A0A087XYW3_POEFO Loading...

Methyltransferase like 27

AlphaFold DB , UniProt , Accession A0A087XYW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M35.1Very low63.7Low244 Ų24492.8 Ų92.8100%1.20255%0.545SS*.  0117.60-63.3-169178.600105.7A3M1-A3 PolarHBondContact O-N 3.44Å
2S38.6Very low65.4Low102 Ų10287.8 Ų87.871%0.71351%0.512SS*.  trans-63.4123.4-172.747.70000109.4D4S2-D4 VanDerWaalsContact C-N 3.26Å; S2-D4 PolarHBondContact O-N 3.19Å
3A42.9Very low66.6Low100 Ų10085.8 Ų85.883%0.82651%0.512SS*.  trans-66.298.6156.100000105.2M1 S5M1-A3 PolarHBondContact O-N 3.44Å; A3-S5 PolarHBondContact O-N 2.91Å
4D45.8Very low67.5Low133 Ų13382.2 Ų82.271%0.71150%0.496SS*.  trans-57.9109166.6-75-17.4000105.7S2 N6S2-D4 VanDerWaalsContact C-N 3.26Å; S2-D4 PolarHBondContact O-N 3.19Å; D4-N6 PolarHBondContact O-N 3.12Å
5S54.7Low68.4Low92 Ų9277 Ų7764%0.64347%0.465SS*.  trans-54.9125.9173.756.70000107.4A3 T7A3-S5 PolarHBondContact O-N 2.91Å; S5-T7 VanDerWaalsContact C-N 3.25Å; S5-T7 WeakPolarHBondContact O-CG2 2.79Å; S5-T7 PolarHBondContact O-N 2.96Å
6N65.4Low69Low61 Ų6174.9 Ų74.933%0.32645%0.45SS..  trans-57.992.2175.1-70.1-0.6000108.6D4 V11 D41 V44D4-N6 PolarHBondContact O-N 3.12Å; N6-V11 HydrophobicContact CB-CG2 3.98Å; N6-D41 PolarHBondContact ND2-OD1 2.75Å; N6-V44 HydrophobicContact CB-CG2 4.38Å; N6-V44 WeakPolarHBondContact O-CG2 3.29Å
7T83.9Confident69.1Low72 Ų7274.4 Ų74.444%0.44245%0.45SS..  trans-72.2152.2177.362.50000108.4S5 E9 S10 V11S5-T7 VanDerWaalsContact C-N 3.25Å; S5-T7 WeakPolarHBondContact O-CG2 2.79Å; S5-T7 PolarHBondContact O-N 2.96Å; T7-E9 PolarHBondContact O-N 2.75Å; T7-S10 PolarHBondContact N-OG 3.39Å; T7-S10 PolarHBondContact O-N 3.37Å; T7-S10 PolarHBondContact O-OG 3.26Å; T7-S10 PolarHBondContact OG1-N 3.2Å; T7-S10 PolarHBondContact OG1-OG 3.43Å; T7-V11 PolarHBondContact O-N 3.15Å
8F82.9Confident69Low38 Ų3870.7 Ų70.717%0.16743%0.429CS..Hα-helixtrans-52-40.9176.2176.9-108.1000112.8S10 V11 K12 V44 L45 R206 A207F8-S10 PolarHBondContact O-N 3.27Å; F8-V11 PolarHBondContact O-N 3.45Å; F8-K12 HydrophobicContact CE1-CD 4.16Å; F8-K12 WeakPolarHBondContact O-CB 2.99Å; F8-K12 PolarHBondContact O-N 3.32Å; F8-V44 HydrophobicContact CB-CG1 4.2Å; F8-V44 HydrophobicContact CD2-CG1 4.41Å; F8-L45 HydrophobicContact CD2-CD2 4.08Å; F8-L45 HydrophobicContact CE2-CD2 3.75Å; F8-R206 HydrophobicContact CD2-CB 4.46Å; F8-R206 VanDerWaalsContact CD2-NH2 3.34Å; F8-R206 HydrophobicContact CE2-CB 3.54Å; F8-R206 HydrophobicContact CE2-CG 4.44Å; F8-R206 HydrophobicContact CZ-CB 4.08Å; F8-A207 WeakPolarHBondContact CZ-O 3.46Å
9E83.7Confident68.9Low121 Ų12171.7 Ų71.757%0.56543%0.429SS*.Hα-helixtrans-64.4-40178-66.1-53.2136.100112.8T7 K12 A13T7-E9 PolarHBondContact O-N 2.75Å; E9-K12 PolarHBondContact O-N 3.26Å; E9-A13 WeakPolarHBondContact O-CB 3.14Å; E9-A13 PolarHBondContact O-N 3Å
10S82.8Confident68.8Low56 Ų5676.8 Ų76.839%0.39245%0.445SS..Hα-helixtrans-65.6-40.7175.965.10000112.4T7 F8 A13 A14T7-S10 PolarHBondContact N-OG 3.39Å; T7-S10 PolarHBondContact O-N 3.37Å; T7-S10 PolarHBondContact O-OG 3.26Å; T7-S10 PolarHBondContact OG1-N 3.2Å; T7-S10 PolarHBondContact OG1-OG 3.43Å; F8-S10 PolarHBondContact O-N 3.27Å; S10-A13 PolarHBondContact O-N 3.23Å; S10-A14 PolarHBondContact O-N 3.15Å; S10-A14 VanDerWaalsContact O-N 3.07Å
11V85.1Confident68.8Low2 Ų274.1 Ų74.11%0.01243%0.431CS..Hα-helixtrans-68.2-44176.8176.40000110.6N6 T7 F8 A13 A14 V15 D41 V44 L45N6-V11 HydrophobicContact CB-CG2 3.98Å; T7-V11 PolarHBondContact O-N 3.15Å; F8-V11 PolarHBondContact O-N 3.45Å; V11-A13 VanDerWaalsContact C-N 3.34Å; V11-A13 PolarHBondContact O-N 3.15Å; V11-A14 PolarHBondContact O-N 3.46Å; V11-V15 HydrophobicContact CG1-CG2 4.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.39Å; V11-V15 PolarHBondContact O-N 2.85Å; V11-D41 HydrophobicContact CG1-CB 3.78Å; V11-D41 HydrophobicContact CG2-CB 4.15Å; V11-D41 WeakPolarHBondContact CG2-OD1 3.48Å; V11-V44 HydrophobicContact CB-CG1 4.37Å; V11-V44 HydrophobicContact CG2-CB 4.14Å; V11-V44 HydrophobicContact CG2-CG1 4Å; V11-V44 HydrophobicContact CG2-CG2 4.47Å; V11-L45 HydrophobicContact CG1-CD1 4.08Å; V11-L45 HydrophobicContact CG1-CD2 3.85Å; V11-L45 HydrophobicContact CG1-CG 3.78Å
12K84Confident70.5Confident33 Ų3368.3 Ų68.314%0.14341%0.409CS..Hα-helixtrans-55.7-48.5175.4179.5175.6-178176.30110.9F8 E9 A14 V15 L16 V208F8-K12 HydrophobicContact CE1-CD 4.16Å; F8-K12 WeakPolarHBondContact O-CB 2.99Å; F8-K12 PolarHBondContact O-N 3.32Å; E9-K12 PolarHBondContact O-N 3.26Å; K12-A14 PolarHBondContact O-N 3.33Å; K12-V15 PolarHBondContact O-N 2.84Å; K12-L16 HydrophobicContact CG-CD1 4.02Å; K12-L16 HydrophobicContact CG-CG 4.5Å; K12-L16 WeakPolarHBondContact O-CB 3.36Å; K12-L16 WeakPolarHBondContact O-CG 3.4Å; K12-L16 PolarHBondContact O-N 3.35Å; K12-V208 WeakPolarHBondContact CE-O 3.47Å; K12-V208 HydrophobicContact CG-CB 4.14Å; K12-V208 HydrophobicContact CG-CG1 4.42Å
13A81.3Confident72.6Confident62 Ų6266.2 Ų66.251%0.51239%0.392SS..Hα-helixtrans-61.7-42.1177.500000112.6E9 S10 V11 S17E9-A13 WeakPolarHBondContact O-CB 3.14Å; E9-A13 PolarHBondContact O-N 3Å; S10-A13 PolarHBondContact O-N 3.23Å; V11-A13 VanDerWaalsContact C-N 3.34Å; V11-A13 PolarHBondContact O-N 3.15Å; A13-S17 PolarHBondContact O-N 3.35Å; A13-S17 VanDerWaalsContact O-N 3.12Å
14A79.6Confident74.4Confident35 Ų3563.3 Ų63.329%0.28937%0.365SS..Hα-helixtrans-62.8-47.4177.200000112S10 V11 K12 S17 A18S10-A14 PolarHBondContact O-N 3.15Å; S10-A14 VanDerWaalsContact O-N 3.07Å; V11-A14 PolarHBondContact O-N 3.46Å; K12-A14 PolarHBondContact O-N 3.33Å; A14-S17 WeakPolarHBondContact O-CB 3.48Å; A14-S17 PolarHBondContact O-N 2.84Å; A14-S17 PolarHBondContact O-OG 3.35Å; A14-A18 PolarHBondContact O-N 3Å
15V80.1Confident76.2Confident4 Ų462.2 Ų62.22%0.02436%0.356CS..Hα-helixtrans-67.7-40.7179.5175.50000111.8V11 K12 S17 A18 H19 W34 L45 V208V11-V15 HydrophobicContact CG1-CG2 4.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.39Å; V11-V15 PolarHBondContact O-N 2.85Å; K12-V15 PolarHBondContact O-N 2.84Å; V15-S17 VanDerWaalsContact C-N 3.25Å; V15-S17 PolarHBondContact O-N 3.35Å; V15-A18 WeakPolarHBondContact O-CA 3.29Å; V15-A18 WeakPolarHBondContact O-CB 3.42Å; V15-A18 PolarHBondContact O-N 2.93Å; V15-H19 PolarHBondContact O-CD2 3.03Å; V15-H19 PolarHBondContact O-N 2.76Å; V15-W34 HydrophobicContact CG2-CH2 3.85Å; V15-W34 HydrophobicContact CG2-CZ2 3.71Å; V15-L45 HydrophobicContact CG2-CD1 4.16Å; V15-V208 HydrophobicContact CB-CG1 4.5Å; V15-V208 HydrophobicContact CG1-CG1 4.43Å; V15-V208 HydrophobicContact CG1-CG2 3.99Å
16L77.8Confident77.6Confident44 Ų4461.9 Ų61.923%0.2334%0.344CS..Hα-helixtrans-62-33.6175.5-78.3175000112.7K12 A18 H19 V208K12-L16 HydrophobicContact CG-CD1 4.02Å; K12-L16 HydrophobicContact CG-CG 4.5Å; K12-L16 WeakPolarHBondContact O-CB 3.36Å; K12-L16 WeakPolarHBondContact O-CG 3.4Å; K12-L16 PolarHBondContact O-N 3.35Å; L16-A18 PolarHBondContact O-N 2.89Å; L16-H19 PolarHBondContact O-N 3.34Å; L16-V208 WeakPolarHBondContact CD1-O 3.13Å; L16-V208 WeakPolarHBondContact CD2-O 3.3Å; L16-V208 WeakPolarHBondContact CG-O 3.29Å
17S71.4Confident78.6Confident65 Ų6560.4 Ų60.446%0.45534%0.335SS..Hα-helixtrans-62.8-29.3174.783.10000112.3A13 A14 V15A13-S17 PolarHBondContact O-N 3.35Å; A13-S17 VanDerWaalsContact O-N 3.12Å; A14-S17 WeakPolarHBondContact O-CB 3.48Å; A14-S17 PolarHBondContact O-N 2.84Å; A14-S17 PolarHBondContact O-OG 3.35Å; V15-S17 VanDerWaalsContact C-N 3.25Å; V15-S17 PolarHBondContact O-N 3.35Å
18A66.9Low78.9Confident8 Ų858.5 Ų58.57%0.06632%0.322CS..Hα-helixtrans-69.1-40.1176.500000113.4A14 V15 L16 K20 S21 F30A14-A18 PolarHBondContact O-N 3Å; V15-A18 WeakPolarHBondContact O-CA 3.29Å; V15-A18 WeakPolarHBondContact O-CB 3.42Å; V15-A18 PolarHBondContact O-N 2.93Å; L16-A18 PolarHBondContact O-N 2.89Å; A18-K20 PolarHBondContact O-N 2.82Å; A18-K20 VanDerWaalsContact O-N 3.11Å; A18-S21 VanDerWaalsContact O-CB 3.31Å; A18-S21 WeakPolarHBondContact O-CB 3.45Å; A18-S21 PolarHBondContact O-N 2.91Å; A18-S21 PolarHBondContact O-OG 2.92Å; A18-F30 HydrophobicContact CB-CD1 3.47Å; A18-F30 VanDerWaalsContact CB-CD1 3.47Å; A18-F30 HydrophobicContact CB-CD2 3.48Å; A18-F30 VanDerWaalsContact CB-CD2 3.48Å; A18-F30 HydrophobicContact CB-CE1 3.24Å; A18-F30 HydrophobicContact CB-CE2 3.29Å; A18-F30 HydrophobicContact CB-CG 3.59Å; A18-F30 HydrophobicContact CB-CZ 3.17Å
19H66.4Low79.1Confident91 Ų9159.4 Ų59.442%0.42133%0.333SS..Hα-helixtrans-67-13.8-176-71.4-162.9000112.2V15 L16 S21 E172V15-H19 PolarHBondContact O-CD2 3.03Å; V15-H19 PolarHBondContact O-N 2.76Å; L16-H19 PolarHBondContact O-N 3.34Å; H19-S21 VanDerWaalsContact C-N 3.31Å; H19-E172 IonicContact ND1-OE2 3.81Å
20K68.1Low79.4Confident173 Ų17354.5 Ų54.575%0.75231%0.31SS*.THydrogen-bonded Turntrans-78.7-11.1173.3-61.7-178.8-178.4179.20113.5A18A18-K20 PolarHBondContact O-N 2.82Å; A18-K20 VanDerWaalsContact O-N 3.11Å
21S68.6Low79.7Confident21 Ų2154.7 Ų54.715%0.14730%0.302CS..  trans-74.1128.8176.8-66.30000111.1A18 H19 K27A18-S21 VanDerWaalsContact O-CB 3.31Å; A18-S21 WeakPolarHBondContact O-CB 3.45Å; A18-S21 PolarHBondContact O-N 2.91Å; A18-S21 PolarHBondContact O-OG 2.92Å; H19-S21 VanDerWaalsContact C-N 3.31Å; S21-K27 WeakPolarHBondContact O-CE 3.45Å
22T71.4Confident80Confident122 Ų12257.3 Ų57.375%0.74832%0.316SS*.  trans-107.4-20.5-171.159.40000113.5E26T22-E26 PolarHBondContact N-OE2 3.21Å; T22-E26 PolarHBondContact OG1-OE2 2.77Å; T22-E26 VanDerWaalsContact OG1-OE2 3.13Å
23T82.4Confident80.3Confident58 Ų5863.9 Ų63.936%0.35634%0.34SS..SBendtrans-110.3157.9178.964.90000112.3E25 E26 K27T23-E25 PolarHBondContact O-N 3.23Å; T23-E26 PolarHBondContact N-OE2 2.81Å; T23-E26 PolarHBondContact O-N 2.81Å; T23-E26 WeakPolarHBondContact OG1-CB 3.25Å; T23-E26 WeakPolarHBondContact OG1-CG 3.48Å; T23-E26 PolarHBondContact OG1-N 2.94Å; T23-E26 PolarHBondContact OG1-OE2 3.38Å; T23-K27 WeakPolarHBondContact O-CG 3.39Å; T23-K27 PolarHBondContact O-N 3.16Å; T23-K27 VanDerWaalsContact O-N 3.09Å
24S81.2Confident80.7Confident38 Ų3862.1 Ų62.127%0.26632%0.32SS..Hα-helixtrans-58.8-38.7175-52.70000111.6K27 I28 K121S24-K27 PolarHBondContact O-N 2.84Å; S24-I28 WeakPolarHBondContact O-CG1 3.37Å; S24-I28 PolarHBondContact O-N 3.19Å; S24-K121 WeakPolarHBondContact OG-CE 3.44Å
25E82.7Confident81.3Confident110 Ų11060.7 Ų60.751%0.51431%0.308SS..Hα-helixtrans-64.6-44.7178.9-70.468.5-155.600112.1T23 K27 I28 S29 K121T23-E25 PolarHBondContact O-N 3.23Å; E25-K27 VanDerWaalsContact C-N 3.31Å; E25-K27 PolarHBondContact O-N 2.86Å; E25-I28 PolarHBondContact O-N 2.97Å; E25-S29 WeakPolarHBondContact O-CB 3.43Å; E25-S29 PolarHBondContact O-N 2.93Å; E25-K121 VanDerWaalsContact CD-NZ 3.35Å; E25-K121 IonicContact OE1-NZ 3.26Å; E25-K121 PolarHBondContact OE1-NZ 3.31Å; E25-K121 IonicContact OE2-NZ 2.9Å; E25-K121 PolarHBondContact OE2-NZ 3.19Å
26E84.9Confident81.8Confident85 Ų8566.3 Ų66.340%0.39733%0.334SS..Hα-helixtrans-62.6-39.6175.4-73.7169.1157.500111.6T22 T23 S29 F30T22-E26 PolarHBondContact N-OE2 3.21Å; T22-E26 PolarHBondContact OG1-OE2 2.77Å; T22-E26 VanDerWaalsContact OG1-OE2 3.13Å; T23-E26 PolarHBondContact N-OE2 2.81Å; T23-E26 PolarHBondContact O-N 2.81Å; T23-E26 WeakPolarHBondContact OG1-CB 3.25Å; T23-E26 WeakPolarHBondContact OG1-CG 3.48Å; T23-E26 PolarHBondContact OG1-N 2.94Å; T23-E26 PolarHBondContact OG1-OE2 3.38Å; E26-S29 WeakPolarHBondContact O-CB 3.46Å; E26-S29 PolarHBondContact O-N 2.6Å; E26-F30 PolarHBondContact O-N 3.09Å
27K85.8Confident82.5Confident31 Ų3167.9 Ų67.914%0.13534%0.343CS..Hα-helixtrans-64.6-43.5175.9-72.7-175172.3-1450112.2S21 T23 S24 E25 S29 F30 Y31 G143 N144S21-K27 WeakPolarHBondContact O-CE 3.45Å; T23-K27 WeakPolarHBondContact O-CG 3.39Å; T23-K27 PolarHBondContact O-N 3.16Å; T23-K27 VanDerWaalsContact O-N 3.09Å; S24-K27 PolarHBondContact O-N 2.84Å; E25-K27 VanDerWaalsContact C-N 3.31Å; E25-K27 PolarHBondContact O-N 2.86Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.26Å; K27-F30 WeakPolarHBondContact O-CB 3.12Å; K27-F30 PolarHBondContact O-N 3.41Å; K27-Y31 WeakPolarHBondContact O-CD2 3.24Å; K27-Y31 PolarHBondContact O-N 3.33Å; K27-G143 VanDerWaalsContact CD-O 3.25Å; K27-G143 WeakPolarHBondContact CD-O 3.35Å; K27-G143 WeakPolarHBondContact CE-O 3.48Å; K27-G143 PolarHBondContact NZ-O 2.99Å; K27-N144 WeakPolarHBondContact CD-OD1 3.32Å; K27-N144 PolarHBondContact NZ-OD1 3.43Å
28I89Confident83.4Confident31 Ų3166.4 Ų66.416%0.15933%0.327CS..Hα-helixtrans-61.4-43.8172.9-68.6-52.4000111.1S24 E25 F30 Y31 N32 M118S24-I28 WeakPolarHBondContact O-CG1 3.37Å; S24-I28 PolarHBondContact O-N 3.19Å; E25-I28 PolarHBondContact O-N 2.97Å; I28-F30 VanDerWaalsContact C-N 3.26Å; I28-F30 PolarHBondContact O-N 3.14Å; I28-Y31 PolarHBondContact O-N 3.23Å; I28-N32 WeakPolarHBondContact O-CB 3.33Å; I28-N32 PolarHBondContact O-N 2.96Å; I28-N32 PolarHBondContact O-OD1 2.86Å; I28-M118 HydrophobicContact CD1-CE 4.07Å; I28-M118 HydrophobicContact CD1-SD 4.45Å; I28-M118 HydrophobicContact CG1-CE 3.39Å; I28-M118 HydrophobicContact CG1-SD 4.24Å
29S88.7Confident84.7Confident58 Ų5868.8 Ų68.841%0.40634%0.337SS..Hα-helixtrans-60.9-36.1176.1-178.50000112.5E25 E26 K27 R33E25-S29 WeakPolarHBondContact O-CB 3.43Å; E25-S29 PolarHBondContact O-N 2.93Å; E26-S29 WeakPolarHBondContact O-CB 3.46Å; E26-S29 PolarHBondContact O-N 2.6Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.26Å; S29-R33 WeakPolarHBondContact O-CG 3.2Å; S29-R33 PolarHBondContact O-N 2.63Å; S29-R33 PolarHBondContact O-NE 3.27Å; S29-R33 VanDerWaalsContact O-NE 3.09Å
30F88.4Confident85.9Confident17 Ų1769.4 Ų69.48%0.07534%0.34CS..Hα-helixtrans-63-55170.5169.1-98.6000111.8A18 E26 K27 I28 N32 R33 W34A18-F30 HydrophobicContact CB-CD1 3.47Å; A18-F30 VanDerWaalsContact CB-CD1 3.47Å; A18-F30 HydrophobicContact CB-CD2 3.48Å; A18-F30 VanDerWaalsContact CB-CD2 3.48Å; A18-F30 HydrophobicContact CB-CE1 3.24Å; A18-F30 HydrophobicContact CB-CE2 3.29Å; A18-F30 HydrophobicContact CB-CG 3.59Å; A18-F30 HydrophobicContact CB-CZ 3.17Å; E26-F30 PolarHBondContact O-N 3.09Å; K27-F30 WeakPolarHBondContact O-CB 3.12Å; K27-F30 PolarHBondContact O-N 3.41Å; I28-F30 VanDerWaalsContact C-N 3.26Å; I28-F30 PolarHBondContact O-N 3.14Å; F30-N32 VanDerWaalsContact C-N 3.28Å; F30-N32 PolarHBondContact O-N 3.16Å; F30-R33 PolarHBondContact O-N 2.89Å; F30-W34 HydrophobicContact CD1-CE3 4.38Å; F30-W34 HydrophobicContact CE1-CB 4.29Å; F30-W34 AromaticContact CE1-CD2 3.95Å; F30-W34 HydrophobicContact CE1-CD2 3.95Å; F30-W34 AromaticContact CE1-CE3 3.24Å; F30-W34 HydrophobicContact CE1-CE3 3.24Å; F30-W34 HydrophobicContact CE1-CG 4.41Å; F30-W34 AromaticContact CE1-CZ3 3.84Å; F30-W34 HydrophobicContact CE1-CZ3 3.84Å; F30-W34 HydrophobicContact CE2-CB 4.42Å; F30-W34 HydrophobicContact CZ-CB 4.03Å; F30-W34 AromaticContact CZ-CD2 3.68Å; F30-W34 HydrophobicContact CZ-CD2 3.68Å; F30-W34 AromaticContact CZ-CE3 3.43Å; F30-W34 HydrophobicContact CZ-CE3 3.43Å; F30-W34 VanDerWaalsContact CZ-CE3 3.43Å; F30-W34 AromaticContact CZ-CG 3.97Å; F30-W34 HydrophobicContact CZ-CG 3.97Å; F30-W34 HydrophobicContact CZ-CZ3 4.09Å; F30-W34 PolarHBondContact O-N 3.2Å
31Y89.8Confident87Confident60 Ų6061.7 Ų61.724%0.23531%0.307CS..Hα-helixtrans-60.1-37.8-179.9-76.8-63.6000112.4K27 I28 R33 W34 A35 M101K27-Y31 WeakPolarHBondContact O-CD2 3.24Å; K27-Y31 PolarHBondContact O-N 3.33Å; I28-Y31 PolarHBondContact O-N 3.23Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 2.83Å; Y31-W34 AromaticContact CD1-CE3 3.92Å; Y31-W34 HydrophobicContact CD1-CE3 3.92Å; Y31-W34 HydrophobicContact CD1-CZ3 4.42Å; Y31-W34 AromaticContact CE1-CE3 3.9Å; Y31-W34 HydrophobicContact CE1-CE3 3.9Å; Y31-W34 AromaticContact CE1-CZ3 3.94Å; Y31-W34 HydrophobicContact CE1-CZ3 3.94Å; Y31-W34 PolarHBondContact O-N 3.33Å; Y31-W34 VanDerWaalsContact O-N 3.13Å; Y31-A35 WeakPolarHBondContact O-CB 3.38Å; Y31-A35 PolarHBondContact O-N 3.46Å; Y31-M101 HydrophobicContact CD1-CE 3.52Å; Y31-M101 HydrophobicContact CG-CE 4.06Å; Y31-M101 WeakPolarHBondContact O-CE 3.49Å
32N91.9Very high88.2Confident58 Ų5861.1 Ų61.131%0.3130%0.303SS..Hα-helixtrans-57.6-40.7174.2-73-7.3000112.5I28 F30 S98 V100I28-N32 WeakPolarHBondContact O-CB 3.33Å; I28-N32 PolarHBondContact O-N 2.96Å; I28-N32 PolarHBondContact O-OD1 2.86Å; F30-N32 VanDerWaalsContact C-N 3.28Å; F30-N32 PolarHBondContact O-N 3.16Å; N32-S98 WeakPolarHBondContact OD1-CB 3.39Å; N32-S98 PolarHBondContact OD1-OG 2.94Å; N32-V100 HydrophobicContact CB-CB 4.28Å; N32-V100 HydrophobicContact CB-CG2 3.9Å
33R90.4Very high89.2Confident171 Ų17158.7 Ų58.765%0.64530%0.295SS*.Hα-helixtrans-74.9-33.1176.9-71.2177.4-70.4171.22.4112.1S29 F30 Y31S29-R33 WeakPolarHBondContact O-CG 3.2Å; S29-R33 PolarHBondContact O-N 2.63Å; S29-R33 PolarHBondContact O-NE 3.27Å; S29-R33 VanDerWaalsContact O-NE 3.09Å; F30-R33 PolarHBondContact O-N 2.89Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 2.83Å
34W90.3Very high89.6Confident25 Ų2557.9 Ų57.910%0.09529%0.29CS..Hα-helixtrans-79.8-24.1-177.6-165.821.7000113.6V15 F30 Y31 E36 N37 Y38 D41 V42V15-W34 HydrophobicContact CG2-CH2 3.85Å; V15-W34 HydrophobicContact CG2-CZ2 3.71Å; F30-W34 HydrophobicContact CD1-CE3 4.38Å; F30-W34 HydrophobicContact CE1-CB 4.29Å; F30-W34 AromaticContact CE1-CD2 3.95Å; F30-W34 HydrophobicContact CE1-CD2 3.95Å; F30-W34 AromaticContact CE1-CE3 3.24Å; F30-W34 HydrophobicContact CE1-CE3 3.24Å; F30-W34 HydrophobicContact CE1-CG 4.41Å; F30-W34 AromaticContact CE1-CZ3 3.84Å; F30-W34 HydrophobicContact CE1-CZ3 3.84Å; F30-W34 HydrophobicContact CE2-CB 4.42Å; F30-W34 HydrophobicContact CZ-CB 4.03Å; F30-W34 AromaticContact CZ-CD2 3.68Å; F30-W34 HydrophobicContact CZ-CD2 3.68Å; F30-W34 AromaticContact CZ-CE3 3.43Å; F30-W34 HydrophobicContact CZ-CE3 3.43Å; F30-W34 VanDerWaalsContact CZ-CE3 3.43Å; F30-W34 AromaticContact CZ-CG 3.97Å; F30-W34 HydrophobicContact CZ-CG 3.97Å; F30-W34 HydrophobicContact CZ-CZ3 4.09Å; F30-W34 PolarHBondContact O-N 3.2Å; Y31-W34 AromaticContact CD1-CE3 3.92Å; Y31-W34 HydrophobicContact CD1-CE3 3.92Å; Y31-W34 HydrophobicContact CD1-CZ3 4.42Å; Y31-W34 AromaticContact CE1-CE3 3.9Å; Y31-W34 HydrophobicContact CE1-CE3 3.9Å; Y31-W34 AromaticContact CE1-CZ3 3.94Å; Y31-W34 HydrophobicContact CE1-CZ3 3.94Å; Y31-W34 PolarHBondContact O-N 3.33Å; Y31-W34 VanDerWaalsContact O-N 3.13Å; W34-E36 PolarHBondContact O-N 2.95Å; W34-N37 PolarHBondContact O-N 3.04Å; W34-Y38 AromaticContact CD2-CD2 3.66Å; W34-Y38 HydrophobicContact CD2-CD2 3.66Å; W34-Y38 HydrophobicContact CD2-CE2 4.4Å; W34-Y38 AromaticContact CE2-CD2 3.87Å; W34-Y38 AromaticContact CE3-CD2 3.51Å; W34-Y38 HydrophobicContact CE3-CD2 3.51Å; W34-Y38 AromaticContact CE3-CE2 3.84Å; W34-Y38 HydrophobicContact CE3-CE2 3.84Å; W34-Y38 HydrophobicContact CG-CD2 4.38Å; W34-Y38 AromaticContact CH2-CD2 3.87Å; W34-Y38 HydrophobicContact CH2-CD2 3.87Å; W34-Y38 AromaticContact CH2-CE2 3.76Å; W34-Y38 HydrophobicContact CH2-CE2 3.76Å; W34-Y38 AromaticContact CZ2-CD2 3.98Å; W34-Y38 HydrophobicContact CZ2-CD2 3.98Å; W34-Y38 HydrophobicContact CZ2-CE2 4.3Å; W34-Y38 AromaticContact CZ3-CD2 3.64Å; W34-Y38 HydrophobicContact CZ3-CD2 3.64Å; W34-Y38 AromaticContact CZ3-CE2 3.52Å; W34-Y38 HydrophobicContact CZ3-CE2 3.52Å; W34-Y38 PolarHBondContact O-N 2.82Å; W34-D41 HydrophobicContact CZ2-CB 4Å; W34-D41 PolarHBondContact NE1-OD2 3.33Å; W34-V42 HydrophobicContact CH2-CG1 3.93Å; W34-V42 HydrophobicContact CZ2-CG1 3.95Å
