426-L429 WeakPolarHBondContact O-CB 3.26Å; L426-L429 PolarHBondContact O-N 2.8Å; L426-H430 PolarHBondContact O-N 3.48Å
427M96.8Very high96.5Very high8 Ų833 Ų334%0.03917%0.173CC..Hα-helixtrans-66-35.7178.8-68.1-174.1-63.600112.8L130 P131 R423 H424 H430 H431 K478 C479L130-M427 HydrophobicContact CD2-CG 4.4Å; P131-M427 HydrophobicContact CG-SD 4.29Å; R423-M427 HydrophobicContact CB-CE 4.44Å; R423-M427 HydrophobicContact CG-CE 4.23Å; R423-M427 WeakPolarHBondContact O-CG 3.07Å; R423-M427 PolarHBondContact O-N 3.16Å; H424-M427 PolarHBondContact O-N 2.94Å; M427-H430 PolarHBondContact O-N 3.01Å; M427-H431 WeakPolarHBondContact O-CB 3.42Å; M427-H431 PolarHBondContact O-N 3.28Å; M427-K478 HydrophobicContact SD-CB 3.95Å; M427-K478 HydrophobicContact SD-CG 4.1Å; M427-C479 WeakPolarHBondContact CA-O 3.3Å; M427-C479 WeakPolarHBondContact CB-O 3.24Å; M427-C479 WeakPolarHBondContact CG-O 3.49Å
428S96.2Very high96.7Very high60 Ų6031.6 Ų31.642%0.4217%0.173SC..Hα-helixtrans-66.4-40.1174.2-175.90000112H424 A425 L426 H431 R432H424-S428 WeakPolarHBondContact O-CB 3.29Å; H424-S428 PolarHBondContact O-N 3.08Å; A425-S428 PolarHBondContact O-N 3.16Å; L426-S428 VanDerWaalsContact C-N 3.32Å; L426-S428 PolarHBondContact O-N 3.08Å; S428-H431 PolarHBondContact O-N 2.79Å; S428-R432 WeakPolarHBondContact O-CG 3.37Å; S428-R432 PolarHBondContact O-N 3.39Å
429L97.6Very high96.8Very high4 Ų431.4 Ų31.42%0.02117%0.172CC..Hα-helixtrans-59.4-50173.2176.161.5000111.3L257 D402 A425 L426 H431 R432 W433L257-L429 HydrophobicContact CD2-CD2 3.9Å; D402-L429 HydrophobicContact CB-CD1 4.38Å; D402-L429 WeakPolarHBondContact OD1-CD1 3.28Å; A425-L429 WeakPolarHBondContact O-CB 3.4Å; A425-L429 PolarHBondContact O-N 3.19Å; L426-L429 WeakPolarHBondContact O-CB 3.26Å; L426-L429 PolarHBondContact O-N 2.8Å; L429-H431 PolarHBondContact O-N 3.43Å; L429-R432 VanDerWaalsContact CD1-NH2 3.32Å; L429-R432 WeakPolarHBondContact O-CB 3.38Å; L429-R432 PolarHBondContact O-N 3.45Å; L429-R432 VanDerWaalsContact O-N 3.14Å; L429-W433 HydrophobicContact CD1-CZ2 4.03Å; L429-W433 VanDerWaalsContact CD1-NE1 3.26Å; L429-W433 HydrophobicContact CD2-CH2 4.3Å; L429-W433 HydrophobicContact CD2-CZ2 3.68Å; L429-W433 HydrophobicContact CG-CD2 4.41Å; L429-W433 HydrophobicContact CG-CZ2 3.74Å; L429-W433 PolarHBondContact O-N 3.23Å
430H98Very high96.7Very high6 Ų634.2 Ų34.23%0.02818%0.184CC..Hα-helixtrans-65.9-37.2179.7-64.7162.4000112.8L426 M427 R432 W433 V434 C479 I481L426-H430 PolarHBondContact O-N 3.48Å; M427-H430 PolarHBondContact O-N 3.01Å; H430-R432 VanDerWaalsContact C-N 3.33Å; H430-R432 PolarHBondContact O-N 3.06Å; H430-W433 AromaticContact CD2-CE3 3.46Å; H430-W433 VanDerWaalsContact CD2-CE3 3.46Å; H430-W433 AromaticContact CD2-CH2 3.94Å; H430-W433 AromaticContact CD2-CZ3 3.38Å; H430-W433 WeakPolarHBondContact CD2-CZ3 3.04Å; H430-W433 AromaticContact NE2-CH2 3.99Å; H430-W433 AromaticContact NE2-CZ3 3.6Å; H430-W433 WeakPolarHBondContact O-CB 3.49Å; H430-W433 PolarHBondContact O-N 2.92Å; H430-W433 VanDerWaalsContact O-N 3.15Å; H430-V434 PolarHBondContact O-N 3.04Å; H430-C479 HydrophobicContact CB-CB 4.29Å; H430-C479 WeakPolarHBondContact CB-O 3.41Å; H430-I481 HydrophobicContact CB-CB 4.44Å; H430-I481 HydrophobicContact CB-CD1 3.97Å; H430-I481 HydrophobicContact CB-CG1 4.04Å; H430-I481 PolarHBondContact CE1-N 2.85Å; H430-I481 PolarHBondContact CE1-O 3.46Å; H430-I481 PolarHBondContact ND1-N 2.97Å
431H95.9Very high96.5Very high12 Ų1232.7 Ų32.76%0.05617%0.174CC..Hα-helixtrans-55.5-48.6169.9170.2-152.3000111M427 S428 L429 W433 V434 L435 F441 A451 I477 C479M427-H431 WeakPolarHBondContact O-CB 3.42Å; M427-H431 PolarHBondContact O-N 3.28Å; S428-H431 PolarHBondContact O-N 2.79Å; L429-H431 PolarHBondContact O-N 3.43Å; H431-W433 VanDerWaalsContact C-N 3.31Å; H431-W433 PolarHBondContact O-N 3.32Å; H431-V434 PolarHBondContact O-N 3.47Å; H431-L435 VanDerWaalsContact NE2-CD1 3.32Å; H431-L435 WeakPolarHBondContact NE2-CD1 3.18Å; H431-L435 WeakPolarHBondContact O-CG 3.49Å; H431-L435 PolarHBondContact O-N 2.86Å; H431-L435 VanDerWaalsContact O-N 3.12Å; H431-F441 AromaticContact CD2-CD2 3.51Å; H431-F441 AromaticContact CD2-CE2 3.38Å; H431-F441 WeakPolarHBondContact CD2-CE2 3.37Å; H431-F441 AromaticContact NE2-CD2 3.82Å; H431-A451 PolarHBondContact CE1-O 3.05Å; H431-A451 VanDerWaalsContact CE1-O 3.23Å; H431-I477 HydrophobicContact CB-CG2 4.37Å; H431-I477 VanDerWaalsContact CE1-CD1 3.5Å; H431-I477 WeakPolarHBondContact CE1-CD1 3.45Å; H431-I477 WeakPolarHBondContact NE2-CD1 3.17Å; H431-C479 HydrophobicContact CB-CB 4.25Å
432R96.8Very high96.2Very high71 Ų7131.3 Ų31.327%0.26817%0.165SC..Hα-helixtrans-61.2-38.3176.1-70.9-176.3-67.4137.82.9112.2E401 D402 S428 L429 H430 L435 N436E401-R432 PolarHBondContact O-NH2 3.4Å; D402-R432 IonicContact OD1-CZ 2.73Å; D402-R432 IonicContact OD1-NH1 2.79Å; D402-R432 PolarHBondContact OD1-NH1 3.43Å; D402-R432 IonicContact OD1-NH2 2.95Å; D402-R432 PolarHBondContact OD1-NH2 2.8Å; S428-R432 WeakPolarHBondContact O-CG 3.37Å; S428-R432 PolarHBondContact O-N 3.39Å; L429-R432 VanDerWaalsContact CD1-NH2 3.32Å; L429-R432 WeakPolarHBondContact O-CB 3.38Å; L429-R432 PolarHBondContact O-N 3.45Å; L429-R432 VanDerWaalsContact O-N 3.14Å; H430-R432 VanDerWaalsContact C-N 3.33Å; H430-R432 PolarHBondContact O-N 3.06Å; R432-L435 PolarHBondContact O-N 3.09Å; R432-N436 WeakPolarHBondContact O-CB 3.46Å; R432-N436 PolarHBondContact O-N 3.03Å; R432-N436 PolarHBondContact O-ND2 3.44Å
