A0A3Q0KJF0_SCHMA Loading...

protein-synthesizing GTPase

AlphaFold DB , UniProt , Accession A0A3Q0KJF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 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
1M30.8Very low55.9Low218 Ų21886.4 Ų86.4100%1.07447%0.467SS*.  01340-70.1-164.4-179.200107.1D3M1-D3 PolarHBondContact O-N 3.3Å
2P39.4Very low56.8Low116 Ų11683.4 Ų83.475%0.75345%0.454SS*.  trans-58.9126.2167.625.7-30.5000107.3K4P2-K4 PolarHBondContact O-N 2.92Å; P2-K4 VanDerWaalsContact O-N 3.1Å
3D48.1Very low57.4Low54 Ų5492.3 Ų92.329%0.28949%0.49SS..  trans-57.5116.7-172.6-126.2-34000109M1 R5 R30M1-D3 PolarHBondContact O-N 3.3Å; D3-R5 PolarHBondContact O-N 3.38Å; D3-R30 IonicContact OD2-CZ 3.33Å; D3-R30 IonicContact OD2-NH1 2.96Å; D3-R30 PolarHBondContact OD2-NH1 3.38Å; D3-R30 IonicContact OD2-NH2 2.77Å; D3-R30 PolarHBondContact OD2-NH2 3.39Å
4K48.2Very low57.9Low204 Ų20496.3 Ų96.389%0.88751%0.505SS*.THydrogen-bonded Turntrans-64.71.8-179.1-75.7-175.7176.1-179.80113.5P2P2-K4 PolarHBondContact O-N 2.92Å; P2-K4 VanDerWaalsContact O-N 3.1Å
5R54Low58.3Low104 Ų10491.3 Ų91.339%0.39248%0.478SS..THydrogen-bonded Turntrans-107.315.9-172.5-61.7-174.3-179.8169.14.6114.2D3 L7 Q318D3-R5 PolarHBondContact O-N 3.38Å; R5-L7 HydrophobicContact CB-CD1 4.19Å; R5-L7 HydrophobicContact CB-CG 4.17Å; R5-L7 PolarHBondContact O-N 3.28Å; R5-Q318 PolarHBondContact NH1-O 3.07Å
6G57.4Low59.1Low51 Ų5190.9 Ų90.953%0.52648%0.477SS..  trans60.715.5176.700000115.4
7L62.7Low59.8Low10 Ų1088 Ų885%0.05246%0.464CS..PPolyproline II helixtrans-83.4143179.1-63.2172.2000110.2R5 V9 S29 R30 K79R5-L7 HydrophobicContact CB-CD1 4.19Å; R5-L7 HydrophobicContact CB-CG 4.17Å; R5-L7 PolarHBondContact O-N 3.28Å; L7-V9 PolarHBondContact O-N 3.14Å; L7-S29 WeakPolarHBondContact CD2-OG 3.34Å; L7-R30 HydrophobicContact CB-CG 4.44Å; L7-K79 VanDerWaalsContact CD2-NZ 3.26Å
8A64.8Low60.3Low28 Ų2888.3 Ų88.323%0.23147%0.474CS..PPolyproline II helixtrans-55.7134.6173.600000110.8E26 S29 R30A8-E26 HydrophobicContact CB-CG 4.39Å; A8-S29 PolarHBondContact N-OG 3.19Å; A8-S29 VanDerWaalsContact N-OG 3.15Å; A8-R30 VanDerWaalsContact O-CZ 3.28Å; A8-R30 PolarHBondContact O-NE 2.98Å; A8-R30 PolarHBondContact O-NH2 3.5Å
9V69.3Low60.8Low81 Ų8191.9 Ų91.949%0.49149%0.485SS..PPolyproline II helixtrans-78.4129.1179.4-179.10000109L7L7-V9 PolarHBondContact O-N 3.14Å
10Q69.5Low61.4Low12 Ų1288.3 Ų88.36%0.05647%0.466CS..PPolyproline II helixtrans-90.8117.7173.7-77.5-176.5-10.500109.8E26 A322 Y323Q10-E26 HydrophobicContact CG-CB 4.33Å; Q10-E26 PolarHBondContact NE2-O 3.25Å; Q10-A322 HydrophobicContact CB-CB 3.96Å; Q10-Y323 HydrophobicContact CB-CD1 4.09Å; Q10-Y323 HydrophobicContact CB-CE1 3.58Å; Q10-Y323 HydrophobicContact CG-CD1 4.34Å; Q10-Y323 HydrophobicContact CG-CE1 3.6Å; Q10-Y323 PolarHBondContact OE1-O 2.92Å
11N71.1Confident62Low72 Ų7287.8 Ų87.839%0.38547%0.467SS..PPolyproline II helixtrans-102.1121.9172.8-74-18.9000110.1E13 E14N11-E13 VanDerWaalsContact C-N 3.34Å; N11-E14 HydrophobicContact CB-CB 4.35Å; N11-E14 PolarHBondContact ND2-OE2 2.85Å
12V66.5Low63.9Low51 Ų5177.7 Ų77.731%0.30942%0.418SS..SBendtrans-74-28.2-179.4-174.20000112.1L15 K281 A322V12-L15 WeakPolarHBondContact O-CB 3.46Å; V12-K281 HydrophobicContact CG1-CD 3.87Å; V12-K281 HydrophobicContact CG1-CG 4.39Å; V12-A322 HydrophobicContact CG2-CB 3.53Å
13E64.1Low65.6Low199 Ų19976.1 Ų76.193%0.9340%0.403SS*.SBendtrans-78.1-35.3-174.4-62.4-175.5170.600112.9N11 L15N11-E13 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.9Å
14E64Low67Low148 Ų14874.3 Ų74.369%0.69240%0.395SS*.SBendtrans-85.85178.7-64.1175.1150.100112.7N11 D16N11-E14 HydrophobicContact CB-CB 4.35Å; N11-E14 PolarHBondContact ND2-OE2 2.85Å; E14-D16 PolarHBondContact O-N 3.49Å; E14-D16 VanDerWaalsContact O-N 3.09Å
15L64.9Low68.3Low21 Ų2169.2 Ų69.211%0.1138%0.382CS..  trans-76.399.2-169.2-170.1105.8000113.1V12 E13 V17 L20 Y323V12-L15 WeakPolarHBondContact O-CB 3.46Å; E13-L15 PolarHBondContact O-N 2.9Å; L15-V17 HydrophobicContact CD2-CG2 3.69Å; L15-V17 PolarHBondContact O-N 3.28Å; L15-L20 HydrophobicContact CD1-CD1 3.74Å; L15-L20 HydrophobicContact CD1-CD2 4.36Å; L15-L20 HydrophobicContact CD2-CD1 4.09Å; L15-L20 HydrophobicContact CG-CD1 3.87Å; L15-Y323 HydrophobicContact CD1-CD1 3.48Å; L15-Y323 VanDerWaalsContact CD1-CD1 3.48Å; L15-Y323 HydrophobicContact CD1-CD2 3.72Å; L15-Y323 HydrophobicContact CD1-CE1 3.24Å; L15-Y323 HydrophobicContact CD1-CE2 3.5Å; L15-Y323 VanDerWaalsContact CD1-CE2 3.5Å; L15-Y323 HydrophobicContact CD1-CG 3.71Å
16D70.6Confident69.4Low85 Ų8567.8 Ų67.846%0.45538%0.38SS..  trans-83.493.9168.5-110.1-12.7000111.1E14 S18 K19 L20E14-D16 PolarHBondContact O-N 3.49Å; E14-D16 VanDerWaalsContact O-N 3.09Å; D16-S18 PolarHBondContact O-N 3.06Å; D16-K19 HydrophobicContact CB-CB 4.33Å; D16-K19 HydrophobicContact CB-CD 4.18Å; D16-K19 HydrophobicContact CB-CG 4.4Å; D16-K19 PolarHBondContact O-N 2.84Å; D16-K19 WeakPolarHBondContact OD2-CE 3.27Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.29Å; D16-L20 PolarHBondContact O-N 2.84Å
17V70.9Confident70.5Confident42 Ų4265.4 Ų65.426%0.25536%0.355SS..THydrogen-bonded Turntrans-55.6-29.1-177.1-175.30000113L15 F242 T243 V279L15-V17 HydrophobicContact CD2-CG2 3.69Å; L15-V17 PolarHBondContact O-N 3.28Å; V17-F242 HydrophobicContact CG1-CB 4.04Å; V17-F242 WeakPolarHBondContact CG1-O 3.47Å; V17-T243 HydrophobicContact CG1-CG2 4.41Å; V17-V279 HydrophobicContact CG1-CG2 4.27Å
18S69.2Low71.5Confident93 Ų9365.4 Ų65.465%0.6536%0.355SS*.THydrogen-bonded Turntrans-73.5-28.1-179.756.80000114.1D16D16-S18 PolarHBondContact O-N 3.06Å
19K70.4Confident72.3Confident157 Ų15764.1 Ų64.168%0.68334%0.344SS*.THydrogen-bonded Turntrans-93.4-12.8179.4-66.5175.1-173.9147.70112.6D16 T21D16-K19 HydrophobicContact CB-CB 4.33Å; D16-K19 HydrophobicContact CB-CD 4.18Å; D16-K19 HydrophobicContact CB-CG 4.4Å; D16-K19 PolarHBondContact O-N 2.84Å; D16-K19 WeakPolarHBondContact OD2-CE 3.27Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.29Å; K19-T21 PolarHBondContact O-N 3.3Å
20L71.3Confident73Confident19 Ų1961 Ų6110%0.09932%0.324CS..  trans-64126.7177.8-71.5175.9000110.3L15 D16 F242 Y323L15-L20 HydrophobicContact CD1-CD1 3.74Å; L15-L20 HydrophobicContact CD1-CD2 4.36Å; L15-L20 HydrophobicContact CD2-CD1 4.09Å; L15-L20 HydrophobicContact CG-CD1 3.87Å; D16-L20 PolarHBondContact O-N 2.84Å; L20-F242 WeakPolarHBondContact O-CD2 3.46Å; L20-Y323 HydrophobicContact CD1-CE2 4.34Å
21T74.7Confident73.8Confident78 Ų7860.5 Ų60.548%0.47932%0.321SS..  trans-117.3157.716760.80000108.8K19 L23 S24K19-T21 PolarHBondContact O-N 3.3Å; T21-L23 PolarHBondContact O-N 3.37Å; T21-S24 WeakPolarHBondContact O-CB 3.44Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 2.85Å; T21-S24 PolarHBondContact OG1-N 2.89Å
22A71.3Confident74.7Confident6 Ų657.1 Ų57.15%0.0530%0.304CS..THydrogen-bonded Turntrans-59.1-13.5172.100000113.1I28 T33 V237 F242A22-I28 WeakPolarHBondContact O-CG1 3.39Å; A22-T33 HydrophobicContact CB-CG2 4.2Å; A22-T33 WeakPolarHBondContact O-CG2 3.28Å; A22-T33 PolarHBondContact O-OG1 2.96Å; A22-V237 HydrophobicContact CB-CG1 3.62Å; A22-F242 HydrophobicContact CB-CZ 4.15Å
23L74.2Confident75.7Confident83 Ų8354.8 Ų54.844%0.43529%0.289SS..THydrogen-bonded Turntrans-100.94.4176.2-66.1178000114.3T21 I28 V237T21-L23 PolarHBondContact O-N 3.37Å; L23-I28 VanDerWaalsContact CA-CD1 3.46Å; L23-I28 HydrophobicContact CB-CD1 4.03Å; L23-I28 HydrophobicContact CD2-CD1 3.61Å; L23-I28 HydrophobicContact CD2-CG1 4.45Å; L23-I28 HydrophobicContact CG-CD1 4.43Å; L23-I28 WeakPolarHBondContact O-CD1 3.24Å; L23-V237 HydrophobicContact CD1-CG2 3.93Å; L23-V237 HydrophobicContact CD2-CG2 3.86Å; L23-V237 HydrophobicContact CG-CG2 3.91Å
24S78Confident77Confident17 Ų1745.4 Ų45.412%0.11925%0.245CC..  trans-60.5136.7175.652.80000110.4T21 E26 V27 I28T21-S24 WeakPolarHBondContact O-CB 3.44Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 2.85Å; T21-S24 PolarHBondContact OG1-N 2.89Å; S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.48Å; S24-V27 PolarHBondContact O-N 3.42Å; S24-V27 VanDerWaalsContact OG-CB 3.32Å; S24-V27 WeakPolarHBondContact OG-CB 3.31Å; S24-V27 WeakPolarHBondContact OG-CG2 3.49Å; S24-I28 PolarHBondContact O-N 3.03Å
25P74.6Confident78.3Confident97 Ų9738.4 Ų38.463%0.6321%0.213SC*.Hα-helixtrans-59.2-38.5-172.621.5-32.4000112.2V27 S29P25-V27 PolarHBondContact O-N 2.91Å; P25-S29 WeakPolarHBondContact O-CB 3.43Å; P25-S29 PolarHBondContact O-N 2.95Å
26E77.4Confident79.7Confident74 Ų7437.4 Ų37.435%0.34621%0.207SC..Hα-helixtrans-62.1-29.1176.4-64.6171.6-155.200113.6A8 Q10 S24 Y323A8-E26 HydrophobicContact CB-CG 4.39Å; Q10-E26 HydrophobicContact CG-CB 4.33Å; Q10-E26 PolarHBondContact NE2-O 3.25Å; S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 3.48Å; E26-Y323 PolarHBondContact OE2-OH 3.38Å
27V81.7Confident80.7Confident1 Ų133.3 Ų33.31%0.00619%0.186CC..Hα-helixtrans-86.7-56.2179.3172.50000110.4S24 P25 S29 R30 Q31 T33 Y323 V325S24-V27 PolarHBondContact O-N 3.42Å; S24-V27 VanDerWaalsContact OG-CB 3.32Å; S24-V27 WeakPolarHBondContact OG-CB 3.31Å; S24-V27 WeakPolarHBondContact OG-CG2 3.49Å; P25-V27 PolarHBondContact O-N 2.91Å; V27-S29 PolarHBondContact O-N 2.74Å; V27-R30 PolarHBondContact O-N 3.03Å; V27-Q31 PolarHBondContact O-N 2.83Å; V27-Q31 VanDerWaalsContact O-O 3.11Å; V27-T33 HydrophobicContact CG1-CG2 3.53Å; V27-Y323 HydrophobicContact CG2-CE2 3.96Å; V27-V325 HydrophobicContact CG1-CG1 4.44Å; V27-V325 HydrophobicContact CG1-CG2 3.43Å; V27-V325 VanDerWaalsContact CG1-CG2 3.43Å; V27-V325 HydrophobicContact CG2-CG1 3.95Å; V27-V325 HydrophobicContact CG2-CG2 4.45Å