35A91.5Very high90.2Very high4 Ų456.1 Ų56.13%0.03328%0.278CS..THydrogen-bonded Turntrans-51.1-31.9-171.800000115.4Y31 V100 M101 K104Y31-A35 WeakPolarHBondContact O-CB 3.38Å; Y31-A35 PolarHBondContact O-N 3.46Å; A35-V100 HydrophobicContact CB-CB 4.41Å; A35-V100 HydrophobicContact CB-CG1 3.62Å; A35-M101 HydrophobicContact CB-CE 4.18Å; A35-M101 HydrophobicContact CB-CG 4.39Å; A35-M101 HydrophobicContact CB-SD 3.66Å; A35-K104 HydrophobicContact CB-CG 4.36Å
36E91.1Very high90.7Very high122 Ų12254 Ų5457%0.5727%0.27SS*.THydrogen-bonded Turntrans-68.1-39.5178.1-167.860.5-128.700112.8W34 Q40 K104W34-E36 PolarHBondContact O-N 2.95Å; E36-Q40 PolarHBondContact O-OE1 2.82Å; E36-K104 IonicContact OE1-NZ 2.63Å; E36-K104 PolarHBondContact OE1-NZ 3.47Å; E36-K104 VanDerWaalsContact OE2-CE 3.28Å; E36-K104 WeakPolarHBondContact OE2-CE 3.37Å; E36-K104 IonicContact OE2-NZ 2.76Å; E36-K104 PolarHBondContact OE2-NZ 2.98Å
37N91.1Very high91.2Very high77 Ų7751.2 Ų51.241%0.41226%0.256SS..THydrogen-bonded Turntrans-104.4-2.9-174.6-60.3-37.8000112.9W34 E39 Q40 D41W34-N37 PolarHBondContact O-N 3.04Å; N37-E39 PolarHBondContact O-N 3.41Å; N37-Q40 VanDerWaalsContact C-OE1 3.31Å; N37-Q40 PolarHBondContact O-N 2.83Å; N37-Q40 PolarHBondContact O-OE1 2.86Å; N37-D41 WeakPolarHBondContact O-CB 3.18Å; N37-D41 VanDerWaalsContact O-CG 3.25Å; N37-D41 PolarHBondContact O-N 2.87Å
38Y91.8Very high91.8Very high34 Ų3453.8 Ų53.813%0.13327%0.265CS..Hα-helixtrans-51.1-52.6-169.7178.2-96.5000112.5W34 Q40 D41 V42 T77 L79 M101W34-Y38 AromaticContact CD2-CD2 3.66Å; W34-Y38 HydrophobicContact CD2-CD2 3.66Å; W34-Y38 HydrophobicContact CD2-CE2 4.4Å; W34-Y38 AromaticContact CE2-CD2 3.87Å; W34-Y38 AromaticContact CE3-CD2 3.51Å; W34-Y38 HydrophobicContact CE3-CD2 3.51Å; W34-Y38 AromaticContact CE3-CE2 3.84Å; W34-Y38 HydrophobicContact CE3-CE2 3.84Å; W34-Y38 HydrophobicContact CG-CD2 4.38Å; W34-Y38 AromaticContact CH2-CD2 3.87Å; W34-Y38 HydrophobicContact CH2-CD2 3.87Å; W34-Y38 AromaticContact CH2-CE2 3.76Å; W34-Y38 HydrophobicContact CH2-CE2 3.76Å; W34-Y38 AromaticContact CZ2-CD2 3.98Å; W34-Y38 HydrophobicContact CZ2-CD2 3.98Å; W34-Y38 HydrophobicContact CZ2-CE2 4.3Å; W34-Y38 AromaticContact CZ3-CD2 3.64Å; W34-Y38 HydrophobicContact CZ3-CD2 3.64Å; W34-Y38 AromaticContact CZ3-CE2 3.52Å; W34-Y38 HydrophobicContact CZ3-CE2 3.52Å; W34-Y38 PolarHBondContact O-N 2.82Å; Y38-Q40 PolarHBondContact O-N 2.86Å; Y38-D41 PolarHBondContact O-N 2.89Å; Y38-V42 HydrophobicContact CD2-CG1 4.23Å; Y38-V42 HydrophobicContact CE1-CG1 4.2Å; Y38-V42 HydrophobicContact CE1-CG2 4.31Å; Y38-V42 HydrophobicContact CE2-CG1 3.86Å; Y38-V42 WeakPolarHBondContact O-CG1 3.45Å; Y38-V42 WeakPolarHBondContact O-CG2 3.19Å; Y38-V42 PolarHBondContact O-N 3.21Å; Y38-T77 HydrophobicContact CD1-CG2 3.78Å; Y38-T77 HydrophobicContact CG-CG2 4.22Å; Y38-L79 HydrophobicContact CD1-CD1 4.41Å; Y38-L79 HydrophobicContact CE1-CD1 3.73Å; Y38-M101 HydrophobicContact CD2-CE 3.91Å; Y38-M101 HydrophobicContact CE2-CE 4.44Å; Y38-M101 HydrophobicContact CG-CE 4.17Å
39E92.8Very high92.2Very high59 Ų5952.3 Ų52.328%0.27626%0.257SS..Hα-helixtrans-67-37.8-175.7-63.4-164.5177.600112.7N37 A43 T77 L79 K82N37-E39 PolarHBondContact O-N 3.41Å; E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.27Å; E39-A43 VanDerWaalsContact O-N 3.13Å; E39-T77 HydrophobicContact CG-CG2 4.45Å; E39-T77 WeakPolarHBondContact CG-OG1 3.4Å; E39-T77 VanDerWaalsContact OE1-CB 3.31Å; E39-T77 WeakPolarHBondContact OE1-CB 3.47Å; E39-T77 PolarHBondContact OE1-OG1 2.91Å; E39-L79 HydrophobicContact CB-CD2 4.49Å; E39-L79 HydrophobicContact CG-CD2 3.84Å; E39-L79 HydrophobicContact CG-CG 4.26Å; E39-K82 IonicContact OE1-NZ 3.58Å; E39-K82 PolarHBondContact OE1-NZ 2.8Å; E39-K82 IonicContact OE2-NZ 3.03Å; E39-K82 PolarHBondContact OE2-NZ 2.56Å
40Q92.3Very high92.7Very high104 Ų10449.8 Ų49.849%0.48624%0.239SC..Hα-helixtrans-66.2-43.3175.8-64.379.62.400110.7E36 N37 Y38 A43 V44E36-Q40 PolarHBondContact O-OE1 2.82Å; N37-Q40 VanDerWaalsContact C-OE1 3.31Å; N37-Q40 PolarHBondContact O-N 2.83Å; N37-Q40 PolarHBondContact O-OE1 2.86Å; Y38-Q40 PolarHBondContact O-N 2.86Å; Q40-A43 WeakPolarHBondContact O-CB 3.5Å; Q40-A43 PolarHBondContact O-N 2.85Å; Q40-V44 WeakPolarHBondContact O-CG2 3.21Å; Q40-V44 PolarHBondContact O-N 3.21Å; Q40-V44 VanDerWaalsContact O-N 3.1Å
41D91.8Very high93.1Very high10 Ų1050.1 Ų50.15%0.05324%0.244CC..Hα-helixtrans-67.7-47.1-178.1-73-5.5000111.6N6 V11 W34 N37 Y38 A43 V44 L45N6-D41 PolarHBondContact ND2-OD1 2.75Å; V11-D41 HydrophobicContact CG1-CB 3.78Å; V11-D41 HydrophobicContact CG2-CB 4.15Å; V11-D41 WeakPolarHBondContact CG2-OD1 3.48Å; W34-D41 HydrophobicContact CZ2-CB 4Å; W34-D41 PolarHBondContact NE1-OD2 3.33Å; N37-D41 WeakPolarHBondContact O-CB 3.18Å; N37-D41 VanDerWaalsContact O-CG 3.25Å; N37-D41 PolarHBondContact O-N 2.87Å; Y38-D41 PolarHBondContact O-N 2.89Å; D41-A43 PolarHBondContact O-N 2.85Å; D41-V44 WeakPolarHBondContact O-CB 3.46Å; D41-V44 PolarHBondContact O-N 2.97Å; D41-V44 VanDerWaalsContact O-N 3.08Å; D41-L45 WeakPolarHBondContact O-CG 3.42Å; D41-L45 PolarHBondContact O-N 3.32Å
42V92.2Very high93.6Very high9 Ų948.7 Ų48.76%0.05524%0.24CC..Hα-helixtrans-68.5-24.6177.9-57.60000112.5W34 Y38 L45 D46 Y47 L79W34-V42 HydrophobicContact CH2-CG1 3.93Å; W34-V42 HydrophobicContact CZ2-CG1 3.95Å; Y38-V42 HydrophobicContact CD2-CG1 4.23Å; Y38-V42 HydrophobicContact CE1-CG1 4.2Å; Y38-V42 HydrophobicContact CE1-CG2 4.31Å; Y38-V42 HydrophobicContact CE2-CG1 3.86Å; Y38-V42 WeakPolarHBondContact O-CG1 3.45Å; Y38-V42 WeakPolarHBondContact O-CG2 3.19Å; Y38-V42 PolarHBondContact O-N 3.21Å; V42-L45 PolarHBondContact O-N 2.99Å; V42-D46 PolarHBondContact O-N 2.92Å; V42-Y47 HydrophobicContact CB-CD1 4.04Å; V42-Y47 HydrophobicContact CB-CG 4.32Å; V42-Y47 HydrophobicContact CG1-CD1 4.39Å; V42-Y47 HydrophobicContact CG2-CD1 4.35Å; V42-Y47 VanDerWaalsContact O-CB 3.28Å; V42-Y47 WeakPolarHBondContact O-CB 3.14Å; V42-Y47 PolarHBondContact O-N 2.88Å; V42-L79 HydrophobicContact CG2-CD1 3.78Å
43A92.7Very high93.9Very high72 Ų7245.9 Ų45.960%0.59523%0.225SC*.Hα-helixtrans-68.2-39.3169.300000112E39 Q40 D41 L45 D46E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.27Å; E39-A43 VanDerWaalsContact O-N 3.13Å; Q40-A43 WeakPolarHBondContact O-CB 3.5Å; Q40-A43 PolarHBondContact O-N 2.85Å; D41-A43 PolarHBondContact O-N 2.85Å; A43-L45 PolarHBondContact O-N 3.35Å; A43-D46 PolarHBondContact O-N 2.79Å
44V92.3Very high94.3Very high40 Ų4037.8 Ų37.824%0.24220%0.195CC..Hα-helixtrans-64-31.9173.5170.90000111.8N6 F8 V11 Q40 D41 D46 R206N6-V44 HydrophobicContact CB-CG2 4.38Å; N6-V44 WeakPolarHBondContact O-CG2 3.29Å; F8-V44 HydrophobicContact CB-CG1 4.2Å; F8-V44 HydrophobicContact CD2-CG1 4.41Å; V11-V44 HydrophobicContact CB-CG1 4.37Å; V11-V44 HydrophobicContact CG2-CB 4.14Å; V11-V44 HydrophobicContact CG2-CG1 4Å; V11-V44 HydrophobicContact CG2-CG2 4.47Å; Q40-V44 WeakPolarHBondContact O-CG2 3.21Å; Q40-V44 PolarHBondContact O-N 3.21Å; Q40-V44 VanDerWaalsContact O-N 3.1Å; D41-V44 WeakPolarHBondContact O-CB 3.46Å; D41-V44 PolarHBondContact O-N 2.97Å; D41-V44 VanDerWaalsContact O-N 3.08Å; V44-D46 PolarHBondContact O-N 3.4Å; V44-R206 WeakPolarHBondContact O-CD 3.43Å; V44-R206 PolarHBondContact O-NH1 3.08Å; V44-R206 VanDerWaalsContact O-NH1 3.08Å
45L92.2Very high94.7Very high2 Ų241.8 Ų41.81%0.0122%0.215CC..THydrogen-bonded Turntrans-77.2-3.9173-62.2179.9000113.5F8 V11 V15 D41 V42 A43 Y47 E205 R206 V208F8-L45 HydrophobicContact CD2-CD2 4.08Å; F8-L45 HydrophobicContact CE2-CD2 3.75Å; V11-L45 HydrophobicContact CG1-CD1 4.08Å; V11-L45 HydrophobicContact CG1-CD2 3.85Å; V11-L45 HydrophobicContact CG1-CG 3.78Å; V15-L45 HydrophobicContact CG2-CD1 4.16Å; D41-L45 WeakPolarHBondContact O-CG 3.42Å; D41-L45 PolarHBondContact O-N 3.32Å; V42-L45 PolarHBondContact O-N 2.99Å; A43-L45 PolarHBondContact O-N 3.35Å; L45-Y47 PolarHBondContact O-N 3.19Å; L45-E205 CarbonylContact O-C 3.55Å; L45-E205 WeakPolarHBondContact O-CA 3.48Å; L45-R206 WeakPolarHBondContact O-CB 3.38Å; L45-R206 WeakPolarHBondContact O-CG 3.36Å; L45-R206 PolarHBondContact O-N 3.49Å; L45-V208 HydrophobicContact CD1-CG1 4.3Å; L45-V208 HydrophobicContact CD2-CG1 3.63Å
46D94.2Very high95Very high66 Ų6642.1 Ų42.135%0.35322%0.217SC..THydrogen-bonded Turntrans50.648.3-173.1-169.129000111.2V42 A43 V44 R48 E205 R206 Y215V42-D46 PolarHBondContact O-N 2.92Å; A43-D46 PolarHBondContact O-N 2.79Å; V44-D46 PolarHBondContact O-N 3.4Å; D46-R48 WeakPolarHBondContact O-CG 3.38Å; D46-R48 PolarHBondContact O-N 3.45Å; D46-E205 WeakPolarHBondContact O-CA 3.46Å; D46-R206 HydrophobicContact CB-CG 4.37Å; D46-Y215 HydrophobicContact CB-CE1 3.94Å; D46-Y215 WeakPolarHBondContact CB-OH 3.44Å; D46-Y215 VanDerWaalsContact OD2-CE1 3.25Å; D46-Y215 WeakPolarHBondContact OD2-CE1 2.99Å; D46-Y215 VanDerWaalsContact OD2-CZ 3.31Å; D46-Y215 PolarHBondContact OD2-OH 3.4Å
47Y95.6Very high95.4Very high25 Ų2536.3 Ų36.310%0.09819%0.189CC..  trans-75104.7-177.1179.1-129.6000111.3V42 L45 A49 P50 G138 W204 E205V42-Y47 HydrophobicContact CB-CD1 4.04Å; V42-Y47 HydrophobicContact CB-CG 4.32Å; V42-Y47 HydrophobicContact CG1-CD1 4.39Å; V42-Y47 HydrophobicContact CG2-CD1 4.35Å; V42-Y47 VanDerWaalsContact O-CB 3.28Å; V42-Y47 WeakPolarHBondContact O-CB 3.14Å; V42-Y47 PolarHBondContact O-N 2.88Å; L45-Y47 PolarHBondContact O-N 3.19Å; Y47-A49 HydrophobicContact CD2-CB 4.21Å; Y47-A49 HydrophobicContact CE1-CB 4.23Å; Y47-A49 HydrophobicContact CE2-CB 3.4Å; Y47-A49 VanDerWaalsContact CZ-CB 3.41Å; Y47-A49 WeakPolarHBondContact OH-CB 3.31Å; Y47-P50 HydrophobicContact CD1-CG 4.04Å; Y47-P50 HydrophobicContact CE1-CG 3.73Å; Y47-G138 WeakPolarHBondContact OH-CA 3.28Å; Y47-G138 PolarHBondContact OH-N 3.09Å; Y47-W204 AromaticContact CE2-NE1 3.82Å; Y47-E205 HydrophobicContact CD2-CB 4.1Å; Y47-E205 WeakPolarHBondContact CD2-OE2 3.36Å
48R97.4Very high95.7Very high86 Ų8633.3 Ų33.333%0.32517%0.174SC..  trans-94.9-7.7-169.3-67.7168.965-167.88.6115.2D46 P50 S51 L52 D203 W204D46-R48 WeakPolarHBondContact O-CG 3.38Å; D46-R48 PolarHBondContact O-N 3.45Å; R48-P50 VanDerWaalsContact C-CD 3.49Å; R48-S51 PolarHBondContact O-N 2.75Å; R48-S51 PolarHBondContact O-OG 3.37Å; R48-L52 HydrophobicContact CB-CD1 3.64Å; R48-L52 HydrophobicContact CB-CG 4.24Å; R48-L52 WeakPolarHBondContact O-CB 3.38Å; R48-L52 WeakPolarHBondContact O-CD1 3.46Å; R48-L52 VanDerWaalsContact O-CG 3.25Å; R48-L52 WeakPolarHBondContact O-CG 3.47Å; R48-L52 PolarHBondContact O-N 3.1Å; R48-D203 WeakPolarHBondContact CD-O 3.34Å; R48-D203 PolarHBondContact NH1-O 2.79Å; R48-W204 PolarHBondContact N-O 3.03Å
49A97.9Very high96Very high0 Ų035.7 Ų35.70%020%0.196CC..Hα-helixtrans-55.5-43.5-173.900000114.3Y47 S51 L52 A53 V137 W204Y47-A49 HydrophobicContact CD2-CB 4.21Å; Y47-A49 HydrophobicContact CE1-CB 4.23Å; Y47-A49 HydrophobicContact CE2-CB 3.4Å; Y47-A49 VanDerWaalsContact CZ-CB 3.41Å; Y47-A49 WeakPolarHBondContact OH-CB 3.31Å; A49-S51 PolarHBondContact O-N 3.27Å; A49-L52 PolarHBondContact O-N 3.2Å; A49-A53 WeakPolarHBondContact O-CB 3.08Å; A49-A53 PolarHBondContact O-N 3.3Å; A49-V137 HydrophobicContact CB-CG1 3.57Å; A49-W204 HydrophobicContact CB-CD2 4.47Å; A49-W204 HydrophobicContact CB-CH2 3.63Å; A49-W204 HydrophobicContact CB-CZ2 3.12Å; A49-W204 HydrophobicContact CB-CZ3 4.45Å
50P98.5Very high96.3Very high4 Ų435.9 Ų35.93%0.02620%0.197CC..Hα-helixtrans-63.2-43.1-177.6-24.636.7000113.3Y47 R48 A54 L79 V80 V137Y47-P50 HydrophobicContact CD1-CG 4.04Å; Y47-P50 HydrophobicContact CE1-CG 3.73Å; R48-P50 VanDerWaalsContact C-CD 3.49Å; P50-A54 WeakPolarHBondContact O-CB 3.4Å; P50-A54 PolarHBondContact O-N 3.28Å; P50-L79 HydrophobicContact CB-CB 3.99Å; P50-L79 HydrophobicContact CG-CB 4.01Å; P50-L79 HydrophobicContact CG-CD1 4.32Å; P50-V80 HydrophobicContact CB-CG2 4.02Å; P50-V137 HydrophobicContact CG-CG1 4.13Å
51S98.4Very high96.5Very high25 Ų2531.6 Ų31.618%0.17518%0.176CC..Hα-helixtrans-66.6-44.5175.843.50000111.9R48 A49 A53 A54 E55R48-S51 PolarHBondContact O-N 2.75Å; R48-S51 PolarHBondContact O-OG 3.37Å; A49-S51 PolarHBondContact O-N 3.27Å; S51-A53 PolarHBondContact O-N 3.24Å; S51-A54 PolarHBondContact O-N 2.99Å; S51-E55 WeakPolarHBondContact O-CB 3.12Å; S51-E55 VanDerWaalsContact O-CG 3.29Å; S51-E55 WeakPolarHBondContact O-CG 3.48Å; S51-E55 PolarHBondContact O-N 3.33Å
52L98.6Very high96.6Very high29 Ų2936.8 Ų36.815%0.15221%0.214CC..Hα-helixtrans-64.5-40.6-177.3-69.9164.5000111.8R48 A49 C56 V201 W204 V220R48-L52 HydrophobicContact CB-CD1 3.64Å; R48-L52 HydrophobicContact CB-CG 4.24Å; R48-L52 WeakPolarHBondContact O-CB 3.38Å; R48-L52 WeakPolarHBondContact O-CD1 3.46Å; R48-L52 VanDerWaalsContact O-CG 3.25Å; R48-L52 WeakPolarHBondContact O-CG 3.47Å; R48-L52 PolarHBondContact O-N 3.1Å; A49-L52 PolarHBondContact O-N 3.2Å; L52-C56 VanDerWaalsContact O-CB 3.28Å; L52-C56 WeakPolarHBondContact O-CB 3.41Å; L52-C56 PolarHBondContact O-N 3.04Å; L52-V201 HydrophobicContact CD1-CB 4.46Å; L52-V201 HydrophobicContact CD1-CG1 3.93Å; L52-V201 HydrophobicContact CD1-CG2 4.1Å; L52-W204 HydrophobicContact CD1-CE3 3.88Å; L52-W204 HydrophobicContact CD1-CZ3 3.76Å; L52-V220 HydrophobicContact CB-CG2 4.03Å
53A98.8Very high96.6Very high0 Ų040.3 Ų40.30%024%0.239CC..Hα-helixtrans-63-47.4174.200000111.5A49 S51 E55 C56 I57 V135 V137 T166A49-A53 WeakPolarHBondContact O-CB 3.08Å; A49-A53 PolarHBondContact O-N 3.3Å; S51-A53 PolarHBondContact O-N 3.24Å; A53-E55 VanDerWaalsContact C-N 3.35Å; A53-E55 PolarHBondContact O-N 2.87Å; A53-C56 PolarHBondContact O-N 3.03Å; A53-I57 WeakPolarHBondContact O-CD1 3.33Å; A53-I57 VanDerWaalsContact O-CG1 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.25Å; A53-I57 PolarHBondContact O-N 2.79Å; A53-V135 HydrophobicContact CB-CG2 4.47Å; A53-V137 HydrophobicContact CB-CG2 3.66Å; A53-T166 HydrophobicContact CB-CG2 4.06Å
54A98.8Very high96.8Very high0 Ų039.3 Ų39.30%023%0.231CC..Hα-helixtrans-61.7-41.5179.400000112.2P50 S51 S58 H83 M84 L87P50-A54 WeakPolarHBondContact O-CB 3.4Å; P50-A54 PolarHBondContact O-N 3.28Å; S51-A54 PolarHBondContact O-N 2.99Å; A54-S58 WeakPolarHBondContact O-CB 3.22Å; A54-S58 PolarHBondContact O-N 2.63Å; A54-H83 HydrophobicContact CB-CB 3.67Å; A54-M84 HydrophobicContact CB-CG 3.69Å; A54-L87 HydrophobicContact CB-CD1 3.81Å; A54-L87 WeakPolarHBondContact O-CD1 3.5Å
55E98.6Very high97Very high110 Ų11041 Ų4151%0.51423%0.233SC..Hα-helixtrans-65-45.3175.9-73.9167.2-168.700112.1S51 A53 S58 S59S51-E55 WeakPolarHBondContact O-CB 3.12Å; S51-E55 VanDerWaalsContact O-CG 3.29Å; S51-E55 WeakPolarHBondContact O-CG 3.48Å; S51-E55 PolarHBondContact O-N 3.33Å; A53-E55 VanDerWaalsContact C-N 3.35Å; A53-E55 PolarHBondContact O-N 2.87Å; E55-S58 PolarHBondContact O-N 2.66Å; E55-S59 PolarHBondContact O-N 3.44Å; E55-S59 PolarHBondContact O-OG 3.37Å
56C98.7Very high97.3Very high11 Ų1145.9 Ų45.97%0.07426%0.255CS..Hα-helixtrans-62-43.1177.6-179.30000112.1L52 A53 S59 H60 V220L52-C56 VanDerWaalsContact O-CB 3.28Å; L52-C56 WeakPolarHBondContact O-CB 3.41Å; L52-C56 PolarHBondContact O-N 3.04Å; A53-C56 PolarHBondContact O-N 3.03Å; C56-S59 PolarHBondContact O-OG 3.07Å; C56-H60 PolarHBondContact O-ND1 3.33Å; C56-V220 HydrophobicContact CB-CG1 3.97Å
57I98.6Very high97.5Very high0 Ų046 Ų460%027%0.266CS..Hα-helixtrans-61.4-49.9172.9-65.9158.3000109.8A53 S59 H60 F61 M84 F89 V133 V135 C164 L222A53-I57 WeakPolarHBondContact O-CD1 3.33Å; A53-I57 VanDerWaalsContact O-CG1 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.25Å; A53-I57 PolarHBondContact O-N 2.79Å; I57-S59 VanDerWaalsContact C-N 3.29Å; I57-S59 PolarHBondContact O-N 2.76Å; I57-H60 PolarHBondContact O-N 3.27Å; I57-H60 VanDerWaalsContact O-N 3.13Å; I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.22Å; I57-F61 PolarHBondContact O-N 3.39Å; I57-M84 HydrophobicContact CD1-CE 4.18Å; I57-M84 HydrophobicContact CD1-SD 4.17Å; I57-M84 HydrophobicContact CG2-CE 4.11Å; I57-F89 HydrophobicContact CG2-CE2 4.44Å; I57-F89 HydrophobicContact CG2-CZ 3.88Å; I57-V133 HydrophobicContact CD1-CG1 3.94Å; I57-V133 HydrophobicContact CG1-CG1 4.31Å; I57-V133 HydrophobicContact CG2-CG1 3.98Å; I57-V133 HydrophobicContact CG2-CG2 4.06Å; I57-V135 HydrophobicContact CD1-CB 4.17Å; I57-V135 HydrophobicContact CD1-CG2 4.02Å; I57-C164 HydrophobicContact CD1-CB 3.64Å; I57-C164 HydrophobicContact CG1-CB 3.58Å; I57-L222 HydrophobicContact CG1-CD1 4.31Å
58S98.1Very high97.6Very high13 Ų1345 Ų459%0.09126%0.262CS..Hα-helixtrans-61.6-34.1-176.3176.90000113A54 E55 H60 R65A54-S58 WeakPolarHBondContact O-CB 3.22Å; A54-S58 PolarHBondContact O-N 2.63Å; E55-S58 PolarHBondContact O-N 2.66Å; S58-H60 VanDerWaalsContact C-N 3.26Å; S58-H60 PolarHBondContact O-N 3.08Å; S58-R65 PolarHBondContact O-NH2 3.22Å; S58-R65 PolarHBondContact OG-NH1 2.95Å; S58-R65 PolarHBondContact OG-NH2 3.12Å
59S98.1Very high97.7Very high84 Ų8442.9 Ų42.959%0.58726%0.257SS*.Hα-helixtrans-69.9-24.2178.864.60000113E55 C56 I57E55-S59 PolarHBondContact O-N 3.44Å; E55-S59 PolarHBondContact O-OG 3.37Å; C56-S59 PolarHBondContact O-OG 3.07Å; I57-S59 VanDerWaalsContact C-N 3.29Å; I57-S59 PolarHBondContact O-N 2.76Å