433W98.1Very high95.5Very high28 Ų2833.7 Ų33.711%0.10618%0.178CC..Hα-helixtrans-61.8-44.3176-67.1-6.5000112.8L429 H430 H431 L435 N436 A437 I481 Y487 A488 G489 L492L429-W433 HydrophobicContact CD1-CZ2 4.03Å; L429-W433 VanDerWaalsContact CD1-NE1 3.26Å; L429-W433 HydrophobicContact CD2-CH2 4.3Å; L429-W433 HydrophobicContact CD2-CZ2 3.68Å; L429-W433 HydrophobicContact CG-CD2 4.41Å; L429-W433 HydrophobicContact CG-CZ2 3.74Å; L429-W433 PolarHBondContact O-N 3.23Å; H430-W433 AromaticContact CD2-CE3 3.46Å; H430-W433 VanDerWaalsContact CD2-CE3 3.46Å; H430-W433 AromaticContact CD2-CH2 3.94Å; H430-W433 AromaticContact CD2-CZ3 3.38Å; H430-W433 WeakPolarHBondContact CD2-CZ3 3.04Å; H430-W433 AromaticContact NE2-CH2 3.99Å; H430-W433 AromaticContact NE2-CZ3 3.6Å; H430-W433 WeakPolarHBondContact O-CB 3.49Å; H430-W433 PolarHBondContact O-N 2.92Å; H430-W433 VanDerWaalsContact O-N 3.15Å; H431-W433 VanDerWaalsContact C-N 3.31Å; H431-W433 PolarHBondContact O-N 3.32Å; W433-L435 PolarHBondContact O-N 2.97Å; W433-N436 PolarHBondContact O-N 2.98Å; W433-A437 WeakPolarHBondContact O-CB 3.32Å; W433-A437 PolarHBondContact O-N 2.87Å; W433-I481 HydrophobicContact CB-CD1 4.27Å; W433-I481 HydrophobicContact CE3-CD1 4.08Å; W433-Y487 WeakPolarHBondContact CH2-O 2.97Å; W433-A488 VanDerWaalsContact CE2-C 3.49Å; W433-A488 VanDerWaalsContact CZ2-C 3.43Å; W433-A488 VanDerWaalsContact CZ2-CA 3.46Å; W433-G489 VanDerWaalsContact CD2-CA 3.42Å; W433-L492 HydrophobicContact CB-CD1 3.64Å
434V97.4Very high94.7Very high0 Ų038.3 Ų38.30%020%0.202CC..Hα-helixtrans-60.3-46.8176.2171.70000111.2H430 H431 A437 G438 G439 F441 I481 V496 L501 L505H430-V434 PolarHBondContact O-N 3.04Å; H431-V434 PolarHBondContact O-N 3.47Å; V434-A437 PolarHBondContact O-N 2.87Å; V434-G438 PolarHBondContact O-N 3.49Å; V434-G439 PolarHBondContact O-N 2.99Å; V434-F441 HydrophobicContact CB-CE2 3.82Å; V434-F441 HydrophobicContact CB-CZ 4.16Å; V434-F441 HydrophobicContact CG1-CD2 4.48Å; V434-F441 HydrophobicContact CG1-CE2 3.61Å; V434-F441 HydrophobicContact CG1-CZ 4Å; V434-F441 HydrophobicContact CG2-CE2 4.37Å; V434-F441 HydrophobicContact CG2-CZ 4.2Å; V434-I481 HydrophobicContact CG2-CD1 4.02Å; V434-V496 HydrophobicContact CG1-CB 4.2Å; V434-V496 HydrophobicContact CG1-CG1 4.3Å; V434-V496 HydrophobicContact CG1-CG2 4.23Å; V434-V496 HydrophobicContact CG2-CG1 4.45Å; V434-L501 HydrophobicContact CG1-CD1 3.8Å; V434-L505 HydrophobicContact CG2-CD2 4.05Å
435L95.9Very high94Very high47 Ų4740 Ų4025%0.24621%0.213CC..Hα-helixtrans-61.8-45.2178.1-64.8178.3000111.5H431 R432 W433 A437 G438 F441 A451H431-L435 VanDerWaalsContact NE2-CD1 3.32Å; H431-L435 WeakPolarHBondContact NE2-CD1 3.18Å; H431-L435 WeakPolarHBondContact O-CG 3.49Å; H431-L435 PolarHBondContact O-N 2.86Å; H431-L435 VanDerWaalsContact O-N 3.12Å; R432-L435 PolarHBondContact O-N 3.09Å; W433-L435 PolarHBondContact O-N 2.97Å; L435-A437 VanDerWaalsContact C-N 3.25Å; L435-A437 PolarHBondContact O-N 3.36Å; L435-G438 PolarHBondContact O-N 3.3Å; L435-F441 HydrophobicContact CD2-CD2 4.38Å; L435-A451 HydrophobicContact CD1-CB 3.83Å
436N96.8Very high93.3Very high138 Ų13840.8 Ų40.874%0.73823%0.225SC*.Hα-helixtrans-64.7-29.5178.9-71.4-17.8000112.6R432 W433 G438R432-N436 WeakPolarHBondContact O-CB 3.46Å; R432-N436 PolarHBondContact O-N 3.03Å; R432-N436 PolarHBondContact O-ND2 3.44Å; W433-N436 PolarHBondContact O-N 2.98Å; N436-G438 PolarHBondContact O-N 3.38Å
437A97.8Very high92.6Very high8 Ų849.2 Ų49.27%0.06626%0.256CS..THydrogen-bonded Turntrans-81.31.4173.700000113.7W433 V434 L435 L492 E493 V496W433-A437 WeakPolarHBondContact O-CB 3.32Å; W433-A437 PolarHBondContact O-N 2.87Å; V434-A437 PolarHBondContact O-N 2.87Å; L435-A437 VanDerWaalsContact C-N 3.25Å; L435-A437 PolarHBondContact O-N 3.36Å; A437-L492 HydrophobicContact CB-CB 3.65Å; A437-E493 HydrophobicContact CB-CG 4.34Å; A437-V496 HydrophobicContact CB-CG2 3.58Å
438G96.9Very high92.1Very high27 Ų2755.7 Ų55.728%0.27828%0.28SS..THydrogen-bonded Turntrans87.117.7176.200000115.1V434 L435 N436 G498V434-G438 PolarHBondContact O-N 3.49Å; L435-G438 PolarHBondContact O-N 3.3Å; N436-G438 PolarHBondContact O-N 3.38Å; G438-G498 PolarHBondContact O-N 3.27Å
439G96.2Very high91.5Very high0 Ų054.6 Ų54.60%027%0.271CS..  trans-87165.1168.900000112.6V434 V496V434-G439 PolarHBondContact O-N 2.99Å; G439-V496 WeakPolarHBondContact CA-O 3.3Å
440H94.4Very high90.8Very high63 Ų6357.8 Ų57.829%0.29229%0.292SS..EExtended strand (participates in β ladder)trans-136.1150.3178-60.9-63.1000111.3R448 R499 E500 L501H440-R448 PolarHBondContact NE2-NH1 2.65Å; H440-R499 PolarHBondContact N-O 3.49Å; H440-E500 HydrophobicContact CB-CG 4.43Å; H440-E500 CarbonylContact O-C 3.47Å; H440-E500 WeakPolarHBondContact O-CA 3.14Å; H440-L501 PolarHBondContact O-N 3.11Å
441F91.9Very high89.9Confident3 Ų360.5 Ų60.51%0.01332%0.316CS..EExtended strand (participates in β ladder)trans-100.7142.2173.5-72.5-88.5000111.1H431 V434 L435 R448 V449 I477 C479 L501 Q502 L505H431-F441 AromaticContact CD2-CD2 3.51Å; H431-F441 AromaticContact CD2-CE2 3.38Å; H431-F441 WeakPolarHBondContact CD2-CE2 3.37Å; H431-F441 AromaticContact NE2-CD2 3.82Å; V434-F441 HydrophobicContact CB-CE2 3.82Å; V434-F441 HydrophobicContact CB-CZ 4.16Å; V434-F441 HydrophobicContact CG1-CD2 4.48Å; V434-F441 HydrophobicContact CG1-CE2 3.61Å; V434-F441 HydrophobicContact CG1-CZ 4Å; V434-F441 HydrophobicContact CG2-CE2 4.37Å; V434-F441 HydrophobicContact CG2-CZ 4.2Å; L435-F441 HydrophobicContact CD2-CD2 4.38Å; F441-R448 WeakPolarHBondContact O-CA 3.45Å; F441-V449 HydrophobicContact CB-CB 4.32Å; F441-V449 PolarHBondContact O-N 2.79Å; F441-I477 HydrophobicContact CB-CD1 3.82Å; F441-I477 HydrophobicContact CB-CG1 4.45Å; F441-I477 HydrophobicContact CD1-CG2 3.66Å; F441-I477 HydrophobicContact CD2-CD1 4.16Å; F441-I477 HydrophobicContact CD2-CG2 4.28Å; F441-I477 HydrophobicContact CE1-CG2 3.56Å; F441-I477 HydrophobicContact CE2-CG2 4.23Å; F441-I477 HydrophobicContact CG-CD1 3.9Å; F441-I477 HydrophobicContact CG-CG1 4.41Å; F441-I477 HydrophobicContact CG-CG2 4.01Å; F441-I477 HydrophobicContact CZ-CG2 3.86Å; F441-C479 HydrophobicContact CE1-CB 4.39Å; F441-C479 HydrophobicContact CZ-CB 3.94Å; F441-L501 CarbonylContact C-O 3.46Å; F441-L501 VanDerWaalsContact CA-O 3.29Å; F441-L501 WeakPolarHBondContact CA-O 3.5Å; F441-L501 HydrophobicContact CD1-CB 4.49Å; F441-Q502 WeakPolarHBondContact CD1-O 3.37Å; F441-L505 HydrophobicContact CE1-CB 3.89Å; F441-L505 HydrophobicContact CE1-CD2 3.73Å; F441-L505 HydrophobicContact CE1-CG 4.49Å; F441-L505 HydrophobicContact CZ-CD2 3.66Å