28I83Confident81.8Confident10 Ų1031.3 Ų31.35%0.05117%0.174CC..Hα-helixtrans-59.4-36.1-177.2-49.9-178.9000110.2A22 L23 S24 R30 L118 H121A22-I28 WeakPolarHBondContact O-CG1 3.39Å; L23-I28 VanDerWaalsContact CA-CD1 3.46Å; L23-I28 HydrophobicContact CB-CD1 4.03Å; L23-I28 HydrophobicContact CD2-CD1 3.61Å; L23-I28 HydrophobicContact CD2-CG1 4.45Å; L23-I28 HydrophobicContact CG-CD1 4.43Å; L23-I28 WeakPolarHBondContact O-CD1 3.24Å; S24-I28 PolarHBondContact O-N 3.03Å; I28-R30 PolarHBondContact O-N 3.24Å; I28-L118 HydrophobicContact CB-CD2 3.97Å; I28-L118 HydrophobicContact CG2-CD1 4.46Å; I28-L118 HydrophobicContact CG2-CD2 3.47Å; I28-L118 VanDerWaalsContact CG2-CD2 3.47Å; I28-L118 HydrophobicContact CG2-CG 3.82Å; I28-H121 HydrophobicContact CG2-CB 3.58Å; I28-H121 WeakPolarHBondContact O-CB 3.22Å; I28-H121 PolarHBondContact O-ND1 3.48Å
29S81.3Confident82.8Confident0 Ų026.9 Ų26.90%014%0.143CC..Hα-helixtrans-56.8-46.6179.6179.20000112.5L7 A8 P25 V27 K79 D103L7-S29 WeakPolarHBondContact CD2-OG 3.34Å; A8-S29 PolarHBondContact N-OG 3.19Å; A8-S29 VanDerWaalsContact N-OG 3.15Å; P25-S29 WeakPolarHBondContact O-CB 3.43Å; P25-S29 PolarHBondContact O-N 2.95Å; V27-S29 PolarHBondContact O-N 2.74Å; S29-K79 WeakPolarHBondContact O-CE 3.5Å; S29-K79 PolarHBondContact O-NZ 3.07Å; S29-D103 WeakPolarHBondContact CA-OD1 3.3Å; S29-D103 WeakPolarHBondContact CB-OD2 3.37Å; S29-D103 PolarHBondContact OG-OD1 3.14Å; S29-D103 VanDerWaalsContact OG-OD1 3.08Å; S29-D103 PolarHBondContact OG-OD2 3.49Å
30R83.3Confident83.7Confident17 Ų1719.4 Ų19.46%0.06411%0.11CC..Hα-helixtrans-101.2-33.3-172-59.4-169.7179.2-122.7-15114.1D3 L7 A8 V27 I28 N319 D320 L321D3-R30 IonicContact OD2-CZ 3.33Å; D3-R30 IonicContact OD2-NH1 2.96Å; D3-R30 PolarHBondContact OD2-NH1 3.38Å; D3-R30 IonicContact OD2-NH2 2.77Å; D3-R30 PolarHBondContact OD2-NH2 3.39Å; L7-R30 HydrophobicContact CB-CG 4.44Å; A8-R30 VanDerWaalsContact O-CZ 3.28Å; A8-R30 PolarHBondContact O-NE 2.98Å; A8-R30 PolarHBondContact O-NH2 3.5Å; V27-R30 PolarHBondContact O-N 3.03Å; I28-R30 PolarHBondContact O-N 3.24Å; R30-N319 PolarHBondContact O-ND2 3.4Å; R30-N319 VanDerWaalsContact O-ND2 3.09Å; R30-D320 WeakPolarHBondContact CD-O 3.16Å; R30-D320 PolarHBondContact NH1-O 2.93Å; R30-L321 HydrophobicContact CB-CD2 3.37Å; R30-L321 HydrophobicContact CG-CD2 4.4Å
31Q88.1Confident84.5Confident1 Ų119.8 Ų19.81%0.00511%0.111CC..SBendtrans-123.6135.9-168.6-167.1-170.7-30.500111.6V27 H121 A316 L321 V325 G327V27-Q31 PolarHBondContact O-N 2.83Å; V27-Q31 VanDerWaalsContact O-O 3.11Å; Q31-H121 PolarHBondContact O-ND1 3Å; Q31-A316 HydrophobicContact CG-CB 4.4Å; Q31-L321 HydrophobicContact CB-CD1 4.28Å; Q31-L321 HydrophobicContact CB-CD2 4.1Å; Q31-L321 HydrophobicContact CG-CD1 4.12Å; Q31-V325 PolarHBondContact NE2-O 3.02Å; Q31-G327 PolarHBondContact NE2-O 3.35Å
32A88.8Confident85Confident1 Ų118.5 Ų18.51%0.00810%0.103CC..  trans-67.9137.6168.500000110.8H121 G327 G328A32-H121 WeakPolarHBondContact CA-O 3.49Å; A32-H121 PolarHBondContact N-ND1 2.92Å; A32-G327 CarbonylContact O-C 3.57Å; A32-G328 WeakPolarHBondContact O-CA 3.49Å; A32-G328 PolarHBondContact O-N 3.25Å; A32-G328 VanDerWaalsContact O-N 3.16Å
33T87.6Confident85.5Confident1 Ų120.3 Ų20.31%0.00612%0.118CC..  trans-115.96.5-179.558.80000112.6A22 V27 H121 R240 V325A22-T33 HydrophobicContact CB-CG2 4.2Å; A22-T33 WeakPolarHBondContact O-CG2 3.28Å; A22-T33 PolarHBondContact O-OG1 2.96Å; V27-T33 HydrophobicContact CG1-CG2 3.53Å; T33-H121 PolarHBondContact N-O 3.26Å; T33-R240 PolarHBondContact O-NH1 3.06Å; T33-R240 PolarHBondContact O-NH2 2.81Å; T33-V325 HydrophobicContact CG2-CG2 4.44Å
34I91.4Very high86.2Confident2 Ų216.4 Ų16.41%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-139.5128.4177.4-52.9178.1000108.2I36 V122 S123 D145 I235I34-I36 HydrophobicContact CG2-CG1 4.03Å; I34-V122 HydrophobicContact CB-CG1 4.23Å; I34-V122 CarbonylContact O-C 3.58Å; I34-V122 WeakPolarHBondContact O-CA 3.45Å; I34-S123 PolarHBondContact O-N 2.98Å; I34-D145 HydrophobicContact CG2-CB 4.2Å; I34-I235 HydrophobicContact CG2-CG2 4.17Å
35N92.3Very high86.6Confident1 Ų116.2 Ų16.21%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-97.6116.9175.8-67.5-32.1000109.5S123 V143 D145 A146 S274 G328N35-S123 CarbonylContact C-O 3.48Å; N35-S123 WeakPolarHBondContact CA-O 3.37Å; N35-S123 WeakPolarHBondContact OD1-CB 3.46Å; N35-S123 PolarHBondContact OD1-OG 3.39Å; N35-V143 WeakPolarHBondContact CB-O 3.5Å; N35-V143 WeakPolarHBondContact ND2-CG1 3.48Å; N35-V143 PolarHBondContact ND2-O 2.81Å; N35-V143 VanDerWaalsContact ND2-O 3.11Å; N35-D145 PolarHBondContact N-OD2 2.88Å; N35-D145 PolarHBondContact O-N 2.82Å; N35-A146 PolarHBondContact O-N 2.79Å; N35-S274 PolarHBondContact ND2-OG 3.16Å; N35-S274 VanDerWaalsContact ND2-OG 3.12Å; N35-G328 VanDerWaalsContact OD1-C 3.3Å; N35-G328 WeakPolarHBondContact OD1-CA 3.41Å; N35-G328 PolarHBondContact OD1-N 2.97Å; N35-G328 VanDerWaalsContact OD1-N 3.16Å; N35-G328 PolarHBondContact OD1-O 3.09Å
36I93.7Very high87.4Confident0 Ų011.9 Ų11.90%07%0.069CC..EExtended strand (participates in β ladder)trans-113.1116.8179.2-56.4179.9000108.4I34 V122 S123 F124 V125 A146 L148 I231 I235I34-I36 HydrophobicContact CG2-CG1 4.03Å; I36-V122 HydrophobicContact CD1-CB 3.99Å; I36-V122 HydrophobicContact CD1-CG1 3.98Å; I36-V122 HydrophobicContact CD1-CG2 4.41Å; I36-S123 PolarHBondContact N-O 2.54Å; I36-F124 HydrophobicContact CB-CD1 3.9Å; I36-F124 HydrophobicContact CB-CE1 3.94Å; I36-F124 HydrophobicContact CD1-CE1 4.17Å; I36-F124 HydrophobicContact CG2-CD1 4.06Å; I36-F124 HydrophobicContact CG2-CE1 3.91Å; I36-F124 CarbonylContact O-C 3.49Å; I36-F124 VanDerWaalsContact O-CA 3.25Å; I36-F124 WeakPolarHBondContact O-CA 3.42Å; I36-V125 PolarHBondContact O-N 3.08Å; I36-A146 CarbonylContact C-O 3.6Å; I36-A146 WeakPolarHBondContact CA-O 3.5Å; I36-A146 HydrophobicContact CG1-CB 4.5Å; I36-L148 HydrophobicContact CG2-CD1 3.88Å; I36-L148 HydrophobicContact CG2-CD2 4.23Å; I36-L148 HydrophobicContact CG2-CG 3.57Å; I36-I231 HydrophobicContact CD1-CD1 4.21Å; I36-I231 HydrophobicContact CD1-CG1 4.21Å; I36-I231 HydrophobicContact CD1-CG2 3.71Å; I36-I235 HydrophobicContact CD1-CD1 3.94Å; I36-I235 HydrophobicContact CG1-CD1 4.41Å
37G92.6Very high88Confident0 Ų09.4 Ų9.40%06%0.059CC..EExtended strand (participates in β ladder)trans-87.2141.4176.100000113.3V125 M144 A146 A147 L148G37-V125 CarbonylContact C-O 3.57Å; G37-V125 WeakPolarHBondContact CA-O 3.37Å; G37-M144 VanDerWaalsContact CA-CE 3.49Å; G37-M144 VanDerWaalsContact CA-SD 3.56Å; G37-A146 PolarHBondContact N-O 2.87Å; G37-A147 CarbonylContact O-C 3.56Å; G37-A147 WeakPolarHBondContact O-CA 3.47Å; G37-L148 PolarHBondContact O-N 2.84Å
38T92.9Very high88.4Confident0 Ų011.5 Ų11.50%07%0.072CC..EExtended strand (participates in β ladder)trans-98.9123.9167.461.90000110.5V50 V125 D126 C127 L148 L150T38-V50 HydrophobicContact CG2-CG2 3.53Å; T38-V125 PolarHBondContact N-O 2.91Å; T38-D126 WeakPolarHBondContact OG1-CA 3.41Å; T38-D126 PolarHBondContact OG1-OD1 2.74Å; T38-C127 WeakPolarHBondContact O-CB 3.3Å; T38-C127 PolarHBondContact O-N 2.86Å; T38-L148 HydrophobicContact CG2-CB 4.33Å; T38-L148 HydrophobicContact CG2-CD1 4.28Å; T38-L150 HydrophobicContact CG2-CD1 4.14Å
39I91.4Very high88.8Confident0 Ų011.2 Ų11.20%07%0.071CC..EExtended strand (participates in β ladder)trans-122.1154-179.462.4175.9000110.5M137 A147 L148 L149 L150 H165 V169I39-M137 HydrophobicContact CB-CE 4.36Å; I39-M137 HydrophobicContact CG2-CE 3.51Å; I39-A147 HydrophobicContact CD1-CB 4.05Å; I39-A147 HydrophobicContact CG1-CB 4.49Å; I39-L148 WeakPolarHBondContact CG1-O 3.42Å; I39-L148 PolarHBondContact N-O 3.23Å; I39-L149 HydrophobicContact CD1-CB 4.17Å; I39-L149 HydrophobicContact CD1-CD1 3.92Å; I39-L149 HydrophobicContact CG1-CB 4.08Å; I39-L149 HydrophobicContact CG1-CD1 3.74Å; I39-L150 PolarHBondContact O-N 3.48Å; I39-H165 HydrophobicContact CB-CB 4.11Å; I39-V169 HydrophobicContact CD1-CB 4.4Å; I39-V169 HydrophobicContact CD1-CG2 3.56Å; I39-V169 HydrophobicContact CG2-CG2 4.21Å
40G89.3Confident89.3Confident0 Ų011.2 Ų11.20%07%0.071CC..SBendtrans140.2176.2-179.200000113.4K46 H165G40-K46 PolarHBondContact O-NZ 2.78Å; G40-H165 PolarHBondContact N-ND1 2.79Å; G40-H165 PolarHBondContact O-CE1 2.97Å; G40-H165 PolarHBondContact O-ND1 3.31Å
41H88.2Confident89.5Confident26 Ų2616.7 Ų16.712%0.129%0.092CC..  trans-64.9160-178.4-168.558.4000112.9A43 H44 K46 E155 Q159 Q161H41-A43 VanDerWaalsContact C-N 3.29Å; H41-A43 PolarHBondContact O-N 3.32Å; H41-H44 VanDerWaalsContact CB-CE1 3.46Å; H41-H44 WeakPolarHBondContact CB-CE1 3.33Å; H41-H44 WeakPolarHBondContact CB-NE2 3.28Å; H41-H44 PolarHBondContact N-ND1 2.82Å; H41-H44 VanDerWaalsContact N-ND1 3.16Å; H41-H44 WeakPolarHBondContact O-CB 3.37Å; H41-H44 PolarHBondContact O-N 3.42Å; H41-K46 VanDerWaalsContact C-NZ 3.32Å; H41-K46 PolarHBondContact O-NZ 2.92Å; H41-E155 IonicContact CD2-OE2 3.51Å; H41-Q159 HydrophobicContact CB-CB 4.33Å; H41-Q161 PolarHBondContact CE1-OE1 3.45Å; H41-Q161 PolarHBondContact ND1-OE1 2.96Å