60H98.1Very high97.7Very high64 Ų6442.9 Ų42.930%0.29626%0.257SS..Hα-helixtrans-102-19.9-179.8-69.977.5000113.9C56 I57 S58 S62 F162 E197 L222C56-H60 PolarHBondContact O-ND1 3.33Å; I57-H60 PolarHBondContact O-N 3.27Å; I57-H60 VanDerWaalsContact O-N 3.13Å; S58-H60 VanDerWaalsContact C-N 3.26Å; S58-H60 PolarHBondContact O-N 3.08Å; H60-S62 PolarHBondContact O-N 3.39Å; H60-F162 HydrophobicContact CB-CD1 4.47Å; H60-F162 HydrophobicContact CB-CE1 3.91Å; H60-E197 IonicContact CE1-OE2 3.87Å; H60-E197 PolarHBondContact CE1-OE2 3.17Å; H60-E197 IonicContact ND1-OE2 2.94Å; H60-E197 IonicContact NE2-OE2 2.74Å; H60-L222 HydrophobicContact CB-CD2 3.65Å; H60-L222 VanDerWaalsContact ND1-CD2 3.34Å; H60-L222 WeakPolarHBondContact ND1-CD2 3.33Å
61F96.9Very high97.7Very high13 Ų1342.7 Ų42.76%0.05726%0.256CS..  trans-86.3101.8-177.6-157.5-85.1000111.4I57 S63 R65 A68 F89 D132 V133 F162I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.22Å; I57-F61 PolarHBondContact O-N 3.39Å; F61-S63 WeakPolarHBondContact CD1-O 3.42Å; F61-S63 WeakPolarHBondContact CE1-O 3.45Å; F61-R65 HydrophobicContact CD1-CG 3.75Å; F61-R65 HydrophobicContact CE1-CG 4.29Å; F61-A68 HydrophobicContact CE1-CB 3.76Å; F61-A68 HydrophobicContact CE2-CB 4.31Å; F61-A68 HydrophobicContact CZ-CB 3.45Å; F61-A68 VanDerWaalsContact CZ-CB 3.45Å; F61-F89 HydrophobicContact CB-CZ 4.1Å; F61-F89 HydrophobicContact CD1-CE1 4.11Å; F61-F89 HydrophobicContact CD1-CZ 4.11Å; F61-F89 HydrophobicContact CD2-CE1 4.44Å; F61-F89 HydrophobicContact CE1-CE1 4.27Å; F61-F89 HydrophobicContact CG-CE1 4.19Å; F61-F89 AromaticContact CG-CZ 3.99Å; F61-F89 HydrophobicContact CG-CZ 3.99Å; F61-D132 HydrophobicContact CE2-CB 4.19Å; F61-D132 HydrophobicContact CZ-CB 4.23Å; F61-V133 HydrophobicContact CD2-CG2 3.78Å; F61-V133 HydrophobicContact CE2-CG2 3.67Å; F61-F162 AromaticContact CD2-CD2 3.65Å; F61-F162 HydrophobicContact CD2-CD2 3.65Å; F61-F162 AromaticContact CD2-CE2 3.66Å; F61-F162 HydrophobicContact CD2-CE2 3.66Å; F61-F162 AromaticContact CE2-CD2 3.98Å; F61-F162 HydrophobicContact CE2-CD2 3.98Å; F61-F162 HydrophobicContact CE2-CE2 4.08Å
62S93.4Very high97.8Very high120 Ų12041.5 Ų41.584%0.83925%0.248SC*.  trans-94.6-15.2-177.756.70000114.8H60H60-S62 PolarHBondContact O-N 3.39Å
63S93.4Very high97.8Very high82 Ų8240.1 Ų40.157%0.57324%0.241SC*.SBendtrans-73169.2175.2-60.10000111.7F61 R65F61-S63 WeakPolarHBondContact CD1-O 3.42Å; F61-S63 WeakPolarHBondContact CE1-O 3.45Å; S63-R65 PolarHBondContact O-N 2.87Å
64A95.9Very high97.7Very high52 Ų5241.1 Ų41.143%0.4325%0.249SC..  trans-57.3107.1174.100000110.8E66 A67 A68A64-E66 VanDerWaalsContact C-N 3.27Å; A64-E66 PolarHBondContact O-N 2.91Å; A64-A67 HydrophobicContact CB-CB 4.28Å; A64-A67 PolarHBondContact O-N 3.13Å; A64-A68 PolarHBondContact O-N 2.68Å
65R97.8Very high97.7Very high75 Ų7541.5 Ų41.528%0.28325%0.251SS..G310 helixtrans-67.8-32.3-174.4-67.1177.7-172.6161.84.2111.6S58 F61 S63 A67 A68 L87 G88 F89S58-R65 PolarHBondContact O-NH2 3.22Å; S58-R65 PolarHBondContact OG-NH1 2.95Å; S58-R65 PolarHBondContact OG-NH2 3.12Å; F61-R65 HydrophobicContact CD1-CG 3.75Å; F61-R65 HydrophobicContact CE1-CG 4.29Å; S63-R65 PolarHBondContact O-N 2.87Å; R65-A67 PolarHBondContact O-N 3.31Å; R65-A68 WeakPolarHBondContact O-CB 3.48Å; R65-A68 PolarHBondContact O-N 2.81Å; R65-A68 VanDerWaalsContact O-N 3.15Å; R65-L87 WeakPolarHBondContact CD-O 3.45Å; R65-L87 PolarHBondContact NH1-O 2.98Å; R65-G88 CarbonylContact C-O 3.49Å; R65-F89 HydrophobicContact CB-CD1 4.16Å; R65-F89 HydrophobicContact CB-CD2 4.29Å; R65-F89 HydrophobicContact CB-CE1 4.17Å; R65-F89 HydrophobicContact CB-CE2 4.3Å; R65-F89 HydrophobicContact CB-CG 4.22Å; R65-F89 HydrophobicContact CB-CZ 4.24Å; R65-F89 HydrophobicContact CG-CD2 4.48Å; R65-F89 HydrophobicContact CG-CE1 4.16Å; R65-F89 HydrophobicContact CG-CE2 4.02Å; R65-F89 HydrophobicContact CG-CZ 3.84Å
66E97.8Very high97.7Very high105 Ų10536.7 Ų36.749%0.49123%0.231SC..G310 helixtrans-64.7-27.1178.267-83-161.200112.6A64 G88 E90 H91A64-E66 VanDerWaalsContact C-N 3.27Å; A64-E66 PolarHBondContact O-N 2.91Å; E66-G88 WeakPolarHBondContact CA-O 3.43Å; E66-G88 PolarHBondContact N-O 3.45Å; E66-E90 HydrophobicContact CB-CG 4.02Å; E66-H91 PolarHBondContact O-CD2 3.16Å; E66-H91 PolarHBondContact O-NE2 3Å
67A97.8Very high97.6Very high69 Ų6936.3 Ų36.357%0.5723%0.228SC*.G310 helixtrans-92.9-8.6177.200000113.4A64 R65A64-A67 HydrophobicContact CB-CB 4.28Å; A64-A67 PolarHBondContact O-N 3.13Å; R65-A67 PolarHBondContact O-N 3.31Å
68A98.4Very high97.6Very high3 Ų336.3 Ų36.33%0.02523%0.228CC..  trans-74.9131.1-174.700000111.4F61 A64 R65 F89 D132F61-A68 HydrophobicContact CE1-CB 3.76Å; F61-A68 HydrophobicContact CE2-CB 4.31Å; F61-A68 HydrophobicContact CZ-CB 3.45Å; F61-A68 VanDerWaalsContact CZ-CB 3.45Å; A64-A68 PolarHBondContact O-N 2.68Å; R65-A68 WeakPolarHBondContact O-CB 3.48Å; R65-A68 PolarHBondContact O-N 2.81Å; R65-A68 VanDerWaalsContact O-N 3.15Å; A68-F89 HydrophobicContact CB-CD1 3.93Å; A68-F89 HydrophobicContact CB-CE1 3.96Å; A68-D132 HydrophobicContact CB-CB 4.23Å
69L98.6Very high97.6Very high41 Ų4137 Ų3722%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-91.3115.8174.4-17265.2000110.3H91 V93 R130 F131 D132 V133L69-H91 HydrophobicContact CD1-CB 3.9Å; L69-V93 HydrophobicContact CD1-CG2 4.29Å; L69-R130 HydrophobicContact CD2-CG 4.18Å; L69-F131 HydrophobicContact CB-CD1 4.47Å; L69-F131 HydrophobicContact CD2-CD1 3.83Å; L69-F131 HydrophobicContact CD2-CE1 3.87Å; L69-F131 HydrophobicContact CG-CD1 3.65Å; L69-F131 HydrophobicContact CG-CE1 3.89Å; L69-D132 PolarHBondContact N-OD2 2.99Å; L69-D132 PolarHBondContact O-N 2.86Å; L69-V133 PolarHBondContact O-N 3.3Å
70V98.9Very high97.7Very high0 Ų033.4 Ų33.40%021%0.206CC..EExtended strand (participates in β ladder)trans-102.2131-177.9-173.70000110.4M84 F89 H91 F92 V93 V133 V135V70-M84 HydrophobicContact CB-CE 4.5Å; V70-M84 HydrophobicContact CG1-CE 3.92Å; V70-M84 HydrophobicContact CG1-SD 3.95Å; V70-M84 HydrophobicContact CG2-CE 3.73Å; V70-F89 HydrophobicContact CG2-CB 4.47Å; V70-F89 HydrophobicContact CG2-CD1 3.78Å; V70-F89 HydrophobicContact CG2-CE1 4.45Å; V70-F89 HydrophobicContact CG2-CG 4.42Å; V70-H91 WeakPolarHBondContact CB-O 3.31Å; V70-H91 PolarHBondContact N-O 3.11Å; V70-F92 HydrophobicContact CB-CD1 3.77Å; V70-F92 HydrophobicContact CB-CE1 4.11Å; V70-F92 HydrophobicContact CG1-CD1 4Å; V70-F92 HydrophobicContact CG1-CE1 4.26Å; V70-F92 HydrophobicContact CG2-CD1 4.22Å; V70-F92 HydrophobicContact CG2-CE1 4.09Å; V70-F92 WeakPolarHBondContact O-CA 3.29Å; V70-V93 PolarHBondContact O-N 3.05Å; V70-V133 CarbonylContact C-O 3.59Å; V70-V133 WeakPolarHBondContact CA-O 3.43Å; V70-V133 HydrophobicContact CG1-CB 4.3Å; V70-V133 HydrophobicContact CG1-CG1 4.33Å; V70-V133 HydrophobicContact CG2-CB 4.25Å; V70-V135 HydrophobicContact CG1-CG1 4.08Å
71L98.9Very high97.7Very high0 Ų030.4 Ų30.40%019%0.191CC..EExtended strand (participates in β ladder)trans-100.8117164.4-177.663.5000109.5V73 V93 V95 V126 F131 V133 V134 V135 A156L71-V73 HydrophobicContact CD1-CG2 4.45Å; L71-V73 HydrophobicContact CD2-CG2 3.7Å; L71-V73 HydrophobicContact CG-CG2 3.62Å; L71-V93 WeakPolarHBondContact CA-O 3.48Å; L71-V93 HydrophobicContact CD1-CB 4.1Å; L71-V93 HydrophobicContact CD1-CG1 3.92Å; L71-V95 HydrophobicContact CD1-CG2 3.93Å; L71-V126 HydrophobicContact CD1-CG1 4.07Å; L71-V126 HydrophobicContact CD2-CG2 3.99Å; L71-F131 HydrophobicContact CB-CB 4.21Å; L71-F131 HydrophobicContact CB-CD1 3.51Å; L71-F131 HydrophobicContact CB-CD2 3.97Å; L71-F131 HydrophobicContact CB-CE1 3.72Å; L71-F131 HydrophobicContact CB-CE2 4.16Å; L71-F131 HydrophobicContact CB-CG 3.63Å; L71-F131 HydrophobicContact CB-CZ 4.01Å; L71-F131 HydrophobicContact CD1-CE1 4.11Å; L71-F131 HydrophobicContact CD1-CE2 4.26Å; L71-F131 HydrophobicContact CD1-CZ 3.81Å; L71-F131 HydrophobicContact CD2-CD2 4.03Å; L71-F131 HydrophobicContact CD2-CE2 3.92Å; L71-F131 HydrophobicContact CD2-CZ 4.3Å; L71-F131 HydrophobicContact CG-CE1 4.41Å; L71-F131 HydrophobicContact CG-CE2 4.34Å; L71-F131 HydrophobicContact CG-CZ 4.25Å; L71-V133 PolarHBondContact N-O 2.86Å; L71-V134 HydrophobicContact CB-CG1 4.39Å; L71-V134 HydrophobicContact CB-CG2 4.09Å; L71-V134 HydrophobicContact CD2-CG1 4.14Å; L71-V134 HydrophobicContact CD2-CG2 4.28Å; L71-V134 WeakPolarHBondContact O-CA 3.37Å; L71-V135 PolarHBondContact O-N 3.13Å; L71-A156 HydrophobicContact CD2-CB 3.77Å
72D98.9Very high97.8Very high1 Ų132.8 Ų32.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-99.8102.6174.8-169.73.3000108.9C75 V93 G94 V95 Y111 V135D72-C75 HydrophobicContact CB-CB 3.88Å; D72-C75 WeakPolarHBondContact O-CB 3.45Å; D72-C75 WeakPolarHBondContact OD2-CB 3.36Å; D72-V93 PolarHBondContact N-O 3.23Å; D72-G94 WeakPolarHBondContact O-CA 3.2Å; D72-V95 PolarHBondContact O-N 3.38Å; D72-Y111 HydrophobicContact CB-CE1 4.04Å; D72-Y111 PolarHBondContact OD2-OH 3.18Å; D72-V135 HydrophobicContact CB-CG1 4.3Å
73V98.7Very high98Very high0 Ų029.7 Ų29.70%017%0.174CC..EExtended strand (participates in β ladder)trans-95.2131.3-175.5-176.90000109.6L71 L119 L124 V134 V135 I136 L153L71-V73 HydrophobicContact CD1-CG2 4.45Å; L71-V73 HydrophobicContact CD2-CG2 3.7Å; L71-V73 HydrophobicContact CG-CG2 3.62Å; V73-L119 HydrophobicContact CG1-CD1 3.63Å; V73-L119 HydrophobicContact CG1-CD2 3.74Å; V73-L119 HydrophobicContact CG1-CG 4.35Å; V73-L124 HydrophobicContact CG1-CD2 4.06Å; V73-L124 HydrophobicContact CG2-CD1 4.49Å; V73-V134 HydrophobicContact CG2-CG1 4.11Å; V73-V135 PolarHBondContact N-O 3.33Å; V73-I136 HydrophobicContact CB-CB 4.29Å; V73-I136 HydrophobicContact CG1-CD1 4.13Å; V73-I136 WeakPolarHBondContact O-CA 3.4Å; V73-I136 WeakPolarHBondContact O-CG1 3.31Å; V73-L153 HydrophobicContact CB-CD2 3.91Å; V73-L153 HydrophobicContact CG1-CD2 3.95Å; V73-L153 HydrophobicContact CG2-CD2 3.62Å
74A97.6Very high98.3Very high21 Ų2125.8 Ų25.817%0.17415%0.147CC..THydrogen-bonded Turntrans56.250-163.700000111.4G76 V95 D96 L119 I136 A139A74-G76 PolarHBondContact O-N 3.39Å; A74-G76 VanDerWaalsContact O-N 3.16Å; A74-V95 VanDerWaalsContact CA-O 3.22Å; A74-V95 WeakPolarHBondContact CA-O 3.18Å; A74-V95 PolarHBondContact N-O 3.03Å; A74-D96 VanDerWaalsContact C-OD2 3.26Å; A74-D96 WeakPolarHBondContact CA-OD2 3.37Å; A74-L119 HydrophobicContact CB-CD1 3.96Å; A74-I136 HydrophobicContact CB-CG1 4.49Å; A74-A139 HydrophobicContact CB-CB 3.43Å; A74-A139 VanDerWaalsContact CB-CB 3.43Å
75C98.4Very high98.4Very high7 Ų727.3 Ų27.35%0.04714%0.144CC..  trans-64.5-18.4-170.8630000114.6D72 T77 G78 V95 D96 Y111D72-C75 HydrophobicContact CB-CB 3.88Å; D72-C75 WeakPolarHBondContact O-CB 3.45Å; D72-C75 WeakPolarHBondContact OD2-CB 3.36Å; C75-T77 PolarHBondContact O-N 3.16Å; C75-G78 WeakPolarHBondContact O-CA 3.45Å; C75-G78 PolarHBondContact O-N 3.01Å; C75-V95 PolarHBondContact N-O 2.84Å; C75-D96 PolarHBondContact N-OD2 3.3Å; C75-Y111 HydrophobicContact CB-CE1 4.3Å
76G97.9Very high98.4Very high9 Ų931.7 Ų31.79%0.09317%0.165CC..THydrogen-bonded Turntrans56-127.3-178.900000111.6A74 G78 D96 M101A74-G76 PolarHBondContact O-N 3.39Å; A74-G76 VanDerWaalsContact O-N 3.16Å; G76-G78 VanDerWaalsContact C-N 3.28Å; G76-D96 WeakPolarHBondContact CA-OD2 3.41Å; G76-D96 PolarHBondContact N-OD2 2.61Å; G76-M101 CarbonylContact O-C 3.46Å; G76-M101 VanDerWaalsContact O-O 3.11Å
77T98.1Very high98.5Very high3 Ų329.3 Ų29.32%0.01816%0.155CC..THydrogen-bonded Turntrans-84.3-0.3174.967.30000113.6Y38 E39 C75 M101 K104 A105Y38-T77 HydrophobicContact CD1-CG2 3.78Å; Y38-T77 HydrophobicContact CG-CG2 4.22Å; E39-T77 HydrophobicContact CG-CG2 4.45Å; E39-T77 WeakPolarHBondContact CG-OG1 3.4Å; E39-T77 VanDerWaalsContact OE1-CB 3.31Å; E39-T77 WeakPolarHBondContact OE1-CB 3.47Å; E39-T77 PolarHBondContact OE1-OG1 2.91Å; C75-T77 PolarHBondContact O-N 3.16Å; T77-M101 HydrophobicContact CG2-SD 3.62Å; T77-K104 HydrophobicContact CG2-CB 3.81Å; T77-K104 HydrophobicContact CG2-CG 4.27Å; T77-A105 WeakPolarHBondContact O-CA 3.39Å
78G98.3Very high98.5Very high0 Ų027.5 Ų27.50%014%0.143CC..  trans86.731.8176.400000116.6C75 G76 V80 A81 K82 Y111C75-G78 WeakPolarHBondContact O-CA 3.45Å; C75-G78 PolarHBondContact O-N 3.01Å; G76-G78 VanDerWaalsContact C-N 3.28Å; G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 2.97Å; G78-A81 PolarHBondContact O-N 2.87Å; G78-K82 WeakPolarHBondContact O-CG 3.31Å; G78-K82 PolarHBondContact O-N 3.03Å; G78-K82 VanDerWaalsContact O-N 3.08Å; G78-Y111 WeakPolarHBondContact CA-OH 3.33Å
79L98.3Very high98.5Very high29 Ų2927.3 Ų27.315%0.15214%0.142CC..Hα-helixtrans-57.2-42.3177-73.2177.1000112.7Y38 E39 V42 P50 K82 H83Y38-L79 HydrophobicContact CD1-CD1 4.41Å; Y38-L79 HydrophobicContact CE1-CD1 3.73Å; E39-L79 HydrophobicContact CB-CD2 4.49Å; E39-L79 HydrophobicContact CG-CD2 3.84Å; E39-L79 HydrophobicContact CG-CG 4.26Å; V42-L79 HydrophobicContact CG2-CD1 3.78Å; P50-L79 HydrophobicContact CB-CB 3.99Å; P50-L79 HydrophobicContact CG-CB 4.01Å; P50-L79 HydrophobicContact CG-CD1 4.32Å; L79-K82 HydrophobicContact CD2-CD 4.49Å; L79-K82 WeakPolarHBondContact O-CB 3.22Å; L79-K82 PolarHBondContact O-N 3.3Å; L79-H83 PolarHBondContact O-CD2 2.84Å; L79-H83 PolarHBondContact O-N 3.34Å; L79-H83 VanDerWaalsContact O-N 3.12Å
80V98.6Very high98.5Very high8 Ų829.4 Ų29.45%0.04815%0.151CC..Hα-helixtrans-62.6-49-179.8-177.10000110.6P50 G78 K82 H83 M84 V135 V137P50-V80 HydrophobicContact CB-CG2 4.02Å; G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 2.97Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.3Å; V80-H83 PolarHBondContact O-N 3.21Å; V80-M84 HydrophobicContact CG1-CG 4.26Å; V80-M84 HydrophobicContact CG1-SD 3.98Å; V80-M84 WeakPolarHBondContact O-CG 3.27Å; V80-M84 PolarHBondContact O-N 3.29Å; V80-V135 HydrophobicContact CG1-CG1 3.99Å; V80-V135 HydrophobicContact CG1-CG2 4.01Å; V80-V137 HydrophobicContact CG1-CG2 4.47Å; V80-V137 HydrophobicContact CG2-CB 3.6Å; V80-V137 HydrophobicContact CG2-CG1 4.13Å; V80-V137 HydrophobicContact CG2-CG2 3.5Å
81A98.8Very high98.5Very high0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-58.2-39.5176.400000112.4G78 H83 M84 K85 F92 L110 Y111G78-A81 PolarHBondContact O-N 2.87Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-H83 PolarHBondContact O-N 2.9Å; A81-M84 PolarHBondContact O-N 2.83Å; A81-K85 WeakPolarHBondContact O-CB 3.35Å; A81-K85 PolarHBondContact O-N 2.87Å; A81-F92 HydrophobicContact CB-CD1 3.71Å; A81-F92 HydrophobicContact CB-CD2 4.33Å; A81-F92 HydrophobicContact CB-CE1 3.91Å; A81-F92 HydrophobicContact CB-CE2 4.49Å; A81-F92 HydrophobicContact CB-CG 3.94Å; A81-F92 HydrophobicContact CB-CZ 4.29Å; A81-L110 HydrophobicContact CB-CD1 4.08Å; A81-Y111 HydrophobicContact CB-CE1 4.17Å; A81-Y111 HydrophobicContact CB-CE2 4.03Å; A81-Y111 WeakPolarHBondContact CB-OH 3.4Å
82K98.6Very high98.5Very high63 Ų6333 Ų3327%0.27417%0.167SC..Hα-helixtrans-60.1-40174.6-71.4170.5177.9173.50112.4E39 G78 L79 V80 K86 L110E39-K82 IonicContact OE1-NZ 3.58Å; E39-K82 PolarHBondContact OE1-NZ 2.8Å; E39-K82 IonicContact OE2-NZ 3.03Å; E39-K82 PolarHBondContact OE2-NZ 2.56Å; G78-K82 WeakPolarHBondContact O-CG 3.31Å; G78-K82 PolarHBondContact O-N 3.03Å; G78-K82 VanDerWaalsContact O-N 3.08Å; L79-K82 HydrophobicContact CD2-CD 4.49Å; L79-K82 WeakPolarHBondContact O-CB 3.22Å; L79-K82 PolarHBondContact O-N 3.3Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.3Å; K82-K86 WeakPolarHBondContact O-CG 3.5Å; K82-L110 HydrophobicContact CB-CD1 4.3Å; K82-L110 HydrophobicContact CG-CD1 3.7Å
83H98.7Very high98.5Very high56 Ų5633.1 Ų33.126%0.25917%0.168SC..Hα-helixtrans-71.1-45.5175.2-76.4-77.1000112A54 L79 V80 A81 K85 K86 L87A54-H83 HydrophobicContact CB-CB 3.67Å; L79-H83 PolarHBondContact O-CD2 2.84Å; L79-H83 PolarHBondContact O-N 3.34Å; L79-H83 VanDerWaalsContact O-N 3.12Å; V80-H83 PolarHBondContact O-N 3.21Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-H83 PolarHBondContact O-N 2.9Å; H83-K85 VanDerWaalsContact C-N 3.3Å; H83-K85 PolarHBondContact O-N 3.35Å; H83-K86 WeakPolarHBondContact O-CB 3.42Å; H83-K86 PolarHBondContact O-N 3.33Å; H83-K86 VanDerWaalsContact O-N 3.16Å; H83-L87 PolarHBondContact O-N 3.05Å
84M98.8Very high98.5Very high0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-63-34.9178.4-69.5-173.473.400112.5A54 I57 V70 V80 A81 K86 L87 G88 F89 F92 V133 V135A54-M84 HydrophobicContact CB-CG 3.69Å; I57-M84 HydrophobicContact CD1-CE 4.18Å; I57-M84 HydrophobicContact CD1-SD 4.17Å; I57-M84 HydrophobicContact CG2-CE 4.11Å; V70-M84 HydrophobicContact CB-CE 4.5Å; V70-M84 HydrophobicContact CG1-CE 3.92Å; V70-M84 HydrophobicContact CG1-SD 3.95Å; V70-M84 HydrophobicContact CG2-CE 3.73Å; V80-M84 HydrophobicContact CG1-CG 4.26Å; V80-M84 HydrophobicContact CG1-SD 3.98Å; V80-M84 WeakPolarHBondContact O-CG 3.27Å; V80-M84 PolarHBondContact O-N 3.29Å; A81-M84 PolarHBondContact O-N 2.83Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 2.76Å; M84-L87 CarbonylContact O-C 3.45Å; M84-L87 WeakPolarHBondContact O-CA 3.28Å; M84-L87 WeakPolarHBondContact O-CB 3.35Å; M84-L87 PolarHBondContact O-N 2.91Å; M84-G88 PolarHBondContact O-N 3.34Å; M84-F89 HydrophobicContact CB-CB 4.06Å; M84-F89 HydrophobicContact CB-CD2 4Å; M84-F89 HydrophobicContact CB-CG 4.25Å; M84-F89 HydrophobicContact CE-CB 4.36Å; M84-F89 HydrophobicContact CE-CD1 3.76Å; M84-F89 HydrophobicContact CE-CD2 3.74Å; M84-F89 HydrophobicContact CE-CE1 3.89Å; M84-F89 HydrophobicContact CE-CE2 3.87Å; M84-F89 HydrophobicContact CE-CG 3.69Å; M84-F89 HydrophobicContact CE-CZ 3.94Å; M84-F89 WeakPolarHBondContact O-CD2 3.39Å; M84-F89 PolarHBondContact O-N 2.94Å; M84-F89 VanDerWaalsContact O-N 3.14Å; M84-F92 HydrophobicContact CB-CE1 3.71Å; M84-F92 HydrophobicContact CB-CZ 3.81Å; M84-F92 HydrophobicContact SD-CE1 4.18Å; M84-V133 HydrophobicContact CE-CG1 4.33Å; M84-V135 HydrophobicContact SD-CG1 4.44Å
85K98.7Very high98.5Very high84 Ų8432.1 Ų32.137%0.36516%0.16SC..Hα-helixtrans-60-39.2174.6-178.459.2176.9177.40112.4A81 H83 L87 G88 F89 E90 F92 L110A81-K85 WeakPolarHBondContact O-CB 3.35Å; A81-K85 PolarHBondContact O-N 2.87Å; H83-K85 VanDerWaalsContact C-N 3.3Å; H83-K85 PolarHBondContact O-N 3.35Å; K85-L87 PolarHBondContact O-N 3.46Å; K85-G88 PolarHBondContact O-N 3.33Å; K85-F89 WeakPolarHBondContact CA-O 3.47Å; K85-F89 WeakPolarHBondContact CD-O 3.44Å; K85-E90 VanDerWaalsContact NZ-CD 3.29Å; K85-E90 IonicContact NZ-OE1 3.03Å; K85-E90 PolarHBondContact NZ-OE1 3.19Å; K85-F92 HydrophobicContact CB-CE2 4.48Å; K85-L110 HydrophobicContact CB-CD2 4.14Å; K85-L110 HydrophobicContact CD-CD2 4.36Å; K85-L110 HydrophobicContact CG-CD2 3.87Å