442I89.4Confident89Confident16 Ų1666.8 Ų66.88%0.08235%0.348CS..EExtended strand (participates in β ladder)trans-122.4150.6175.754170.8000111.4R447 R448 E500 L501 A503I442-R447 CarbonylContact C-O 3.52Å; I442-R447 VanDerWaalsContact CA-O 3.23Å; I442-R447 WeakPolarHBondContact CA-O 3.18Å; I442-R448 HydrophobicContact CG2-CG 4.22Å; I442-E500 HydrophobicContact CD1-CB 4.12Å; I442-E500 HydrophobicContact CG1-CB 4.38Å; I442-E500 HydrophobicContact CG2-CB 3.86Å; I442-E500 HydrophobicContact CG2-CG 4.24Å; I442-L501 WeakPolarHBondContact CG1-O 3.46Å; I442-L501 PolarHBondContact N-O 3.06Å; I442-A503 PolarHBondContact O-N 2.89Å
443D82.4Confident87.6Confident51 Ų5165.3 Ų65.327%0.27335%0.348SS..  trans-80179.5171.272.89.7000111.8N445 G446 R447 V449D443-N445 PolarHBondContact O-N 2.84Å; D443-N445 VanDerWaalsContact OD1-CA 3.3Å; D443-N445 WeakPolarHBondContact OD1-CA 3.43Å; D443-N445 WeakPolarHBondContact OD1-CB 3.25Å; D443-N445 PolarHBondContact OD1-N 2.94Å; D443-G446 PolarHBondContact O-N 3.44Å; D443-G446 PolarHBondContact OD1-N 2.98Å; D443-G446 VanDerWaalsContact OD1-N 3.13Å; D443-R447 PolarHBondContact N-O 3.1Å; D443-R447 WeakPolarHBondContact OD1-CB 3.41Å; D443-R447 PolarHBondContact OD1-N 3.4Å; D443-V449 HydrophobicContact CB-CG2 4.28Å
444E79.3Confident85.8Confident156 Ų15673.8 Ų73.873%0.72938%0.379SS*.THydrogen-bonded Turntrans-59.9-16.7178.862.1-174.4-173.800114.2
445N80.8Confident83.4Confident113 Ų11380.5 Ų80.560%0.60442%0.416SS*.THydrogen-bonded Turntrans-100.78.7177.3-59.7-64.2000112.6D443 R447D443-N445 PolarHBondContact O-N 2.84Å; D443-N445 VanDerWaalsContact OD1-CA 3.3Å; D443-N445 WeakPolarHBondContact OD1-CA 3.43Å; D443-N445 WeakPolarHBondContact OD1-CB 3.25Å; D443-N445 PolarHBondContact OD1-N 2.94Å; N445-R447 VanDerWaalsContact C-N 3.28Å; N445-R447 HydrophobicContact CB-CG 4.41Å; N445-R447 PolarHBondContact O-N 3.24Å
446G81.9Confident80.8Confident43 Ų4379.6 Ų79.644%0.44342%0.418SS..SBendtrans73.315.3-177.900000114.1D443D443-G446 PolarHBondContact O-N 3.44Å; D443-G446 PolarHBondContact OD1-N 2.98Å; D443-G446 VanDerWaalsContact OD1-N 3.13Å
447R84.9Confident78Confident179 Ų17976.9 Ų76.968%0.67541%0.414SS*.PPolyproline II helixtrans-89137.2178.1-59.9178.4175.2176.2-0.1110.2I442 D443 N445 V449I442-R447 CarbonylContact C-O 3.52Å; I442-R447 VanDerWaalsContact CA-O 3.23Å; I442-R447 WeakPolarHBondContact CA-O 3.18Å; D443-R447 PolarHBondContact N-O 3.1Å; D443-R447 WeakPolarHBondContact OD1-CB 3.41Å; D443-R447 PolarHBondContact OD1-N 3.4Å; N445-R447 VanDerWaalsContact C-N 3.28Å; N445-R447 HydrophobicContact CB-CG 4.41Å; N445-R447 PolarHBondContact O-N 3.24Å; R447-V449 PolarHBondContact O-N 3.04Å
448R85.8Confident75.1Confident144 Ų14480.3 Ų80.354%0.54344%0.443SS..BIsolated β-bridgetrans-61.6127.2178.5-70.4-175.4-179.9-160.8-3.4111.5H440 F441 I442 E500H440-R448 PolarHBondContact NE2-NH1 2.65Å; F441-R448 WeakPolarHBondContact O-CA 3.45Å; I442-R448 HydrophobicContact CG2-CG 4.22Å; R448-E500 IonicContact CZ-OE1 3.29Å; R448-E500 VanDerWaalsContact CZ-OE1 3.29Å; R448-E500 IonicContact NE-OE1 2.87Å; R448-E500 PolarHBondContact NE-OE1 2.65Å; R448-E500 IonicContact NH2-OE1 2.83Å; R448-E500 PolarHBondContact NH2-OE1 3.14Å
449V84.4Confident72.4Confident38 Ų3881.7 Ų81.723%0.2346%0.457CS..PPolyproline II helixtrans-79.5132.5172.9-173.30000108.2F441 D443 R447 I477F441-V449 HydrophobicContact CB-CB 4.32Å; F441-V449 PolarHBondContact O-N 2.79Å; D443-V449 HydrophobicContact CB-CG2 4.28Å; R447-V449 PolarHBondContact O-N 3.04Å; V449-I477 HydrophobicContact CB-CD1 4.2Å; V449-I477 HydrophobicContact CG1-CD1 3.8Å; V449-I477 HydrophobicContact CG1-CG1 4.31Å
450P82Confident69.8Low70 Ų7084 Ų8446%0.45547%0.473SS..PPolyproline II helixtrans-64.2154.1175.227.6-35.1000111.4I452P450-I452 WeakPolarHBondContact CG-O 3.27Å; P450-I452 PolarHBondContact O-N 3.3Å; P450-I452 VanDerWaalsContact O-N 3.12Å
451A78.4Confident67.1Low64 Ų6486 Ų8653%0.52949%0.49SS..SBendtrans-57.7-29.3-179.800000113.6H431 L435H431-A451 PolarHBondContact CE1-O 3.05Å; H431-A451 VanDerWaalsContact CE1-O 3.23Å; L435-A451 HydrophobicContact CD1-CB 3.83Å
452I77.4Confident64.7Low144 Ų14488.4 Ų88.474%0.73851%0.505SS*.SBendtrans-115.5107.4168.5-58.6174.9000106.4P450P450-I452 WeakPolarHBondContact CG-O 3.27Å; P450-I452 PolarHBondContact O-N 3.3Å; P450-I452 VanDerWaalsContact O-N 3.12Å
453P67.5Low62.6Low40 Ų4096.1 Ų96.126%0.2655%0.546SS..  trans-56.5144.1173.5-23.433.7000110.5D455P453-D455 PolarHBondContact O-N 2.91Å
454R59.6Low61Low205 Ų205101 Ų10177%0.77457%0.572SS**  trans-73.790.5177.2-68.5-177.9178.6-177.8-1.9109.3G456 K470R454-G456 PolarHBondContact O-N 2.83Å; R454-G456 VanDerWaalsContact O-N 3.07Å; R454-K470 PolarHBondContact O-NZ 3.16Å
455D47.4Very low58.8Low142 Ų14296.3 Ų96.376%0.75957%0.566SS**  trans-78.183.5171.2-78-16.5000110.2P453P453-D455 PolarHBondContact O-N 2.91Å
456G41Very low56.8Low28 Ų2896.9 Ų96.929%0.28957%0.569SS.*  trans-111.7132.7169.500000110.2R454 A458R454-G456 PolarHBondContact O-N 2.83Å; R454-G456 VanDerWaalsContact O-N 3.07Å; G456-A458 PolarHBondContact O-N 3.03Å
457A38.1Very low54.6Low80 Ų80104.7 Ų104.766%0.66159%0.585SS**  trans-53.8137.8169.300000110G459 S460A457-G459 PolarHBondContact O-N 2.98Å; A457-S460 PolarHBondContact O-N 3.12Å; A457-S460 VanDerWaalsContact O-N 3.14Å; A457-S460 PolarHBondContact O-OG 3.38Å