42V83.6Confident89.6Confident51 Ų5117.1 Ų17.131%0.30910%0.095SC..G310 helixtrans-53.1-46.1-177.9-176.10000111.5H44 I69 G129 H130V42-H44 VanDerWaalsContact C-N 3.29Å; V42-H44 PolarHBondContact O-N 3.21Å; V42-I69 HydrophobicContact CG1-CG2 3.68Å; V42-G129 VanDerWaalsContact CG2-O 3.24Å; V42-G129 WeakPolarHBondContact CG2-O 3.44Å; V42-H130 HydrophobicContact CG2-CB 3.9Å
43A82.4Confident89.6Confident44 Ų4417.2 Ų17.236%0.36410%0.096SC..G310 helixtrans-81.1-1.3-174.300000114.6H41 G45 E155 K183H41-A43 VanDerWaalsContact C-N 3.29Å; H41-A43 PolarHBondContact O-N 3.32Å; A43-G45 VanDerWaalsContact C-N 3.26Å; A43-G45 PolarHBondContact O-N 3.07Å; A43-E155 VanDerWaalsContact CB-OE1 3.31Å; A43-E155 WeakPolarHBondContact CB-OE1 3.28Å; A43-K183 WeakPolarHBondContact O-CE 3.46Å; A43-K183 PolarHBondContact O-NZ 3.01Å
44H88.9Confident89.5Confident2 Ų217.2 Ų17.21%0.00910%0.095CC..G310 helixtrans-75.1-8.4-175.6-66.3-176.9000115.2H41 V42 L150 A152 E155 T162 N182H41-H44 VanDerWaalsContact CB-CE1 3.46Å; H41-H44 WeakPolarHBondContact CB-CE1 3.33Å; H41-H44 WeakPolarHBondContact CB-NE2 3.28Å; H41-H44 PolarHBondContact N-ND1 2.82Å; H41-H44 VanDerWaalsContact N-ND1 3.16Å; H41-H44 WeakPolarHBondContact O-CB 3.37Å; H41-H44 PolarHBondContact O-N 3.42Å; V42-H44 VanDerWaalsContact C-N 3.29Å; V42-H44 PolarHBondContact O-N 3.21Å; H44-L150 HydrophobicContact CB-CB 4.09Å; H44-L150 PolarHBondContact ND1-O 3.38Å; H44-A152 HydrophobicContact CB-CB 4.41Å; H44-A152 VanDerWaalsContact CD2-CB 3.45Å; H44-A152 WeakPolarHBondContact CD2-CB 3.3Å; H44-A152 PolarHBondContact CD2-N 2.77Å; H44-E155 IonicContact CD2-OE2 3.87Å; H44-E155 PolarHBondContact CD2-OE2 2.81Å; H44-E155 IonicContact NE2-OE2 2.73Å; H44-E155 PolarHBondContact NE2-OE2 2.63Å; H44-T162 PolarHBondContact CE1-OG1 2.82Å; H44-T162 VanDerWaalsContact CE1-OG1 3.26Å; H44-N182 PolarHBondContact O-ND2 3.3Å
45G87.3Confident89Confident12 Ų1221 Ų2112%0.12412%0.119CC..  trans80.635.9176.700000114.6A43 T48 V49 L150A43-G45 VanDerWaalsContact C-N 3.26Å; A43-G45 PolarHBondContact O-N 3.07Å; G45-T48 WeakPolarHBondContact O-CB 3.46Å; G45-T48 PolarHBondContact O-N 2.86Å; G45-V49 PolarHBondContact O-N 3.17Å; G45-L150 WeakPolarHBondContact O-CD2 3.39Å
46K90.7Very high88.3Confident7 Ų722.5 Ų22.53%0.0313%0.128CC..Hα-helixtrans-53.4-58.1177.1-64.6-173.2-66.6-71.50112.2G40 H41 T48 V49 V50 C127 L150G40-K46 PolarHBondContact O-NZ 2.78Å; H41-K46 VanDerWaalsContact C-NZ 3.32Å; H41-K46 PolarHBondContact O-NZ 2.92Å; K46-T48 PolarHBondContact O-N 2.64Å; K46-V49 PolarHBondContact O-N 3.25Å; K46-V49 VanDerWaalsContact O-N 3.1Å; K46-V50 PolarHBondContact O-N 2.9Å; K46-C127 WeakPolarHBondContact CE-O 3.38Å; K46-L150 HydrophobicContact CB-CD2 4.43Å; K46-L150 HydrophobicContact CG-CB 4.38Å; K46-L150 HydrophobicContact CG-CD1 4.23Å; K46-L150 HydrophobicContact CG-CD2 4.22Å
47T89.6Confident87.4Confident22 Ų2226.3 Ų26.314%0.13515%0.146CC..Hα-helixtrans-57-36.9175.5-51.10000112.6V50 R51 T58 I59 T70 D126T47-V50 PolarHBondContact O-N 3.17Å; T47-R51 WeakPolarHBondContact O-CB 3.13Å; T47-R51 PolarHBondContact O-N 3.12Å; T47-T58 WeakPolarHBondContact CG2-OG1 3.34Å; T47-I59 HydrophobicContact CG2-CD1 3.8Å; T47-I59 HydrophobicContact CG2-CG1 3.94Å; T47-T70 WeakPolarHBondContact OG1-CG2 3.38Å; T47-D126 VanDerWaalsContact CA-OD2 3.28Å; T47-D126 WeakPolarHBondContact CA-OD2 3.3Å; T47-D126 VanDerWaalsContact CB-OD2 3.28Å; T47-D126 WeakPolarHBondContact CB-OD2 3.37Å; T47-D126 PolarHBondContact OG1-OD2 3.29Å
48T90.3Very high86.2Confident45 Ų4526.5 Ų26.528%0.27615%0.147SC..Hα-helixtrans-65.1-42.6177.4-47.10000111.4G45 K46 R51 A52 A218G45-T48 WeakPolarHBondContact O-CB 3.46Å; G45-T48 PolarHBondContact O-N 2.86Å; K46-T48 PolarHBondContact O-N 2.64Å; T48-R51 PolarHBondContact O-N 3.33Å; T48-A52 VanDerWaalsContact O-CB 3.26Å; T48-A52 WeakPolarHBondContact O-CB 3.49Å; T48-A52 PolarHBondContact O-N 2.77Å; T48-A218 HydrophobicContact CG2-CB 3.73Å
49V91.7Very high85Confident4 Ų427.5 Ų27.52%0.02415%0.152CC..Hα-helixtrans-63.7-46.6175.3170.90000110.9G45 K46 R51 A52 I53 L150 L180 I216 A218G45-V49 PolarHBondContact O-N 3.17Å; K46-V49 PolarHBondContact O-N 3.25Å; K46-V49 VanDerWaalsContact O-N 3.1Å; V49-R51 VanDerWaalsContact C-N 3.3Å; V49-R51 PolarHBondContact O-N 2.76Å; V49-A52 PolarHBondContact O-N 2.87Å; V49-I53 HydrophobicContact CG1-CD1 3.8Å; V49-I53 WeakPolarHBondContact O-CG1 3.41Å; V49-I53 PolarHBondContact O-N 3.4Å; V49-L150 HydrophobicContact CB-CD2 3.96Å; V49-L150 HydrophobicContact CG2-CD2 3.4Å; V49-L150 HydrophobicContact CG2-CG 4.34Å; V49-L180 HydrophobicContact CG1-CD1 4.01Å; V49-I216 HydrophobicContact CG1-CD1 4.5Å; V49-I216 HydrophobicContact CG2-CD1 3.69Å; V49-A218 HydrophobicContact CB-CB 4.35Å; V49-A218 HydrophobicContact CG2-CB 3.47Å; V49-A218 VanDerWaalsContact CG2-CB 3.47Å
50V90.9Very high83.9Confident0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-58.4-45.8177.7178.10000110.4T38 K46 T47 A52 I53 S54 T58 A76 F124 D126T38-V50 HydrophobicContact CG2-CG2 3.53Å; K46-V50 PolarHBondContact O-N 2.9Å; T47-V50 PolarHBondContact O-N 3.17Å; V50-A52 VanDerWaalsContact C-N 3.29Å; V50-A52 PolarHBondContact O-N 3.3Å; V50-I53 PolarHBondContact O-N 2.88Å; V50-S54 WeakPolarHBondContact O-CB 3.49Å; V50-S54 PolarHBondContact O-N 3.13Å; V50-S54 PolarHBondContact O-OG 2.73Å; V50-T58 HydrophobicContact CB-CG2 4.36Å; V50-T58 HydrophobicContact CG1-CG2 3.58Å; V50-A76 HydrophobicContact CG1-CB 3.51Å; V50-F124 HydrophobicContact CG1-CB 3.77Å; V50-F124 HydrophobicContact CG1-CD2 4.48Å; V50-F124 HydrophobicContact CG1-CG 4.28Å; V50-F124 HydrophobicContact CG2-CB 4.08Å; V50-F124 HydrophobicContact CG2-CG 4.44Å; V50-D126 HydrophobicContact CG2-CB 4.26Å
51R89.1Confident82.7Confident132 Ų13238.7 Ų38.750%0.49820%0.197SC..Hα-helixtrans-61.2-37.8175.1-173.8-169.1-175.3173.7-1.3112.3T47 T48 V49 T55 V56 H57T47-R51 WeakPolarHBondContact O-CB 3.13Å; T47-R51 PolarHBondContact O-N 3.12Å; T48-R51 PolarHBondContact O-N 3.33Å; V49-R51 VanDerWaalsContact C-N 3.3Å; V49-R51 PolarHBondContact O-N 2.76Å; R51-T55 WeakPolarHBondContact O-CA 3.27Å; R51-T55 PolarHBondContact O-N 2.83Å; R51-V56 WeakPolarHBondContact CA-O 3.28Å; R51-H57 WeakPolarHBondContact CD-ND1 3.23Å
52A88.5Confident81.5Confident10 Ų1045.7 Ų45.78%0.08323%0.227CC..Hα-helixtrans-71.2-32.9-175.900000112.5T48 V49 V50 A218 K221 I224T48-A52 VanDerWaalsContact O-CB 3.26Å; T48-A52 WeakPolarHBondContact O-CB 3.49Å; T48-A52 PolarHBondContact O-N 2.77Å; V49-A52 PolarHBondContact O-N 2.87Å; V50-A52 VanDerWaalsContact C-N 3.29Å; V50-A52 PolarHBondContact O-N 3.3Å; A52-A218 WeakPolarHBondContact CB-O 3.3Å; A52-K221 HydrophobicContact CB-CG 4.32Å; A52-I224 HydrophobicContact CB-CD1 3.3Å
53I89.1Confident80.7Confident3 Ų348.5 Ų48.52%0.01524%0.241CC..Hα-helixtrans-84-53176.2-59.8168.4000111.5V49 V50 A78 S96 F124 I224 V227V49-I53 HydrophobicContact CG1-CD1 3.8Å; V49-I53 WeakPolarHBondContact O-CG1 3.41Å; V49-I53 PolarHBondContact O-N 3.4Å; V50-I53 PolarHBondContact O-N 2.88Å; I53-A78 HydrophobicContact CG2-CB 4.01Å; I53-S96 WeakPolarHBondContact O-CB 3.46Å; I53-S96 PolarHBondContact O-OG 3.46Å; I53-F124 HydrophobicContact CB-CE2 4.13Å; I53-F124 HydrophobicContact CB-CZ 4.34Å; I53-F124 HydrophobicContact CD1-CE1 4.34Å; I53-F124 HydrophobicContact CD1-CE2 4.49Å; I53-F124 HydrophobicContact CD1-CZ 3.89Å; I53-F124 HydrophobicContact CG2-CE2 3.57Å; I53-F124 HydrophobicContact CG2-CZ 3.77Å; I53-I224 HydrophobicContact CG1-CG2 3.9Å; I53-V227 HydrophobicContact CD1-CG1 4.13Å
54S85.9Confident80Confident0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-81.9-16.5-173.966.30000114.1V50 V56 A76 N77 G98V50-S54 WeakPolarHBondContact O-CB 3.49Å; V50-S54 PolarHBondContact O-N 3.13Å; V50-S54 PolarHBondContact O-OG 2.73Å; S54-V56 PolarHBondContact O-N 3.06Å; S54-V56 PolarHBondContact OG-N 3.04Å; S54-V56 VanDerWaalsContact OG-N 3.14Å; S54-A76 WeakPolarHBondContact OG-CB 3.44Å; S54-N77 WeakPolarHBondContact CB-O 3.41Å; S54-G98 WeakPolarHBondContact O-CA 3.37Å
55T81.3Confident79.2Confident82 Ų8250.7 Ų50.750%0.50325%0.246SC..  trans62.8-4.6-165.769.80000115.3R51R51-T55 WeakPolarHBondContact O-CA 3.27Å; R51-T55 PolarHBondContact O-N 2.83Å
56V78.3Confident78.2Confident33 Ų3356.5 Ų56.520%0.227%0.272CS..  trans-89.2140.8-177.5178.50000110.8R51 S54 A76R51-V56 WeakPolarHBondContact CA-O 3.28Å; S54-V56 PolarHBondContact O-N 3.06Å; S54-V56 PolarHBondContact OG-N 3.04Å; S54-V56 VanDerWaalsContact OG-N 3.14Å; V56-A76 HydrophobicContact CB-CB 3.99Å; V56-A76 HydrophobicContact CG1-CB 4.25Å
57H73Confident77Confident79 Ų7964.6 Ų64.637%0.36630%0.303SS..  trans-86.4115.9169.6-139.548.3000110.1R51R51-H57 WeakPolarHBondContact CD-ND1 3.23Å
58T67.1Low76Confident5 Ų569.8 Ų69.83%0.03133%0.33CS..  trans-77.1-25.8-179.252.50000113T47 V50 R60 A76 D126T47-T58 WeakPolarHBondContact CG2-OG1 3.34Å; V50-T58 HydrophobicContact CB-CG2 4.36Å; V50-T58 HydrophobicContact CG1-CG2 3.58Å; T58-R60 PolarHBondContact O-N 3.42Å; T58-A76 HydrophobicContact CG2-CB 3.82Å; T58-D126 HydrophobicContact CG2-CB 4.22Å; T58-D126 PolarHBondContact OG1-OD2 3.2Å