86K98.5Very high98.5Very high167 Ų16732.7 Ų32.773%0.72616%0.162SC*.Hα-helixtrans-65.2-21.8174.9-63170.1-175.6174.90112.6K82 H83 M84K82-K86 WeakPolarHBondContact O-CG 3.5Å; H83-K86 WeakPolarHBondContact O-CB 3.42Å; H83-K86 PolarHBondContact O-N 3.33Å; H83-K86 VanDerWaalsContact O-N 3.16Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 2.76Å
87L98.4Very high98.4Very high54 Ų5432.8 Ų32.828%0.28316%0.163SC..THydrogen-bonded Turntrans-96.23.2179.5-62.6168000113.2A54 R65 H83 M84 K85 F89A54-L87 HydrophobicContact CB-CD1 3.81Å; A54-L87 WeakPolarHBondContact O-CD1 3.5Å; R65-L87 WeakPolarHBondContact CD-O 3.45Å; R65-L87 PolarHBondContact NH1-O 2.98Å; H83-L87 PolarHBondContact O-N 3.05Å; M84-L87 CarbonylContact O-C 3.45Å; M84-L87 WeakPolarHBondContact O-CA 3.28Å; M84-L87 WeakPolarHBondContact O-CB 3.35Å; M84-L87 PolarHBondContact O-N 2.91Å; K85-L87 PolarHBondContact O-N 3.46Å; L87-F89 HydrophobicContact CB-CD2 4.4Å
88G98.4Very high98.3Very high31 Ų3132.6 Ų32.632%0.3216%0.162SC..THydrogen-bonded Turntrans102.42.617300000115.9R65 E66 M84 K85R65-G88 CarbonylContact C-O 3.49Å; E66-G88 WeakPolarHBondContact CA-O 3.43Å; E66-G88 PolarHBondContact N-O 3.45Å; M84-G88 PolarHBondContact O-N 3.34Å; K85-G88 PolarHBondContact O-N 3.33Å
89F98.7Very high98.2Very high0 Ų036.5 Ų36.50%018%0.18CC..  trans-78.6140175.1-67-92.5000111.4I57 F61 R65 A68 V70 M84 K85 L87 F92 V133I57-F89 HydrophobicContact CG2-CE2 4.44Å; I57-F89 HydrophobicContact CG2-CZ 3.88Å; F61-F89 HydrophobicContact CB-CZ 4.1Å; F61-F89 HydrophobicContact CD1-CE1 4.11Å; F61-F89 HydrophobicContact CD1-CZ 4.11Å; F61-F89 HydrophobicContact CD2-CE1 4.44Å; F61-F89 HydrophobicContact CE1-CE1 4.27Å; F61-F89 HydrophobicContact CG-CE1 4.19Å; F61-F89 AromaticContact CG-CZ 3.99Å; F61-F89 HydrophobicContact CG-CZ 3.99Å; R65-F89 HydrophobicContact CB-CD1 4.16Å; R65-F89 HydrophobicContact CB-CD2 4.29Å; R65-F89 HydrophobicContact CB-CE1 4.17Å; R65-F89 HydrophobicContact CB-CE2 4.3Å; R65-F89 HydrophobicContact CB-CG 4.22Å; R65-F89 HydrophobicContact CB-CZ 4.24Å; R65-F89 HydrophobicContact CG-CD2 4.48Å; R65-F89 HydrophobicContact CG-CE1 4.16Å; R65-F89 HydrophobicContact CG-CE2 4.02Å; R65-F89 HydrophobicContact CG-CZ 3.84Å; A68-F89 HydrophobicContact CB-CD1 3.93Å; A68-F89 HydrophobicContact CB-CE1 3.96Å; V70-F89 HydrophobicContact CG2-CB 4.47Å; V70-F89 HydrophobicContact CG2-CD1 3.78Å; V70-F89 HydrophobicContact CG2-CE1 4.45Å; V70-F89 HydrophobicContact CG2-CG 4.42Å; M84-F89 HydrophobicContact CB-CB 4.06Å; M84-F89 HydrophobicContact CB-CD2 4Å; M84-F89 HydrophobicContact CB-CG 4.25Å; M84-F89 HydrophobicContact CE-CB 4.36Å; M84-F89 HydrophobicContact CE-CD1 3.76Å; M84-F89 HydrophobicContact CE-CD2 3.74Å; M84-F89 HydrophobicContact CE-CE1 3.89Å; M84-F89 HydrophobicContact CE-CE2 3.87Å; M84-F89 HydrophobicContact CE-CG 3.69Å; M84-F89 HydrophobicContact CE-CZ 3.94Å; M84-F89 WeakPolarHBondContact O-CD2 3.39Å; M84-F89 PolarHBondContact O-N 2.94Å; M84-F89 VanDerWaalsContact O-N 3.14Å; K85-F89 WeakPolarHBondContact CA-O 3.47Å; K85-F89 WeakPolarHBondContact CD-O 3.44Å; L87-F89 HydrophobicContact CB-CD2 4.4Å; F89-F92 HydrophobicContact CB-CE1 4.16Å; F89-F92 HydrophobicContact CB-CZ 3.66Å; F89-F92 WeakPolarHBondContact O-CE2 3.37Å; F89-V133 HydrophobicContact CE1-CG2 4.23Å
90E98.4Very high98.2Very high85 Ų8538.3 Ų38.340%0.39719%0.193SC..  trans-125.5-17.2-173.1-56.8-150.7139.900115.6E66 K85 Q112E66-E90 HydrophobicContact CB-CG 4.02Å; K85-E90 VanDerWaalsContact NZ-CD 3.29Å; K85-E90 IonicContact NZ-OE1 3.03Å; K85-E90 PolarHBondContact NZ-OE1 3.19Å; E90-Q112 PolarHBondContact O-NE2 3.38Å
91H98.6Very high98.1Very high73 Ų7338.1 Ų38.134%0.33819%0.191SC..EExtended strand (participates in β ladder)trans-118.6110.1-172.9-56.6-49.3000111.7E66 L69 V70 Q112E66-H91 PolarHBondContact O-CD2 3.16Å; E66-H91 PolarHBondContact O-NE2 3Å; L69-H91 HydrophobicContact CD1-CB 3.9Å; V70-H91 WeakPolarHBondContact CB-O 3.31Å; V70-H91 PolarHBondContact N-O 3.11Å; H91-Q112 PolarHBondContact ND1-NE2 3.14Å
92F98.9Very high98.1Very high1 Ų138.1 Ų38.10%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-123.8130.6-175.9-55.5-84.3000111.4V70 A81 M84 K85 F89 L110 Y111 Q112V70-F92 HydrophobicContact CB-CD1 3.77Å; V70-F92 HydrophobicContact CB-CE1 4.11Å; V70-F92 HydrophobicContact CG1-CD1 4Å; V70-F92 HydrophobicContact CG1-CE1 4.26Å; V70-F92 HydrophobicContact CG2-CD1 4.22Å; V70-F92 HydrophobicContact CG2-CE1 4.09Å; V70-F92 WeakPolarHBondContact O-CA 3.29Å; A81-F92 HydrophobicContact CB-CD1 3.71Å; A81-F92 HydrophobicContact CB-CD2 4.33Å; A81-F92 HydrophobicContact CB-CE1 3.91Å; A81-F92 HydrophobicContact CB-CE2 4.49Å; A81-F92 HydrophobicContact CB-CG 3.94Å; A81-F92 HydrophobicContact CB-CZ 4.29Å; M84-F92 HydrophobicContact CB-CE1 3.71Å; M84-F92 HydrophobicContact CB-CZ 3.81Å; M84-F92 HydrophobicContact SD-CE1 4.18Å; K85-F92 HydrophobicContact CB-CE2 4.48Å; F89-F92 HydrophobicContact CB-CE1 4.16Å; F89-F92 HydrophobicContact CB-CZ 3.66Å; F89-F92 WeakPolarHBondContact O-CE2 3.37Å; F92-L110 HydrophobicContact CD2-CB 4.27Å; F92-L110 WeakPolarHBondContact CD2-O 3.34Å; F92-Y111 HydrophobicContact CB-CD1 3.63Å; F92-Y111 HydrophobicContact CB-CE1 3.9Å; F92-Y111 HydrophobicContact CB-CG 4.29Å; F92-Y111 WeakPolarHBondContact O-CA 3.41Å; F92-Q112 PolarHBondContact O-N 2.94Å; F92-Q112 PolarHBondContact O-OE1 3.38Å
93V98.8Very high98.1Very high5 Ų536 Ų363%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-111.1127.6162.8177.80000107.3L69 V70 L71 D72 D113 V126 F131L69-V93 HydrophobicContact CD1-CG2 4.29Å; V70-V93 PolarHBondContact O-N 3.05Å; L71-V93 WeakPolarHBondContact CA-O 3.48Å; L71-V93 HydrophobicContact CD1-CB 4.1Å; L71-V93 HydrophobicContact CD1-CG1 3.92Å; D72-V93 PolarHBondContact N-O 3.23Å; V93-D113 WeakPolarHBondContact CA-O 3.37Å; V93-D113 HydrophobicContact CG1-CB 4.18Å; V93-D113 HydrophobicContact CG2-CB 4.21Å; V93-V126 HydrophobicContact CG1-CG1 4.44Å; V93-F131 HydrophobicContact CB-CE1 3.82Å; V93-F131 HydrophobicContact CB-CZ 4.2Å; V93-F131 HydrophobicContact CG1-CE1 4.47Å; V93-F131 HydrophobicContact CG1-CZ 4.35Å; V93-F131 HydrophobicContact CG2-CE1 3.81Å; V93-F131 HydrophobicContact CG2-CZ 4.31Å
94G98.6Very high98.1Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-108.1142.318000000111.9D72 D113 L114 K115D72-G94 WeakPolarHBondContact O-CA 3.2Å; G94-D113 PolarHBondContact N-O 3.1Å; G94-L114 WeakPolarHBondContact O-CA 3.09Å; G94-K115 PolarHBondContact O-N 3.17Å
95V98.4Very high98.1Very high0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-126.9131.6171.1179.50000108.7L71 D72 A74 C75 K115 C117 L119 L124 P125 V126L71-V95 HydrophobicContact CD1-CG2 3.93Å; D72-V95 PolarHBondContact O-N 3.38Å; A74-V95 VanDerWaalsContact CA-O 3.22Å; A74-V95 WeakPolarHBondContact CA-O 3.18Å; A74-V95 PolarHBondContact N-O 3.03Å; C75-V95 PolarHBondContact N-O 2.84Å; V95-K115 WeakPolarHBondContact CA-O 3.33Å; V95-K115 HydrophobicContact CG2-CB 4.41Å; V95-C117 HydrophobicContact CG1-CB 3.5Å; V95-L119 HydrophobicContact CG1-CD2 4.36Å; V95-L124 HydrophobicContact CG1-CD2 4.24Å; V95-P125 HydrophobicContact CG1-CG 4.45Å; V95-P125 HydrophobicContact CG2-CG 4.39Å; V95-V126 HydrophobicContact CG2-CG1 4.41Å
96D98Very high98Very high18 Ų1837.4 Ų37.410%0.09619%0.19CC..EExtended strand (participates in β ladder)trans-151.1156.1174.1-157.5-80.2000111.1A74 C75 G76 S98 L102 K115 Q116 C117A74-D96 VanDerWaalsContact C-OD2 3.26Å; A74-D96 WeakPolarHBondContact CA-OD2 3.37Å; C75-D96 PolarHBondContact N-OD2 3.3Å; G76-D96 WeakPolarHBondContact CA-OD2 3.41Å; G76-D96 PolarHBondContact N-OD2 2.61Å; D96-S98 WeakPolarHBondContact OD1-CB 3.46Å; D96-S98 PolarHBondContact OD1-N 3.05Å; D96-L102 HydrophobicContact CB-CD2 3.6Å; D96-L102 HydrophobicContact CB-CG 3.9Å; D96-K115 PolarHBondContact N-O 2.95Å; D96-Q116 CarbonylContact O-C 3.55Å; D96-Q116 VanDerWaalsContact O-CA 3.24Å; D96-Q116 WeakPolarHBondContact O-CA 3.28Å; D96-C117 CarbonylContact C-O 3.57Å; D96-C117 PolarHBondContact O-N 2.85Å
97G95.6Very high98Very high11 Ų1136.4 Ų36.411%0.11319%0.187CC..SBendtrans-79.2-20.9175.600000113.4Q116 C117G97-Q116 PolarHBondContact O-NE2 2.85Å; G97-C117 WeakPolarHBondContact CA-O 3.47Å; G97-C117 PolarHBondContact N-O 3.36Å
98S96.1Very high97.9Very high0 Ų035.5 Ų35.50%019%0.186CC..  trans-100.4113.1-176168.50000111.8N32 D96 V100 M101 L102N32-S98 WeakPolarHBondContact OD1-CB 3.39Å; N32-S98 PolarHBondContact OD1-OG 2.94Å; D96-S98 WeakPolarHBondContact OD1-CB 3.46Å; D96-S98 PolarHBondContact OD1-N 3.05Å; S98-V100 PolarHBondContact O-N 2.74Å; S98-V100 PolarHBondContact OG-N 2.78Å; S98-M101 PolarHBondContact O-N 3.47Å; S98-M101 WeakPolarHBondContact OG-CG 3.28Å; S98-M101 PolarHBondContact OG-N 3.24Å; S98-L102 WeakPolarHBondContact O-CG 3.48Å; S98-L102 PolarHBondContact O-N 3.46Å
99E96.5Very high97.9Very high82 Ų8237.3 Ų37.338%0.38320%0.204SC..Hα-helixtrans-64-27173.5-169.957.5-142.100112.3L102 G103 R106E99-L102 PolarHBondContact O-N 3.19Å; E99-G103 PolarHBondContact O-N 3.06Å; E99-R106 IonicContact OE1-CZ 2.82Å; E99-R106 IonicContact OE1-NH1 3.81Å; E99-R106 IonicContact OE1-NH2 2.76Å; E99-R106 PolarHBondContact OE1-NH2 2.91Å
100V97.4Very high97.9Very high67 Ų6738.7 Ų38.741%0.40621%0.211SC..Hα-helixtrans-69-42.9175.8-175.10000110.7N32 A35 S98 G103 K104N32-V100 HydrophobicContact CB-CB 4.28Å; N32-V100 HydrophobicContact CB-CG2 3.9Å; A35-V100 HydrophobicContact CB-CB 4.41Å; A35-V100 HydrophobicContact CB-CG1 3.62Å; S98-V100 PolarHBondContact O-N 2.74Å; S98-V100 PolarHBondContact OG-N 2.78Å; V100-G103 WeakPolarHBondContact O-CA 3.43Å; V100-G103 PolarHBondContact O-N 3.35Å; V100-K104 PolarHBondContact O-N 2.89Å; V100-K104 VanDerWaalsContact O-N 3.16Å
101M97.6Very high97.9Very high3 Ų335.9 Ų35.92%0.01520%0.197CC..Hα-helixtrans-62.1-46.1172.4-71.9-64.9-165.700111.1Y31 A35 Y38 G76 T77 S98 G103 K104 A105Y31-M101 HydrophobicContact CD1-CE 3.52Å; Y31-M101 HydrophobicContact CG-CE 4.06Å; Y31-M101 WeakPolarHBondContact O-CE 3.49Å; A35-M101 HydrophobicContact CB-CE 4.18Å; A35-M101 HydrophobicContact CB-CG 4.39Å; A35-M101 HydrophobicContact CB-SD 3.66Å; Y38-M101 HydrophobicContact CD2-CE 3.91Å; Y38-M101 HydrophobicContact CE2-CE 4.44Å; Y38-M101 HydrophobicContact CG-CE 4.17Å; G76-M101 CarbonylContact O-C 3.46Å; G76-M101 VanDerWaalsContact O-O 3.11Å; T77-M101 HydrophobicContact CG2-SD 3.62Å; S98-M101 PolarHBondContact O-N 3.47Å; S98-M101 WeakPolarHBondContact OG-CG 3.28Å; S98-M101 PolarHBondContact OG-N 3.24Å; M101-G103 PolarHBondContact O-N 3.45Å; M101-K104 CarbonylContact O-C 3.57Å; M101-K104 WeakPolarHBondContact O-CA 3.02Å; M101-K104 WeakPolarHBondContact O-CB 3.24Å; M101-K104 PolarHBondContact O-N 3.36Å; M101-A105 PolarHBondContact O-N 2.97Å
102L98.5Very high97.9Very high0 Ų037.7 Ų37.70%021%0.206CC..Hα-helixtrans-58.7-35.8173.9-65.9176.1000111.9D96 S98 E99 K104 A105 R106 L114 Q116D96-L102 HydrophobicContact CB-CD2 3.6Å; D96-L102 HydrophobicContact CB-CG 3.9Å; S98-L102 WeakPolarHBondContact O-CG 3.48Å; S98-L102 PolarHBondContact O-N 3.46Å; E99-L102 PolarHBondContact O-N 3.19Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.13Å; L102-A105 PolarHBondContact O-N 3.25Å; L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.29Å; L102-R106 PolarHBondContact O-N 3.17Å; L102-L114 HydrophobicContact CD2-CB 4.27Å; L102-L114 HydrophobicContact CD2-CD2 3.93Å; L102-Q116 HydrophobicContact CD1-CB 3.96Å; L102-Q116 HydrophobicContact CD1-CG 4.42Å
103G98.4Very high97.8Very high20 Ų2040.7 Ų40.721%0.20622%0.222CC..Hα-helixtrans-55.9-44.9170.700000112.9E99 V100 M101 Q107E99-G103 PolarHBondContact O-N 3.06Å; V100-G103 WeakPolarHBondContact O-CA 3.43Å; V100-G103 PolarHBondContact O-N 3.35Å; M101-G103 PolarHBondContact O-N 3.45Å; G103-Q107 WeakPolarHBondContact O-CG 3.42Å; G103-Q107 PolarHBondContact O-N 3.43Å
104K98.1Very high97.8Very high42 Ų4241.7 Ų41.718%0.18323%0.227CC..Hα-helixtrans-69-43.6175-66-69.5-176.7175.90112.1A35 E36 T77 V100 M101 L102 R106 Q107A35-K104 HydrophobicContact CB-CG 4.36Å; E36-K104 IonicContact OE1-NZ 2.63Å; E36-K104 PolarHBondContact OE1-NZ 3.47Å; E36-K104 VanDerWaalsContact OE2-CE 3.28Å; E36-K104 WeakPolarHBondContact OE2-CE 3.37Å; E36-K104 IonicContact OE2-NZ 2.76Å; E36-K104 PolarHBondContact OE2-NZ 2.98Å; T77-K104 HydrophobicContact CG2-CB 3.81Å; T77-K104 HydrophobicContact CG2-CG 4.27Å; V100-K104 PolarHBondContact O-N 2.89Å; V100-K104 VanDerWaalsContact O-N 3.16Å; M101-K104 CarbonylContact O-C 3.57Å; M101-K104 WeakPolarHBondContact O-CA 3.02Å; M101-K104 WeakPolarHBondContact O-CB 3.24Å; M101-K104 PolarHBondContact O-N 3.36Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.13Å; K104-R106 VanDerWaalsContact C-N 3.28Å; K104-R106 PolarHBondContact O-N 3.33Å; K104-Q107 WeakPolarHBondContact O-CB 3.32Å; K104-Q107 PolarHBondContact O-N 3.04Å; K104-Q107 VanDerWaalsContact O-N 3.15Å
105A98.4Very high97.8Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-58-41.517500000111.6T77 M101 L102 Q107 S108 Y111 L114T77-A105 WeakPolarHBondContact O-CA 3.39Å; M101-A105 PolarHBondContact O-N 2.97Å; L102-A105 PolarHBondContact O-N 3.25Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 2.89Å; A105-S108 VanDerWaalsContact O-CB 3.29Å; A105-S108 WeakPolarHBondContact O-CB 3.28Å; A105-S108 PolarHBondContact O-N 2.95Å; A105-S108 VanDerWaalsContact O-N 3.09Å; A105-S108 PolarHBondContact O-OG 2.89Å; A105-Y111 HydrophobicContact CB-CD2 4.1Å; A105-Y111 HydrophobicContact CB-CE2 3.85Å; A105-L114 HydrophobicContact CB-CD1 4.24Å; A105-L114 HydrophobicContact CB-CD2 4.19Å
106R98.5Very high97.7Very high127 Ų12749.7 Ų49.748%0.47926%0.264SS..Hα-helixtrans-60.4-37.1177.4-164.1175.5-65.4111.9-5.2112.5E99 L102 K104 S108 G109 L114E99-R106 IonicContact OE1-CZ 2.82Å; E99-R106 IonicContact OE1-NH1 3.81Å; E99-R106 IonicContact OE1-NH2 2.76Å; E99-R106 PolarHBondContact OE1-NH2 2.91Å; L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.29Å; L102-R106 PolarHBondContact O-N 3.17Å; K104-R106 VanDerWaalsContact C-N 3.28Å; K104-R106 PolarHBondContact O-N 3.33Å; R106-S108 PolarHBondContact O-N 3.48Å; R106-G109 PolarHBondContact O-N 3.28Å; R106-G109 VanDerWaalsContact O-N 3.15Å; R106-L114 HydrophobicContact CB-CD1 3.65Å; R106-L114 HydrophobicContact CG-CD1 4.18Å
107Q97.6Very high97.6Very high146 Ų14649 Ų4968%0.68226%0.26SS*.Hα-helixtrans-65.7-20.6177.7-68.1168.611.800113.2G103 K104 A105 G109G103-Q107 WeakPolarHBondContact O-CG 3.42Å; G103-Q107 PolarHBondContact O-N 3.43Å; K104-Q107 WeakPolarHBondContact O-CB 3.32Å; K104-Q107 PolarHBondContact O-N 3.04Å; K104-Q107 VanDerWaalsContact O-N 3.15Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 2.89Å; Q107-G109 PolarHBondContact O-N 3.05Å
108S96.2Very high97.4Very high35 Ų3550.6 Ų50.625%0.24527%0.265CS..THydrogen-bonded Turntrans-67.4-22.9174.575.40000113.3A105 R106 L110A105-S108 VanDerWaalsContact O-CB 3.29Å; A105-S108 WeakPolarHBondContact O-CB 3.28Å; A105-S108 PolarHBondContact O-N 2.95Å; A105-S108 VanDerWaalsContact O-N 3.09Å; A105-S108 PolarHBondContact O-OG 2.89Å; R106-S108 PolarHBondContact O-N 3.48Å; S108-L110 PolarHBondContact O-N 2.92Å; S108-L110 PolarHBondContact OG-N 2.95Å
109G98Very high97.3Very high68 Ų6851.5 Ų51.570%0.70127%0.27SS*.THydrogen-bonded Turntrans68.39.2-174.200000114.9R106 Q107R106-G109 PolarHBondContact O-N 3.28Å; R106-G109 VanDerWaalsContact O-N 3.15Å; Q107-G109 PolarHBondContact O-N 3.05Å
110L98.5Very high96.8Very high30 Ų3049.5 Ų49.516%0.15727%0.271CS..  trans-86.6-29-175.9-62.3177.4000113.8A81 K82 K85 F92 S108A81-L110 HydrophobicContact CB-CD1 4.08Å; K82-L110 HydrophobicContact CB-CD1 4.3Å; K82-L110 HydrophobicContact CG-CD1 3.7Å; K85-L110 HydrophobicContact CB-CD2 4.14Å; K85-L110 HydrophobicContact CD-CD2 4.36Å; K85-L110 HydrophobicContact CG-CD2 3.87Å; F92-L110 HydrophobicContact CD2-CB 4.27Å; F92-L110 WeakPolarHBondContact CD2-O 3.34Å; S108-L110 PolarHBondContact O-N 2.92Å; S108-L110 PolarHBondContact OG-N 2.95Å
111Y98.8Very high96.3Very high25 Ų2551.6 Ų51.610%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-91.3125.9-171.8-64.3-90.2000111.8D72 C75 G78 A81 F92 A105 D113 L114D72-Y111 HydrophobicContact CB-CE1 4.04Å; D72-Y111 PolarHBondContact OD2-OH 3.18Å; C75-Y111 HydrophobicContact CB-CE1 4.3Å; G78-Y111 WeakPolarHBondContact CA-OH 3.33Å; A81-Y111 HydrophobicContact CB-CE1 4.17Å; A81-Y111 HydrophobicContact CB-CE2 4.03Å; A81-Y111 WeakPolarHBondContact CB-OH 3.4Å; F92-Y111 HydrophobicContact CB-CD1 3.63Å; F92-Y111 HydrophobicContact CB-CE1 3.9Å; F92-Y111 HydrophobicContact CB-CG 4.29Å; F92-Y111 WeakPolarHBondContact O-CA 3.41Å; A105-Y111 HydrophobicContact CB-CD2 4.1Å; A105-Y111 HydrophobicContact CB-CE2 3.85Å; Y111-D113 VanDerWaalsContact C-N 3.33Å; Y111-L114 HydrophobicContact CD1-CD2 3.67Å; Y111-L114 HydrophobicContact CD2-CD2 4.01Å; Y111-L114 HydrophobicContact CE1-CD2 4.29Å; Y111-L114 HydrophobicContact CG-CD2 3.51Å; Y111-L114 HydrophobicContact CG-CG 4.11Å
112Q98.2Very high95.7Very high112 Ų11256.7 Ų56.752%0.52330%0.299SS..EExtended strand (participates in β ladder)trans-76.9-24.8172.2-69.278.713.200111.9E90 H91 F92E90-Q112 PolarHBondContact O-NE2 3.38Å; H91-Q112 PolarHBondContact ND1-NE2 3.14Å; F92-Q112 PolarHBondContact O-N 2.94Å; F92-Q112 PolarHBondContact O-OE1 3.38Å
113D98.3Very high95.2Very high63 Ų6361.9 Ų61.934%0.33733%0.332SS..EExtended strand (participates in β ladder)trans-149.6141.8177.7-168.910.9000110V93 G94 Y111 K115V93-D113 WeakPolarHBondContact CA-O 3.37Å; V93-D113 HydrophobicContact CG1-CB 4.18Å; V93-D113 HydrophobicContact CG2-CB 4.21Å; G94-D113 PolarHBondContact N-O 3.1Å; Y111-D113 VanDerWaalsContact C-N 3.33Å; D113-K115 WeakPolarHBondContact OD2-CE 3.38Å; D113-K115 IonicContact OD2-NZ 2.68Å
114L98.6Very high95Very high27 Ų2761.9 Ų61.914%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-136.4125.6-179.4-74.5174.5000108.5G94 L102 A105 R106 Y111G94-L114 WeakPolarHBondContact O-CA 3.09Å; L102-L114 HydrophobicContact CD2-CB 4.27Å; L102-L114 HydrophobicContact CD2-CD2 3.93Å; A105-L114 HydrophobicContact CB-CD1 4.24Å; A105-L114 HydrophobicContact CB-CD2 4.19Å; R106-L114 HydrophobicContact CB-CD1 3.65Å; R106-L114 HydrophobicContact CG-CD1 4.18Å; Y111-L114 HydrophobicContact CD1-CD2 3.67Å; Y111-L114 HydrophobicContact CD2-CD2 4.01Å; Y111-L114 HydrophobicContact CE1-CD2 4.29Å; Y111-L114 HydrophobicContact CG-CD2 3.51Å; Y111-L114 HydrophobicContact CG-CG 4.11Å