458A38Very low52.5Low81 Ų8198.3 Ų98.367%0.66956%0.564SS**THydrogen-bonded Turntrans-50.3126.4175.100000109.8G456G456-A458 PolarHBondContact O-N 3.03Å
459G39.4Very low50.2Low56 Ų5699.8 Ų99.858%0.57758%0.582SS**THydrogen-bonded Turntrans91.72.4-179.600000117.2A457A457-G459 PolarHBondContact O-N 2.98Å
460S41.4Very low48.4Very low48 Ų48100.6 Ų100.634%0.33658%0.583SS.*PPolyproline II helixtrans-69.8135.7167.846.20000111.3A457 N468A457-S460 PolarHBondContact O-N 3.12Å; A457-S460 VanDerWaalsContact O-N 3.14Å; A457-S460 PolarHBondContact O-OG 3.38Å; S460-N468 WeakPolarHBondContact O-CB 3.43Å; S460-N468 PolarHBondContact O-N 3.02Å; S460-N468 PolarHBondContact O-ND2 3Å; S460-N468 PolarHBondContact OG-ND2 3.38Å
461V37Very low46.3Very low106 Ų106103.6 Ų103.664%0.64260%0.595SS**BIsolated β-bridgetrans-84.8127.3176.9-171.70000107.6
462T42.2Very low44.2Very low53 Ų53105 Ų10533%0.32562%0.616SS.*PPolyproline II helixtrans-78.2158.7171.357.40000110.2D464 G465 N466T462-D464 PolarHBondContact O-N 3.13Å; T462-G465 PolarHBondContact O-N 2.76Å; T462-N466 PolarHBondContact N-O 3.19Å; T462-N466 PolarHBondContact OG1-O 2.68Å
463D46.1Very low42.4Very low177 Ų177101.7 Ų101.795%0.94760%0.602SS**THydrogen-bonded Turntrans-54-20.9177.9-78.9-23.7000113.7G465D463-G465 VanDerWaalsContact C-N 3.32Å; D463-G465 PolarHBondContact O-N 3.18Å
464D47.9Very low41.4Very low153 Ų153104.7 Ų104.782%0.81862%0.616SS**THydrogen-bonded Turntrans-86.510.2175.9-60.4-29.1000114.5T462 N466T462-D464 PolarHBondContact O-N 3.13Å; D464-N466 VanDerWaalsContact C-N 3.26Å; D464-N466 PolarHBondContact O-N 3.43Å
465G33.5Very low41.2Very low59 Ų59100.6 Ų100.661%0.60861%0.609SS**SBendtrans74.35.1172.900000116T462 D463T462-G465 PolarHBondContact O-N 2.76Å; D463-G465 VanDerWaalsContact C-N 3.32Å; D463-G465 PolarHBondContact O-N 3.18Å
466N38.2Very low42.3Very low125 Ų12596.3 Ų96.367%0.66859%0.589SS**  trans-85134.1175.1-113.8-5.8000110.9T462 D464T462-N466 PolarHBondContact N-O 3.19Å; T462-N466 PolarHBondContact OG1-O 2.68Å; D464-N466 VanDerWaalsContact C-N 3.26Å; D464-N466 PolarHBondContact O-N 3.43Å
467R36.7Very low44.3Very low206 Ų20695.6 Ų95.678%0.77758%0.578SS**BIsolated β-bridgetrans-71.6130.6171.6-74-179177.3176.4-0.8108.9L469R467-L469 VanDerWaalsContact C-N 3.31Å; R467-L469 PolarHBondContact O-N 3.48Å
468N40Very low46.8Very low45 Ų4595 Ų9524%0.24156%0.561CS.*  trans-59.392.8166.8-96.7-32.2000109.9S460 K470S460-N468 WeakPolarHBondContact O-CB 3.43Å; S460-N468 PolarHBondContact O-N 3.02Å; S460-N468 PolarHBondContact O-ND2 3Å; S460-N468 PolarHBondContact OG-ND2 3.38Å; N468-K470 VanDerWaalsContact C-N 3.32Å; N468-K470 PolarHBondContact O-N 3.39Å
469L37.6Very low49.5Very low175 Ų17591.1 Ų91.192%0.91653%0.529SS*.  trans-76.886.6162.5-73.9159.4000106.7R467R467-L469 VanDerWaalsContact C-N 3.31Å; R467-L469 PolarHBondContact O-N 3.48Å
470K47.3Very low52.2Low56 Ų5688.7 Ų88.724%0.24350%0.502CS..  trans-115.4125.8171.7-73.8-167.7175-156.20109.9R454 N468 D474R454-K470 PolarHBondContact O-NZ 3.16Å; N468-K470 VanDerWaalsContact C-N 3.32Å; N468-K470 PolarHBondContact O-N 3.39Å; K470-D474 WeakPolarHBondContact CD-OD2 3.35Å; K470-D474 WeakPolarHBondContact CE-OD2 3.27Å; K470-D474 IonicContact NZ-OD2 2.63Å; K470-D474 PolarHBondContact NZ-OD2 3.27Å
471D38.1Very low55Low132 Ų13286.5 Ų86.571%0.70649%0.487SS*.  trans-65.5148.5157.6-74.7-34.9000108.7T473D471-T473 PolarHBondContact O-N 3.04Å
472G33.6Very low57.9Low95 Ų9581.6 Ų81.698%0.97946%0.457SS*.THydrogen-bonded Turntrans-67.132179.300000115
473T38.8Very low60.6Low74 Ų7479.6 Ų79.645%0.45445%0.445SS..THydrogen-bonded Turntrans-121.62.9-170.155.10000114.7D471 L475D471-T473 PolarHBondContact O-N 3.04Å; T473-L475 PolarHBondContact O-N 3.14Å
474D48Very low63.1Low103 Ų10372.8 Ų72.855%0.55141%0.408SS*.  trans-69.379.2172.3-88.70.6000110K470K470-D474 WeakPolarHBondContact CD-OD2 3.35Å; K470-D474 WeakPolarHBondContact CE-OD2 3.27Å; K470-D474 IonicContact NZ-OD2 2.63Å; K470-D474 PolarHBondContact NZ-OD2 3.27Å
475L55.3Low65.5Low119 Ų11966.6 Ų66.662%0.62338%0.376SS*.PPolyproline II helixtrans-78.4137.3172.1-74.1161000108.5T473T473-L475 PolarHBondContact O-N 3.14Å
476P69.5Low68.6Low51 Ų5163.9 Ų63.933%0.33135%0.348SS..PPolyproline II helixtrans-56.5149.1171.324.8-33.3000110K478P476-K478 WeakPolarHBondContact O-CG 3.48Å; P476-K478 PolarHBondContact O-N 3.19Å; P476-K478 VanDerWaalsContact O-N 3.11Å
477I83.6Confident71.5Confident13 Ų1358.4 Ų58.47%0.06732%0.318CS..PPolyproline II helixtrans-48.1121.6174.4-68.9165.4000108.7H431 F441 V449 C479 A503H431-I477 HydrophobicContact CB-CG2 4.37Å; H431-I477 VanDerWaalsContact CE1-CD1 3.5Å; H431-I477 WeakPolarHBondContact CE1-CD1 3.45Å; H431-I477 WeakPolarHBondContact NE2-CD1 3.17Å; F441-I477 HydrophobicContact CB-CD1 3.82Å; F441-I477 HydrophobicContact CB-CG1 4.45Å; F441-I477 HydrophobicContact CD1-CG2 3.66Å; F441-I477 HydrophobicContact CD2-CD1 4.16Å; F441-I477 HydrophobicContact CD2-CG2 4.28Å; F441-I477 HydrophobicContact CE1-CG2 3.56Å; F441-I477 HydrophobicContact CE2-CG2 4.23Å; F441-I477 HydrophobicContact CG-CD1 3.9Å; F441-I477 HydrophobicContact CG-CG1 4.41Å; F441-I477 HydrophobicContact CG-CG2 4.01Å; F441-I477 HydrophobicContact CZ-CG2 3.86Å; V449-I477 HydrophobicContact CB-CD1 4.2Å; V449-I477 HydrophobicContact CG1-CD1 3.8Å; V449-I477 HydrophobicContact CG1-CG1 4.31Å; I477-C479 HydrophobicContact CG2-CB 4.17Å; I477-A503 CarbonylContact C-O 3.51Å
478K90Very high74.4Confident68 Ų6850.6 Ų50.630%0.29630%0.298SS..EExtended strand (participates in β ladder)trans-98.290.7177.7-65.4-177.6-176.3179.30108M427 P476 A503 T504 L505M427-K478 HydrophobicContact SD-CB 3.95Å; M427-K478 HydrophobicContact SD-CG 4.1Å; P476-K478 WeakPolarHBondContact O-CG 3.48Å; P476-K478 PolarHBondContact O-N 3.19Å; P476-K478 VanDerWaalsContact O-N 3.11Å; K478-A503 PolarHBondContact N-O 3.45Å; K478-T504 HydrophobicContact CB-CG2 4.01Å; K478-T504 HydrophobicContact CD-CG2 4.37Å; K478-T504 CarbonylContact O-C 3.58Å; K478-T504 WeakPolarHBondContact O-CA 3.36Å; K478-L505 PolarHBondContact O-N 3.16Å