59I69.7Low75Confident21 Ų2169.3 Ų69.311%0.10833%0.325CS..  trans-76.8106.9175.9-62.8166000108.6T47 E64 L65 T70T47-I59 HydrophobicContact CG2-CD1 3.8Å; T47-I59 HydrophobicContact CG2-CG1 3.94Å; I59-E64 HydrophobicContact CG2-CB 3.67Å; I59-L65 HydrophobicContact CG2-CD2 3.59Å; I59-L65 HydrophobicContact CG2-CG 3.84Å; I59-T70 HydrophobicContact CG1-CG2 4.09Å
60R67Low73.7Confident160 Ų16069.6 Ų69.660%0.60433%0.327SS*.  trans-116.9-27.6-177.8-62.7-174-174.1179.74.6113T58T58-R60 PolarHBondContact O-N 3.42Å
61H63.5Low72.5Confident75 Ų7571.7 Ų71.735%0.34734%0.338SS..SBendtrans-84.8141.1-173.8-65.3-70.2000112.1N63 E64 L65H61-N63 VanDerWaalsContact C-N 3.26Å; H61-N63 PolarHBondContact O-N 3.22Å; H61-E64 HydrophobicContact CB-CB 4.38Å; H61-E64 HydrophobicContact CB-CG 3.96Å; H61-E64 IonicContact CD2-OE1 3.14Å; H61-E64 IonicContact CD2-OE2 3.07Å; H61-E64 PolarHBondContact CD2-OE2 3.12Å; H61-E64 IonicContact CG-OE2 2.86Å; H61-E64 PolarHBondContact N-OE2 2.86Å; H61-E64 WeakPolarHBondContact O-CB 3.5Å; H61-E64 PolarHBondContact O-N 3.06Å; H61-L65 PolarHBondContact O-N 3.21Å
62K64Low71.8Confident172 Ų17268.7 Ų68.775%0.74833%0.328SS*.Hα-helixtrans-51.7-43177.7-66.3-175.1179.8-178.30112.8E64 L65 I66K62-E64 VanDerWaalsContact C-N 3.31Å; K62-E64 PolarHBondContact O-N 3.44Å; K62-L65 PolarHBondContact O-N 3.41Å; K62-I66 WeakPolarHBondContact O-CD1 3.5Å; K62-I66 VanDerWaalsContact O-CG1 3.27Å; K62-I66 WeakPolarHBondContact O-CG1 3.43Å; K62-I66 PolarHBondContact O-N 3.02Å
63N65.6Low71.3Confident111 Ų11168.5 Ų68.559%0.59433%0.326SS*.Hα-helixtrans-66.7-31.2179.1-67.9-7.7000113.2H61 R67 I71H61-N63 VanDerWaalsContact C-N 3.26Å; H61-N63 PolarHBondContact O-N 3.22Å; N63-R67 PolarHBondContact O-N 3.27Å; N63-I71 HydrophobicContact CB-CD1 4.17Å
64E69Low70.9Confident5 Ų568.5 Ų68.52%0.02333%0.327CS..Hα-helixtrans-74.5-40.7175.9-63.5175.7154.200110.7I59 H61 K62 I66 R67 N68 I69 I71 K72I59-E64 HydrophobicContact CG2-CB 3.67Å; H61-E64 HydrophobicContact CB-CB 4.38Å; H61-E64 HydrophobicContact CB-CG 3.96Å; H61-E64 IonicContact CD2-OE1 3.14Å; H61-E64 IonicContact CD2-OE2 3.07Å; H61-E64 PolarHBondContact CD2-OE2 3.12Å; H61-E64 IonicContact CG-OE2 2.86Å; H61-E64 PolarHBondContact N-OE2 2.86Å; H61-E64 WeakPolarHBondContact O-CB 3.5Å; H61-E64 PolarHBondContact O-N 3.06Å; K62-E64 VanDerWaalsContact C-N 3.31Å; K62-E64 PolarHBondContact O-N 3.44Å; E64-I66 PolarHBondContact O-N 2.97Å; E64-R67 PolarHBondContact O-N 3Å; E64-N68 WeakPolarHBondContact O-CA 3.18Å; E64-N68 PolarHBondContact O-N 2.68Å; E64-I69 WeakPolarHBondContact CB-O 3.46Å; E64-I69 PolarHBondContact O-N 3.33Å; E64-I71 HydrophobicContact CG-CB 3.81Å; E64-I71 HydrophobicContact CG-CD1 4.01Å; E64-I71 HydrophobicContact CG-CG1 3.88Å; E64-I71 PolarHBondContact OE1-N 3.08Å; E64-I71 VanDerWaalsContact OE1-N 3.14Å; E64-K72 PolarHBondContact OE1-N 2.82Å
65L70.9Confident70.8Confident86 Ų8670.3 Ų70.345%0.4533%0.334SS..Hα-helixtrans-60.6-42.5175-69.5168.1000111.8I59 H61 K62 R67 N68I59-L65 HydrophobicContact CG2-CD2 3.59Å; I59-L65 HydrophobicContact CG2-CG 3.84Å; H61-L65 PolarHBondContact O-N 3.21Å; K62-L65 PolarHBondContact O-N 3.41Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.44Å; L65-N68 PolarHBondContact O-OD1 2.81Å
66I67.7Low71.1Confident134 Ų13466.4 Ų66.469%0.68731%0.31SS*.Hα-helixtrans-63.9-38.8179-68.4162.4000111.4K62 E64K62-I66 WeakPolarHBondContact O-CD1 3.5Å; K62-I66 VanDerWaalsContact O-CG1 3.27Å; K62-I66 WeakPolarHBondContact O-CG1 3.43Å; K62-I66 PolarHBondContact O-N 3.02Å; E64-I66 PolarHBondContact O-N 2.97Å
67R65.9Low71.6Confident177 Ų17765 Ų6567%0.66830%0.301SS*.Hα-helixtrans-94.1-7.4-175.8-63.7-174.1-179.5-171.3-0.5113.8N63 E64 L65 I69N63-R67 PolarHBondContact O-N 3.27Å; E64-R67 PolarHBondContact O-N 3Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.44Å; R67-I69 HydrophobicContact CB-CD1 4.15Å; R67-I69 HydrophobicContact CB-CG1 3.72Å; R67-I69 PolarHBondContact O-N 2.85Å; R67-I69 VanDerWaalsContact O-N 3.16Å
68N68.2Low72.4Confident131 Ų13161.2 Ų61.270%0.70128%0.283SS*.THydrogen-bonded Turntrans49.633-172.4-69.1-41.8000114E64 L65E64-N68 WeakPolarHBondContact O-CA 3.18Å; E64-N68 PolarHBondContact O-N 2.68Å; L65-N68 PolarHBondContact O-OD1 2.81Å
69I69.7Low73.5Confident36 Ų3661 Ų6119%0.18528%0.282CS..SBendtrans-131.3144.3176.262.2178.6000109.8V42 E64 R67 I71V42-I69 HydrophobicContact CG1-CG2 3.68Å; E64-I69 WeakPolarHBondContact CB-O 3.46Å; E64-I69 PolarHBondContact O-N 3.33Å; R67-I69 HydrophobicContact CB-CD1 4.15Å; R67-I69 HydrophobicContact CB-CG1 3.72Å; R67-I69 PolarHBondContact O-N 2.85Å; R67-I69 VanDerWaalsContact O-N 3.16Å; I69-I71 HydrophobicContact CG1-CG1 4.16Å; I69-I71 PolarHBondContact O-N 2.85Å
70T64.2Low74.4Confident9 Ų960 Ų606%0.05528%0.277CS..  trans-69.1119.1168.6430000109T47 I59 D126 P128 L133T47-T70 WeakPolarHBondContact OG1-CG2 3.38Å; I59-T70 HydrophobicContact CG1-CG2 4.09Å; T70-D126 WeakPolarHBondContact CG2-OD2 3.39Å; T70-P128 VanDerWaalsContact O-CB 3.31Å; T70-P128 WeakPolarHBondContact O-CB 3.3Å; T70-P128 WeakPolarHBondContact OG1-CA 3.19Å; T70-L133 WeakPolarHBondContact O-CD1 3.43Å
71I64.6Low75.4Confident45 Ų4552.3 Ų52.323%0.23125%0.248CC..  trans-97.9-42.8178-62.2171.5000109N63 E64 I69 L133N63-I71 HydrophobicContact CB-CD1 4.17Å; E64-I71 HydrophobicContact CG-CB 3.81Å; E64-I71 HydrophobicContact CG-CD1 4.01Å; E64-I71 HydrophobicContact CG-CG1 3.88Å; E64-I71 PolarHBondContact OE1-N 3.08Å; E64-I71 VanDerWaalsContact OE1-N 3.14Å; I69-I71 HydrophobicContact CG1-CG1 4.16Å; I69-I71 PolarHBondContact O-N 2.85Å; I71-L133 HydrophobicContact CG2-CD2 4.33Å
72K74.9Confident76.5Confident68 Ų6852.8 Ų52.830%0.29625%0.249SC..SBendtrans-104158.6172.2-56.3-170178.9-163.80109.6E64 G74 R252 D344E64-K72 PolarHBondContact OE1-N 2.82Å; K72-G74 PolarHBondContact O-N 2.62Å; K72-R252 PolarHBondContact O-NH2 2.89Å; K72-D344 WeakPolarHBondContact CE-OD2 3.5Å; K72-D344 IonicContact NZ-OD2 3.32Å; K72-D344 PolarHBondContact NZ-OD2 3.45Å
73L78.4Confident77.5Confident6 Ų645 Ų453%0.03122%0.216CC..  trans-57.4101.9179.3-71.4170.2000113.8Y75 V125 C127 T136 I251 R252L73-Y75 HydrophobicContact CB-CE1 3.74Å; L73-Y75 HydrophobicContact CB-CE2 4.46Å; L73-Y75 WeakPolarHBondContact CB-OH 3.49Å; L73-Y75 WeakPolarHBondContact O-CD2 3.37Å; L73-Y75 WeakPolarHBondContact O-CE2 3.45Å; L73-V125 HydrophobicContact CD2-CG1 3.94Å; L73-C127 HydrophobicContact CD2-CB 4.44Å; L73-T136 HydrophobicContact CD2-CG2 4.15Å; L73-T136 HydrophobicContact CG-CG2 3.76Å; L73-I251 HydrophobicContact CD1-CG2 3.48Å; L73-I251 VanDerWaalsContact CD1-CG2 3.48Å; L73-R252 PolarHBondContact O-NE 3.1Å; L73-R252 PolarHBondContact O-NH2 2.73Å
74G80.7Confident78.2Confident3 Ų344.1 Ų44.13%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-66.4144.8179.800000111.3K72 D126K72-G74 PolarHBondContact O-N 2.62Å; G74-D126 PolarHBondContact N-O 3.29Å; G74-D126 WeakPolarHBondContact O-CB 3.5Å; G74-D126 PolarHBondContact O-N 3.07Å
75Y83.8Confident78.6Confident39 Ų3945 Ų4515%0.15322%0.218CC..EExtended strand (participates in β ladder)trans-129.6135.6-178.1-55.9-52.5000111L73 F124 V125 I251 R252 L329L73-Y75 HydrophobicContact CB-CE1 3.74Å; L73-Y75 HydrophobicContact CB-CE2 4.46Å; L73-Y75 WeakPolarHBondContact CB-OH 3.49Å; L73-Y75 WeakPolarHBondContact O-CD2 3.37Å; L73-Y75 WeakPolarHBondContact O-CE2 3.45Å; Y75-F124 WeakPolarHBondContact CA-O 3.5Å; Y75-V125 HydrophobicContact CD1-CG2 4.41Å; Y75-V125 HydrophobicContact CE1-CG1 4.13Å; Y75-V125 HydrophobicContact CE1-CG2 4.31Å; Y75-I251 WeakPolarHBondContact OH-CG2 3.5Å; Y75-R252 HydrophobicContact CE2-CG 3.94Å; Y75-L329 HydrophobicContact CD1-CD1 2.99Å; Y75-L329 HydrophobicContact CD1-CD2 4.35Å; Y75-L329 HydrophobicContact CD1-CG 4.26Å; Y75-L329 HydrophobicContact CD2-CD1 4.19Å; Y75-L329 HydrophobicContact CE1-CD1 3.54Å; Y75-L329 HydrophobicContact CE1-CD2 4.05Å; Y75-L329 HydrophobicContact CE1-CG 4.46Å; Y75-L329 HydrophobicContact CG-CD1 3.36Å
76A87.2Confident78.7Confident0 Ų050 Ų500%024%0.239CC..EExtended strand (participates in β ladder)trans-152.3129.1176.500000111.4V50 S54 V56 T58 F124 E317V50-A76 HydrophobicContact CG1-CB 3.51Å; S54-A76 WeakPolarHBondContact OG-CB 3.44Å; V56-A76 HydrophobicContact CB-CB 3.99Å; V56-A76 HydrophobicContact CG1-CB 4.25Å; T58-A76 HydrophobicContact CG2-CB 3.82Å; A76-F124 PolarHBondContact N-O 2.91Å; A76-F124 WeakPolarHBondContact O-CB 3.17Å; A76-F124 PolarHBondContact O-N 2.8Å; A76-E317 WeakPolarHBondContact CA-OE1 3.12Å
77N89.3Confident78.9Confident2 Ų246.7 Ų46.71%0.01123%0.232CC..EExtended strand (participates in β ladder)trans-94.8147.8173.2-60.8-23.6000110.9S54 V122 S123 E317S54-N77 WeakPolarHBondContact CB-O 3.41Å; N77-V122 CarbonylContact C-O 3.58Å; N77-V122 WeakPolarHBondContact CA-O 3.49Å; N77-S123 WeakPolarHBondContact OD1-CA 3.28Å; N77-S123 VanDerWaalsContact OD1-CB 3.27Å; N77-S123 WeakPolarHBondContact OD1-CB 3.41Å; N77-S123 PolarHBondContact OD1-OG 3.39Å; N77-E317 HydrophobicContact CB-CG 4.43Å; N77-E317 WeakPolarHBondContact CB-OE2 3.05Å; N77-E317 PolarHBondContact N-OE1 2.81Å; N77-E317 WeakPolarHBondContact ND2-CG 3.02Å
78A89.5Confident79.1Confident0 Ų038.9 Ų38.90%020%0.204CC..EExtended strand (participates in β ladder)trans-140.3138.6175.600000110.7I53 F97 H121 V122 F124I53-A78 HydrophobicContact CG2-CB 4.01Å; A78-F97 WeakPolarHBondContact CA-O 3.36Å; A78-H121 PolarHBondContact O-CD2 2.77Å; A78-V122 HydrophobicContact CB-CG2 4.15Å; A78-V122 PolarHBondContact N-O 2.82Å; A78-V122 WeakPolarHBondContact O-CG2 3.33Å; A78-V122 PolarHBondContact O-N 2.98Å; A78-F124 HydrophobicContact CB-CD2 4.37Å; A78-F124 HydrophobicContact CB-CE2 3.84Å