115K97.9Very high94.9Very high55 Ų5562.1 Ų62.124%0.23933%0.333CS..EExtended strand (participates in β ladder)trans-127.1130-174.7-54.5-172.9-176.8-163.10111.4G94 V95 D96 D113 P125 V126G94-K115 PolarHBondContact O-N 3.17Å; V95-K115 WeakPolarHBondContact CA-O 3.33Å; V95-K115 HydrophobicContact CG2-CB 4.41Å; D96-K115 PolarHBondContact N-O 2.95Å; D113-K115 WeakPolarHBondContact OD2-CE 3.38Å; D113-K115 IonicContact OD2-NZ 2.68Å; K115-P125 HydrophobicContact CB-CG 3.73Å; K115-P125 HydrophobicContact CD-CB 4.01Å; K115-P125 HydrophobicContact CD-CG 3.81Å; K115-P125 WeakPolarHBondContact CD-O 3.33Å; K115-P125 WeakPolarHBondContact CE-O 3.35Å; K115-P125 HydrophobicContact CG-CG 4.43Å; K115-P125 PolarHBondContact NZ-O 2.82Å; K115-V126 HydrophobicContact CD-CG1 4.34Å
116Q96.9Very high94.7Very high113 Ų11363.3 Ų63.353%0.52834%0.34SS..EExtended strand (participates in β ladder)trans-75.4128.9170.3-163.5-178.114.700110D96 G97 L102D96-Q116 CarbonylContact O-C 3.55Å; D96-Q116 VanDerWaalsContact O-CA 3.24Å; D96-Q116 WeakPolarHBondContact O-CA 3.28Å; G97-Q116 PolarHBondContact O-NE2 2.85Å; L102-Q116 HydrophobicContact CD1-CB 3.96Å; L102-Q116 HydrophobicContact CD1-CG 4.42Å
117C94.9Very high94.4Very high3 Ų363.9 Ų63.92%0.0235%0.348CS..  trans-156.5131.9175-179.20000110.7V95 D96 G97 L119 P125V95-C117 HydrophobicContact CG1-CB 3.5Å; D96-C117 CarbonylContact C-O 3.57Å; D96-C117 PolarHBondContact O-N 2.85Å; G97-C117 WeakPolarHBondContact CA-O 3.47Å; G97-C117 PolarHBondContact N-O 3.36Å; C117-L119 PolarHBondContact O-N 2.86Å; C117-P125 HydrophobicContact CB-CG 3.88Å
118M92.9Very high94.2Very high44 Ų4459 Ų5922%0.21734%0.338CS..  trans-85102.7170.8-171.468.366.800110.2I28 G120 K121 E122I28-M118 HydrophobicContact CD1-CE 4.07Å; I28-M118 HydrophobicContact CD1-SD 4.45Å; I28-M118 HydrophobicContact CG1-CE 3.39Å; I28-M118 HydrophobicContact CG1-SD 4.24Å; M118-G120 PolarHBondContact O-N 3.44Å; M118-K121 HydrophobicContact CB-CB 4.2Å; M118-K121 HydrophobicContact CB-CD 4.48Å; M118-K121 HydrophobicContact CB-CG 4.43Å; M118-K121 HydrophobicContact CG-CB 4.07Å; M118-K121 HydrophobicContact CG-CD 3.76Å; M118-K121 HydrophobicContact CG-CG 3.76Å; M118-K121 PolarHBondContact O-N 2.79Å; M118-K121 VanDerWaalsContact O-N 3.1Å; M118-E122 PolarHBondContact O-N 3.09Å
119L92.4Very high94.3Very high20 Ų2059 Ų5911%0.10534%0.342CS..BIsolated β-bridgetrans-56.4131.2-178.5-57.8178.8000111.6V73 A74 V95 C117 K121 L124 I136 V145V73-L119 HydrophobicContact CG1-CD1 3.63Å; V73-L119 HydrophobicContact CG1-CD2 3.74Å; V73-L119 HydrophobicContact CG1-CG 4.35Å; A74-L119 HydrophobicContact CB-CD1 3.96Å; V95-L119 HydrophobicContact CG1-CD2 4.36Å; C117-L119 PolarHBondContact O-N 2.86Å; L119-K121 PolarHBondContact O-N 2.87Å; L119-L124 HydrophobicContact CD2-CD2 3.38Å; L119-I136 HydrophobicContact CD1-CD1 4.36Å; L119-V145 HydrophobicContact CB-CG1 4.07Å; L119-V145 HydrophobicContact CB-CG2 4.24Å; L119-V145 HydrophobicContact CD1-CG1 4.23Å; L119-V145 HydrophobicContact CD1-CG2 3.88Å
120G87.4Confident94.2Very high40 Ų4059.5 Ų59.541%0.41232%0.323SS..THydrogen-bonded Turntrans81.3-10.3-179.900000115.7M118M118-G120 PolarHBondContact O-N 3.44Å
121K86.3Confident94.2Very high111 Ų11158 Ų5848%0.48332%0.316SS..THydrogen-bonded Turntrans-96.1-35.2166-61.8-161.5-173.1-171.80111.4S24 E25 M118 L119S24-K121 WeakPolarHBondContact OG-CE 3.44Å; E25-K121 VanDerWaalsContact CD-NZ 3.35Å; E25-K121 IonicContact OE1-NZ 3.26Å; E25-K121 PolarHBondContact OE1-NZ 3.31Å; E25-K121 IonicContact OE2-NZ 2.9Å; E25-K121 PolarHBondContact OE2-NZ 3.19Å; M118-K121 HydrophobicContact CB-CB 4.2Å; M118-K121 HydrophobicContact CB-CD 4.48Å; M118-K121 HydrophobicContact CB-CG 4.43Å; M118-K121 HydrophobicContact CG-CB 4.07Å; M118-K121 HydrophobicContact CG-CD 3.76Å; M118-K121 HydrophobicContact CG-CG 3.76Å; M118-K121 PolarHBondContact O-N 2.79Å; M118-K121 VanDerWaalsContact O-N 3.1Å; L119-K121 PolarHBondContact O-N 2.87Å
122E85Confident94.2Very high110 Ų11058.7 Ų58.751%0.51432%0.321SS..BIsolated β-bridgetrans-127.1149.7-176.5-64.1170165.500110M118M118-E122 PolarHBondContact O-N 3.09Å
123P88.1Confident94.3Very high108 Ų10853.3 Ų53.370%0.70130%0.296SS*.  trans-59.9148.9168.7-19.131.4000110.9
124L93.8Very high94.3Very high21 Ų2150.3 Ų50.311%0.1128%0.28CS..  trans-55.3130.1173.6-73.8177000110.4V73 V95 L119 V126 D152 L153V73-L124 HydrophobicContact CG1-CD2 4.06Å; V73-L124 HydrophobicContact CG2-CD1 4.49Å; V95-L124 HydrophobicContact CG1-CD2 4.24Å; L119-L124 HydrophobicContact CD2-CD2 3.38Å; L124-V126 HydrophobicContact CB-CG2 4.06Å; L124-V126 PolarHBondContact O-N 3.22Å; L124-D152 HydrophobicContact CD1-CB 3.67Å; L124-D152 HydrophobicContact CG-CB 3.91Å; L124-L153 HydrophobicContact CD1-CD2 4.33Å
125P95.3Very high94.3Very high47 Ų4749 Ų4931%0.30527%0.273SS..SBendtrans-80.944.2-172.934.9-39.5000111.8V95 K115 C117V95-P125 HydrophobicContact CG1-CG 4.45Å; V95-P125 HydrophobicContact CG2-CG 4.39Å; K115-P125 HydrophobicContact CB-CG 3.73Å; K115-P125 HydrophobicContact CD-CB 4.01Å; K115-P125 HydrophobicContact CD-CG 3.81Å; K115-P125 WeakPolarHBondContact CD-O 3.33Å; K115-P125 WeakPolarHBondContact CE-O 3.35Å; K115-P125 HydrophobicContact CG-CG 4.43Å; K115-P125 PolarHBondContact NZ-O 2.82Å; C117-P125 HydrophobicContact CB-CG 3.88Å
126V94.5Very high94.4Very high24 Ų2446.4 Ų46.415%0.14526%0.262CS..SBendtrans-135.6153.8-177-59.50000110.2L71 V93 V95 K115 L124 F131 A156L71-V126 HydrophobicContact CD1-CG1 4.07Å; L71-V126 HydrophobicContact CD2-CG2 3.99Å; V93-V126 HydrophobicContact CG1-CG1 4.44Å; V95-V126 HydrophobicContact CG2-CG1 4.41Å; K115-V126 HydrophobicContact CD-CG1 4.34Å; L124-V126 HydrophobicContact CB-CG2 4.06Å; L124-V126 PolarHBondContact O-N 3.22Å; V126-F131 HydrophobicContact CB-CE2 3.77Å; V126-F131 HydrophobicContact CB-CZ 4.08Å; V126-F131 HydrophobicContact CG1-CE2 4.22Å; V126-F131 HydrophobicContact CG1-CZ 4.06Å; V126-F131 HydrophobicContact CG2-CE2 3.76Å; V126-F131 HydrophobicContact CG2-CZ 4.44Å; V126-A156 HydrophobicContact CG2-CB 4.13Å
127Q92.3Very high94.4Very high139 Ų13941.8 Ų41.865%0.6524%0.241SC*.  trans-69.9134.6174.5-173.4-177.8-13.200110.1
128G94.8Very high94.4Very high45 Ų4542.7 Ų42.746%0.46425%0.251SS..THydrogen-bonded Turntrans-62.9152.6173.400000112.9R130 N155G128-R130 VanDerWaalsContact C-N 3.33Å; G128-R130 PolarHBondContact O-N 2.91Å; G128-N155 CarbonylContact C-O 3.55Å; G128-N155 WeakPolarHBondContact CA-O 3.17Å
129G96.9Very high94.6Very high33 Ų3341 Ų4134%0.3424%0.244SC..THydrogen-bonded Turntrans68.925.1173.200000114.9N155 A156 T157 K158G129-N155 PolarHBondContact N-O 3Å; G129-A156 PolarHBondContact N-O 3.21Å; G129-T157 WeakPolarHBondContact CA-O 3.4Å; G129-K158 WeakPolarHBondContact O-CG 3.45Å
130R97.2Very high94.8Very high79 Ų7940.1 Ų40.130%0.29824%0.24SC..  trans-110.8-24.9-169.1-163.3179.271.5158.57.2114.6L69 G128 A156 K158L69-R130 HydrophobicContact CD2-CG 4.18Å; G128-R130 VanDerWaalsContact C-N 3.33Å; G128-R130 PolarHBondContact O-N 2.91Å; R130-A156 PolarHBondContact N-O 3.03Å; R130-K158 WeakPolarHBondContact O-CE 3.34Å; R130-K158 PolarHBondContact O-NZ 2.84Å
131F98.7Very high95.1Very high0 Ų038.9 Ų38.90%022%0.224CC..EExtended strand (participates in β ladder)trans-100.6135.9-169.8-62.5-86000112.2L69 L71 V93 V126 V133 V134 A156 K158L69-F131 HydrophobicContact CB-CD1 4.47Å; L69-F131 HydrophobicContact CD2-CD1 3.83Å; L69-F131 HydrophobicContact CD2-CE1 3.87Å; L69-F131 HydrophobicContact CG-CD1 3.65Å; L69-F131 HydrophobicContact CG-CE1 3.89Å; L71-F131 HydrophobicContact CB-CB 4.21Å; L71-F131 HydrophobicContact CB-CD1 3.51Å; L71-F131 HydrophobicContact CB-CD2 3.97Å; L71-F131 HydrophobicContact CB-CE1 3.72Å; L71-F131 HydrophobicContact CB-CE2 4.16Å; L71-F131 HydrophobicContact CB-CG 3.63Å; L71-F131 HydrophobicContact CB-CZ 4.01Å; L71-F131 HydrophobicContact CD1-CE1 4.11Å; L71-F131 HydrophobicContact CD1-CE2 4.26Å; L71-F131 HydrophobicContact CD1-CZ 3.81Å; L71-F131 HydrophobicContact CD2-CD2 4.03Å; L71-F131 HydrophobicContact CD2-CE2 3.92Å; L71-F131 HydrophobicContact CD2-CZ 4.3Å; L71-F131 HydrophobicContact CG-CE1 4.41Å; L71-F131 HydrophobicContact CG-CE2 4.34Å; L71-F131 HydrophobicContact CG-CZ 4.25Å; V93-F131 HydrophobicContact CB-CE1 3.82Å; V93-F131 HydrophobicContact CB-CZ 4.2Å; V93-F131 HydrophobicContact CG1-CE1 4.47Å; V93-F131 HydrophobicContact CG1-CZ 4.35Å; V93-F131 HydrophobicContact CG2-CE1 3.81Å; V93-F131 HydrophobicContact CG2-CZ 4.31Å; V126-F131 HydrophobicContact CB-CE2 3.77Å; V126-F131 HydrophobicContact CB-CZ 4.08Å; V126-F131 HydrophobicContact CG1-CE2 4.22Å; V126-F131 HydrophobicContact CG1-CZ 4.06Å; V126-F131 HydrophobicContact CG2-CE2 3.76Å; V126-F131 HydrophobicContact CG2-CZ 4.44Å; F131-V133 VanDerWaalsContact C-N 3.33Å; F131-V134 HydrophobicContact CB-CG2 3.76Å; F131-V134 HydrophobicContact CG-CG2 4.45Å; F131-A156 HydrophobicContact CD2-CB 4.15Å; F131-A156 WeakPolarHBondContact CD2-O 3.4Å; F131-A156 PolarHBondContact N-O 3.49Å; F131-K158 PolarHBondContact O-N 2.65Å
132D98.8Very high95.4Very high38 Ų3837.3 Ų37.320%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-75.5-30.6175.8-55.8-74.3000110.6F61 A68 L69 K158 G161 F162F61-D132 HydrophobicContact CE2-CB 4.19Å; F61-D132 HydrophobicContact CZ-CB 4.23Å; A68-D132 HydrophobicContact CB-CB 4.23Å; L69-D132 PolarHBondContact N-OD2 2.99Å; L69-D132 PolarHBondContact O-N 2.86Å; D132-K158 VanDerWaalsContact OD1-CD 3.25Å; D132-K158 WeakPolarHBondContact OD1-CD 3.49Å; D132-K158 IonicContact OD1-NZ 2.75Å; D132-K158 PolarHBondContact OD1-NZ 3.3Å; D132-K158 IonicContact OD2-NZ 3.58Å; D132-K158 PolarHBondContact OD2-NZ 3.48Å; D132-G161 CarbonylContact O-C 3.39Å; D132-G161 VanDerWaalsContact O-CA 3.31Å; D132-G161 WeakPolarHBondContact O-CA 3.48Å; D132-F162 PolarHBondContact O-N 2.77Å
133V98.9Very high95.4Very high0 Ų034.8 Ų34.80%023%0.228CC..EExtended strand (participates in β ladder)trans-135.7131.7173.8-177.80000109.2I57 F61 L69 V70 L71 M84 F89 F131 F162I57-V133 HydrophobicContact CD1-CG1 3.94Å; I57-V133 HydrophobicContact CG1-CG1 4.31Å; I57-V133 HydrophobicContact CG2-CG1 3.98Å; I57-V133 HydrophobicContact CG2-CG2 4.06Å; F61-V133 HydrophobicContact CD2-CG2 3.78Å; F61-V133 HydrophobicContact CE2-CG2 3.67Å; L69-V133 PolarHBondContact O-N 3.3Å; V70-V133 CarbonylContact C-O 3.59Å; V70-V133 WeakPolarHBondContact CA-O 3.43Å; V70-V133 HydrophobicContact CG1-CB 4.3Å; V70-V133 HydrophobicContact CG1-CG1 4.33Å; V70-V133 HydrophobicContact CG2-CB 4.25Å; L71-V133 PolarHBondContact N-O 2.86Å; M84-V133 HydrophobicContact CE-CG1 4.33Å; F89-V133 HydrophobicContact CE1-CG2 4.23Å; F131-V133 VanDerWaalsContact C-N 3.33Å; V133-F162 CarbonylContact C-O 3.6Å; V133-F162 WeakPolarHBondContact CA-O 3.14Å; V133-F162 HydrophobicContact CG2-CB 4.48Å
134V98.9Very high95.4Very high0 Ų031.9 Ų31.90%021%0.206CC..EExtended strand (participates in β ladder)trans-116.6128.6166.2179.30000107.9L71 V73 F131 L153 A156 T157 F162 I163 C164L71-V134 HydrophobicContact CB-CG1 4.39Å; L71-V134 HydrophobicContact CB-CG2 4.09Å; L71-V134 HydrophobicContact CD2-CG1 4.14Å; L71-V134 HydrophobicContact CD2-CG2 4.28Å; L71-V134 WeakPolarHBondContact O-CA 3.37Å; V73-V134 HydrophobicContact CG2-CG1 4.11Å; F131-V134 HydrophobicContact CB-CG2 3.76Å; F131-V134 HydrophobicContact CG-CG2 4.45Å; V134-L153 HydrophobicContact CG1-CB 3.91Å; V134-L153 HydrophobicContact CG1-CD2 3.75Å; V134-L153 HydrophobicContact CG1-CG 4.34Å; V134-A156 HydrophobicContact CG2-CB 4.13Å; V134-T157 HydrophobicContact CG2-CG2 4.43Å; V134-T157 WeakPolarHBondContact CG2-OG1 3.4Å; V134-F162 PolarHBondContact N-O 2.93Å; V134-I163 CarbonylContact O-C 3.56Å; V134-I163 VanDerWaalsContact O-CA 3.29Å; V134-I163 WeakPolarHBondContact O-CA 3.44Å; V134-C164 PolarHBondContact O-N 3.01Å
135V98.9Very high95.3Very high0 Ų031.5 Ų31.50%021%0.205CC..EExtended strand (participates in β ladder)trans-131.4138.7-176.661.80000111A53 I57 V70 L71 D72 V73 V80 M84 V137 C164A53-V135 HydrophobicContact CB-CG2 4.47Å; I57-V135 HydrophobicContact CD1-CB 4.17Å; I57-V135 HydrophobicContact CD1-CG2 4.02Å; V70-V135 HydrophobicContact CG1-CG1 4.08Å; L71-V135 PolarHBondContact O-N 3.13Å; D72-V135 HydrophobicContact CB-CG1 4.3Å; V73-V135 PolarHBondContact N-O 3.33Å; V80-V135 HydrophobicContact CG1-CG1 3.99Å; V80-V135 HydrophobicContact CG1-CG2 4.01Å; M84-V135 HydrophobicContact SD-CG1 4.44Å; V135-V137 HydrophobicContact CG2-CG2 3.8Å; V135-C164 VanDerWaalsContact CA-O 3.31Å; V135-C164 WeakPolarHBondContact CA-O 3.49Å; V135-C164 HydrophobicContact CB-CB 4.39Å; V135-C164 HydrophobicContact CG2-CB 4.06Å
136I98.8Very high95.3Very high0 Ų031.7 Ų31.70%021%0.206CC..EExtended strand (participates in β ladder)trans-134.9119.6172-176.8164.6000109.6V73 A74 L119 A139 L140 L153 C164 M165 T166V73-I136 HydrophobicContact CB-CB 4.29Å; V73-I136 HydrophobicContact CG1-CD1 4.13Å; V73-I136 WeakPolarHBondContact O-CA 3.4Å; V73-I136 WeakPolarHBondContact O-CG1 3.31Å; A74-I136 HydrophobicContact CB-CG1 4.49Å; L119-I136 HydrophobicContact CD1-CD1 4.36Å; I136-A139 HydrophobicContact CD1-CB 4.05Å; I136-A139 HydrophobicContact CG1-CB 3.96Å; I136-L140 HydrophobicContact CD1-CD2 4.2Å; I136-L140 HydrophobicContact CD1-CG 4.02Å; I136-L140 HydrophobicContact CG1-CG 4.36Å; I136-L140 HydrophobicContact CG2-CD1 3.72Å; I136-L140 HydrophobicContact CG2-CG 4.16Å; I136-L153 HydrophobicContact CB-CD1 4.28Å; I136-L153 HydrophobicContact CG2-CD1 3.5Å; I136-L153 VanDerWaalsContact CG2-CD1 3.5Å; I136-C164 PolarHBondContact N-O 3.5Å; I136-M165 HydrophobicContact CG2-CB 4.11Å; I136-M165 HydrophobicContact CG2-CG 3.54Å; I136-T166 PolarHBondContact O-N 3.38Å
137V98.6Very high95.4Very high15 Ų1532.3 Ų32.39%0.09121%0.208CC..  trans-122.9131.6-175.2178.50000110.7A49 P50 A53 V80 V135 A139 T166A49-V137 HydrophobicContact CB-CG1 3.57Å; P50-V137 HydrophobicContact CG-CG1 4.13Å; A53-V137 HydrophobicContact CB-CG2 3.66Å; V80-V137 HydrophobicContact CG1-CG2 4.47Å; V80-V137 HydrophobicContact CG2-CB 3.6Å; V80-V137 HydrophobicContact CG2-CG1 4.13Å; V80-V137 HydrophobicContact CG2-CG2 3.5Å; V135-V137 HydrophobicContact CG2-CG2 3.8Å; V137-A139 PolarHBondContact O-N 3.25Å; V137-A139 VanDerWaalsContact O-N 3.1Å; V137-T166 WeakPolarHBondContact CA-OG1 3.25Å; V137-T166 HydrophobicContact CG2-CG2 4.13Å
138G95.1Very high95.5Very high22 Ų2229 Ų2923%0.22720%0.201CC..SBendtrans73.7-4.7173.800000116.8Y47 T166Y47-G138 WeakPolarHBondContact OH-CA 3.28Å; Y47-G138 PolarHBondContact OH-N 3.09Å; G138-T166 PolarHBondContact N-OG1 3.21Å; G138-T166 VanDerWaalsContact N-OG1 3.14Å
139A95.9Very high95.6Very high10 Ų1026.9 Ų26.98%0.08318%0.179CC..  trans-102.5-26.8-174.500000114.9A74 I136 V137 S141 N144 V145A74-A139 HydrophobicContact CB-CB 3.43Å; A74-A139 VanDerWaalsContact CB-CB 3.43Å; I136-A139 HydrophobicContact CD1-CB 4.05Å; I136-A139 HydrophobicContact CG1-CB 3.96Å; V137-A139 PolarHBondContact O-N 3.25Å; V137-A139 VanDerWaalsContact O-N 3.1Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.33Å; A139-N144 WeakPolarHBondContact O-CB 3.41Å; A139-V145 HydrophobicContact CB-CG2 3.87Å; A139-V145 WeakPolarHBondContact O-CB 3.43Å; A139-V145 PolarHBondContact O-N 2.74Å
140L96.9Very high95.6Very high1 Ų125.3 Ų25.31%0.00516%0.162CC..SBendtrans-75.884.6176.6-68.8172.9000110.1I136 V145 M165 T167 Y176 L180I136-L140 HydrophobicContact CD1-CD2 4.2Å; I136-L140 HydrophobicContact CD1-CG 4.02Å; I136-L140 HydrophobicContact CG1-CG 4.36Å; I136-L140 HydrophobicContact CG2-CD1 3.72Å; I136-L140 HydrophobicContact CG2-CG 4.16Å; L140-V145 HydrophobicContact CD2-CG1 4.23Å; L140-M165 HydrophobicContact CD1-CB 3.79Å; L140-M165 HydrophobicContact CD1-CG 3.82Å; L140-M165 HydrophobicContact CD1-SD 4.12Å; L140-T167 WeakPolarHBondContact O-CB 3.45Å; L140-T167 PolarHBondContact O-OG1 2.93Å; L140-Y176 WeakPolarHBondContact CA-OH 3.41Å; L140-Y176 HydrophobicContact CB-CE1 4.19Å; L140-Y176 WeakPolarHBondContact CD2-OH 3.09Å; L140-Y176 WeakPolarHBondContact O-CE1 3.25Å; L140-L180 HydrophobicContact CB-CD2 4.31Å; L140-L180 HydrophobicContact CD1-CD1 4.46Å; L140-L180 HydrophobicContact CD1-CD2 4.3Å
141S94.3Very high95.6Very high13 Ų1325.1 Ų25.19%0.09116%0.161CC..SBendtrans-155167.2174.8690000111.3A139 G143 N144 N173 Y176A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.33Å; S141-G143 PolarHBondContact O-N 3.1Å; S141-N144 PolarHBondContact O-N 3.18Å; S141-N144 PolarHBondContact OG-ND2 3.23Å; S141-N173 VanDerWaalsContact CA-OD1 3.24Å; S141-N173 WeakPolarHBondContact CA-OD1 3.28Å; S141-N173 VanDerWaalsContact CB-OD1 3.31Å; S141-N173 WeakPolarHBondContact CB-OD1 3.36Å; S141-Y176 VanDerWaalsContact CA-CE1 3.46Å; S141-Y176 VanDerWaalsContact N-CE1 3.35Å
142V91.2Very high95.5Very high78 Ų7827.2 Ų27.247%0.47317%0.173SC..THydrogen-bonded Turntrans-49128.2179.3640000112N144 N173 Y176V142-N144 PolarHBondContact O-N 2.9Å; V142-N144 VanDerWaalsContact O-N 3.1Å; V142-N173 PolarHBondContact N-OD1 2.69Å; V142-Y176 HydrophobicContact CB-CG 4.44Å
143G86Confident95.5Very high58 Ų5825.4 Ų25.460%0.59816%0.163SC*.THydrogen-bonded Turntrans68.7-3.5-179.400000116.2K27 S141K27-G143 VanDerWaalsContact CD-O 3.25Å; K27-G143 WeakPolarHBondContact CD-O 3.35Å; K27-G143 WeakPolarHBondContact CE-O 3.48Å; K27-G143 PolarHBondContact NZ-O 2.99Å; S141-G143 PolarHBondContact O-N 3.1Å
144N87.9Confident95.5Very high46 Ų4625.7 Ų25.725%0.24617%0.165CC..THydrogen-bonded Turntrans-90.3-70.2-179.8-80.5-24.9000110.9K27 A139 S141 V142K27-N144 WeakPolarHBondContact CD-OD1 3.32Å; K27-N144 PolarHBondContact NZ-OD1 3.43Å; A139-N144 WeakPolarHBondContact O-CB 3.41Å; S141-N144 PolarHBondContact O-N 3.18Å; S141-N144 PolarHBondContact OG-ND2 3.23Å; V142-N144 PolarHBondContact O-N 2.9Å; V142-N144 VanDerWaalsContact O-N 3.1Å
145V91.9Very high95.4Very high13 Ų1330.3 Ų30.38%0.07919%0.19CC..SBendtrans-127.6133.7-176175.10000109L119 A139 L140 T149 Y176L119-V145 HydrophobicContact CB-CG1 4.07Å; L119-V145 HydrophobicContact CB-CG2 4.24Å; L119-V145 HydrophobicContact CD1-CG1 4.23Å; L119-V145 HydrophobicContact CD1-CG2 3.88Å; A139-V145 HydrophobicContact CB-CG2 3.87Å; A139-V145 WeakPolarHBondContact O-CB 3.43Å; A139-V145 PolarHBondContact O-N 2.74Å; L140-V145 HydrophobicContact CD2-CG1 4.23Å; V145-T149 HydrophobicContact CG1-CG2 3.78Å; V145-T149 WeakPolarHBondContact CG1-OG1 3.16Å; V145-Y176 VanDerWaalsContact O-CE2 3.28Å; V145-Y176 WeakPolarHBondContact O-CE2 3.47Å; V145-Y176 PolarHBondContact O-OH 3.21Å
146P94Very high95.4Very high51 Ų5130.5 Ų30.533%0.33119%0.191SC..  trans-69.1148.9178.227.8-32.7000111.2S148 T149P146-S148 PolarHBondContact O-N 2.88Å; P146-T149 VanDerWaalsContact O-CB 3.24Å; P146-T149 WeakPolarHBondContact O-CB 3.46Å; P146-T149 PolarHBondContact O-N 2.91Å; P146-T149 PolarHBondContact O-OG1 3.25Å