479C94.6Very high77.1Confident0 Ų049.3 Ų49.30%030%0.295CS..EExtended strand (participates in β ladder)trans-111.1122.6178.1-178.40000110.1M427 H430 H431 F441 I477 L505M427-C479 WeakPolarHBondContact CA-O 3.3Å; M427-C479 WeakPolarHBondContact CB-O 3.24Å; M427-C479 WeakPolarHBondContact CG-O 3.49Å; H430-C479 HydrophobicContact CB-CB 4.29Å; H430-C479 WeakPolarHBondContact CB-O 3.41Å; H431-C479 HydrophobicContact CB-CB 4.25Å; F441-C479 HydrophobicContact CE1-CB 4.39Å; F441-C479 HydrophobicContact CZ-CB 3.94Å; I477-C479 HydrophobicContact CG2-CB 4.17Å; C479-L505 CarbonylContact C-O 3.54Å; C479-L505 WeakPolarHBondContact CA-O 3.37Å
480E97.6Very high79.9Confident5 Ų543.7 Ų43.72%0.02326%0.264CS..EExtended strand (participates in β ladder)trans-124.4128.1171.8-168.2-177171.600111.2P131 S132 L505 M506 I507P131-E480 HydrophobicContact CB-CB 4.46Å; P131-E480 WeakPolarHBondContact CB-OE2 3.35Å; P131-E480 WeakPolarHBondContact CD-OE2 3.5Å; P131-E480 HydrophobicContact CG-CB 4.21Å; S132-E480 WeakPolarHBondContact CB-OE1 3.2Å; S132-E480 VanDerWaalsContact CB-OE2 3.3Å; S132-E480 WeakPolarHBondContact CB-OE2 3.25Å; S132-E480 PolarHBondContact N-OE2 3.39Å; S132-E480 PolarHBondContact OG-OE1 3.49Å; S132-E480 PolarHBondContact OG-OE2 3.06Å; E480-L505 PolarHBondContact N-O 2.96Å; E480-M506 CarbonylContact O-C 3.58Å; E480-M506 VanDerWaalsContact O-CA 3.26Å; E480-M506 WeakPolarHBondContact O-CA 3.36Å; E480-I507 PolarHBondContact O-N 3.42Å
481I98.6Very high82.3Confident1 Ų143.2 Ų43.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-116.9122.3174.7-60.8169.6000107.3H430 W433 V434 V485 L492 I507H430-I481 HydrophobicContact CB-CB 4.44Å; H430-I481 HydrophobicContact CB-CD1 3.97Å; H430-I481 HydrophobicContact CB-CG1 4.04Å; H430-I481 PolarHBondContact CE1-N 2.85Å; H430-I481 PolarHBondContact CE1-O 3.46Å; H430-I481 PolarHBondContact ND1-N 2.97Å; W433-I481 HydrophobicContact CB-CD1 4.27Å; W433-I481 HydrophobicContact CE3-CD1 4.08Å; V434-I481 HydrophobicContact CG2-CD1 4.02Å; I481-V485 HydrophobicContact CG2-CB 4.02Å; I481-V485 HydrophobicContact CG2-CG1 4.13Å; I481-L492 HydrophobicContact CD1-CD1 3.72Å; I481-L492 HydrophobicContact CD1-CD2 4.13Å; I481-L492 HydrophobicContact CG2-CD2 4.14Å; I481-I507 CarbonylContact C-O 3.51Å; I481-I507 WeakPolarHBondContact CA-O 3.2Å; I481-I507 HydrophobicContact CG1-CB 4.35Å; I481-I507 HydrophobicContact CG1-CD1 4.45Å
482S98.8Very high85.1Confident3 Ų336.9 Ų36.92%0.02124%0.241CC..  trans-59.2134.1174-179.70000109.7K134 L484 V485 S486 I507 E509K134-S482 PolarHBondContact NZ-OG 2.9Å; K134-S482 VanDerWaalsContact NZ-OG 3.17Å; S482-L484 PolarHBondContact O-N 2.97Å; S482-L484 PolarHBondContact OG-N 3.5Å; S482-V485 WeakPolarHBondContact O-CB 3.41Å; S482-V485 PolarHBondContact O-N 3.17Å; S482-S486 PolarHBondContact O-N 2.9Å; S482-I507 PolarHBondContact N-O 3.13Å; S482-E509 PolarHBondContact OG-OE2 2.82Å
483P98.8Very high88.1Confident11 Ų1137 Ų377%0.07122%0.216CC..THydrogen-bonded Turntrans-53-28.8172.9-2732.9000113.7I139 E142 R143 K146 V485 S486I139-P483 HydrophobicContact CG2-CG 4.17Å; E142-P483 HydrophobicContact CB-CB 3.84Å; E142-P483 HydrophobicContact CB-CG 4.05Å; E142-P483 WeakPolarHBondContact OE2-CD 3.48Å; R143-P483 HydrophobicContact CG-CB 3.77Å; R143-P483 HydrophobicContact CG-CG 4.06Å; K146-P483 VanDerWaalsContact CB-O 3.26Å; K146-P483 WeakPolarHBondContact CB-O 3.44Å; K146-P483 WeakPolarHBondContact CD-O 3.12Å; K146-P483 WeakPolarHBondContact CG-O 3.26Å; P483-V485 PolarHBondContact O-N 2.87Å; P483-S486 WeakPolarHBondContact CA-O 3.32Å; P483-S486 CarbonylContact O-C 3.58Å; P483-S486 PolarHBondContact O-N 3.09Å
484L98.5Very high90.8Very high34 Ų3443.1 Ų43.118%0.17824%0.236CC..THydrogen-bonded Turntrans-64-28.1175.8-60.1-178.7000112.7E142 L145 K146 S482E142-L484 HydrophobicContact CB-CD2 4Å; E142-L484 HydrophobicContact CB-CG 4.06Å; E142-L484 HydrophobicContact CG-CD1 4.3Å; E142-L484 HydrophobicContact CG-CD2 4.22Å; E142-L484 HydrophobicContact CG-CG 4.06Å; L145-L484 HydrophobicContact CB-CD2 3.79Å; L145-L484 HydrophobicContact CD1-CD2 4.23Å; K146-L484 WeakPolarHBondContact CD-O 3.47Å; K146-L484 PolarHBondContact NZ-O 3.32Å; S482-L484 PolarHBondContact O-N 2.97Å; S482-L484 PolarHBondContact OG-N 3.5Å
485V98.5Very high93.1Very high24 Ų2440.9 Ų40.915%0.14522%0.224CC..THydrogen-bonded Turntrans-80.2-49.6175177.50000110.5K146 I481 S482 P483 L492 L495 I507 D508K146-V485 WeakPolarHBondContact CE-O 3.19Å; K146-V485 VanDerWaalsContact NZ-C 3.34Å; K146-V485 PolarHBondContact NZ-O 2.92Å; I481-V485 HydrophobicContact CG2-CB 4.02Å; I481-V485 HydrophobicContact CG2-CG1 4.13Å; S482-V485 WeakPolarHBondContact O-CB 3.41Å; S482-V485 PolarHBondContact O-N 3.17Å; P483-V485 PolarHBondContact O-N 2.87Å; V485-L492 HydrophobicContact CG1-CD2 3.93Å; V485-L495 HydrophobicContact CG1-CD1 3.73Å; V485-I507 HydrophobicContact CG1-CG2 3.91Å; V485-I507 HydrophobicContact CG2-CG2 4.22Å; V485-D508 WeakPolarHBondContact CG2-O 3.49Å
486S98.6Very high95Very high1 Ų135.2 Ų35.21%0.00720%0.195CC..  trans-148.4128-175.8-166.30000111.5S482 P483 G489 E490S482-S486 PolarHBondContact O-N 2.9Å; P483-S486 WeakPolarHBondContact CA-O 3.32Å; P483-S486 CarbonylContact O-C 3.58Å; P483-S486 PolarHBondContact O-N 3.09Å; S486-G489 WeakPolarHBondContact OG-CA 3.37Å; S486-G489 PolarHBondContact OG-N 2.87Å; S486-E490 WeakPolarHBondContact CB-O 3.28Å; S486-E490 PolarHBondContact OG-N 3.43Å; S486-E490 PolarHBondContact OG-O 2.92Å; S486-E490 PolarHBondContact OG-OE2 3.33Å