79K89.4Confident79.6Confident0 Ų038.9 Ų38.90%020%0.203CC..EExtended strand (participates in β ladder)trans-93.8129.2169.7-73.9-177.3174.5-171.40109L7 S29 Y81 S96 F97 S99 T101 D103 L118L7-K79 VanDerWaalsContact CD2-NZ 3.26Å; S29-K79 WeakPolarHBondContact O-CE 3.5Å; S29-K79 PolarHBondContact O-NZ 3.07Å; K79-Y81 HydrophobicContact CB-CD2 4.23Å; K79-Y81 HydrophobicContact CB-CE2 3.39Å; K79-Y81 HydrophobicContact CD-CE2 4.45Å; K79-Y81 VanDerWaalsContact CD-OH 3.27Å; K79-Y81 WeakPolarHBondContact CD-OH 3.2Å; K79-S96 VanDerWaalsContact O-CA 3.28Å; K79-S96 WeakPolarHBondContact O-CA 3.42Å; K79-F97 PolarHBondContact N-O 2.97Å; K79-F97 PolarHBondContact O-N 3.25Å; K79-S99 WeakPolarHBondContact CE-O 3.34Å; K79-T101 PolarHBondContact NZ-O 3.43Å; K79-D103 IonicContact NZ-OD1 2.78Å; K79-D103 PolarHBondContact NZ-OD1 2.98Å; K79-L118 HydrophobicContact CB-CD1 3.56Å; K79-L118 HydrophobicContact CD-CD1 3.75Å; K79-L118 HydrophobicContact CG-CD1 3.68Å
80I89.9Confident79.9Confident0 Ų044.8 Ų44.80%022%0.223CC..EExtended strand (participates in β ladder)trans-105.6124.8175.3-54.2173.9000108.3Y94 R95 L119 R120 V122 C228 I231 V232I80-Y94 HydrophobicContact CG2-CD1 4.48Å; I80-R95 WeakPolarHBondContact CA-O 3.46Å; I80-L119 PolarHBondContact O-N 2.96Å; I80-R120 HydrophobicContact CB-CB 4.34Å; I80-R120 PolarHBondContact N-O 3.38Å; I80-R120 PolarHBondContact O-N 3.4Å; I80-V122 HydrophobicContact CD1-CG1 4.11Å; I80-V122 HydrophobicContact CD1-CG2 4.09Å; I80-V122 HydrophobicContact CG1-CG2 4.39Å; I80-C228 HydrophobicContact CG2-CB 4Å; I80-I231 HydrophobicContact CD1-CB 4.09Å; I80-I231 HydrophobicContact CD1-CD1 4.45Å; I80-I231 HydrophobicContact CD1-CG2 3.54Å; I80-V232 HydrophobicContact CB-CG2 4.35Å; I80-V232 HydrophobicContact CD1-CG2 4.37Å; I80-V232 HydrophobicContact CG2-CG2 3.64Å
81Y88Confident80.3Confident0 Ų046.6 Ų46.60%024%0.235CC..EExtended strand (participates in β ladder)trans-113155-177.8-59.9-102.6000111.1K79 Y94 R95 F97 T101 D102 D103 L105 L116 T117 L118K79-Y81 HydrophobicContact CB-CD2 4.23Å; K79-Y81 HydrophobicContact CB-CE2 3.39Å; K79-Y81 HydrophobicContact CD-CE2 4.45Å; K79-Y81 VanDerWaalsContact CD-OH 3.27Å; K79-Y81 WeakPolarHBondContact CD-OH 3.2Å; Y81-Y94 WeakPolarHBondContact O-CA 3Å; Y81-R95 PolarHBondContact N-O 2.93Å; Y81-R95 PolarHBondContact O-N 3.43Å; Y81-F97 AromaticContact CD2-CD2 3.64Å; Y81-F97 HydrophobicContact CD2-CD2 3.64Å; Y81-F97 HydrophobicContact CD2-CE2 4.38Å; Y81-F97 HydrophobicContact CE2-CB 4.01Å; Y81-F97 AromaticContact CE2-CD2 3.71Å; Y81-F97 HydrophobicContact CE2-CD2 3.71Å; Y81-F97 HydrophobicContact CE2-CG 4.33Å; Y81-T101 PolarHBondContact OH-O 3.12Å; Y81-T101 PolarHBondContact OH-OG1 2.77Å; Y81-D102 WeakPolarHBondContact CE1-O 3.44Å; Y81-D102 PolarHBondContact OH-O 2.96Å; Y81-D103 WeakPolarHBondContact CE1-O 3.09Å; Y81-L105 HydrophobicContact CE1-CD1 4.49Å; Y81-L116 HydrophobicContact CD1-CB 4.03Å; Y81-L116 HydrophobicContact CG-CB 4.25Å; Y81-T117 CarbonylContact C-O 3.57Å; Y81-T117 WeakPolarHBondContact CA-O 3.44Å; Y81-L118 HydrophobicContact CD1-CB 4.26Å; Y81-L118 HydrophobicContact CD1-CD1 4.41Å; Y81-L118 HydrophobicContact CE1-CB 4.15Å; Y81-L118 HydrophobicContact CE1-CD1 4.04Å; Y81-L118 HydrophobicContact CE2-CD1 4.36Å
82K85.6Confident81Confident85 Ų8546.6 Ų46.637%0.3724%0.242SC..EExtended strand (participates in β ladder)trans-122.1131.1168.8177.7178.5176.8-175.90110.1C93 Y94 L116 T117 L119K82-C93 WeakPolarHBondContact CA-O 3.41Å; K82-Y94 HydrophobicContact CB-CD1 4.21Å; K82-Y94 HydrophobicContact CB-CE1 4.03Å; K82-Y94 HydrophobicContact CD-CE1 4.09Å; K82-Y94 HydrophobicContact CG-CE1 4.17Å; K82-L116 WeakPolarHBondContact O-CA 3.39Å; K82-T117 PolarHBondContact N-O 2.82Å; K82-T117 PolarHBondContact O-N 2.93Å; K82-T117 PolarHBondContact O-OG1 2.85Å; K82-L119 HydrophobicContact CB-CD1 3.32Å; K82-L119 HydrophobicContact CB-CG 3.78Å; K82-L119 HydrophobicContact CD-CD1 3.74Å; K82-L119 HydrophobicContact CG-CD1 4.16Å
83C84.3Confident81.1Confident8 Ų843.8 Ų43.85%0.05423%0.23CC..EExtended strand (participates in β ladder)trans-73.7131.3173.9-160.90000109.4S85 C88 C93 C107 C112 L116C83-S85 VanDerWaalsContact C-N 3.3Å; C83-S85 PolarHBondContact SG-OG 3.14Å; C83-C88 HydrophobicContact CB-CB 4.06Å; C83-C93 PolarHBondContact N-O 3.16Å; C83-C107 WeakPolarHBondContact CB-SG 3.5Å; C83-C107 WeakPolarHBondContact SG-CB 3.15Å; C83-C107 CovalentContact SG-SG 2.06Å; C83-C107 PolarHBondContact SG-SG 3.31Å; C83-C112 VanDerWaalsContact SG-SG 3.62Å; C83-L116 HydrophobicContact CB-CD2 3.79Å
84N81.6Confident81.3Confident93 Ų9344 Ų4450%0.49723%0.231SC..  trans-78.1-12.8179-68.5-10.3000113.6T115 T117N84-T115 PolarHBondContact N-O 3.07Å; N84-T115 PolarHBondContact ND2-OG1 3.19Å; N84-T117 WeakPolarHBondContact ND2-CG2 3.47Å; N84-T117 PolarHBondContact OD1-OG1 2.84Å; N84-T117 VanDerWaalsContact OD1-OG1 3.1Å
85S77.4Confident81.5Confident24 Ų2448.4 Ų48.417%0.16825%0.247CC..  trans-71.8134.3-178.966.40000111.9C83 A87 C88 C112C83-S85 VanDerWaalsContact C-N 3.3Å; C83-S85 PolarHBondContact SG-OG 3.14Å; S85-A87 PolarHBondContact O-N 2.87Å; S85-C88 PolarHBondContact O-N 2.83Å; S85-C88 VanDerWaalsContact O-N 3.1Å; S85-C88 PolarHBondContact OG-SG 2.81Å; S85-C88 VanDerWaalsContact OG-SG 3.36Å; S85-C112 PolarHBondContact OG-SG 2.84Å
86E72.1Confident81.4Confident190 Ų19047.5 Ų47.589%0.88825%0.246SC*.THydrogen-bonded Turntrans-62.9-25.4171.6-62.6-179.2174.200112.9C88E86-C88 PolarHBondContact O-N 3.48Å
87A71.7Confident81.2Confident65 Ų6550 Ų5054%0.53726%0.257SS..THydrogen-bonded Turntrans-63.1-18.7174.500000113.8S85 R109S85-A87 PolarHBondContact O-N 2.87Å; A87-R109 PolarHBondContact O-NH1 2.82Å
88C71.5Confident80.7Confident12 Ų1250.4 Ų50.48%0.08126%0.261CS..SBendtrans-95.995.8174.6-72.20000110C83 S85 E86 C93 C112C83-C88 HydrophobicContact CB-CB 4.06Å; S85-C88 PolarHBondContact O-N 2.83Å; S85-C88 VanDerWaalsContact O-N 3.1Å; S85-C88 PolarHBondContact OG-SG 2.81Å; S85-C88 VanDerWaalsContact OG-SG 3.36Å; E86-C88 PolarHBondContact O-N 3.48Å; C88-C93 HydrophobicContact CB-CB 3.88Å; C88-C93 WeakPolarHBondContact O-CB 3.28Å; C88-C112 PolarHBondContact SG-SG 3.42Å
89I77.8Confident79.8Confident131 Ų13150.7 Ų50.767%0.67226%0.263SS*.  trans-73.8144.1176-53.9163000109.4A92 C93I89-A92 PolarHBondContact O-N 3.21Å; I89-C93 PolarHBondContact O-N 3.43Å
90R76.5Confident78.9Confident161 Ų16152.3 Ų52.361%0.60828%0.277SS*.THydrogen-bonded Turntrans-61.2132.9170.3-173.2175.675.7157.21.2109.6Y94 D229 N233R90-Y94 HydrophobicContact CG-CE2 4.04Å; R90-D229 WeakPolarHBondContact CD-OD1 3.28Å; R90-D229 WeakPolarHBondContact CD-OD2 3.28Å; R90-D229 WeakPolarHBondContact CG-OD2 3.31Å; R90-D229 IonicContact NE-OD2 3.9Å; R90-N233 PolarHBondContact NH1-ND2 2.87Å
91P73.2Confident78.1Confident47 Ų4754.1 Ų54.131%0.30529%0.288SS..THydrogen-bonded Turncis-91.5-12.314.133.9-34.9000115.6C93 Y94 V226 D229P91-C93 PolarHBondContact O-N 2.84Å; P91-Y94 PolarHBondContact O-N 3.3Å; P91-Y94 VanDerWaalsContact O-N 3.08Å; P91-V226 HydrophobicContact CB-CB 4.45Å; P91-V226 HydrophobicContact CB-CG2 3.88Å; P91-V226 HydrophobicContact CG-CG2 3.7Å; P91-D229 HydrophobicContact CB-CB 4.41Å
92A77.5Confident77.4Confident45 Ų4557.5 Ų57.537%0.37231%0.306SS..THydrogen-bonded Turntrans-66.1-10.3-172.400000114.9I89 Y94I89-A92 PolarHBondContact O-N 3.21Å; A92-Y94 VanDerWaalsContact C-N 3.27Å
93C78.4Confident76.7Confident9 Ų955.1 Ų55.16%0.06130%0.297CS..THydrogen-bonded Turntrans-72.3-17.7173.261.90000113.8K82 C83 C88 I89 P91K82-C93 WeakPolarHBondContact CA-O 3.41Å; C83-C93 PolarHBondContact N-O 3.16Å; C88-C93 HydrophobicContact CB-CB 3.88Å; C88-C93 WeakPolarHBondContact O-CB 3.28Å; I89-C93 PolarHBondContact O-N 3.43Å; P91-C93 PolarHBondContact O-N 2.84Å
94Y82.7Confident76Confident11 Ų1158.9 Ų58.94%0.04332%0.324CS..EExtended strand (participates in β ladder)trans-93.9133.8177.8-64.6-80.4000111.4I80 Y81 K82 R90 P91 A92 L119 D229 V232I80-Y94 HydrophobicContact CG2-CD1 4.48Å; Y81-Y94 WeakPolarHBondContact O-CA 3Å; K82-Y94 HydrophobicContact CB-CD1 4.21Å; K82-Y94 HydrophobicContact CB-CE1 4.03Å; K82-Y94 HydrophobicContact CD-CE1 4.09Å; K82-Y94 HydrophobicContact CG-CE1 4.17Å; R90-Y94 HydrophobicContact CG-CE2 4.04Å; P91-Y94 PolarHBondContact O-N 3.3Å; P91-Y94 VanDerWaalsContact O-N 3.08Å; A92-Y94 VanDerWaalsContact C-N 3.27Å; Y94-L119 HydrophobicContact CD1-CD1 4.47Å; Y94-L119 HydrophobicContact CE1-CD1 3.79Å; Y94-D229 HydrophobicContact CD2-CB 3.57Å; Y94-D229 WeakPolarHBondContact CD2-OD1 3.33Å; Y94-D229 HydrophobicContact CE2-CB 3.91Å; Y94-D229 WeakPolarHBondContact CE2-OD1 3.48Å; Y94-D229 HydrophobicContact CG-CB 4.23Å; Y94-V232 HydrophobicContact CD1-CG2 4.23Å; Y94-V232 HydrophobicContact CE1-CB 4.16Å; Y94-V232 HydrophobicContact CE1-CG1 4.03Å; Y94-V232 HydrophobicContact CE1-CG2 4.19Å
95R83.2Confident75.8Confident95 Ų9556.3 Ų56.336%0.35831%0.309SS..EExtended strand (participates in β ladder)trans-138.6148.2174.3-70.2-167.5176.1-1444.1111I80 Y81 F97I80-R95 WeakPolarHBondContact CA-O 3.46Å; Y81-R95 PolarHBondContact N-O 2.93Å; Y81-R95 PolarHBondContact O-N 3.43Å; R95-F97 HydrophobicContact CB-CE2 3.83Å; R95-F97 HydrophobicContact CB-CZ 4.43Å