147I96.9Very high95.4Very high38 Ų3830.5 Ų30.520%0.19519%0.191CC..THydrogen-bonded Turntrans-59.2-30.8-179-66.5162.6000111.5T149 T150 Y176 A179 L180 E183I147-T149 PolarHBondContact O-N 3.4Å; I147-T150 WeakPolarHBondContact O-CG2 3.12Å; I147-T150 PolarHBondContact O-N 2.93Å; I147-T150 PolarHBondContact O-OG1 3.09Å; I147-Y176 HydrophobicContact CD1-CD2 4.35Å; I147-Y176 HydrophobicContact CD1-CE2 4.3Å; I147-Y176 HydrophobicContact CG1-CD2 4.29Å; I147-Y176 HydrophobicContact CG1-CE1 4.39Å; I147-Y176 HydrophobicContact CG1-CE2 3.75Å; I147-A179 HydrophobicContact CD1-CB 3.38Å; I147-L180 HydrophobicContact CG1-CB 4.39Å; I147-L180 HydrophobicContact CG2-CD1 4.25Å; I147-E183 HydrophobicContact CG2-CB 3.52Å; I147-E183 HydrophobicContact CG2-CG 3.78Å
148S94.6Very high95.4Very high70 Ų7033 Ų3349%0.4920%0.2SC..THydrogen-bonded Turntrans-55.1-23176.455.90000114P146 T150 R151P146-S148 PolarHBondContact O-N 2.88Å; S148-T150 PolarHBondContact O-N 3.39Å; S148-T150 VanDerWaalsContact O-N 3.16Å; S148-R151 PolarHBondContact O-N 3.39Å; S148-R151 VanDerWaalsContact O-N 3.11Å
149T96.3Very high95.5Very high0 Ų036.4 Ų36.40%022%0.219CC..Hα-helixtrans-56.6-28.5175.2-51.20000112.3V145 P146 I147 R151 D152 L153V145-T149 HydrophobicContact CG1-CG2 3.78Å; V145-T149 WeakPolarHBondContact CG1-OG1 3.16Å; P146-T149 VanDerWaalsContact O-CB 3.24Å; P146-T149 WeakPolarHBondContact O-CB 3.46Å; P146-T149 PolarHBondContact O-N 2.91Å; P146-T149 PolarHBondContact O-OG1 3.25Å; I147-T149 PolarHBondContact O-N 3.4Å; T149-R151 PolarHBondContact O-N 3.22Å; T149-D152 WeakPolarHBondContact O-CB 3.42Å; T149-D152 PolarHBondContact O-N 3.2Å; T149-L153 HydrophobicContact CG2-CD2 4.47Å; T149-L153 WeakPolarHBondContact O-CG 3.46Å; T149-L153 PolarHBondContact O-N 3.1Å
150T97.8Very high95.6Very high0 Ų037.4 Ų37.40%023%0.23CC..Hα-helixtrans-57.2-33.1177.757.90000112.7I147 S148 L153 C154 M165 L180 L184 M187I147-T150 WeakPolarHBondContact O-CG2 3.12Å; I147-T150 PolarHBondContact O-N 2.93Å; I147-T150 PolarHBondContact O-OG1 3.09Å; S148-T150 PolarHBondContact O-N 3.39Å; S148-T150 VanDerWaalsContact O-N 3.16Å; T150-L153 PolarHBondContact O-N 3.08Å; T150-C154 PolarHBondContact O-N 2.97Å; T150-C154 VanDerWaalsContact O-N 3.08Å; T150-M165 HydrophobicContact CG2-SD 3.91Å; T150-L180 HydrophobicContact CG2-CD1 3.67Å; T150-L184 HydrophobicContact CG2-CD2 3.96Å; T150-M187 PolarHBondContact OG1-SD 2.77Å; T150-M187 VanDerWaalsContact OG1-SD 3.38Å
151R97.3Very high95.7Very high74 Ų7437.6 Ų37.628%0.27923%0.232SC..Hα-helixtrans-70.4-37.2175.3-65.6-172.1176.1-104.8-3.8112S148 T149 L153 C154 N155 E183 M187 E190S148-R151 PolarHBondContact O-N 3.39Å; S148-R151 VanDerWaalsContact O-N 3.11Å; T149-R151 PolarHBondContact O-N 3.22Å; R151-L153 VanDerWaalsContact C-N 3.34Å; R151-C154 PolarHBondContact O-N 3.35Å; R151-N155 WeakPolarHBondContact O-CB 3.28Å; R151-N155 PolarHBondContact O-N 3.03Å; R151-N155 PolarHBondContact O-ND2 3.39Å; R151-E183 IonicContact CZ-OE1 2.68Å; R151-E183 IonicContact NE-OE1 3.05Å; R151-E183 PolarHBondContact NE-OE1 3.13Å; R151-E183 IonicContact NH2-OE1 2.61Å; R151-E183 PolarHBondContact NH2-OE1 3.32Å; R151-M187 HydrophobicContact CB-CE 4.46Å; R151-M187 HydrophobicContact CG-CE 3.9Å; R151-M187 HydrophobicContact CG-SD 3.82Å; R151-E190 IonicContact CZ-OE1 2.81Å; R151-E190 IonicContact CZ-OE2 3.3Å; R151-E190 VanDerWaalsContact CZ-OE2 3.26Å; R151-E190 IonicContact NH1-OE1 3.26Å; R151-E190 IonicContact NH1-OE2 2.85Å; R151-E190 PolarHBondContact NH1-OE2 2.8Å; R151-E190 IonicContact NH2-OE1 3.22Å; R151-E190 PolarHBondContact NH2-OE1 2.95Å; R151-E190 IonicContact NH2-OE2 3.93Å; R151-E190 PolarHBondContact NH2-OE2 3.03Å
152D97.1Very high95.9Very high45 Ų4538 Ų3824%0.24123%0.233CC..Hα-helixtrans-65.9-38.9174.6-62.4-38.5000111.6L124 T149 N155 A156L124-D152 HydrophobicContact CD1-CB 3.67Å; L124-D152 HydrophobicContact CG-CB 3.91Å; T149-D152 WeakPolarHBondContact O-CB 3.42Å; T149-D152 PolarHBondContact O-N 3.2Å; D152-N155 PolarHBondContact O-N 2.73Å; D152-A156 PolarHBondContact O-N 3.32Å
153L98.4Very high96.3Very high0 Ų034.3 Ų34.30%021%0.21CC..Hα-helixtrans-59.2-49.7172.9-54178000110.4V73 L124 V134 I136 T149 T150 R151 N155 A156 T157 I163 M165V73-L153 HydrophobicContact CB-CD2 3.91Å; V73-L153 HydrophobicContact CG1-CD2 3.95Å; V73-L153 HydrophobicContact CG2-CD2 3.62Å; L124-L153 HydrophobicContact CD1-CD2 4.33Å; V134-L153 HydrophobicContact CG1-CB 3.91Å; V134-L153 HydrophobicContact CG1-CD2 3.75Å; V134-L153 HydrophobicContact CG1-CG 4.34Å; I136-L153 HydrophobicContact CB-CD1 4.28Å; I136-L153 HydrophobicContact CG2-CD1 3.5Å; I136-L153 VanDerWaalsContact CG2-CD1 3.5Å; T149-L153 HydrophobicContact CG2-CD2 4.47Å; T149-L153 WeakPolarHBondContact O-CG 3.46Å; T149-L153 PolarHBondContact O-N 3.1Å; T150-L153 PolarHBondContact O-N 3.08Å; R151-L153 VanDerWaalsContact C-N 3.34Å; L153-N155 VanDerWaalsContact C-N 3.32Å; L153-N155 PolarHBondContact O-N 3.3Å; L153-A156 PolarHBondContact O-N 3.25Å; L153-T157 PolarHBondContact O-N 2.89Å; L153-T157 PolarHBondContact O-OG1 3.38Å; L153-I163 HydrophobicContact CB-CG2 4.1Å; L153-I163 HydrophobicContact CD1-CG2 4.33Å; L153-M165 HydrophobicContact CD1-CG 3.98Å; L153-M165 HydrophobicContact CD1-SD 4.02Å
154C98.4Very high96.9Very high5 Ų531.5 Ų31.53%0.03418%0.182CC..Hα-helixtrans-59-42.7176.6-171.80000111.8T150 R151 A156 T157 M187 W193 K225T150-C154 PolarHBondContact O-N 2.97Å; T150-C154 VanDerWaalsContact O-N 3.08Å; R151-C154 PolarHBondContact O-N 3.35Å; C154-A156 VanDerWaalsContact C-N 3.33Å; C154-A156 PolarHBondContact O-N 3.39Å; C154-T157 PolarHBondContact O-N 2.88Å; C154-M187 HydrophobicContact CB-CE 3.75Å; C154-W193 HydrophobicContact CB-CE3 3.92Å; C154-W193 HydrophobicContact CB-CZ3 3.78Å; C154-K225 WeakPolarHBondContact O-CD 3.3Å; C154-K225 WeakPolarHBondContact O-CE 3.49Å; C154-K225 PolarHBondContact O-NZ 3.33Å
155N97.6Very high97.4Very high98 Ų9829.3 Ų29.352%0.52417%0.17SC..Hα-helixtrans-61.3-39.3177.6-74.1-25.2000112.4G128 G129 R151 D152 L153G128-N155 CarbonylContact C-O 3.55Å; G128-N155 WeakPolarHBondContact CA-O 3.17Å; G129-N155 PolarHBondContact N-O 3Å; R151-N155 WeakPolarHBondContact O-CB 3.28Å; R151-N155 PolarHBondContact O-N 3.03Å; R151-N155 PolarHBondContact O-ND2 3.39Å; D152-N155 PolarHBondContact O-N 2.73Å; L153-N155 VanDerWaalsContact C-N 3.32Å; L153-N155 PolarHBondContact O-N 3.3Å
156A98.3Very high97.8Very high3 Ų328.7 Ų28.73%0.02517%0.166CC..Hα-helixtrans-67.8-32.5177.900000113.3L71 V126 G129 R130 F131 V134 D152 L153 C154L71-A156 HydrophobicContact CD2-CB 3.77Å; V126-A156 HydrophobicContact CG2-CB 4.13Å; G129-A156 PolarHBondContact N-O 3.21Å; R130-A156 PolarHBondContact N-O 3.03Å; F131-A156 HydrophobicContact CD2-CB 4.15Å; F131-A156 WeakPolarHBondContact CD2-O 3.4Å; F131-A156 PolarHBondContact N-O 3.49Å; V134-A156 HydrophobicContact CG2-CB 4.13Å; D152-A156 PolarHBondContact O-N 3.32Å; L153-A156 PolarHBondContact O-N 3.25Å; C154-A156 VanDerWaalsContact C-N 3.33Å; C154-A156 PolarHBondContact O-N 3.39Å
157T98.8Very high98Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-71.8140.9-176.7-45.50000112.4G129 V134 L153 C154 G161 I163 K225G129-T157 WeakPolarHBondContact CA-O 3.4Å; V134-T157 HydrophobicContact CG2-CG2 4.43Å; V134-T157 WeakPolarHBondContact CG2-OG1 3.4Å; L153-T157 PolarHBondContact O-N 2.89Å; L153-T157 PolarHBondContact O-OG1 3.38Å; C154-T157 PolarHBondContact O-N 2.88Å; T157-G161 VanDerWaalsContact CG2-C 3.43Å; T157-I163 HydrophobicContact CG2-CD1 3.76Å; T157-I163 HydrophobicContact CG2-CG1 4.16Å; T157-I163 VanDerWaalsContact OG1-CG1 3.22Å; T157-I163 WeakPolarHBondContact OG1-CG1 3.47Å; T157-K225 HydrophobicContact CG2-CB 4.17Å; T157-K225 HydrophobicContact CG2-CD 4.44Å; T157-K225 WeakPolarHBondContact O-CD 3.25Å; T157-K225 WeakPolarHBondContact O-CE 3.48Å; T157-K225 PolarHBondContact O-NZ 2.75Å
158K98.3Very high97.9Very high67 Ų6726.7 Ų26.729%0.29115%0.15SC..EExtended strand (participates in β ladder)trans-62.8150.5167.9-76.7161.9167.9161.90111.1G129 R130 F131 D132 G160 G161G129-K158 WeakPolarHBondContact O-CG 3.45Å; R130-K158 WeakPolarHBondContact O-CE 3.34Å; R130-K158 PolarHBondContact O-NZ 2.84Å; F131-K158 PolarHBondContact O-N 2.65Å; D132-K158 VanDerWaalsContact OD1-CD 3.25Å; D132-K158 WeakPolarHBondContact OD1-CD 3.49Å; D132-K158 IonicContact OD1-NZ 2.75Å; D132-K158 PolarHBondContact OD1-NZ 3.3Å; D132-K158 IonicContact OD2-NZ 3.58Å; D132-K158 PolarHBondContact OD2-NZ 3.48Å; K158-G160 PolarHBondContact O-N 3.03Å; K158-G161 WeakPolarHBondContact O-CA 3.37Å; K158-G161 PolarHBondContact O-N 2.9Å
159P98.3Very high97.9Very high94 Ų9425 Ų2561%0.6114%0.137SC*.EExtended strand (participates in β ladder)trans-51.4131.9162.8-24.534.9000110.6G161P159-G161 PolarHBondContact O-N 2.65Å
160G98.3Very high97.7Very high31 Ų3125.5 Ų25.532%0.3214%0.14SC..EExtended strand (participates in β ladder)trans75.2-2.7-173.600000116.1K158 K224 K225K158-G160 PolarHBondContact O-N 3.03Å; G160-K224 WeakPolarHBondContact O-CE 3.24Å; G160-K225 VanDerWaalsContact CA-O 3.25Å; G160-K225 WeakPolarHBondContact CA-O 3.3Å; G160-K225 PolarHBondContact N-O 3.43Å
161G98.6Very high97.4Very high5 Ų531.9 Ų31.95%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-78.2170.417400000112.9D132 T157 K158 P159 K224 K225D132-G161 CarbonylContact O-C 3.39Å; D132-G161 VanDerWaalsContact O-CA 3.31Å; D132-G161 WeakPolarHBondContact O-CA 3.48Å; T157-G161 VanDerWaalsContact CG2-C 3.43Å; K158-G161 WeakPolarHBondContact O-CA 3.37Å; K158-G161 PolarHBondContact O-N 2.9Å; P159-G161 PolarHBondContact O-N 2.65Å; G161-K224 CarbonylContact O-C 3.59Å; G161-K224 WeakPolarHBondContact O-CA 3.48Å; G161-K225 PolarHBondContact O-N 3.1Å
162F98.9Very high97Very high22 Ų2232.4 Ų32.410%0.09618%0.176CC..EExtended strand (participates in β ladder)trans-106.6143.3-171.9-62.3-97.2000112.1H60 F61 D132 V133 V134 L196 L222 Y223H60-F162 HydrophobicContact CB-CD1 4.47Å; H60-F162 HydrophobicContact CB-CE1 3.91Å; F61-F162 AromaticContact CD2-CD2 3.65Å; F61-F162 HydrophobicContact CD2-CD2 3.65Å; F61-F162 AromaticContact CD2-CE2 3.66Å; F61-F162 HydrophobicContact CD2-CE2 3.66Å; F61-F162 AromaticContact CE2-CD2 3.98Å; F61-F162 HydrophobicContact CE2-CD2 3.98Å; F61-F162 HydrophobicContact CE2-CE2 4.08Å; D132-F162 PolarHBondContact O-N 2.77Å; V133-F162 CarbonylContact C-O 3.6Å; V133-F162 WeakPolarHBondContact CA-O 3.14Å; V133-F162 HydrophobicContact CG2-CB 4.48Å; V134-F162 PolarHBondContact N-O 2.93Å; F162-L196 HydrophobicContact CD1-CD1 3.81Å; F162-L196 HydrophobicContact CE1-CD1 3.5Å; F162-L222 HydrophobicContact CB-CD1 4.31Å; F162-L222 HydrophobicContact CD1-CD1 4.3Å; F162-L222 HydrophobicContact CD1-CD2 4.47Å; F162-L222 HydrophobicContact CD1-CG 4.49Å; F162-Y223 CarbonylContact C-O 3.58Å; F162-Y223 WeakPolarHBondContact CA-O 3.34Å
163I98.9Very high96.9Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-120.7118.1171.2-56.789.1000108.2V134 L153 T157 M165 W193 L222 Y223 K225V134-I163 CarbonylContact O-C 3.56Å; V134-I163 VanDerWaalsContact O-CA 3.29Å; V134-I163 WeakPolarHBondContact O-CA 3.44Å; L153-I163 HydrophobicContact CB-CG2 4.1Å; L153-I163 HydrophobicContact CD1-CG2 4.33Å; T157-I163 HydrophobicContact CG2-CD1 3.76Å; T157-I163 HydrophobicContact CG2-CG1 4.16Å; T157-I163 VanDerWaalsContact OG1-CG1 3.22Å; T157-I163 WeakPolarHBondContact OG1-CG1 3.47Å; I163-M165 HydrophobicContact CG2-CE 3.98Å; I163-M165 HydrophobicContact CG2-CG 4.1Å; I163-M165 HydrophobicContact CG2-SD 4.16Å; I163-W193 HydrophobicContact CD1-CE3 4.13Å; I163-W193 HydrophobicContact CG1-CE3 4.49Å; I163-W193 HydrophobicContact CG2-CZ3 4.48Å; I163-L222 WeakPolarHBondContact O-CA 3.47Å; I163-Y223 PolarHBondContact N-O 3.01Å; I163-Y223 PolarHBondContact O-N 3.32Å; I163-K225 HydrophobicContact CD1-CB 3.97Å
164C98.9Very high96.7Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-111.6128.2175.3-174.10000110.5I57 V134 V135 I136 Y221 L222I57-C164 HydrophobicContact CD1-CB 3.64Å; I57-C164 HydrophobicContact CG1-CB 3.58Å; V134-C164 PolarHBondContact O-N 3.01Å; V135-C164 VanDerWaalsContact CA-O 3.31Å; V135-C164 WeakPolarHBondContact CA-O 3.49Å; V135-C164 HydrophobicContact CB-CB 4.39Å; V135-C164 HydrophobicContact CG2-CB 4.06Å; I136-C164 PolarHBondContact N-O 3.5Å; C164-Y221 WeakPolarHBondContact CA-O 3.28Å; C164-L222 HydrophobicContact CB-CD1 4Å
165M98.8Very high96.7Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-130.6147.4-176.7-70.7169.6-70.100109.4I136 L140 T150 L153 I163 L184 W193 Y221 Y223I136-M165 HydrophobicContact CG2-CB 4.11Å; I136-M165 HydrophobicContact CG2-CG 3.54Å; L140-M165 HydrophobicContact CD1-CB 3.79Å; L140-M165 HydrophobicContact CD1-CG 3.82Å; L140-M165 HydrophobicContact CD1-SD 4.12Å; T150-M165 HydrophobicContact CG2-SD 3.91Å; L153-M165 HydrophobicContact CD1-CG 3.98Å; L153-M165 HydrophobicContact CD1-SD 4.02Å; I163-M165 HydrophobicContact CG2-CE 3.98Å; I163-M165 HydrophobicContact CG2-CG 4.1Å; I163-M165 HydrophobicContact CG2-SD 4.16Å; M165-L184 HydrophobicContact CE-CD1 4.35Å; M165-L184 HydrophobicContact CE-CD2 3.54Å; M165-L184 HydrophobicContact SD-CD2 3.87Å; M165-W193 HydrophobicContact CE-CH2 4.05Å; M165-W193 HydrophobicContact CE-CZ3 4.49Å; M165-Y221 HydrophobicContact CB-CD2 4.36Å; M165-Y221 PolarHBondContact N-O 3.39Å; M165-Y221 PolarHBondContact O-N 3.3Å; M165-Y223 HydrophobicContact CE-CD2 3.46Å; M165-Y223 VanDerWaalsContact CE-CD2 3.46Å; M165-Y223 HydrophobicContact CE-CE2 3.74Å; M165-Y223 HydrophobicContact CE-CG 4.49Å
166T98.7Very high96.7Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-132.6148.2172.6700000112.1A53 I136 V137 G138 W204 V219 V220A53-T166 HydrophobicContact CB-CG2 4.06Å; I136-T166 PolarHBondContact O-N 3.38Å; V137-T166 WeakPolarHBondContact CA-OG1 3.25Å; V137-T166 HydrophobicContact CG2-CG2 4.13Å; G138-T166 PolarHBondContact N-OG1 3.21Å; G138-T166 VanDerWaalsContact N-OG1 3.14Å; T166-W204 HydrophobicContact CG2-CH2 3.82Å; T166-W204 HydrophobicContact CG2-CZ2 4.24Å; T166-V219 VanDerWaalsContact CA-O 3.25Å; T166-V219 WeakPolarHBondContact CA-O 3.41Å; T166-V220 HydrophobicContact CG2-CG1 4.39Å; T166-V220 HydrophobicContact CG2-CG2 4.14Å
167T97.9Very high96.6Very high2 Ų238.2 Ų38.21%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-144.7146.2172.3-174.70000110.7L140 N173 K177 L180 G218 V219 Y221L140-T167 WeakPolarHBondContact O-CB 3.45Å; L140-T167 PolarHBondContact O-OG1 2.93Å; T167-N173 PolarHBondContact OG1-ND2 2.86Å; T167-K177 HydrophobicContact CG2-CD 4.15Å; T167-K177 HydrophobicContact CG2-CG 3.95Å; T167-L180 HydrophobicContact CG2-CD2 4.17Å; T167-G218 CarbonylContact O-C 3.55Å; T167-G218 VanDerWaalsContact O-CA 3.29Å; T167-G218 WeakPolarHBondContact O-CA 3.42Å; T167-V219 HydrophobicContact CG2-CB 4.44Å; T167-V219 PolarHBondContact N-O 2.75Å; T167-V219 VanDerWaalsContact N-O 3.1Å; T167-V219 PolarHBondContact O-N 2.87Å; T167-Y221 HydrophobicContact CG2-CE2 3.72Å
168R95.9Very high96.6Very high45 Ų4541 Ų4117%0.1722%0.224CC..EExtended strand (participates in β ladder)trans-67.5154166.7-60.4173.7-173.5-131.8-5.8109.7N170 N173 E205 I216R168-N170 WeakPolarHBondContact CB-OD1 3.02Å; R168-N173 PolarHBondContact O-ND2 2.83Å; R168-E205 WeakPolarHBondContact CD-OE1 3.33Å; R168-E205 IonicContact CZ-OE1 2.78Å; R168-E205 IonicContact CZ-OE2 2.93Å; R168-E205 IonicContact NE-OE1 3.05Å; R168-E205 PolarHBondContact NE-OE1 2.53Å; R168-E205 IonicContact NH1-OE1 3.95Å; R168-E205 PolarHBondContact NH1-OE1 3.09Å; R168-E205 IonicContact NH1-OE2 2.68Å; R168-E205 PolarHBondContact NH1-OE2 3.35Å; R168-E205 IonicContact NH2-OE1 3.85Å; R168-E205 PolarHBondContact NH2-OE1 3.43Å; R168-E205 IonicContact NH2-OE2 3.77Å; R168-E205 PolarHBondContact NH2-OE2 3.42Å; R168-I216 HydrophobicContact CB-CD1 4.14Å; R168-I216 HydrophobicContact CG-CD1 4.01Å
169S95.3Very high96.6Very high33 Ų3340 Ų4023%0.23123%0.229CC..  trans-122.628.2178.9-62.30000112.4K177 S217S169-K177 VanDerWaalsContact OG-CD 3.3Å; S169-K177 WeakPolarHBondContact OG-CD 3.31Å; S169-K177 WeakPolarHBondContact OG-CE 3.24Å; S169-S217 WeakPolarHBondContact CB-OG 3.48Å; S169-S217 PolarHBondContact N-O 2.85Å
170N92.2Very high96.6Very high12 Ų1235.5 Ų35.56%0.06420%0.2CC..SBendtrans-76.8164.9174.566.5-46.5000112.4R168 E172 N173 S174 E212 I216R168-N170 WeakPolarHBondContact CB-OD1 3.02Å; N170-E172 VanDerWaalsContact C-N 3.29Å; N170-E172 PolarHBondContact O-N 3.28Å; N170-N173 PolarHBondContact O-N 3Å; N170-N173 VanDerWaalsContact OD1-CB 3.27Å; N170-N173 WeakPolarHBondContact OD1-CB 3.39Å; N170-S174 PolarHBondContact O-N 3.11Å; N170-E212 WeakPolarHBondContact CA-OE1 3.38Å; N170-E212 VanDerWaalsContact CB-OE1 3.3Å; N170-E212 WeakPolarHBondContact CB-OE1 3.27Å; N170-E212 VanDerWaalsContact CB-OE2 3.3Å; N170-E212 WeakPolarHBondContact CB-OE2 3.3Å; N170-I216 HydrophobicContact CB-CB 4.11Å; N170-I216 HydrophobicContact CB-CD1 4.14Å; N170-I216 HydrophobicContact CB-CG2 3.92Å
171Q90.5Very high96.7Very high133 Ų13335.7 Ų35.762%0.62119%0.193SC*.G310 helixtrans-58.3-37.2-173.2-175.958.569.300113.8N173 S174 E212Q171-N173 PolarHBondContact O-N 3.47Å; Q171-S174 PolarHBondContact NE2-OG 2.91Å; Q171-S174 PolarHBondContact O-N 3.29Å; Q171-S174 PolarHBondContact O-OG 2.84Å; Q171-S174 VanDerWaalsContact O-OG 3.09Å; Q171-E212 PolarHBondContact N-OE1 3.41Å; Q171-E212 VanDerWaalsContact N-OE1 3.12Å
172E89.6Confident96.7Very high86 Ų8638.6 Ų38.640%0.40221%0.213SC..G310 helixtrans-67.6-24.4179.6-67.2170.3-165.100112.6H19 N170 S209H19-E172 IonicContact ND1-OE2 3.81Å; N170-E172 VanDerWaalsContact C-N 3.29Å; N170-E172 PolarHBondContact O-N 3.28Å; E172-S209 PolarHBondContact OE1-OG 3.01Å
173N94.3Very high96.7Very high2 Ų239.1 Ų39.11%0.01122%0.215CC..G310 helixtrans-101.53.7-177.3-162.353.1000113.2S141 V142 T167 R168 N170 Q171 E175 Y176 K177S141-N173 VanDerWaalsContact CA-OD1 3.24Å; S141-N173 WeakPolarHBondContact CA-OD1 3.28Å; S141-N173 VanDerWaalsContact CB-OD1 3.31Å; S141-N173 WeakPolarHBondContact CB-OD1 3.36Å; V142-N173 PolarHBondContact N-OD1 2.69Å; T167-N173 PolarHBondContact OG1-ND2 2.86Å; R168-N173 PolarHBondContact O-ND2 2.83Å; N170-N173 PolarHBondContact O-N 3Å; N170-N173 VanDerWaalsContact OD1-CB 3.27Å; N170-N173 WeakPolarHBondContact OD1-CB 3.39Å; Q171-N173 PolarHBondContact O-N 3.47Å; N173-E175 PolarHBondContact O-N 3.09Å; N173-Y176 PolarHBondContact O-N 2.98Å; N173-K177 VanDerWaalsContact O-CB 3.3Å; N173-K177 WeakPolarHBondContact O-CB 3.36Å; N173-K177 PolarHBondContact O-N 3.02Å