487Y98.6Very high96.4Very high11 Ų1140 Ų404%0.04321%0.21CC..SBendtrans-79.8-43.5179.4179.7-102.4000112.2R143 L147 K259 V260 D262 W433 E490R143-Y487 HydrophobicContact CB-CD2 4.25Å; R143-Y487 HydrophobicContact CB-CE2 3.99Å; R143-Y487 HydrophobicContact CG-CD2 4.25Å; R143-Y487 HydrophobicContact CG-CE2 4.19Å; L147-Y487 HydrophobicContact CD1-CD2 4.31Å; L147-Y487 HydrophobicContact CD1-CE2 3.56Å; L147-Y487 HydrophobicContact CD2-CD1 4.21Å; L147-Y487 HydrophobicContact CD2-CD2 4.14Å; L147-Y487 HydrophobicContact CD2-CE1 4.12Å; L147-Y487 HydrophobicContact CD2-CE2 4.03Å; L147-Y487 HydrophobicContact CD2-CG 4.23Å; L147-Y487 HydrophobicContact CG-CD2 3.85Å; L147-Y487 HydrophobicContact CG-CE2 3.61Å; L147-Y487 HydrophobicContact CG-CG 4.42Å; K259-Y487 WeakPolarHBondContact CA-OH 3.5Å; K259-Y487 HydrophobicContact CB-CE1 4.44Å; K259-Y487 WeakPolarHBondContact CB-OH 3.28Å; K259-Y487 PolarHBondContact O-OH 3.01Å; V260-Y487 PolarHBondContact O-OH 3.42Å; D262-Y487 VanDerWaalsContact CA-OH 3.29Å; D262-Y487 WeakPolarHBondContact CA-OH 3.38Å; D262-Y487 PolarHBondContact N-OH 3.24Å; W433-Y487 WeakPolarHBondContact CH2-O 2.97Å; Y487-E490 WeakPolarHBondContact CB-OE1 3.33Å; Y487-E490 PolarHBondContact N-OE1 3.28Å; Y487-E490 PolarHBondContact N-OE2 3.08Å
488A97.6Very high96.9Very high42 Ų4242.6 Ų42.635%0.34724%0.24SC..SBendtrans-142.722.5-173.400000112.9W433 E490W433-A488 VanDerWaalsContact CE2-C 3.49Å; W433-A488 VanDerWaalsContact CZ2-C 3.43Å; W433-A488 VanDerWaalsContact CZ2-CA 3.46Å; A488-E490 PolarHBondContact N-OE2 3.39Å
489G97.6Very high97.1Very high18 Ų1844 Ų4419%0.18624%0.243CC..SBendtrans101.9-2.5179.500000114.7W433 S486W433-G489 VanDerWaalsContact CD2-CA 3.42Å; S486-G489 WeakPolarHBondContact OG-CA 3.37Å; S486-G489 PolarHBondContact OG-N 2.87Å
490E96.9Very high97.1Very high56 Ų5648.1 Ų48.126%0.26226%0.262SS..THydrogen-bonded Turntrans-71.3151176.681-65.4163.600113.1K146 S486 Y487 A488 L492K146-E490 VanDerWaalsContact CE-OE1 3.24Å; K146-E490 WeakPolarHBondContact CE-OE1 3.2Å; S486-E490 WeakPolarHBondContact CB-O 3.28Å; S486-E490 PolarHBondContact OG-N 3.43Å; S486-E490 PolarHBondContact OG-O 2.92Å; S486-E490 PolarHBondContact OG-OE2 3.33Å; Y487-E490 WeakPolarHBondContact CB-OE1 3.33Å; Y487-E490 PolarHBondContact N-OE1 3.28Å; Y487-E490 PolarHBondContact N-OE2 3.08Å; A488-E490 PolarHBondContact N-OE2 3.39Å; E490-L492 VanDerWaalsContact C-N 3.3Å; E490-L492 PolarHBondContact O-N 3.45Å
491G95.9Very high96.8Very high46 Ų4647.9 Ų47.947%0.47426%0.261SS..THydrogen-bonded Turntrans80.13.5168.800000115.7
492L97.9Very high96.4Very high0 Ų050.4 Ų50.40%027%0.273CS..  trans-80.1-20-176.3-64.9176.3000113.6W433 A437 I481 V485 E490 K494 L495 V496W433-L492 HydrophobicContact CB-CD1 3.64Å; A437-L492 HydrophobicContact CB-CB 3.65Å; I481-L492 HydrophobicContact CD1-CD1 3.72Å; I481-L492 HydrophobicContact CD1-CD2 4.13Å; I481-L492 HydrophobicContact CG2-CD2 4.14Å; V485-L492 HydrophobicContact CG1-CD2 3.93Å; E490-L492 VanDerWaalsContact C-N 3.3Å; E490-L492 PolarHBondContact O-N 3.45Å; L492-K494 PolarHBondContact O-N 3.47Å; L492-K494 VanDerWaalsContact O-N 3.12Å; L492-L495 WeakPolarHBondContact O-CA 3.23Å; L492-L495 WeakPolarHBondContact O-CB 3.14Å; L492-L495 PolarHBondContact O-N 3.19Å; L492-V496 HydrophobicContact CB-CG2 4.38Å; L492-V496 WeakPolarHBondContact O-CG2 3.35Å; L492-V496 PolarHBondContact O-N 3.01Å
493E97.3Very high95.5Very high96 Ų9651.7 Ų51.745%0.44928%0.284SS..Hα-helixtrans-57.9-34.8-174.2-62.685.7166.700112A437 L495 K497A437-E493 HydrophobicContact CB-CG 4.34Å; E493-L495 PolarHBondContact O-N 3Å; E493-K497 HydrophobicContact CB-CB 4.37Å; E493-K497 HydrophobicContact CB-CD 4.47Å; E493-K497 WeakPolarHBondContact O-CB 3.42Å; E493-K497 PolarHBondContact O-N 2.85Å; E493-K497 VanDerWaalsContact O-N 3.14Å
494K95Very high94.9Very high204 Ų20453.1 Ų53.189%0.88729%0.293SS*.Hα-helixtrans-67.2-22.8177.5-64-179.1-177.7176.30113.1L492L492-K494 PolarHBondContact O-N 3.47Å; L492-K494 VanDerWaalsContact O-N 3.12Å
495L95.6Very high94.6Very high56 Ų5651.6 Ų51.629%0.29329%0.285SS..Hα-helixtrans-99.4-33.9-174.1-60.6177.7000112.4V485 L492 E493 R499 I507 V512V485-L495 HydrophobicContact CG1-CD1 3.73Å; L492-L495 WeakPolarHBondContact O-CA 3.23Å; L492-L495 WeakPolarHBondContact O-CB 3.14Å; L492-L495 PolarHBondContact O-N 3.19Å; E493-L495 PolarHBondContact O-N 3Å; L495-R499 WeakPolarHBondContact O-CD 3.22Å; L495-R499 PolarHBondContact O-NH1 3.46Å; L495-I507 HydrophobicContact CD1-CG2 3.72Å; L495-V512 HydrophobicContact CB-CG2 4.43Å
496V96.7Very high94.5Very high0 Ų051.8 Ų51.80%028%0.284CS..Hα-helixtrans-124.8-17-168.4-51.60000115.4V434 A437 G439 L492 G498 R499 L501 I507V434-V496 HydrophobicContact CG1-CB 4.2Å; V434-V496 HydrophobicContact CG1-CG1 4.3Å; V434-V496 HydrophobicContact CG1-CG2 4.23Å; V434-V496 HydrophobicContact CG2-CG1 4.45Å; A437-V496 HydrophobicContact CB-CG2 3.58Å; G439-V496 WeakPolarHBondContact CA-O 3.3Å; L492-V496 HydrophobicContact CB-CG2 4.38Å; L492-V496 WeakPolarHBondContact O-CG2 3.35Å; L492-V496 PolarHBondContact O-N 3.01Å; V496-G498 PolarHBondContact O-N 3.38Å; V496-R499 WeakPolarHBondContact O-CB 3.4Å; V496-R499 PolarHBondContact O-N 3.42Å; V496-L501 HydrophobicContact CB-CD1 4.05Å; V496-L501 HydrophobicContact CG1-CD1 3.88Å; V496-I507 HydrophobicContact CG1-CD1 3.76Å
497K96.9Very high94.5Very high151 Ų15151.7 Ų51.766%0.65728%0.284SS*.THydrogen-bonded Turntrans-61123.2-172.2-174.9175.7179.5174.80111.6E493 R499E493-K497 HydrophobicContact CB-CB 4.37Å; E493-K497 HydrophobicContact CB-CD 4.47Å; E493-K497 WeakPolarHBondContact O-CB 3.42Å; E493-K497 PolarHBondContact O-N 2.85Å; E493-K497 VanDerWaalsContact O-N 3.14Å; K497-R499 PolarHBondContact O-N 2.98Å
498G94.9Very high94.4Very high67 Ų6752.6 Ų52.669%0.69129%0.29SS*.THydrogen-bonded Turntrans73.96-179.500000114.6G438 V496G438-G498 PolarHBondContact O-N 3.27Å; V496-G498 PolarHBondContact O-N 3.38Å