96S83.1Confident75.7Confident19 Ų1960.1 Ų60.113%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-110.9140.1173430000110.9I53 K79 C228I53-S96 WeakPolarHBondContact O-CB 3.46Å; I53-S96 PolarHBondContact O-OG 3.46Å; K79-S96 VanDerWaalsContact O-CA 3.28Å; K79-S96 WeakPolarHBondContact O-CA 3.42Å; S96-C228 PolarHBondContact OG-SG 3.44Å
97F83.1Confident75.7Confident54 Ų5451.6 Ų51.624%0.23730%0.295CS..EExtended strand (participates in β ladder)trans-134.8168.2171.1-62.4-85.5000109.8A78 K79 Y81 R95 T101 L105 L116A78-F97 WeakPolarHBondContact CA-O 3.36Å; K79-F97 PolarHBondContact N-O 2.97Å; K79-F97 PolarHBondContact O-N 3.25Å; Y81-F97 AromaticContact CD2-CD2 3.64Å; Y81-F97 HydrophobicContact CD2-CD2 3.64Å; Y81-F97 HydrophobicContact CD2-CE2 4.38Å; Y81-F97 HydrophobicContact CE2-CB 4.01Å; Y81-F97 AromaticContact CE2-CD2 3.71Å; Y81-F97 HydrophobicContact CE2-CD2 3.71Å; Y81-F97 HydrophobicContact CE2-CG 4.33Å; R95-F97 HydrophobicContact CB-CE2 3.83Å; R95-F97 HydrophobicContact CB-CZ 4.43Å; F97-T101 HydrophobicContact CB-CG2 3.82Å; F97-T101 WeakPolarHBondContact CB-OG1 2.9Å; F97-L105 HydrophobicContact CD2-CD1 4.2Å; F97-L105 HydrophobicContact CE2-CD1 4.34Å; F97-L105 HydrophobicContact CG-CD1 4.5Å; F97-L116 HydrophobicContact CE2-CD1 3.71Å; F97-L116 HydrophobicContact CZ-CD1 4.29Å
98G77.7Confident75.7Confident10 Ų1052.3 Ų52.310%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-63.6165.6177.100000112.9S54 A100 T101S54-G98 WeakPolarHBondContact O-CA 3.37Å; G98-A100 PolarHBondContact O-N 3.36Å; G98-T101 PolarHBondContact O-N 3.48Å; G98-T101 PolarHBondContact O-OG1 3.38Å
99S71.6Confident75.5Confident5 Ų556.9 Ų56.94%0.03531%0.31CS..THydrogen-bonded Turntrans-63.9-23.9-177.852.70000115.3K79 E317 N319K79-S99 WeakPolarHBondContact CE-O 3.34Å; S99-E317 WeakPolarHBondContact CB-OE2 3.42Å; S99-E317 PolarHBondContact OG-OE2 2.86Å; S99-N319 PolarHBondContact O-ND2 2.85Å
100A70.1Confident75.2Confident35 Ų3556.6 Ų56.629%0.28932%0.316SS..THydrogen-bonded Turntrans-85.6-2.3-177.100000114.2G98G98-A100 PolarHBondContact O-N 3.36Å
101T73.9Confident74.9Confident38 Ų3852.8 Ų52.823%0.23333%0.327CS..SBendtrans-78148.4179.554.50000112.3K79 Y81 F97 G98K79-T101 PolarHBondContact NZ-O 3.43Å; Y81-T101 PolarHBondContact OH-O 3.12Å; Y81-T101 PolarHBondContact OH-OG1 2.77Å; F97-T101 HydrophobicContact CB-CG2 3.82Å; F97-T101 WeakPolarHBondContact CB-OG1 2.9Å; G98-T101 PolarHBondContact O-N 3.48Å; G98-T101 PolarHBondContact O-OG1 3.38Å
102D73.6Confident74.8Confident70 Ų7051.1 Ų51.137%0.37432%0.316SS..  trans-57.4154.4178.9-56.9-13.8000112.2Y81 S104 L105Y81-D102 WeakPolarHBondContact CE1-O 3.44Å; Y81-D102 PolarHBondContact OH-O 2.96Å; D102-S104 VanDerWaalsContact C-N 3.3Å; D102-S104 PolarHBondContact O-N 2.88Å; D102-L105 HydrophobicContact CB-CD2 4.14Å
103D69.4Low74.8Confident36 Ų3657.1 Ų57.119%0.19334%0.342CS..SBendtrans-73.3-23-175.1-65.3-29.1000113.7S29 K79 Y81 L118S29-D103 WeakPolarHBondContact CA-OD1 3.3Å; S29-D103 WeakPolarHBondContact CB-OD2 3.37Å; S29-D103 PolarHBondContact OG-OD1 3.14Å; S29-D103 VanDerWaalsContact OG-OD1 3.08Å; S29-D103 PolarHBondContact OG-OD2 3.49Å; K79-D103 IonicContact NZ-OD1 2.78Å; K79-D103 PolarHBondContact NZ-OD1 2.98Å; Y81-D103 WeakPolarHBondContact CE1-O 3.09Å; D103-L118 PolarHBondContact O-N 3.31Å
104S70.9Confident74.7Confident87 Ų8757 Ų5761%0.60834%0.343SS*.EExtended strand (participates in β ladder)trans-127.1121.1174.760.60000110.1D102 L116D102-S104 VanDerWaalsContact C-N 3.3Å; D102-S104 PolarHBondContact O-N 2.88Å; S104-L116 WeakPolarHBondContact CA-O 3.4Å
105L76.9Confident74.7Confident38 Ų3860 Ų6020%0.19936%0.362CS..EExtended strand (participates in β ladder)trans-124.3145.5178.3-67.4170000110.3Y81 F97 D102 L116Y81-L105 HydrophobicContact CE1-CD1 4.49Å; F97-L105 HydrophobicContact CD2-CD1 4.2Å; F97-L105 HydrophobicContact CE2-CD1 4.34Å; F97-L105 HydrophobicContact CG-CD1 4.5Å; D102-L105 HydrophobicContact CB-CD2 4.14Å; L105-L116 HydrophobicContact CB-CB 4.28Å; L105-L116 HydrophobicContact CB-CD1 4.13Å; L105-L116 PolarHBondContact N-O 3.25Å; L105-L116 WeakPolarHBondContact O-CB 3.39Å; L105-L116 PolarHBondContact O-N 2.86Å
106P75.6Confident74.6Confident104 Ų10455.6 Ų55.668%0.67535%0.346SS*.EExtended strand (participates in β ladder)trans-63.7139.616627-32.4000109.8P108P106-P108 VanDerWaalsContact O-CD 3.28Å; P106-P108 WeakPolarHBondContact O-CD 3.48Å
107C71.3Confident74.7Confident11 Ų1157 Ų577%0.07435%0.353CS..  trans-64.2117.8176.1-67.30000108.3C83 R109 C112 G114 L116C83-C107 WeakPolarHBondContact CB-SG 3.5Å; C83-C107 WeakPolarHBondContact SG-CB 3.15Å; C83-C107 CovalentContact SG-SG 2.06Å; C83-C107 PolarHBondContact SG-SG 3.31Å; C107-R109 PolarHBondContact O-N 2.79Å; C107-C112 HydrophobicContact CB-CB 4.41Å; C107-G114 WeakPolarHBondContact CB-O 3.5Å; C107-G114 PolarHBondContact N-O 2.91Å; C107-G114 VanDerWaalsContact SG-C 3.58Å; C107-G114 PolarHBondContact SG-O 2.7Å; C107-L116 HydrophobicContact CB-CG 4.42Å; C107-L116 WeakPolarHBondContact SG-CD2 3.39Å; C107-L116 WeakPolarHBondContact SG-CG 3.44Å
108P71.9Confident74.8Confident80 Ų8056 Ų5652%0.51935%0.351SS..  trans-76.19.5-175.934.3-40.7000112.8P106P106-P108 VanDerWaalsContact O-CD 3.28Å; P106-P108 WeakPolarHBondContact O-CD 3.48Å
109R68.5Low75.2Confident109 Ų10958 Ų5841%0.41136%0.359SS..SBendtrans-75.6127.9179.1-174.6-179.1-177-165.2-1.8107.8A87 C107 G111 C112A87-R109 PolarHBondContact O-NH1 2.82Å; C107-R109 PolarHBondContact O-N 2.79Å; R109-G111 PolarHBondContact O-N 2.99Å; R109-C112 HydrophobicContact CB-CB 4.01Å; R109-C112 HydrophobicContact CG-CB 4.5Å; R109-C112 PolarHBondContact O-N 3.49Å
110P69.9Low76Confident125 Ų12559.4 Ų59.481%0.81236%0.363SS*.THydrogen-bonded Turntrans-60127.5176.324.2-32.4000109.8
111G70.3Confident77Confident80 Ų8057.7 Ų57.783%0.82535%0.349SS*.THydrogen-bonded Turntrans85.214-179.900000115.7R109R109-G111 PolarHBondContact O-N 2.99Å
112C72.1Confident77.9Confident13 Ų1355.9 Ų55.99%0.08834%0.338CS..  trans-117.4113.8176.3-1770000111C83 S85 C88 C107 R109 G114C83-C112 VanDerWaalsContact SG-SG 3.62Å; S85-C112 PolarHBondContact OG-SG 2.84Å; C88-C112 PolarHBondContact SG-SG 3.42Å; C107-C112 HydrophobicContact CB-CB 4.41Å; R109-C112 HydrophobicContact CB-CB 4.01Å; R109-C112 HydrophobicContact CG-CB 4.5Å; R109-C112 PolarHBondContact O-N 3.49Å; C112-G114 PolarHBondContact O-N 2.95Å
113D76.7Confident78.7Confident170 Ų17052.6 Ų52.691%0.90932%0.32SS*.  trans-85.816175.9-57.6-34.7000112.8
114G77.4Confident79.8Confident8 Ų850.9 Ų50.98%0.08231%0.311CS..PPolyproline II helixtrans-75.6150.3-177.600000113.2C107 C112C107-G114 WeakPolarHBondContact CB-O 3.5Å; C107-G114 PolarHBondContact N-O 2.91Å; C107-G114 VanDerWaalsContact SG-C 3.58Å; C107-G114 PolarHBondContact SG-O 2.7Å; C112-G114 PolarHBondContact O-N 2.95Å
115T81.5Confident80.7Confident73 Ų7346.8 Ų46.845%0.44828%0.283SS..EExtended strand (participates in β ladder)trans-95.6134166.3570000110.3N84N84-T115 PolarHBondContact N-O 3.07Å; N84-T115 PolarHBondContact ND2-OG1 3.19Å
116L81.4Confident81.3Confident2 Ų245 Ų451%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-77119.7168.4-70.9174.4000109.3Y81 K82 C83 F97 S104 L105 C107Y81-L116 HydrophobicContact CD1-CB 4.03Å; Y81-L116 HydrophobicContact CG-CB 4.25Å; K82-L116 WeakPolarHBondContact O-CA 3.39Å; C83-L116 HydrophobicContact CB-CD2 3.79Å; F97-L116 HydrophobicContact CE2-CD1 3.71Å; F97-L116 HydrophobicContact CZ-CD1 4.29Å; S104-L116 WeakPolarHBondContact CA-O 3.4Å; L105-L116 HydrophobicContact CB-CB 4.28Å; L105-L116 HydrophobicContact CB-CD1 4.13Å; L105-L116 PolarHBondContact N-O 3.25Å; L105-L116 WeakPolarHBondContact O-CB 3.39Å; L105-L116 PolarHBondContact O-N 2.86Å; C107-L116 HydrophobicContact CB-CG 4.42Å; C107-L116 WeakPolarHBondContact SG-CD2 3.39Å; C107-L116 WeakPolarHBondContact SG-CG 3.44Å
117T84.8Confident81.7Confident48 Ų4840 Ų4029%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-99.5135.1171.951.80000110.2Y81 K82 N84 L119Y81-T117 CarbonylContact C-O 3.57Å; Y81-T117 WeakPolarHBondContact CA-O 3.44Å; K82-T117 PolarHBondContact N-O 2.82Å; K82-T117 PolarHBondContact O-N 2.93Å; K82-T117 PolarHBondContact O-OG1 2.85Å; N84-T117 WeakPolarHBondContact ND2-CG2 3.47Å; N84-T117 PolarHBondContact OD1-OG1 2.84Å; N84-T117 VanDerWaalsContact OD1-OG1 3.1Å; T117-L119 PolarHBondContact O-N 2.83Å
118L85Confident82.3Confident34 Ų3439.5 Ų39.518%0.17824%0.237CC..EExtended strand (participates in β ladder)trans-64.4120.6173.9-176.371.3000110I28 K79 Y81 D103I28-L118 HydrophobicContact CB-CD2 3.97Å; I28-L118 HydrophobicContact CG2-CD1 4.46Å; I28-L118 HydrophobicContact CG2-CD2 3.47Å; I28-L118 VanDerWaalsContact CG2-CD2 3.47Å; I28-L118 HydrophobicContact CG2-CG 3.82Å; K79-L118 HydrophobicContact CB-CD1 3.56Å; K79-L118 HydrophobicContact CD-CD1 3.75Å; K79-L118 HydrophobicContact CG-CD1 3.68Å; Y81-L118 HydrophobicContact CD1-CB 4.26Å; Y81-L118 HydrophobicContact CD1-CD1 4.41Å; Y81-L118 HydrophobicContact CE1-CB 4.15Å; Y81-L118 HydrophobicContact CE1-CD1 4.04Å; Y81-L118 HydrophobicContact CE2-CD1 4.36Å; D103-L118 PolarHBondContact O-N 3.31Å