174S94.9Very high96.6Very high50 Ų5039.1 Ų39.135%0.3522%0.216SC..Hα-helixtrans-62.8-42.6-169.762.50000113.5N170 Q171 K177 A178N170-S174 PolarHBondContact O-N 3.11Å; Q171-S174 PolarHBondContact NE2-OG 2.91Å; Q171-S174 PolarHBondContact O-N 3.29Å; Q171-S174 PolarHBondContact O-OG 2.84Å; Q171-S174 VanDerWaalsContact O-OG 3.09Å; S174-K177 PolarHBondContact O-N 3.07Å; S174-A178 WeakPolarHBondContact O-CB 3.45Å; S174-A178 PolarHBondContact O-N 2.84Å
175E97.1Very high96.6Very high165 Ų16545.2 Ų45.277%0.77124%0.239SC*.Hα-helixtrans-68.1-46.4179.4-67.5-179.5-177.300111.5N173 K177 A178 A179N173-E175 PolarHBondContact O-N 3.09Å; E175-K177 VanDerWaalsContact C-N 3.31Å; E175-K177 PolarHBondContact O-N 3.3Å; E175-A178 PolarHBondContact O-N 3.16Å; E175-A179 PolarHBondContact O-N 3.29Å
176Y97.4Very high96.6Very high26 Ų2649.7 Ų49.710%0.10226%0.258CS..Hα-helixtrans-58-46.4175.2179.3-83000110.8L140 S141 V142 V145 I147 N173 A178 A179 L180L140-Y176 WeakPolarHBondContact CA-OH 3.41Å; L140-Y176 HydrophobicContact CB-CE1 4.19Å; L140-Y176 WeakPolarHBondContact CD2-OH 3.09Å; L140-Y176 WeakPolarHBondContact O-CE1 3.25Å; S141-Y176 VanDerWaalsContact CA-CE1 3.46Å; S141-Y176 VanDerWaalsContact N-CE1 3.35Å; V142-Y176 HydrophobicContact CB-CG 4.44Å; V145-Y176 VanDerWaalsContact O-CE2 3.28Å; V145-Y176 WeakPolarHBondContact O-CE2 3.47Å; V145-Y176 PolarHBondContact O-OH 3.21Å; I147-Y176 HydrophobicContact CD1-CD2 4.35Å; I147-Y176 HydrophobicContact CD1-CE2 4.3Å; I147-Y176 HydrophobicContact CG1-CD2 4.29Å; I147-Y176 HydrophobicContact CG1-CE1 4.39Å; I147-Y176 HydrophobicContact CG1-CE2 3.75Å; N173-Y176 PolarHBondContact O-N 2.98Å; Y176-A178 PolarHBondContact O-N 3.25Å; Y176-A179 PolarHBondContact O-N 3.48Å; Y176-L180 HydrophobicContact CE1-CB 4.38Å; Y176-L180 HydrophobicContact CE1-CD2 4.3Å; Y176-L180 WeakPolarHBondContact O-CB 3.41Å; Y176-L180 PolarHBondContact O-N 3.28Å
177K97.8Very high96.6Very high29 Ų2949.7 Ų49.713%0.12626%0.258CS..Hα-helixtrans-62.2-42.8178.8-175.5-176-177.4-53.80111.7T167 S169 N173 S174 E175 A179 L180 D181 V219 Y221T167-K177 HydrophobicContact CG2-CD 4.15Å; T167-K177 HydrophobicContact CG2-CG 3.95Å; S169-K177 VanDerWaalsContact OG-CD 3.3Å; S169-K177 WeakPolarHBondContact OG-CD 3.31Å; S169-K177 WeakPolarHBondContact OG-CE 3.24Å; N173-K177 VanDerWaalsContact O-CB 3.3Å; N173-K177 WeakPolarHBondContact O-CB 3.36Å; N173-K177 PolarHBondContact O-N 3.02Å; S174-K177 PolarHBondContact O-N 3.07Å; E175-K177 VanDerWaalsContact C-N 3.31Å; E175-K177 PolarHBondContact O-N 3.3Å; K177-A179 VanDerWaalsContact C-N 3.31Å; K177-A179 PolarHBondContact O-N 2.7Å; K177-L180 PolarHBondContact O-N 3.01Å; K177-D181 IonicContact NZ-OD1 3.24Å; K177-D181 PolarHBondContact NZ-OD1 2.8Å; K177-D181 IonicContact NZ-OD2 2.7Å; K177-D181 PolarHBondContact NZ-OD2 3.47Å; K177-D181 WeakPolarHBondContact O-CB 3.46Å; K177-D181 VanDerWaalsContact O-CG 3.27Å; K177-D181 PolarHBondContact O-N 2.6Å; K177-V219 VanDerWaalsContact CE-CG2 3.45Å; K177-Y221 WeakPolarHBondContact CE-OH 3.32Å; K177-Y221 PolarHBondContact NZ-OH 3.03Å; K177-Y221 VanDerWaalsContact NZ-OH 3.09Å
178A98.4Very high96.6Very high58 Ų5852.9 Ų52.948%0.47927%0.273SS..Hα-helixtrans-62.3-41177.900000111.7S174 E175 Y176 S182S174-A178 WeakPolarHBondContact O-CB 3.45Å; S174-A178 PolarHBondContact O-N 2.84Å; E175-A178 PolarHBondContact O-N 3.16Å; Y176-A178 PolarHBondContact O-N 3.25Å; A178-S182 PolarHBondContact O-N 3.33Å
179A98.5Very high96.8Very high47 Ų4758.3 Ų58.339%0.38830%0.3SS..Hα-helixtrans-67.5-40.2175.100000112.2I147 E175 Y176 K177 S182 E183I147-A179 HydrophobicContact CD1-CB 3.38Å; E175-A179 PolarHBondContact O-N 3.29Å; Y176-A179 PolarHBondContact O-N 3.48Å; K177-A179 VanDerWaalsContact C-N 3.31Å; K177-A179 PolarHBondContact O-N 2.7Å; A179-S182 WeakPolarHBondContact O-CB 3.49Å; A179-S182 PolarHBondContact O-N 3.21Å; A179-E183 PolarHBondContact O-N 3.3Å
180L98.7Very high96.9Very high0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-59.7-51.9172.9177.463.8000110.6L140 I147 T150 T167 Y176 K177 S182 E183 L184 Y221L140-L180 HydrophobicContact CB-CD2 4.31Å; L140-L180 HydrophobicContact CD1-CD1 4.46Å; L140-L180 HydrophobicContact CD1-CD2 4.3Å; I147-L180 HydrophobicContact CG1-CB 4.39Å; I147-L180 HydrophobicContact CG2-CD1 4.25Å; T150-L180 HydrophobicContact CG2-CD1 3.67Å; T167-L180 HydrophobicContact CG2-CD2 4.17Å; Y176-L180 HydrophobicContact CE1-CB 4.38Å; Y176-L180 HydrophobicContact CE1-CD2 4.3Å; Y176-L180 WeakPolarHBondContact O-CB 3.41Å; Y176-L180 PolarHBondContact O-N 3.28Å; K177-L180 PolarHBondContact O-N 3.01Å; L180-S182 PolarHBondContact O-N 3.06Å; L180-S182 VanDerWaalsContact O-N 3.16Å; L180-E183 PolarHBondContact O-N 3.08Å; L180-E183 VanDerWaalsContact O-N 3.09Å; L180-L184 HydrophobicContact CD1-CD1 4.2Å; L180-L184 HydrophobicContact CD1-CD2 4.23Å; L180-L184 HydrophobicContact CD1-CG 4.04Å; L180-L184 HydrophobicContact CG-CD1 4.03Å; L180-L184 HydrophobicContact CG-CG 4.27Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-Y221 HydrophobicContact CD2-CE2 4.48Å
181D98.6Very high97.2Very high35 Ų3567.1 Ų67.119%0.18734%0.337CS..Hα-helixtrans-55.6-35.2177.5-71.7-22.5000111.7K177 R185 Y221K177-D181 IonicContact NZ-OD1 3.24Å; K177-D181 PolarHBondContact NZ-OD1 2.8Å; K177-D181 IonicContact NZ-OD2 2.7Å; K177-D181 PolarHBondContact NZ-OD2 3.47Å; K177-D181 WeakPolarHBondContact O-CB 3.46Å; K177-D181 VanDerWaalsContact O-CG 3.27Å; K177-D181 PolarHBondContact O-N 2.6Å; D181-R185 WeakPolarHBondContact O-CG 3.31Å; D181-R185 VanDerWaalsContact O-CZ 3.31Å; D181-R185 PolarHBondContact O-N 3.03Å; D181-R185 PolarHBondContact O-NH1 2.79Å; D181-Y221 WeakPolarHBondContact OD1-CE1 3.26Å; D181-Y221 VanDerWaalsContact OD1-CZ 3.29Å; D181-Y221 PolarHBondContact OD1-OH 3.36Å
182S98.7Very high97.6Very high65 Ų6563.5 Ų63.546%0.45532%0.322SS..Hα-helixtrans-70.4-44.4176.1-164.30000112.9A178 A179 L180 L184 R185 K186A178-S182 PolarHBondContact O-N 3.33Å; A179-S182 WeakPolarHBondContact O-CB 3.49Å; A179-S182 PolarHBondContact O-N 3.21Å; L180-S182 PolarHBondContact O-N 3.06Å; L180-S182 VanDerWaalsContact O-N 3.16Å; S182-L184 VanDerWaalsContact C-N 3.34Å; S182-R185 PolarHBondContact O-N 3.18Å; S182-K186 WeakPolarHBondContact O-CB 3.43Å; S182-K186 PolarHBondContact O-N 3.04Å
183E98.8Very high98Very high33 Ų3359.5 Ų59.515%0.15430%0.303CS..Hα-helixtrans-65.5-39.7177.2-177.863.3-169.200111.1I147 R151 A179 L180 R185 K186 M187I147-E183 HydrophobicContact CG2-CB 3.52Å; I147-E183 HydrophobicContact CG2-CG 3.78Å; R151-E183 IonicContact CZ-OE1 2.68Å; R151-E183 IonicContact NE-OE1 3.05Å; R151-E183 PolarHBondContact NE-OE1 3.13Å; R151-E183 IonicContact NH2-OE1 2.61Å; R151-E183 PolarHBondContact NH2-OE1 3.32Å; A179-E183 PolarHBondContact O-N 3.3Å; L180-E183 PolarHBondContact O-N 3.08Å; L180-E183 VanDerWaalsContact O-N 3.09Å; E183-R185 VanDerWaalsContact C-N 3.34Å; E183-R185 PolarHBondContact O-N 2.69Å; E183-K186 WeakPolarHBondContact O-CB 3.45Å; E183-K186 PolarHBondContact O-N 3.07Å; E183-M187 HydrophobicContact CG-CG 4.34Å; E183-M187 HydrophobicContact CG-SD 4.14Å; E183-M187 WeakPolarHBondContact O-CG 3.5Å; E183-M187 PolarHBondContact O-N 3.49Å
184L98.7Very high98.2Very high1 Ų162.2 Ų62.21%0.00532%0.32CS..Hα-helixtrans-62.8-40.6179.4-64.2179.4000112.5T150 M165 L180 S182 E188 W193 Y221 Y223T150-L184 HydrophobicContact CG2-CD2 3.96Å; M165-L184 HydrophobicContact CE-CD1 4.35Å; M165-L184 HydrophobicContact CE-CD2 3.54Å; M165-L184 HydrophobicContact SD-CD2 3.87Å; L180-L184 HydrophobicContact CD1-CD1 4.2Å; L180-L184 HydrophobicContact CD1-CD2 4.23Å; L180-L184 HydrophobicContact CD1-CG 4.04Å; L180-L184 HydrophobicContact CG-CD1 4.03Å; L180-L184 HydrophobicContact CG-CG 4.27Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.46Å; S182-L184 VanDerWaalsContact C-N 3.34Å; L184-E188 PolarHBondContact O-N 3.49Å; L184-W193 HydrophobicContact CB-CZ2 4.48Å; L184-W193 HydrophobicContact CD2-CH2 3.71Å; L184-W193 HydrophobicContact CD2-CZ2 3.48Å; L184-W193 VanDerWaalsContact CD2-CZ2 3.48Å; L184-W193 PolarHBondContact O-NE1 3.47Å; L184-Y221 HydrophobicContact CD1-CD1 3.78Å; L184-Y221 HydrophobicContact CD1-CD2 4.41Å; L184-Y221 HydrophobicContact CD1-CE1 3.94Å; L184-Y221 HydrophobicContact CD1-CG 4.04Å; L184-Y223 HydrophobicContact CB-CE2 4.43Å; L184-Y223 WeakPolarHBondContact CB-OH 3.36Å; L184-Y223 HydrophobicContact CD1-CE2 4.06Å; L184-Y223 HydrophobicContact CD2-CE2 4.34Å
185R98.6Very high98.4Very high128 Ų12861.7 Ų61.748%0.48332%0.316SS..Hα-helixtrans-64.6-44.8172.4-76.2-171.2-63.5-87.1-1.1111.9D181 S182 E183 M187 E188 E189D181-R185 WeakPolarHBondContact O-CG 3.31Å; D181-R185 VanDerWaalsContact O-CZ 3.31Å; D181-R185 PolarHBondContact O-N 3.03Å; D181-R185 PolarHBondContact O-NH1 2.79Å; S182-R185 PolarHBondContact O-N 3.18Å; E183-R185 VanDerWaalsContact C-N 3.34Å; E183-R185 PolarHBondContact O-N 2.69Å; R185-M187 VanDerWaalsContact C-N 3.31Å; R185-M187 PolarHBondContact O-N 3.4Å; R185-E188 WeakPolarHBondContact O-CB 3.34Å; R185-E188 PolarHBondContact O-N 3.26Å; R185-E188 VanDerWaalsContact O-N 3.09Å; R185-E189 WeakPolarHBondContact O-CG 3.45Å; R185-E189 PolarHBondContact O-N 3.47Å
186K98.8Very high98.5Very high94 Ų9457 Ų5741%0.40930%0.296SS..Hα-helixtrans-59.2-42.7177.7-177.1-174.9176-157.90111.8S182 E183 E188 E189 E190S182-K186 WeakPolarHBondContact O-CB 3.43Å; S182-K186 PolarHBondContact O-N 3.04Å; E183-K186 WeakPolarHBondContact O-CB 3.45Å; E183-K186 PolarHBondContact O-N 3.07Å; K186-E188 VanDerWaalsContact C-N 3.26Å; K186-E188 PolarHBondContact O-N 2.68Å; K186-E189 PolarHBondContact O-N 2.92Å; K186-E190 WeakPolarHBondContact CE-OE1 3.41Å; K186-E190 IonicContact NZ-OE1 3.14Å; K186-E190 WeakPolarHBondContact O-CB 3.4Å; K186-E190 VanDerWaalsContact O-CG 3.32Å; K186-E190 WeakPolarHBondContact O-CG 3.47Å; K186-E190 PolarHBondContact O-N 2.91Å
187M98.7Very high98.5Very high0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-65.9-28.8176.9-71-179.66600112.9T150 R151 C154 E183 R185 L192 W193T150-M187 PolarHBondContact OG1-SD 2.77Å; T150-M187 VanDerWaalsContact OG1-SD 3.38Å; R151-M187 HydrophobicContact CB-CE 4.46Å; R151-M187 HydrophobicContact CG-CE 3.9Å; R151-M187 HydrophobicContact CG-SD 3.82Å; C154-M187 HydrophobicContact CB-CE 3.75Å; E183-M187 HydrophobicContact CG-CG 4.34Å; E183-M187 HydrophobicContact CG-SD 4.14Å; E183-M187 WeakPolarHBondContact O-CG 3.5Å; E183-M187 PolarHBondContact O-N 3.49Å; R185-M187 VanDerWaalsContact C-N 3.31Å; R185-M187 PolarHBondContact O-N 3.4Å; M187-L192 HydrophobicContact CB-CD1 4.18Å; M187-L192 HydrophobicContact CE-CD1 3.87Å; M187-L192 HydrophobicContact CG-CD1 4.1Å; M187-L192 WeakPolarHBondContact O-CB 3.44Å; M187-L192 PolarHBondContact O-N 3.41Å; M187-W193 HydrophobicContact CB-CD2 4.42Å; M187-W193 HydrophobicContact CB-CH2 4.4Å; M187-W193 HydrophobicContact CB-CZ2 3.55Å; M187-W193 HydrophobicContact CE-CD2 4.29Å; M187-W193 HydrophobicContact CE-CE3 3.94Å; M187-W193 HydrophobicContact CE-CH2 3.24Å; M187-W193 HydrophobicContact CE-CZ2 3.6Å; M187-W193 HydrophobicContact CE-CZ3 3.42Å; M187-W193 VanDerWaalsContact CE-CZ3 3.42Å; M187-W193 HydrophobicContact CG-CZ2 4.11Å; M187-W193 HydrophobicContact SD-CH2 3.46Å; M187-W193 WeakPolarHBondContact SD-CH2 3.25Å; M187-W193 HydrophobicContact SD-CZ2 3.49Å; M187-W193 WeakPolarHBondContact SD-CZ2 3.48Å; M187-W193 HydrophobicContact SD-CZ3 4.27Å
188E98.3Very high98.6Very high69 Ų6960.7 Ų60.732%0.32232%0.319SS..Hα-helixtrans-73.4-40.7172-177.3164.1-143.800111.7L184 R185 K186 E190 E191 C195L184-E188 PolarHBondContact O-N 3.49Å; R185-E188 WeakPolarHBondContact O-CB 3.34Å; R185-E188 PolarHBondContact O-N 3.26Å; R185-E188 VanDerWaalsContact O-N 3.09Å; K186-E188 VanDerWaalsContact C-N 3.26Å; K186-E188 PolarHBondContact O-N 2.68Å; E188-E190 VanDerWaalsContact C-N 3.26Å; E188-E190 PolarHBondContact O-N 2.86Å; E188-E191 PolarHBondContact O-N 2.95Å; E188-C195 VanDerWaalsContact OE1-CB 3.28Å; E188-C195 WeakPolarHBondContact OE1-CB 3.21Å; E188-C195 PolarHBondContact OE1-N 3.12Å
189E98.4Very high98.6Very high158 Ų15860 Ų6074%0.73831%0.309SS*.Hα-helixtrans-62.9-31.4171.8-68.2167.8-172.700112.8R185 K186 E191R185-E189 WeakPolarHBondContact O-CG 3.45Å; R185-E189 PolarHBondContact O-N 3.47Å; K186-E189 PolarHBondContact O-N 2.92Å; E189-E191 PolarHBondContact O-N 2.91Å
190E98.5Very high98.5Very high75 Ų7566 Ų6635%0.3533%0.326SS..THydrogen-bonded Turntrans-78.13.9173.1-72.3173.9-171.100113.4R151 K186 E188 L192R151-E190 IonicContact CZ-OE1 2.81Å; R151-E190 IonicContact CZ-OE2 3.3Å; R151-E190 VanDerWaalsContact CZ-OE2 3.26Å; R151-E190 IonicContact NH1-OE1 3.26Å; R151-E190 IonicContact NH1-OE2 2.85Å; R151-E190 PolarHBondContact NH1-OE2 2.8Å; R151-E190 IonicContact NH2-OE1 3.22Å; R151-E190 PolarHBondContact NH2-OE1 2.95Å; R151-E190 IonicContact NH2-OE2 3.93Å; R151-E190 PolarHBondContact NH2-OE2 3.03Å; K186-E190 WeakPolarHBondContact CE-OE1 3.41Å; K186-E190 IonicContact NZ-OE1 3.14Å; K186-E190 WeakPolarHBondContact O-CB 3.4Å; K186-E190 VanDerWaalsContact O-CG 3.32Å; K186-E190 WeakPolarHBondContact O-CG 3.47Å; K186-E190 PolarHBondContact O-N 2.91Å; E188-E190 VanDerWaalsContact C-N 3.26Å; E188-E190 PolarHBondContact O-N 2.86Å; E190-L192 HydrophobicContact CB-CD1 4.4Å; E190-L192 HydrophobicContact CB-CG 4.03Å; E190-L192 PolarHBondContact O-N 3.19Å
191E98.4Very high98.5Very high155 Ų15566.8 Ų66.872%0.72433%0.331SS*.THydrogen-bonded Turntrans57.731-179.8-54.1-176.1146.300113.6E188 E189 L226E188-E191 PolarHBondContact O-N 2.95Å; E189-E191 PolarHBondContact O-N 2.91Å; E191-L226 HydrophobicContact CB-CD1 4.1Å; E191-L226 VanDerWaalsContact O-CD1 3.28Å; E191-L226 WeakPolarHBondContact O-CD1 3.39Å
192L98.6Very high98.3Very high58 Ų5873.5 Ų73.530%0.30436%0.359SS..SBendtrans-80.4-28.4175-58.9-178.5000112.2M187 E190 L226M187-L192 HydrophobicContact CB-CD1 4.18Å; M187-L192 HydrophobicContact CE-CD1 3.87Å; M187-L192 HydrophobicContact CG-CD1 4.1Å; M187-L192 WeakPolarHBondContact O-CB 3.44Å; M187-L192 PolarHBondContact O-N 3.41Å; E190-L192 HydrophobicContact CB-CD1 4.4Å; E190-L192 HydrophobicContact CB-CG 4.03Å; E190-L192 PolarHBondContact O-N 3.19Å; L192-L226 PolarHBondContact O-N 3.4Å
193W98.5Very high98.1Very high1 Ų174.5 Ų74.50%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-159.1175.1179.455.136.5000111.3C154 I163 M165 L184 M187 Y223 K224C154-W193 HydrophobicContact CB-CE3 3.92Å; C154-W193 HydrophobicContact CB-CZ3 3.78Å; I163-W193 HydrophobicContact CD1-CE3 4.13Å; I163-W193 HydrophobicContact CG1-CE3 4.49Å; I163-W193 HydrophobicContact CG2-CZ3 4.48Å; M165-W193 HydrophobicContact CE-CH2 4.05Å; M165-W193 HydrophobicContact CE-CZ3 4.49Å; L184-W193 HydrophobicContact CB-CZ2 4.48Å; L184-W193 HydrophobicContact CD2-CH2 3.71Å; L184-W193 HydrophobicContact CD2-CZ2 3.48Å; L184-W193 VanDerWaalsContact CD2-CZ2 3.48Å; L184-W193 PolarHBondContact O-NE1 3.47Å; M187-W193 HydrophobicContact CB-CD2 4.42Å; M187-W193 HydrophobicContact CB-CH2 4.4Å; M187-W193 HydrophobicContact CB-CZ2 3.55Å; M187-W193 HydrophobicContact CE-CD2 4.29Å; M187-W193 HydrophobicContact CE-CE3 3.94Å; M187-W193 HydrophobicContact CE-CH2 3.24Å; M187-W193 HydrophobicContact CE-CZ2 3.6Å; M187-W193 HydrophobicContact CE-CZ3 3.42Å; M187-W193 VanDerWaalsContact CE-CZ3 3.42Å; M187-W193 HydrophobicContact CG-CZ2 4.11Å; M187-W193 HydrophobicContact SD-CH2 3.46Å; M187-W193 WeakPolarHBondContact SD-CH2 3.25Å; M187-W193 HydrophobicContact SD-CZ2 3.49Å; M187-W193 WeakPolarHBondContact SD-CZ2 3.48Å; M187-W193 HydrophobicContact SD-CZ3 4.27Å; W193-Y223 HydrophobicContact CB-CD1 4.44Å; W193-Y223 AromaticContact CD1-CD1 3.33Å; W193-Y223 AromaticContact CD1-CE1 3.83Å; W193-Y223 AromaticContact CD2-CD1 3.93Å; W193-Y223 HydrophobicContact CD2-CD1 3.93Å; W193-Y223 HydrophobicContact CD2-CG 4.03Å; W193-Y223 AromaticContact CE2-CD1 3.74Å; W193-Y223 AromaticContact CG-CD1 3.68Å; W193-Y223 HydrophobicContact CG-CD1 3.68Å; W193-Y223 HydrophobicContact CG-CG 4.12Å; W193-Y223 AromaticContact NE1-CD1 3.38Å; W193-Y223 AromaticContact NE1-CE1 3.52Å; W193-K224 CarbonylContact C-O 3.4Å; W193-K224 WeakPolarHBondContact CA-O 3.4Å; W193-K224 WeakPolarHBondContact CB-O 3.23Å
194T98.6Very high97.9Very high60 Ų6073 Ų7337%0.36835%0.352SS..EExtended strand (participates in β ladder)trans-122.7136.4168.5-550000109.8L196 Y223 K224T194-L196 PolarHBondContact O-N 3.42Å; T194-Y223 CarbonylContact O-C 3.54Å; T194-Y223 WeakPolarHBondContact O-CA 3.08Å; T194-K224 PolarHBondContact N-O 3.09Å; T194-K224 PolarHBondContact O-N 3.35Å
195C98.5Very high97.6Very high39 Ų3973 Ų7326%0.26435%0.352SS..EExtended strand (participates in β ladder)trans-68.9123.3173.7-172.70000110.1E188 Y223E188-C195 VanDerWaalsContact OE1-CB 3.28Å; E188-C195 WeakPolarHBondContact OE1-CB 3.21Å; E188-C195 PolarHBondContact OE1-N 3.12Å; C195-Y223 VanDerWaalsContact CA-CD1 3.45Å; C195-Y223 HydrophobicContact CB-CD1 3.92Å; C195-Y223 HydrophobicContact CB-CE1 3.48Å; C195-Y223 VanDerWaalsContact CB-CE1 3.48Å
196L98.6Very high97.3Very high67 Ų6770.5 Ų70.535%0.35134%0.342SS..EExtended strand (participates in β ladder)trans-96.1-46.4174.3-59.8-170.8000111.6F162 T194 L222 K224F162-L196 HydrophobicContact CD1-CD1 3.81Å; F162-L196 HydrophobicContact CE1-CD1 3.5Å; T194-L196 PolarHBondContact O-N 3.42Å; L196-L222 HydrophobicContact CB-CD2 4.3Å; L196-L222 HydrophobicContact CB-CG 4.36Å; L196-L222 HydrophobicContact CD1-CD2 4.18Å; L196-L222 HydrophobicContact CD1-CG 4.38Å; L196-L222 PolarHBondContact N-O 3.23Å; L196-K224 HydrophobicContact CD1-CB 3.92Å; L196-K224 HydrophobicContact CD2-CB 4.06Å; L196-K224 HydrophobicContact CG-CB 3.98Å
197E98.4Very high96.8Very high61 Ų6166.2 Ų66.229%0.28532%0.324SS..EExtended strand (participates in β ladder)trans-150142.6-176.2-166.8-179167.200111.5H60 T199 L222H60-E197 IonicContact CE1-OE2 3.87Å; H60-E197 PolarHBondContact CE1-OE2 3.17Å; H60-E197 IonicContact ND1-OE2 2.94Å; H60-E197 IonicContact NE2-OE2 2.74Å; E197-T199 WeakPolarHBondContact CG-OG1 3.45Å; E197-T199 PolarHBondContact OE1-OG1 2.78Å; E197-L222 HydrophobicContact CB-CB 4.25Å; E197-L222 PolarHBondContact N-O 2.91Å; E197-L222 PolarHBondContact O-N 3.12Å