499R95.2Very high94.3Very high97 Ų9755.4 Ų55.437%0.36630%0.296SS..  trans-93.7150.1176.9-65.1-179.164.4-169-3.3111.6H440 L495 V496 K497 L501 E514H440-R499 PolarHBondContact N-O 3.49Å; L495-R499 WeakPolarHBondContact O-CD 3.22Å; L495-R499 PolarHBondContact O-NH1 3.46Å; V496-R499 WeakPolarHBondContact O-CB 3.4Å; V496-R499 PolarHBondContact O-N 3.42Å; K497-R499 PolarHBondContact O-N 2.98Å; R499-L501 HydrophobicContact CB-CD2 4.35Å; R499-L501 HydrophobicContact CB-CG 4.41Å; R499-E514 IonicContact NH2-OE1 3.9Å; R499-E514 PolarHBondContact NH2-OE1 3.12Å
500E93.4Very high94.1Very high87 Ų8761.8 Ų61.841%0.40732%0.32SS..EExtended strand (participates in β ladder)trans-105.8125.2168.4-64.3-174.7158.400107.6H440 I442 R448H440-E500 HydrophobicContact CB-CG 4.43Å; H440-E500 CarbonylContact O-C 3.47Å; H440-E500 WeakPolarHBondContact O-CA 3.14Å; I442-E500 HydrophobicContact CD1-CB 4.12Å; I442-E500 HydrophobicContact CG1-CB 4.38Å; I442-E500 HydrophobicContact CG2-CB 3.86Å; I442-E500 HydrophobicContact CG2-CG 4.24Å; R448-E500 IonicContact CZ-OE1 3.29Å; R448-E500 VanDerWaalsContact CZ-OE1 3.29Å; R448-E500 IonicContact NE-OE1 2.87Å; R448-E500 PolarHBondContact NE-OE1 2.65Å; R448-E500 IonicContact NH2-OE1 2.83Å; R448-E500 PolarHBondContact NH2-OE1 3.14Å
501L92.3Very high94Very high0 Ų060.3 Ų60.30%032%0.32CS..EExtended strand (participates in β ladder)trans-122.6144.8-168-60.5163.2000109.7V434 H440 F441 I442 V496 R499 L505 V512V434-L501 HydrophobicContact CG1-CD1 3.8Å; H440-L501 PolarHBondContact O-N 3.11Å; F441-L501 CarbonylContact C-O 3.46Å; F441-L501 VanDerWaalsContact CA-O 3.29Å; F441-L501 WeakPolarHBondContact CA-O 3.5Å; F441-L501 HydrophobicContact CD1-CB 4.49Å; I442-L501 WeakPolarHBondContact CG1-O 3.46Å; I442-L501 PolarHBondContact N-O 3.06Å; V496-L501 HydrophobicContact CB-CD1 4.05Å; V496-L501 HydrophobicContact CG1-CD1 3.88Å; R499-L501 HydrophobicContact CB-CD2 4.35Å; R499-L501 HydrophobicContact CB-CG 4.41Å; L501-L505 HydrophobicContact CB-CD1 4.47Å; L501-L505 HydrophobicContact CB-CD2 4.32Å; L501-L505 HydrophobicContact CD1-CD2 3.74Å; L501-L505 HydrophobicContact CD2-CD1 4.25Å; L501-V512 HydrophobicContact CD2-CG1 4.28Å
502Q89.1Confident93.9Very high54 Ų5460 Ų6025%0.25231%0.309SS..EExtended strand (participates in β ladder)trans-63.9153175.3-65.4-58.3-38.100112.9F441 T504 E514F441-Q502 WeakPolarHBondContact CD1-O 3.37Å; Q502-T504 PolarHBondContact O-N 3.31Å; Q502-T504 VanDerWaalsContact O-N 3.12Å; Q502-E514 HydrophobicContact CB-CB 4.19Å; Q502-E514 HydrophobicContact CG-CB 4.24Å; Q502-E514 WeakPolarHBondContact CG-OE2 3.41Å; Q502-E514 PolarHBondContact N-OE2 2.84Å; Q502-E514 VanDerWaalsContact N-OE2 3.07Å
503A79.9Confident93.7Very high31 Ų3162.4 Ų62.426%0.25632%0.32SS..SBendtrans-60.6-21.5-177.800000114.7I442 I477 K478I442-A503 PolarHBondContact O-N 2.89Å; I477-A503 CarbonylContact C-O 3.51Å; K478-A503 PolarHBondContact N-O 3.45Å
504T87Confident93.2Very high41 Ų4160.4 Ų60.425%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-108.4105.1169.5-52.50000109.2K478 Q502 L515K478-T504 HydrophobicContact CB-CG2 4.01Å; K478-T504 HydrophobicContact CD-CG2 4.37Å; K478-T504 CarbonylContact O-C 3.58Å; K478-T504 WeakPolarHBondContact O-CA 3.36Å; Q502-T504 PolarHBondContact O-N 3.31Å; Q502-T504 VanDerWaalsContact O-N 3.12Å; T504-L515 HydrophobicContact CG2-CB 3.7Å; T504-L515 HydrophobicContact CG2-CD1 3.81Å; T504-L515 HydrophobicContact CG2-CG 4.22Å; T504-L515 PolarHBondContact O-N 2.83Å
505L92.9Very high92.1Very high1 Ų153.3 Ų53.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-127.4128.9-171.3175.269.3000109.8V434 F441 K478 C479 E480 L501 I507 V512 E514V434-L505 HydrophobicContact CG2-CD2 4.05Å; F441-L505 HydrophobicContact CE1-CB 3.89Å; F441-L505 HydrophobicContact CE1-CD2 3.73Å; F441-L505 HydrophobicContact CE1-CG 4.49Å; F441-L505 HydrophobicContact CZ-CD2 3.66Å; K478-L505 PolarHBondContact O-N 3.16Å; C479-L505 CarbonylContact C-O 3.54Å; C479-L505 WeakPolarHBondContact CA-O 3.37Å; E480-L505 PolarHBondContact N-O 2.96Å; L501-L505 HydrophobicContact CB-CD1 4.47Å; L501-L505 HydrophobicContact CB-CD2 4.32Å; L501-L505 HydrophobicContact CD1-CD2 3.74Å; L501-L505 HydrophobicContact CD2-CD1 4.25Å; L505-I507 HydrophobicContact CD1-CG1 4.11Å; L505-I507 HydrophobicContact CD2-CD1 4.2Å; L505-I507 HydrophobicContact CD2-CG1 4.35Å; L505-I507 HydrophobicContact CG-CD1 4.49Å; L505-I507 HydrophobicContact CG-CG1 4.11Å; L505-V512 HydrophobicContact CD1-CG1 3.62Å; L505-E514 HydrophobicContact CD1-CG 4.12Å
506M95.9Very high90.7Very high28 Ų2854.7 Ų54.714%0.13829%0.292CS..EExtended strand (participates in β ladder)trans-120.9135.3166.5-171.5-172.7-64.100109.3P131 E480 H513P131-M506 HydrophobicContact CB-CE 3.49Å; P131-M506 VanDerWaalsContact CB-CE 3.49Å; P131-M506 WeakPolarHBondContact O-CE 3.47Å; E480-M506 CarbonylContact O-C 3.58Å; E480-M506 VanDerWaalsContact O-CA 3.26Å; E480-M506 WeakPolarHBondContact O-CA 3.36Å; M506-H513 HydrophobicContact CB-CB 4.31Å; M506-H513 PolarHBondContact N-O 2.65Å; M506-H513 PolarHBondContact O-N 3.18Å
507I97.4Very high88.6Confident0 Ų062.9 Ų62.90%033%0.328CS..EExtended strand (participates in β ladder)trans-125.2119.2172.6-51.2-176.9000108.4E480 I481 S482 V485 L495 V496 L505 G511 V512E480-I507 PolarHBondContact O-N 3.42Å; I481-I507 CarbonylContact C-O 3.51Å; I481-I507 WeakPolarHBondContact CA-O 3.2Å; I481-I507 HydrophobicContact CG1-CB 4.35Å; I481-I507 HydrophobicContact CG1-CD1 4.45Å; S482-I507 PolarHBondContact N-O 3.13Å; V485-I507 HydrophobicContact CG1-CG2 3.91Å; V485-I507 HydrophobicContact CG2-CG2 4.22Å; L495-I507 HydrophobicContact CD1-CG2 3.72Å; V496-I507 HydrophobicContact CG1-CD1 3.76Å; L505-I507 HydrophobicContact CD1-CG1 4.11Å; L505-I507 HydrophobicContact CD2-CD1 4.2Å; L505-I507 HydrophobicContact CD2-CG1 4.35Å; L505-I507 HydrophobicContact CG-CD1 4.49Å; L505-I507 HydrophobicContact CG-CG1 4.11Å; I507-G511 WeakPolarHBondContact CA-O 3.36Å; I507-V512 HydrophobicContact CD1-CG2 4.38Å; I507-V512 HydrophobicContact CG1-CG1 4.47Å; I507-V512 HydrophobicContact CG1-CG2 4.27Å; I507-V512 HydrophobicContact CG2-CG2 4.26Å