119L86.6Confident82.6Confident53 Ų5335.8 Ų35.828%0.27721%0.214SC..EExtended strand (participates in β ladder)trans-103.6-44.6175.8-74.1-173000112.8I80 K82 Y94 T117 V232I80-L119 PolarHBondContact O-N 2.96Å; K82-L119 HydrophobicContact CB-CD1 3.32Å; K82-L119 HydrophobicContact CB-CG 3.78Å; K82-L119 HydrophobicContact CD-CD1 3.74Å; K82-L119 HydrophobicContact CG-CD1 4.16Å; Y94-L119 HydrophobicContact CD1-CD1 4.47Å; Y94-L119 HydrophobicContact CE1-CD1 3.79Å; T117-L119 PolarHBondContact O-N 2.83Å; L119-V232 HydrophobicContact CD1-CG1 3.99Å
120R89.4Confident83.2Confident33 Ų3333.5 Ų33.513%0.12521%0.208CC..EExtended strand (participates in β ladder)trans-142144.1-174.2-62.2-65-175.4114.912.4110.2I80 V122 V232 I235 V237I80-R120 HydrophobicContact CB-CB 4.34Å; I80-R120 PolarHBondContact N-O 3.38Å; I80-R120 PolarHBondContact O-N 3.4Å; R120-V122 HydrophobicContact CB-CG1 4.31Å; R120-V232 HydrophobicContact CG-CG2 4.06Å; R120-V232 PolarHBondContact NH2-O 2.87Å; R120-I235 PolarHBondContact NH1-O 3.48Å; R120-I235 PolarHBondContact NH2-O 2.92Å; R120-V237 VanDerWaalsContact CZ-CG2 3.42Å
121H90.5Very high83.3Confident0 Ų028.7 Ų28.70%018%0.175CC..EExtended strand (participates in β ladder)trans-118.4114167.8-166.7169.9000107.8I28 Q31 A32 T33 A78I28-H121 HydrophobicContact CG2-CB 3.58Å; I28-H121 WeakPolarHBondContact O-CB 3.22Å; I28-H121 PolarHBondContact O-ND1 3.48Å; Q31-H121 PolarHBondContact O-ND1 3Å; A32-H121 WeakPolarHBondContact CA-O 3.49Å; A32-H121 PolarHBondContact N-ND1 2.92Å; T33-H121 PolarHBondContact N-O 3.26Å; A78-H121 PolarHBondContact O-CD2 2.77Å
122V92Very high83.6Confident0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-114148.3-173.9-57.40000110I34 I36 N77 A78 I80 R120 F124 I231I34-V122 HydrophobicContact CB-CG1 4.23Å; I34-V122 CarbonylContact O-C 3.58Å; I34-V122 WeakPolarHBondContact O-CA 3.45Å; I36-V122 HydrophobicContact CD1-CB 3.99Å; I36-V122 HydrophobicContact CD1-CG1 3.98Å; I36-V122 HydrophobicContact CD1-CG2 4.41Å; N77-V122 CarbonylContact C-O 3.58Å; N77-V122 WeakPolarHBondContact CA-O 3.49Å; A78-V122 HydrophobicContact CB-CG2 4.15Å; A78-V122 PolarHBondContact N-O 2.82Å; A78-V122 WeakPolarHBondContact O-CG2 3.33Å; A78-V122 PolarHBondContact O-N 2.98Å; I80-V122 HydrophobicContact CD1-CG1 4.11Å; I80-V122 HydrophobicContact CD1-CG2 4.09Å; I80-V122 HydrophobicContact CG1-CG2 4.39Å; R120-V122 HydrophobicContact CB-CG1 4.31Å; V122-F124 HydrophobicContact CG2-CD2 4.41Å; V122-F124 HydrophobicContact CG2-CE2 3.64Å; V122-F124 HydrophobicContact CG2-CZ 3.78Å; V122-I231 HydrophobicContact CG1-CG2 4.13Å
123S90.9Very high84Confident0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-113.6126.7175.6166.10000107.6I34 N35 I36 N77 L329I34-S123 PolarHBondContact O-N 2.98Å; N35-S123 CarbonylContact C-O 3.48Å; N35-S123 WeakPolarHBondContact CA-O 3.37Å; N35-S123 WeakPolarHBondContact OD1-CB 3.46Å; N35-S123 PolarHBondContact OD1-OG 3.39Å; I36-S123 PolarHBondContact N-O 2.54Å; N77-S123 WeakPolarHBondContact OD1-CA 3.28Å; N77-S123 VanDerWaalsContact OD1-CB 3.27Å; N77-S123 WeakPolarHBondContact OD1-CB 3.41Å; N77-S123 PolarHBondContact OD1-OG 3.39Å; S123-L329 VanDerWaalsContact OG-CD1 3.23Å; S123-L329 WeakPolarHBondContact OG-CD1 3.18Å; S123-L329 WeakPolarHBondContact OG-CG 3.37Å
124F92.2Very high84.1Confident0 Ų022.1 Ų22.10%012%0.119CC..EExtended strand (participates in β ladder)trans-95.8129.1176.1-68-74.7000110.8I36 V50 I53 Y75 A76 A78 V122 L148 I231I36-F124 HydrophobicContact CB-CD1 3.9Å; I36-F124 HydrophobicContact CB-CE1 3.94Å; I36-F124 HydrophobicContact CD1-CE1 4.17Å; I36-F124 HydrophobicContact CG2-CD1 4.06Å; I36-F124 HydrophobicContact CG2-CE1 3.91Å; I36-F124 CarbonylContact O-C 3.49Å; I36-F124 VanDerWaalsContact O-CA 3.25Å; I36-F124 WeakPolarHBondContact O-CA 3.42Å; V50-F124 HydrophobicContact CG1-CB 3.77Å; V50-F124 HydrophobicContact CG1-CD2 4.48Å; V50-F124 HydrophobicContact CG1-CG 4.28Å; V50-F124 HydrophobicContact CG2-CB 4.08Å; V50-F124 HydrophobicContact CG2-CG 4.44Å; I53-F124 HydrophobicContact CB-CE2 4.13Å; I53-F124 HydrophobicContact CB-CZ 4.34Å; I53-F124 HydrophobicContact CD1-CE1 4.34Å; I53-F124 HydrophobicContact CD1-CE2 4.49Å; I53-F124 HydrophobicContact CD1-CZ 3.89Å; I53-F124 HydrophobicContact CG2-CE2 3.57Å; I53-F124 HydrophobicContact CG2-CZ 3.77Å; Y75-F124 WeakPolarHBondContact CA-O 3.5Å; A76-F124 PolarHBondContact N-O 2.91Å; A76-F124 WeakPolarHBondContact O-CB 3.17Å; A76-F124 PolarHBondContact O-N 2.8Å; A78-F124 HydrophobicContact CB-CD2 4.37Å; A78-F124 HydrophobicContact CB-CE2 3.84Å; V122-F124 HydrophobicContact CG2-CD2 4.41Å; V122-F124 HydrophobicContact CG2-CE2 3.64Å; V122-F124 HydrophobicContact CG2-CZ 3.78Å; F124-L148 HydrophobicContact CD1-CD1 4.36Å; F124-L148 HydrophobicContact CE1-CD1 3.8Å; F124-I231 HydrophobicContact CE1-CD1 4.44Å; F124-I231 HydrophobicContact CZ-CD1 4.18Å
125V89.3Confident84.3Confident1 Ų122.6 Ų22.61%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-101.9101.1169.7-1790000107.9I36 G37 T38 L73 Y75 C127 M144 L329I36-V125 PolarHBondContact O-N 3.08Å; G37-V125 CarbonylContact C-O 3.57Å; G37-V125 WeakPolarHBondContact CA-O 3.37Å; T38-V125 PolarHBondContact N-O 2.91Å; L73-V125 HydrophobicContact CD2-CG1 3.94Å; Y75-V125 HydrophobicContact CD1-CG2 4.41Å; Y75-V125 HydrophobicContact CE1-CG1 4.13Å; Y75-V125 HydrophobicContact CE1-CG2 4.31Å; V125-C127 PolarHBondContact O-N 3.26Å; V125-C127 VanDerWaalsContact O-N 3.17Å; V125-M144 HydrophobicContact CB-CE 4.3Å; V125-M144 HydrophobicContact CG1-CE 4.06Å; V125-L329 HydrophobicContact CG2-CD1 4.28Å
126D89.8Confident84.4Confident0 Ų020.9 Ų20.90%011%0.112CC..EExtended strand (participates in β ladder)trans-79.195176.6-170.49.6000109.9T38 T47 V50 T58 T70 G74T38-D126 WeakPolarHBondContact OG1-CA 3.41Å; T38-D126 PolarHBondContact OG1-OD1 2.74Å; T47-D126 VanDerWaalsContact CA-OD2 3.28Å; T47-D126 WeakPolarHBondContact CA-OD2 3.3Å; T47-D126 VanDerWaalsContact CB-OD2 3.28Å; T47-D126 WeakPolarHBondContact CB-OD2 3.37Å; T47-D126 PolarHBondContact OG1-OD2 3.29Å; V50-D126 HydrophobicContact CG2-CB 4.26Å; T58-D126 HydrophobicContact CG2-CB 4.22Å; T58-D126 PolarHBondContact OG1-OD2 3.2Å; T70-D126 WeakPolarHBondContact CG2-OD2 3.39Å; G74-D126 PolarHBondContact N-O 3.29Å; G74-D126 WeakPolarHBondContact O-CB 3.5Å; G74-D126 PolarHBondContact O-N 3.07Å
127C85.3Confident84.5Confident0 Ų020.8 Ų20.80%011%0.112CC..  trans-74.8144.2178.8-76.10000112.2T38 K46 L73 V125 M137 M144T38-C127 WeakPolarHBondContact O-CB 3.3Å; T38-C127 PolarHBondContact O-N 2.86Å; K46-C127 WeakPolarHBondContact CE-O 3.38Å; L73-C127 HydrophobicContact CD2-CB 4.44Å; V125-C127 PolarHBondContact O-N 3.26Å; V125-C127 VanDerWaalsContact O-N 3.17Å; C127-M137 HydrophobicContact CB-CB 4.37Å; C127-M137 HydrophobicContact CB-CG 3.89Å; C127-M144 WeakPolarHBondContact SG-CE 3.25Å
128P83.6Confident84.5Confident0 Ų018.6 Ų18.60%010%0.098CC..  trans-63.2139.5174.228.3-34.6000110.9T70 L133 T136 M137T70-P128 VanDerWaalsContact O-CB 3.31Å; T70-P128 WeakPolarHBondContact O-CB 3.3Å; T70-P128 WeakPolarHBondContact OG1-CA 3.19Å; P128-L133 HydrophobicContact CB-CB 3.65Å; P128-L133 HydrophobicContact CB-CD1 3.63Å; P128-L133 HydrophobicContact CB-CG 4.3Å; P128-L133 HydrophobicContact CG-CB 3.65Å; P128-L133 HydrophobicContact CG-CD1 4.4Å; P128-T136 HydrophobicContact CG-CG2 3.98Å; P128-M137 HydrophobicContact CG-CB 4.39Å
129G77.4Confident84.5Confident3 Ų317.7 Ų17.73%0.0319%0.093CC..  trans-89.9-10.3177.800000115.3V42V42-G129 VanDerWaalsContact CG2-O 3.24Å; V42-G129 WeakPolarHBondContact CG2-O 3.44Å
130H81.7Confident84.3Confident61 Ų6115.2 Ų15.228%0.2828%0.081SC..SBendtrans-86.5139.3-170.5-169.144.1000109.7V42 I132 L133V42-H130 HydrophobicContact CG2-CB 3.9Å; H130-I132 WeakPolarHBondContact NE2-CD1 3.26Å; H130-I132 WeakPolarHBondContact NE2-CG1 3.43Å; H130-I132 PolarHBondContact O-N 3.39Å; H130-L133 HydrophobicContact CB-CD1 4.25Å; H130-L133 PolarHBondContact O-N 3.02Å
131D72.1Confident84.2Confident23 Ų2313.8 Ų13.812%0.1238%0.075CC..G310 helixtrans-68.9-21.3-171.470.3-53.6000113.1L133 M134 Q161 R445D131-L133 PolarHBondContact O-N 3.22Å; D131-M134 WeakPolarHBondContact O-CG 3.41Å; D131-Q161 HydrophobicContact CB-CG 4.28Å; D131-R445 PolarHBondContact O-NH1 2.57Å; D131-R445 IonicContact OD2-CZ 2.64Å; D131-R445 IonicContact OD2-NH1 2.62Å; D131-R445 PolarHBondContact OD2-NH1 2.99Å; D131-R445 IonicContact OD2-NH2 2.68Å; D131-R445 PolarHBondContact OD2-NH2 2.06Å
132I76.4Confident83.8Confident95 Ų9515.2 Ų15.249%0.4879%0.088SC..G310 helixtrans-66.3-28170.3-59.3-179.2000111.5H130H130-I132 WeakPolarHBondContact NE2-CD1 3.26Å; H130-I132 WeakPolarHBondContact NE2-CG1 3.43Å; H130-I132 PolarHBondContact O-N 3.39Å
133L79.1Confident83.5Confident26 Ų2615.6 Ų15.614%0.1369%0.09CC..G310 helixtrans-101.520.7-170-59.6172.2000112.9T70 I71 P128 H130 D131 A135 T136 M137T70-L133 WeakPolarHBondContact O-CD1 3.43Å; I71-L133 HydrophobicContact CG2-CD2 4.33Å; P128-L133 HydrophobicContact CB-CB 3.65Å; P128-L133 HydrophobicContact CB-CD1 3.63Å; P128-L133 HydrophobicContact CB-CG 4.3Å; P128-L133 HydrophobicContact CG-CB 3.65Å; P128-L133 HydrophobicContact CG-CD1 4.4Å; H130-L133 HydrophobicContact CB-CD1 4.25Å; H130-L133 PolarHBondContact O-N 3.02Å; D131-L133 PolarHBondContact O-N 3.22Å; L133-A135 PolarHBondContact O-N 3.44Å; L133-T136 WeakPolarHBondContact O-CB 3.35Å; L133-T136 PolarHBondContact O-N 3.46Å; L133-T136 VanDerWaalsContact O-N 3.09Å; L133-M137 PolarHBondContact O-N 2.88Å; L133-M137 VanDerWaalsContact O-N 3.09Å