198V98.6Very high96.1Very high70 Ų7066.6 Ų66.642%0.42433%0.326SS..EExtended strand (participates in β ladder)trans-129.9107166.1-176.30000108.9V219 V220 Y221V198-V219 HydrophobicContact CG1-CG1 3.55Å; V198-V220 CarbonylContact C-O 3.56Å; V198-V220 WeakPolarHBondContact CA-O 3.39Å; V198-Y221 HydrophobicContact CG1-CD1 3.87Å; V198-Y221 HydrophobicContact CG1-CE1 3.91Å; V198-Y221 HydrophobicContact CG2-CD1 3.97Å
199T98.4Very high95.2Very high44 Ų4463.7 Ų63.727%0.2731%0.314SS..EExtended strand (participates in β ladder)trans-105.5111.5-174.4-33.40000110E197 V201 V219 V220E197-T199 WeakPolarHBondContact CG-OG1 3.45Å; E197-T199 PolarHBondContact OE1-OG1 2.78Å; T199-V201 HydrophobicContact CG2-CG2 4.42Å; T199-V219 VanDerWaalsContact O-CA 3.32Å; T199-V219 WeakPolarHBondContact O-CA 3.49Å; T199-V220 PolarHBondContact N-O 2.93Å; T199-V220 PolarHBondContact O-N 2.89Å
200K98.1Very high93.9Very high172 Ų17264.5 Ų64.575%0.74832%0.318SS*.EExtended strand (participates in β ladder)trans-83.7130.5171.5-62.3-178-177.4176.80109.7V219K200-V219 HydrophobicContact CG-CG2 4.15Å
201V97.4Very high92.7Very high17 Ų1769.4 Ų69.410%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-121.4119.3-176.9-179.60000108.6L52 T199 W204 S217 G218L52-V201 HydrophobicContact CD1-CB 4.46Å; L52-V201 HydrophobicContact CD1-CG1 3.93Å; L52-V201 HydrophobicContact CD1-CG2 4.1Å; T199-V201 HydrophobicContact CG2-CG2 4.42Å; V201-W204 HydrophobicContact CB-CE3 3.77Å; V201-W204 HydrophobicContact CB-CZ3 4.21Å; V201-W204 HydrophobicContact CG1-CE3 4.05Å; V201-W204 HydrophobicContact CG2-CE3 4.21Å; V201-W204 HydrophobicContact CG2-CZ3 4.15Å; V201-S217 CarbonylContact O-C 3.59Å; V201-S217 WeakPolarHBondContact O-CA 3.15Å; V201-S217 VanDerWaalsContact O-CB 3.24Å; V201-S217 WeakPolarHBondContact O-CB 3.24Å; V201-G218 PolarHBondContact N-O 3.31Å; V201-G218 PolarHBondContact O-N 3.49Å
202K94.5Very high91.8Very high177 Ų17764.1 Ų64.177%0.7731%0.313SS*.EExtended strand (participates in β ladder)trans-69.3-47.4-177.5-69.4-174.9178.4-178.70112W204 I216 S217K202-W204 PolarHBondContact O-N 2.7Å; K202-I216 CarbonylContact O-C 3.43Å; K202-S217 WeakPolarHBondContact O-CA 3.21Å
203D94.1Very high90.8Very high86 Ų8668.4 Ų68.446%0.4634%0.336SS..EExtended strand (participates in β ladder)trans-102.777.9-176.7-50.9-33.1000108.7R48 Y215R48-D203 WeakPolarHBondContact CD-O 3.34Å; R48-D203 PolarHBondContact NH1-O 2.79Å; D203-Y215 HydrophobicContact CB-CD1 3.84Å; D203-Y215 HydrophobicContact CB-CE1 4.33Å; D203-Y215 HydrophobicContact CB-CG 4.07Å
204W94.8Very high90.5Very high2 Ų270.7 Ų70.71%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-82.8-47.8-174.7-175.3-104.4000112.5Y47 R48 A49 L52 T166 V201 K202 I216 V220Y47-W204 AromaticContact CE2-NE1 3.82Å; R48-W204 PolarHBondContact N-O 3.03Å; A49-W204 HydrophobicContact CB-CD2 4.47Å; A49-W204 HydrophobicContact CB-CH2 3.63Å; A49-W204 HydrophobicContact CB-CZ2 3.12Å; A49-W204 HydrophobicContact CB-CZ3 4.45Å; L52-W204 HydrophobicContact CD1-CE3 3.88Å; L52-W204 HydrophobicContact CD1-CZ3 3.76Å; T166-W204 HydrophobicContact CG2-CH2 3.82Å; T166-W204 HydrophobicContact CG2-CZ2 4.24Å; V201-W204 HydrophobicContact CB-CE3 3.77Å; V201-W204 HydrophobicContact CB-CZ3 4.21Å; V201-W204 HydrophobicContact CG1-CE3 4.05Å; V201-W204 HydrophobicContact CG2-CE3 4.21Å; V201-W204 HydrophobicContact CG2-CZ3 4.15Å; K202-W204 PolarHBondContact O-N 2.7Å; W204-I216 WeakPolarHBondContact CB-O 3.32Å; W204-I216 PolarHBondContact N-O 3.24Å; W204-V220 HydrophobicContact CH2-CG2 3.83Å; W204-V220 HydrophobicContact CZ3-CG2 3.77Å
205E92.9Very high90.2Very high0 Ų072.2 Ų72.20%036%0.36CS..EExtended strand (participates in β ladder)trans-165.7163172.271.7-160.4124.100109.2L45 D46 Y47 R168 Y215 I216L45-E205 CarbonylContact O-C 3.55Å; L45-E205 WeakPolarHBondContact O-CA 3.48Å; D46-E205 WeakPolarHBondContact O-CA 3.46Å; Y47-E205 HydrophobicContact CD2-CB 4.1Å; Y47-E205 WeakPolarHBondContact CD2-OE2 3.36Å; R168-E205 WeakPolarHBondContact CD-OE1 3.33Å; R168-E205 IonicContact CZ-OE1 2.78Å; R168-E205 IonicContact CZ-OE2 2.93Å; R168-E205 IonicContact NE-OE1 3.05Å; R168-E205 PolarHBondContact NE-OE1 2.53Å; R168-E205 IonicContact NH1-OE1 3.95Å; R168-E205 PolarHBondContact NH1-OE1 3.09Å; R168-E205 IonicContact NH1-OE2 2.68Å; R168-E205 PolarHBondContact NH1-OE2 3.35Å; R168-E205 IonicContact NH2-OE1 3.85Å; R168-E205 PolarHBondContact NH2-OE1 3.43Å; R168-E205 IonicContact NH2-OE2 3.77Å; R168-E205 PolarHBondContact NH2-OE2 3.42Å; E205-Y215 CarbonylContact O-C 3.55Å; E205-Y215 VanDerWaalsContact O-CA 3.26Å; E205-Y215 WeakPolarHBondContact O-CA 3.46Å; E205-Y215 WeakPolarHBondContact O-CD1 3.45Å; E205-I216 HydrophobicContact CG-CD1 3.87Å; E205-I216 HydrophobicContact CG-CG1 3.67Å; E205-I216 PolarHBondContact O-N 2.96Å
206R92.3Very high90Very high76 Ų7670.7 Ų70.729%0.28735%0.349SS..EExtended strand (participates in β ladder)trans-66.8134.5179.1-65.1174.866.6-166.93.7111F8 V44 L45 D46 V208 G214 Y215F8-R206 HydrophobicContact CD2-CB 4.46Å; F8-R206 VanDerWaalsContact CD2-NH2 3.34Å; F8-R206 HydrophobicContact CE2-CB 3.54Å; F8-R206 HydrophobicContact CE2-CG 4.44Å; F8-R206 HydrophobicContact CZ-CB 4.08Å; V44-R206 WeakPolarHBondContact O-CD 3.43Å; V44-R206 PolarHBondContact O-NH1 3.08Å; V44-R206 VanDerWaalsContact O-NH1 3.08Å; L45-R206 WeakPolarHBondContact O-CB 3.38Å; L45-R206 WeakPolarHBondContact O-CG 3.36Å; L45-R206 PolarHBondContact O-N 3.49Å; D46-R206 HydrophobicContact CB-CG 4.37Å; R206-V208 PolarHBondContact O-N 2.87Å; R206-G214 CarbonylContact C-O 3.48Å; R206-G214 VanDerWaalsContact CA-O 3.28Å; R206-G214 WeakPolarHBondContact CA-O 3.45Å; R206-Y215 HydrophobicContact CG-CD1 4.29Å; R206-Y215 HydrophobicContact CG-CD2 4.33Å; R206-Y215 HydrophobicContact CG-CE1 3.8Å; R206-Y215 HydrophobicContact CG-CE2 3.83Å
207A88.4Confident89.9Confident3 Ų369.9 Ų69.93%0.02535%0.349CS..  trans-67.3126.6-175.700000111.5F8 E212 G214 I216F8-A207 WeakPolarHBondContact CZ-O 3.46Å; A207-E212 HydrophobicContact CB-CB 3.85Å; A207-E212 VanDerWaalsContact CB-O 3.23Å; A207-E212 WeakPolarHBondContact CB-O 3.37Å; A207-G214 PolarHBondContact N-O 2.97Å; A207-I216 HydrophobicContact CB-CG2 3.75Å
208V83.8Confident89.8Confident8 Ų867 Ų675%0.04834%0.336CS..  trans-101.6-14.5176.2-63.90000112.9K12 V15 L16 L45 R206K12-V208 WeakPolarHBondContact CE-O 3.47Å; K12-V208 HydrophobicContact CG-CB 4.14Å; K12-V208 HydrophobicContact CG-CG1 4.42Å; V15-V208 HydrophobicContact CB-CG1 4.5Å; V15-V208 HydrophobicContact CG1-CG1 4.43Å; V15-V208 HydrophobicContact CG1-CG2 3.99Å; L16-V208 WeakPolarHBondContact CD1-O 3.13Å; L16-V208 WeakPolarHBondContact CD2-O 3.3Å; L16-V208 WeakPolarHBondContact CG-O 3.29Å; L45-V208 HydrophobicContact CD1-CG1 4.3Å; L45-V208 HydrophobicContact CD2-CG1 3.63Å; R206-V208 PolarHBondContact O-N 2.87Å
209S79.1Confident89.8Confident9 Ų963.8 Ų63.86%0.06332%0.317CS..SBendtrans-69.5152.2177.6-170.60000111E172 K211 E212E172-S209 PolarHBondContact OE1-OG 3.01Å; S209-K211 PolarHBondContact O-N 3.41Å; S209-K211 PolarHBondContact OG-N 3.26Å; S209-E212 VanDerWaalsContact O-O 3.14Å
210E71.7Confident89.8Confident174 Ų17461.9 Ų61.981%0.81331%0.305SS*.THydrogen-bonded Turntrans-71.4-14.9170.3-65.9-177.2171.200112.4
211K73.6Confident89.9Confident178 Ų17853.9 Ų53.977%0.77427%0.27SS*.THydrogen-bonded Turntrans-95.4-8.2-175.7-63.6177.3-178174.50113.8S209S209-K211 PolarHBondContact O-N 3.41Å; S209-K211 PolarHBondContact OG-N 3.26Å
212E78.2Confident89.9Confident44 Ų4453.1 Ų53.121%0.20627%0.265CS..  trans-133.7129.4-174.2-68.1173.1143.400109N170 Q171 A207 S209 I216N170-E212 WeakPolarHBondContact CA-OE1 3.38Å; N170-E212 VanDerWaalsContact CB-OE1 3.3Å; N170-E212 WeakPolarHBondContact CB-OE1 3.27Å; N170-E212 VanDerWaalsContact CB-OE2 3.3Å; N170-E212 WeakPolarHBondContact CB-OE2 3.3Å; Q171-E212 PolarHBondContact N-OE1 3.41Å; Q171-E212 VanDerWaalsContact N-OE1 3.12Å; A207-E212 HydrophobicContact CB-CB 3.85Å; A207-E212 VanDerWaalsContact CB-O 3.23Å; A207-E212 WeakPolarHBondContact CB-O 3.37Å; S209-E212 VanDerWaalsContact O-O 3.14Å; E212-I216 HydrophobicContact CB-CG2 4.37Å; E212-I216 VanDerWaalsContact OE2-CG2 3.24Å; E212-I216 WeakPolarHBondContact OE2-CG2 3.37Å
213D79.2Confident90.2Very high148 Ų14845.1 Ų45.179%0.79123%0.23SC*.  trans-109.4154.1176.2-73.6-34.4000110.9Y215D213-Y215 PolarHBondContact O-N 3.46Å
214G90.5Very high90.4Very high50 Ų5045.2 Ų45.252%0.51523%0.226SC..SBendtrans79.1-112.7178.100000112.3R206 A207R206-G214 CarbonylContact C-O 3.48Å; R206-G214 VanDerWaalsContact CA-O 3.28Å; R206-G214 WeakPolarHBondContact CA-O 3.45Å; A207-G214 PolarHBondContact N-O 2.97Å
215Y92.5Very high90.6Very high91 Ų9146.7 Ų46.736%0.35723%0.233SC..EExtended strand (participates in β ladder)trans-120.4143.8-179.4-78.6-106.4000110.9D46 D203 E205 R206 D213D46-Y215 HydrophobicContact CB-CE1 3.94Å; D46-Y215 WeakPolarHBondContact CB-OH 3.44Å; D46-Y215 VanDerWaalsContact OD2-CE1 3.25Å; D46-Y215 WeakPolarHBondContact OD2-CE1 2.99Å; D46-Y215 VanDerWaalsContact OD2-CZ 3.31Å; D46-Y215 PolarHBondContact OD2-OH 3.4Å; D203-Y215 HydrophobicContact CB-CD1 3.84Å; D203-Y215 HydrophobicContact CB-CE1 4.33Å; D203-Y215 HydrophobicContact CB-CG 4.07Å; E205-Y215 CarbonylContact O-C 3.55Å; E205-Y215 VanDerWaalsContact O-CA 3.26Å; E205-Y215 WeakPolarHBondContact O-CA 3.46Å; E205-Y215 WeakPolarHBondContact O-CD1 3.45Å; R206-Y215 HydrophobicContact CG-CD1 4.29Å; R206-Y215 HydrophobicContact CG-CD2 4.33Å; R206-Y215 HydrophobicContact CG-CE1 3.8Å; R206-Y215 HydrophobicContact CG-CE2 3.83Å; D213-Y215 PolarHBondContact O-N 3.46Å
216I94.1Very high90.7Very high8 Ų852.7 Ų52.74%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-87.1158.9163.264.2170.7000110R168 N170 K202 W204 E205 A207 E212R168-I216 HydrophobicContact CB-CD1 4.14Å; R168-I216 HydrophobicContact CG-CD1 4.01Å; N170-I216 HydrophobicContact CB-CB 4.11Å; N170-I216 HydrophobicContact CB-CD1 4.14Å; N170-I216 HydrophobicContact CB-CG2 3.92Å; K202-I216 CarbonylContact O-C 3.43Å; W204-I216 WeakPolarHBondContact CB-O 3.32Å; W204-I216 PolarHBondContact N-O 3.24Å; E205-I216 HydrophobicContact CG-CD1 3.87Å; E205-I216 HydrophobicContact CG-CG1 3.67Å; E205-I216 PolarHBondContact O-N 2.96Å; A207-I216 HydrophobicContact CB-CG2 3.75Å; E212-I216 HydrophobicContact CB-CG2 4.37Å; E212-I216 VanDerWaalsContact OE2-CG2 3.24Å; E212-I216 WeakPolarHBondContact OE2-CG2 3.37Å
217S96.5Very high90.7Very high50 Ų5051.5 Ų51.535%0.3526%0.263SS..EExtended strand (participates in β ladder)trans-93.5165.2173.764.30000112.1S169 V201 K202S169-S217 WeakPolarHBondContact CB-OG 3.48Å; S169-S217 PolarHBondContact N-O 2.85Å; V201-S217 CarbonylContact O-C 3.59Å; V201-S217 WeakPolarHBondContact O-CA 3.15Å; V201-S217 VanDerWaalsContact O-CB 3.24Å; V201-S217 WeakPolarHBondContact O-CB 3.24Å; K202-S217 WeakPolarHBondContact O-CA 3.21Å
218G97.7Very high90.8Very high1 Ų154.1 Ų54.11%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-152.9176.2178.200000112T167 V201T167-G218 CarbonylContact O-C 3.55Å; T167-G218 VanDerWaalsContact O-CA 3.29Å; T167-G218 WeakPolarHBondContact O-CA 3.42Å; V201-G218 PolarHBondContact N-O 3.31Å; V201-G218 PolarHBondContact O-N 3.49Å
219V98.6Very high91.2Very high2 Ų256.6 Ų56.61%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-135.3137.4179.9-1740000110T166 T167 K177 V198 T199 K200 Y221T166-V219 VanDerWaalsContact CA-O 3.25Å; T166-V219 WeakPolarHBondContact CA-O 3.41Å; T167-V219 HydrophobicContact CG2-CB 4.44Å; T167-V219 PolarHBondContact N-O 2.75Å; T167-V219 VanDerWaalsContact N-O 3.1Å; T167-V219 PolarHBondContact O-N 2.87Å; K177-V219 VanDerWaalsContact CE-CG2 3.45Å; V198-V219 HydrophobicContact CG1-CG1 3.55Å; T199-V219 VanDerWaalsContact O-CA 3.32Å; T199-V219 WeakPolarHBondContact O-CA 3.49Å; K200-V219 HydrophobicContact CG-CG2 4.15Å; V219-Y221 HydrophobicContact CB-CD2 4.47Å; V219-Y221 HydrophobicContact CB-CE2 3.77Å; V219-Y221 HydrophobicContact CG1-CD1 4.17Å; V219-Y221 HydrophobicContact CG1-CD2 4Å; V219-Y221 HydrophobicContact CG1-CE1 3.79Å; V219-Y221 HydrophobicContact CG1-CE2 3.59Å; V219-Y221 HydrophobicContact CG1-CG 4.26Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.47Å
220V98.8Very high91.9Very high3 Ų359.4 Ų59.42%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-102.2131.1163-174.10000107.8L52 C56 T166 V198 T199 W204L52-V220 HydrophobicContact CB-CG2 4.03Å; C56-V220 HydrophobicContact CB-CG1 3.97Å; T166-V220 HydrophobicContact CG2-CG1 4.39Å; T166-V220 HydrophobicContact CG2-CG2 4.14Å; V198-V220 CarbonylContact C-O 3.56Å; V198-V220 WeakPolarHBondContact CA-O 3.39Å; T199-V220 PolarHBondContact N-O 2.93Å; T199-V220 PolarHBondContact O-N 2.89Å; W204-V220 HydrophobicContact CH2-CG2 3.83Å; W204-V220 HydrophobicContact CZ3-CG2 3.77Å
221Y98.8Very high93.2Very high5 Ų552.3 Ų52.32%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-114.5138.3171.7-50.6-100.4000109.1C164 M165 T167 K177 L180 D181 L184 V198 V219 Y223C164-Y221 WeakPolarHBondContact CA-O 3.28Å; M165-Y221 HydrophobicContact CB-CD2 4.36Å; M165-Y221 PolarHBondContact N-O 3.39Å; M165-Y221 PolarHBondContact O-N 3.3Å; T167-Y221 HydrophobicContact CG2-CE2 3.72Å; K177-Y221 WeakPolarHBondContact CE-OH 3.32Å; K177-Y221 PolarHBondContact NZ-OH 3.03Å; K177-Y221 VanDerWaalsContact NZ-OH 3.09Å; L180-Y221 HydrophobicContact CD2-CE2 4.48Å; D181-Y221 WeakPolarHBondContact OD1-CE1 3.26Å; D181-Y221 VanDerWaalsContact OD1-CZ 3.29Å; D181-Y221 PolarHBondContact OD1-OH 3.36Å; L184-Y221 HydrophobicContact CD1-CD1 3.78Å; L184-Y221 HydrophobicContact CD1-CD2 4.41Å; L184-Y221 HydrophobicContact CD1-CE1 3.94Å; L184-Y221 HydrophobicContact CD1-CG 4.04Å; V198-Y221 HydrophobicContact CG1-CD1 3.87Å; V198-Y221 HydrophobicContact CG1-CE1 3.91Å; V198-Y221 HydrophobicContact CG2-CD1 3.97Å; V219-Y221 HydrophobicContact CB-CD2 4.47Å; V219-Y221 HydrophobicContact CB-CE2 3.77Å; V219-Y221 HydrophobicContact CG1-CD1 4.17Å; V219-Y221 HydrophobicContact CG1-CD2 4Å; V219-Y221 HydrophobicContact CG1-CE1 3.79Å; V219-Y221 HydrophobicContact CG1-CE2 3.59Å; V219-Y221 HydrophobicContact CG1-CG 4.26Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.47Å; Y221-Y223 HydrophobicContact CD1-CE2 4.42Å; Y221-Y223 HydrophobicContact CG-CE2 4.45Å
222L98.9Very high94.5Very high0 Ų043.9 Ų43.90%024%0.236CC..EExtended strand (participates in β ladder)trans-128.8123.3173.4-173.270000110I57 H60 F162 I163 C164 L196 E197I57-L222 HydrophobicContact CG1-CD1 4.31Å; H60-L222 HydrophobicContact CB-CD2 3.65Å; H60-L222 VanDerWaalsContact ND1-CD2 3.34Å; H60-L222 WeakPolarHBondContact ND1-CD2 3.33Å; F162-L222 HydrophobicContact CB-CD1 4.31Å; F162-L222 HydrophobicContact CD1-CD1 4.3Å; F162-L222 HydrophobicContact CD1-CD2 4.47Å; F162-L222 HydrophobicContact CD1-CG 4.49Å; I163-L222 WeakPolarHBondContact O-CA 3.47Å; C164-L222 HydrophobicContact CB-CD1 4Å; L196-L222 HydrophobicContact CB-CD2 4.3Å; L196-L222 HydrophobicContact CB-CG 4.36Å; L196-L222 HydrophobicContact CD1-CD2 4.18Å; L196-L222 HydrophobicContact CD1-CG 4.38Å; L196-L222 PolarHBondContact N-O 3.23Å; E197-L222 HydrophobicContact CB-CB 4.25Å; E197-L222 PolarHBondContact N-O 2.91Å; E197-L222 PolarHBondContact O-N 3.12Å
223Y98.9Very high95.6Very high9 Ų943.9 Ų43.94%0.03524%0.238CC..EExtended strand (participates in β ladder)trans-121.3153.3177.1-69.8-94.1000110.4F162 I163 M165 L184 W193 T194 C195 Y221F162-Y223 CarbonylContact C-O 3.58Å; F162-Y223 WeakPolarHBondContact CA-O 3.34Å; I163-Y223 PolarHBondContact N-O 3.01Å; I163-Y223 PolarHBondContact O-N 3.32Å; M165-Y223 HydrophobicContact CE-CD2 3.46Å; M165-Y223 VanDerWaalsContact CE-CD2 3.46Å; M165-Y223 HydrophobicContact CE-CE2 3.74Å; M165-Y223 HydrophobicContact CE-CG 4.49Å; L184-Y223 HydrophobicContact CB-CE2 4.43Å; L184-Y223 WeakPolarHBondContact CB-OH 3.36Å; L184-Y223 HydrophobicContact CD1-CE2 4.06Å; L184-Y223 HydrophobicContact CD2-CE2 4.34Å; W193-Y223 HydrophobicContact CB-CD1 4.44Å; W193-Y223 AromaticContact CD1-CD1 3.33Å; W193-Y223 AromaticContact CD1-CE1 3.83Å; W193-Y223 AromaticContact CD2-CD1 3.93Å; W193-Y223 HydrophobicContact CD2-CD1 3.93Å; W193-Y223 HydrophobicContact CD2-CG 4.03Å; W193-Y223 AromaticContact CE2-CD1 3.74Å; W193-Y223 AromaticContact CG-CD1 3.68Å; W193-Y223 HydrophobicContact CG-CD1 3.68Å; W193-Y223 HydrophobicContact CG-CG 4.12Å; W193-Y223 AromaticContact NE1-CD1 3.38Å; W193-Y223 AromaticContact NE1-CE1 3.52Å; T194-Y223 CarbonylContact O-C 3.54Å; T194-Y223 WeakPolarHBondContact O-CA 3.08Å; C195-Y223 VanDerWaalsContact CA-CD1 3.45Å; C195-Y223 HydrophobicContact CB-CD1 3.92Å; C195-Y223 HydrophobicContact CB-CE1 3.48Å; C195-Y223 VanDerWaalsContact CB-CE1 3.48Å; Y221-Y223 HydrophobicContact CD1-CE2 4.42Å; Y221-Y223 HydrophobicContact CG-CE2 4.45Å
224K98.7Very high96.9Very high88 Ų8835.8 Ų35.838%0.38320%0.196SC..EExtended strand (participates in β ladder)trans-114.2124.4169.7-170.3177.8-177.5179.40109.3G160 G161 W193 T194 L196G160-K224 WeakPolarHBondContact O-CE 3.24Å; G161-K224 CarbonylContact O-C 3.59Å; G161-K224 WeakPolarHBondContact O-CA 3.48Å; W193-K224 CarbonylContact C-O 3.4Å; W193-K224 WeakPolarHBondContact CA-O 3.4Å; W193-K224 WeakPolarHBondContact CB-O 3.23Å; T194-K224 PolarHBondContact N-O 3.09Å; T194-K224 PolarHBondContact O-N 3.35Å; L196-K224 HydrophobicContact CD1-CB 3.92Å; L196-K224 HydrophobicContact CD2-CB 4.06Å; L196-K224 HydrophobicContact CG-CB 3.98Å
225K98.7Very high97.4Very high34 Ų3434.7 Ų34.715%0.14817%0.169CC..EExtended strand (participates in β ladder)trans-64.8139.6176.5-177.1167.2177.6175.70110.8C154 T157 G160 G161 I163C154-K225 WeakPolarHBondContact O-CD 3.3Å; C154-K225 WeakPolarHBondContact O-CE 3.49Å; C154-K225 PolarHBondContact O-NZ 3.33Å; T157-K225 HydrophobicContact CG2-CB 4.17Å; T157-K225 HydrophobicContact CG2-CD 4.44Å; T157-K225 WeakPolarHBondContact O-CD 3.25Å; T157-K225 WeakPolarHBondContact O-CE 3.48Å; T157-K225 PolarHBondContact O-NZ 2.75Å; G160-K225 VanDerWaalsContact CA-O 3.25Å; G160-K225 WeakPolarHBondContact CA-O 3.3Å; G160-K225 PolarHBondContact N-O 3.43Å; G161-K225 PolarHBondContact O-N 3.1Å; I163-K225 HydrophobicContact CD1-CB 3.97Å
226L96.8Very high97.9Very high125 Ų12529.5 Ų29.565%0.65415%0.152SC*.  trans-80.70174.4-68.6173000111.8E191 L192E191-L226 HydrophobicContact CB-CD1 4.1Å; E191-L226 VanDerWaalsContact O-CD1 3.28Å; E191-L226 WeakPolarHBondContact O-CD1 3.39Å; L192-L226 PolarHBondContact O-N 3.4Å

Retrieved 226 of 226 residues in 290.1 ms (Link to these results)

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