508D97.3Very high86Confident30 Ų3063.4 Ų63.416%0.1634%0.338CS..EExtended strand (participates in β ladder)trans-135-173179.669.217.1000111.7V485 H510 G511 H513V485-D508 WeakPolarHBondContact CG2-O 3.49Å; D508-H510 PolarHBondContact O-N 3.13Å; D508-H510 VanDerWaalsContact O-N 3.15Å; D508-H510 VanDerWaalsContact OD1-CA 3.31Å; D508-H510 WeakPolarHBondContact OD1-CA 3.24Å; D508-H510 VanDerWaalsContact OD1-CB 3.28Å; D508-H510 WeakPolarHBondContact OD1-CB 3.5Å; D508-H510 IonicContact OD1-CG 2.87Å; D508-H510 PolarHBondContact OD1-N 2.79Å; D508-G511 PolarHBondContact N-O 3.29Å; D508-G511 PolarHBondContact O-N 3.38Å; D508-G511 VanDerWaalsContact O-N 3.07Å; D508-G511 PolarHBondContact OD1-N 3.49Å; D508-H513 IonicContact OD1-CD2 2.86Å; D508-H513 IonicContact OD1-CE1 2.7Å; D508-H513 IonicContact OD1-NE2 2.68Å; D508-H513 PolarHBondContact OD1-NE2 3.31Å; D508-H513 IonicContact OD2-CD2 3.94Å; D508-H513 IonicContact OD2-NE2 2.72Å; D508-H513 PolarHBondContact OD2-NE2 2.93Å
509E94.4Very high83.5Confident101 Ų10162 Ų6247%0.47232%0.324SS..THydrogen-bonded Turntrans-60.8-16.2177.859.5-91.6-149.100114.4S482S482-E509 PolarHBondContact OG-OE2 2.82Å
510H94.9Very high80.9Confident152 Ų15264.7 Ų64.770%0.70435%0.35SS*.THydrogen-bonded Turntrans-94.6-8.7176.8-56.2-54.7000112.9D508D508-H510 PolarHBondContact O-N 3.13Å; D508-H510 VanDerWaalsContact O-N 3.15Å; D508-H510 VanDerWaalsContact OD1-CA 3.31Å; D508-H510 WeakPolarHBondContact OD1-CA 3.24Å; D508-H510 VanDerWaalsContact OD1-CB 3.28Å; D508-H510 WeakPolarHBondContact OD1-CB 3.5Å; D508-H510 IonicContact OD1-CG 2.87Å; D508-H510 PolarHBondContact OD1-N 2.79Å
511G93.9Very high80.3Confident25 Ų2563.6 Ų63.626%0.25835%0.348SS..EExtended strand (participates in β ladder)trans128.6-147.7171.500000113.7I507 D508I507-G511 WeakPolarHBondContact CA-O 3.36Å; D508-G511 PolarHBondContact N-O 3.29Å; D508-G511 PolarHBondContact O-N 3.38Å; D508-G511 VanDerWaalsContact O-N 3.07Å; D508-G511 PolarHBondContact OD1-N 3.49Å
512V95Very high79.6Confident39 Ų3966.9 Ų66.924%0.23637%0.366CS..EExtended strand (participates in β ladder)trans-105.2123.1-178.9179.30000108.7L495 L501 L505 I507 E514L495-V512 HydrophobicContact CB-CG2 4.43Å; L501-V512 HydrophobicContact CD2-CG1 4.28Å; L505-V512 HydrophobicContact CD1-CG1 3.62Å; I507-V512 HydrophobicContact CD1-CG2 4.38Å; I507-V512 HydrophobicContact CG1-CG1 4.47Å; I507-V512 HydrophobicContact CG1-CG2 4.27Å; I507-V512 HydrophobicContact CG2-CG2 4.26Å; V512-E514 HydrophobicContact CG1-CG 4.35Å
513H93.1Very high79.1Confident51 Ų5167.6 Ų67.624%0.23637%0.372CS..EExtended strand (participates in β ladder)trans-118.5119.4-179-45.1-81.2000109.6M506 D508M506-H513 HydrophobicContact CB-CB 4.31Å; M506-H513 PolarHBondContact N-O 2.65Å; M506-H513 PolarHBondContact O-N 3.18Å; D508-H513 IonicContact OD1-CD2 2.86Å; D508-H513 IonicContact OD1-CE1 2.7Å; D508-H513 IonicContact OD1-NE2 2.68Å; D508-H513 PolarHBondContact OD1-NE2 3.31Å; D508-H513 IonicContact OD2-CD2 3.94Å; D508-H513 IonicContact OD2-NE2 2.72Å; D508-H513 PolarHBondContact OD2-NE2 2.93Å
514E87Confident79.1Confident54 Ų5469.8 Ų69.825%0.25238%0.379SS..EExtended strand (participates in β ladder)trans-108.6101.3-179.4-65.4-176.3-136.900108.2R499 Q502 L505 V512 V516R499-E514 IonicContact NH2-OE1 3.9Å; R499-E514 PolarHBondContact NH2-OE1 3.12Å; Q502-E514 HydrophobicContact CB-CB 4.19Å; Q502-E514 HydrophobicContact CG-CB 4.24Å; Q502-E514 WeakPolarHBondContact CG-OE2 3.41Å; Q502-E514 PolarHBondContact N-OE2 2.84Å; Q502-E514 VanDerWaalsContact N-OE2 3.07Å; L505-E514 HydrophobicContact CD1-CG 4.12Å; V512-E514 HydrophobicContact CG1-CG 4.35Å; E514-V516 PolarHBondContact O-N 2.96Å
515L71.9Confident78.6Confident54 Ų5471.6 Ų71.628%0.28339%0.387SS..  trans-79.3123-174.7-63.8172.9000110.1T504 V520T504-L515 HydrophobicContact CG2-CB 3.7Å; T504-L515 HydrophobicContact CG2-CD1 3.81Å; T504-L515 HydrophobicContact CG2-CG 4.22Å; T504-L515 PolarHBondContact O-N 2.83Å; L515-V520 HydrophobicContact CD2-CB 4.23Å; L515-V520 HydrophobicContact CD2-CG1 4.46Å; L515-V520 HydrophobicContact CD2-CG2 3.65Å
516V64.8Low77.6Confident85 Ų8576.3 Ų76.352%0.51541%0.412SS..BIsolated β-bridgetrans-97.9158171.8-86.10000110.9E514 N518 G519E514-V516 PolarHBondContact O-N 2.96Å; V516-N518 PolarHBondContact O-N 3.01Å; V516-G519 VanDerWaalsContact CG2-O 3.23Å; V516-G519 WeakPolarHBondContact CG2-O 3.33Å; V516-G519 PolarHBondContact N-O 3.11Å; V516-G519 VanDerWaalsContact N-O 3.1Å; V516-G519 PolarHBondContact O-N 3.12Å; V516-G519 VanDerWaalsContact O-O 3.04Å
517K52.5Low76.3Confident172 Ų17279.7 Ų79.775%0.74843%0.432SS*.THydrogen-bonded Turntrans-51.1-15.6179.8-107.2176.3-179.6167.70114.5
518N42.2Very low74.7Confident163 Ų16385.8 Ų85.887%0.87247%0.465SS*.THydrogen-bonded Turntrans-11112.7-178.9-66.3-17.7000114.8V516V516-N518 PolarHBondContact O-N 3.01Å
519G43.1Very low72.8Confident38 Ų3890.5 Ų90.539%0.39249%0.491SS..BIsolated β-bridgetrans126.2-177.1179.700000113.3V516V516-G519 VanDerWaalsContact CG2-O 3.23Å; V516-G519 WeakPolarHBondContact CG2-O 3.33Å; V516-G519 PolarHBondContact N-O 3.11Å; V516-G519 VanDerWaalsContact N-O 3.1Å; V516-G519 PolarHBondContact O-N 3.12Å; V516-G519 VanDerWaalsContact O-O 3.04Å
520V40.7Very low70.8Confident152 Ų15289.5 Ų89.592%0.92149%0.492SS*.  trans-63.20172.3-173.50000110.3L515L515-V520 HydrophobicContact CD2-CB 4.23Å; L515-V520 HydrophobicContact CD2-CG1 4.46Å; L515-V520 HydrophobicContact CD2-CG2 3.65Å

Retrieved 520 of 520 residues in 614.2 ms (Link to these results)

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