134M80.3Confident83.5Confident4 Ų416.1 Ų16.12%0.029%0.093CC..Hα-helixtrans-58.8-33.8177.8-76.5-56.2-52.600113.1D131 T136 M137 L138 E164D131-M134 WeakPolarHBondContact O-CG 3.41Å; M134-T136 PolarHBondContact O-N 3.06Å; M134-M137 HydrophobicContact CE-SD 4.21Å; M134-M137 PolarHBondContact O-N 2.94Å; M134-L138 WeakPolarHBondContact O-CG 3.36Å; M134-L138 PolarHBondContact O-N 2.84Å; M134-E164 HydrophobicContact CE-CB 4.49Å; M134-E164 HydrophobicContact CE-CG 3.65Å; M134-E164 HydrophobicContact SD-CG 4.17Å
135A81.3Confident83.5Confident18 Ų1818.1 Ų18.115%0.14910%0.103CC..Hα-helixtrans-59.2-46.9174.100000111.6L133 M137 L138 N139 M398L133-A135 PolarHBondContact O-N 3.44Å; A135-M137 VanDerWaalsContact C-N 3.33Å; A135-M137 PolarHBondContact O-N 2.92Å; A135-L138 PolarHBondContact O-N 2.89Å; A135-N139 PolarHBondContact O-N 3.34Å; A135-N139 PolarHBondContact O-OD1 3.45Å; A135-M398 HydrophobicContact CB-CE 3.74Å; A135-M398 HydrophobicContact CB-SD 4.13Å
136T82.9Confident83.6Confident38 Ų3818.1 Ų18.123%0.23310%0.103CC..Hα-helixtrans-63.5-38.7177.4-52.50000111.8L73 P128 L133 M134 N139 G140L73-T136 HydrophobicContact CD2-CG2 4.15Å; L73-T136 HydrophobicContact CG-CG2 3.76Å; P128-T136 HydrophobicContact CG-CG2 3.98Å; L133-T136 WeakPolarHBondContact O-CB 3.35Å; L133-T136 PolarHBondContact O-N 3.46Å; L133-T136 VanDerWaalsContact O-N 3.09Å; M134-T136 PolarHBondContact O-N 3.06Å; T136-N139 PolarHBondContact O-N 3.32Å; T136-G140 PolarHBondContact O-N 3.09Å; T136-G140 VanDerWaalsContact O-N 3.09Å
137M84.4Confident83.8Confident0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-64.4-44.1176.2-178.8-86.6177.900111.9I39 C127 P128 L133 M134 A135 N139 G140 A141 H165 A168 V169I39-M137 HydrophobicContact CB-CE 4.36Å; I39-M137 HydrophobicContact CG2-CE 3.51Å; C127-M137 HydrophobicContact CB-CB 4.37Å; C127-M137 HydrophobicContact CB-CG 3.89Å; P128-M137 HydrophobicContact CG-CB 4.39Å; L133-M137 PolarHBondContact O-N 2.88Å; L133-M137 VanDerWaalsContact O-N 3.09Å; M134-M137 HydrophobicContact CE-SD 4.21Å; M134-M137 PolarHBondContact O-N 2.94Å; A135-M137 VanDerWaalsContact C-N 3.33Å; A135-M137 PolarHBondContact O-N 2.92Å; M137-N139 VanDerWaalsContact C-N 3.33Å; M137-N139 PolarHBondContact O-N 2.97Å; M137-G140 WeakPolarHBondContact O-CA 3.35Å; M137-G140 PolarHBondContact O-N 3.28Å; M137-G140 VanDerWaalsContact O-N 3.1Å; M137-A141 PolarHBondContact O-N 3.48Å; M137-H165 HydrophobicContact CE-CB 3.85Å; M137-A168 HydrophobicContact CE-CB 4.01Å; M137-A168 HydrophobicContact SD-CB 3.88Å; M137-V169 HydrophobicContact CE-CG2 4.11Å
138L85Confident84.2Confident2 Ų218.1 Ų18.11%0.0110%0.103CC..Hα-helixtrans-61.5-41.1176.6-74.4165.9000111.7M134 A135 G140 A141 A142 A168 N400 A435 L446M134-L138 WeakPolarHBondContact O-CG 3.36Å; M134-L138 PolarHBondContact O-N 2.84Å; A135-L138 PolarHBondContact O-N 2.89Å; L138-G140 VanDerWaalsContact C-N 3.26Å; L138-G140 PolarHBondContact O-N 3.09Å; L138-A141 WeakPolarHBondContact O-CB 3.45Å; L138-A141 PolarHBondContact O-N 3.09Å; L138-A141 VanDerWaalsContact O-N 3.14Å; L138-A142 PolarHBondContact O-N 3.28Å; L138-A168 HydrophobicContact CD2-CB 3.64Å; L138-N400 HydrophobicContact CB-CB 4.47Å; L138-N400 WeakPolarHBondContact CD1-ND2 3.31Å; L138-A435 HydrophobicContact CD1-CB 4.06Å; L138-A435 HydrophobicContact CD2-CB 3.97Å; L138-L446 HydrophobicContact CD1-CD1 4.32Å
139N84.2Confident84.7Confident15 Ų1518.1 Ų18.18%0.0810%0.103CC..Hα-helixtrans-62.9-34.6175.1-62.8-7.7000112A135 T136 M137 S403A135-N139 PolarHBondContact O-N 3.34Å; A135-N139 PolarHBondContact O-OD1 3.45Å; T136-N139 PolarHBondContact O-N 3.32Å; M137-N139 VanDerWaalsContact C-N 3.33Å; M137-N139 PolarHBondContact O-N 2.97Å; N139-S403 PolarHBondContact ND2-O 3.16Å; N139-S403 VanDerWaalsContact ND2-O 3.08Å; N139-S403 PolarHBondContact OD1-O 3.03Å
140G83Confident85.4Confident1 Ų118 Ų181%0.0110%0.102CC..Hα-helixtrans-70.7-36.8173.600000112.8T136 M137 L138 A142 V143 M144T136-G140 PolarHBondContact O-N 3.09Å; T136-G140 VanDerWaalsContact O-N 3.09Å; M137-G140 WeakPolarHBondContact O-CA 3.35Å; M137-G140 PolarHBondContact O-N 3.28Å; M137-G140 VanDerWaalsContact O-N 3.1Å; L138-G140 VanDerWaalsContact C-N 3.26Å; L138-G140 PolarHBondContact O-N 3.09Å; G140-A142 VanDerWaalsContact C-N 3.28Å; G140-A142 PolarHBondContact O-N 2.86Å; G140-V143 PolarHBondContact O-N 3.44Å; G140-M144 WeakPolarHBondContact O-CG 3.31Å
141A86Confident86Confident2 Ų215.1 Ų15.12%0.0179%0.089CC..Hα-helixtrans-63.7-31.7-177.700000113.2M137 L138 V143 M144 M172M137-A141 PolarHBondContact O-N 3.48Å; L138-A141 WeakPolarHBondContact O-CB 3.45Å; L138-A141 PolarHBondContact O-N 3.09Å; L138-A141 VanDerWaalsContact O-N 3.14Å; A141-V143 PolarHBondContact O-N 2.9Å; A141-V143 VanDerWaalsContact O-N 3.14Å; A141-M144 HydrophobicContact CB-SD 4.36Å; A141-M144 PolarHBondContact O-N 2.87Å; A141-M172 HydrophobicContact CB-CG 4.05Å
142A83.2Confident86.9Confident31 Ų3114 Ų1426%0.2568%0.083SC..THydrogen-bonded Turntrans-63-17.4177.600000114.3L138 G140 G402L138-A142 PolarHBondContact O-N 3.28Å; G140-A142 VanDerWaalsContact C-N 3.28Å; G140-A142 PolarHBondContact O-N 2.86Å; A142-G402 VanDerWaalsContact CB-O 3.3Å; A142-G402 WeakPolarHBondContact CB-O 3.26Å
143V86.1Confident87.5Confident8 Ų810 Ų105%0.0486%0.063CC..THydrogen-bonded Turntrans-106.6-10.4-173.9174.10000111.9N35 G140 A141 I251 S274 L329N35-V143 WeakPolarHBondContact CB-O 3.5Å; N35-V143 WeakPolarHBondContact ND2-CG1 3.48Å; N35-V143 PolarHBondContact ND2-O 2.81Å; N35-V143 VanDerWaalsContact ND2-O 3.11Å; G140-V143 PolarHBondContact O-N 3.44Å; A141-V143 PolarHBondContact O-N 2.9Å; A141-V143 VanDerWaalsContact O-N 3.14Å; V143-I251 HydrophobicContact CB-CD1 4.02Å; V143-I251 HydrophobicContact CG1-CD1 3.73Å; V143-I251 HydrophobicContact CG2-CD1 3.37Å; V143-I251 HydrophobicContact CG2-CG1 3.82Å; V143-S274 VanDerWaalsContact CG1-CB 3.42Å; V143-L329 HydrophobicContact CG1-CD2 4.48Å
144M90Very high87.9Confident11 Ų1112.5 Ų12.55%0.0548%0.076CC..  trans-75.8139.7-177-62.7173.1-17500111.1G37 V125 C127 G140 A141 L174G37-M144 VanDerWaalsContact CA-CE 3.49Å; G37-M144 VanDerWaalsContact CA-SD 3.56Å; V125-M144 HydrophobicContact CB-CE 4.3Å; V125-M144 HydrophobicContact CG1-CE 4.06Å; C127-M144 WeakPolarHBondContact SG-CE 3.25Å; G140-M144 WeakPolarHBondContact O-CG 3.31Å; A141-M144 HydrophobicContact CB-SD 4.36Å; A141-M144 PolarHBondContact O-N 2.87Å; M144-L174 HydrophobicContact CB-CD1 4.04Å; M144-L174 HydrophobicContact CB-CD2 4.11Å; M144-L174 WeakPolarHBondContact O-CD2 3.14Å; M144-L174 HydrophobicContact SD-CD1 4.25Å
145D91.8Very high88.2Confident42 Ų4214.1 Ų14.123%0.2258%0.084CC..SBendtrans-94.2-29.5165.7-56.8-65000110.9I34 N35 P238 R240I34-D145 HydrophobicContact CG2-CB 4.2Å; N35-D145 PolarHBondContact N-OD2 2.88Å; N35-D145 PolarHBondContact O-N 2.82Å; D145-P238 HydrophobicContact CB-CG 4.45Å; D145-R240 IonicContact OD1-NH2 3.86Å; D145-R240 IonicContact OD2-CZ 3.96Å; D145-R240 IonicContact OD2-NH2 3.42Å; D145-R240 PolarHBondContact OD2-NH2 3.41Å
146A92.4Very high88.3Confident0 Ų018.1 Ų18.10%011%0.106CC..EExtended strand (participates in β ladder)trans-145.8160.617900000111.3N35 I36 G37 Y176 I235N35-A146 PolarHBondContact O-N 2.79Å; I36-A146 CarbonylContact C-O 3.6Å; I36-A146 WeakPolarHBondContact CA-O 3.5Å; I36-A146 HydrophobicContact CG1-CB 4.5Å; G37-A146 PolarHBondContact N-O 2.87Å; A146-Y176 WeakPolarHBondContact CA-O 3.39Å; A146-I235 HydrophobicContact CB-CD1 3.61Å; A146-I235 HydrophobicContact CB-CG1 4.03Å; A146-I235 HydrophobicContact CB-CG2 3.88Å
147A93.1Very high88.1Confident1 Ų117.3 Ų17.31%0.00810%0.102CC..EExtended strand (participates in β ladder)trans-126.8139.417800000112.8G37 I39 V169 L174 Y176 I177 I178G37-A147 CarbonylContact O-C 3.56Å; G37-A147 WeakPolarHBondContact O-CA 3.47Å; I39-A147 HydrophobicContact CD1-CB 4.05Å; I39-A147 HydrophobicContact CG1-CB 4.49Å; A147-V169 HydrophobicContact CB-CG1 4.35Å; A147-L174 HydrophobicContact CB-CD1 4.38Å; A147-Y176 PolarHBondContact N-O 2.66Å; A147-I177 VanDerWaalsContact O-CA 3.31Å; A147-I177 WeakPolarHBondContact O-CA 3.06Å; A147-I178 PolarHBondContact O-N 3.02Å
148L94.2Very high87.8Confident0 Ų020.7 Ų20.70%012%0.124CC..EExtended strand (participates in β ladder)trans-99.9109.1167.3-60.5179.6000108.3I36 G37 T38 I39 F124 L150 I178 L180I36-L148 HydrophobicContact CG2-CD1 3.88Å; I36-L148 HydrophobicContact CG2-CD2 4.23Å; I36-L148 HydrophobicContact CG2-CG 3.57Å; G37-L148 PolarHBondContact O-N 2.84Å; T38-L148 HydrophobicContact CG2-CB 4.33Å; T38-L148 HydrophobicContact CG2-CD1 4.28Å; I39-L148 WeakPolarHBondContact CG1-O 3.42Å; I39-L148 PolarHBondContact N-O 3.23Å; F124-L148 HydrophobicContact CD1-CD1 4.36Å; F124-L148 HydrophobicContact CE1-CD1 3.8Å; L148-L150 HydrophobicContact CB-CD1 4.14Å; L148-L150 WeakPolarHBondContact O-CD1 3.5Å; L148-L150 PolarHBondContact O-N 2.86Å; L148-I178 CarbonylContact C-O 3.58Å; L148-I178 WeakPolarHBondContact CA-O 3.49Å; L148-I178 HydrophobicContact CD2-CB 3.75Å; L148-I178 HydrophobicContact CD2-CD1 4.17Å; L148-I178 HydrophobicContact CD2-CG1 4.46Å; L148-I178 HydrophobicContact CD2-CG2 4.26Å; L148-L180 HydrophobicContact CB-CD1 4.08Å; L148-L180 HydrophobicContact CD1-CD1 4.07Å; L148-L180 HydrophobicContact CD2-CD1 4.36Å; L148-L180 HydrophobicContact CG-CD1 4.39Å
149L93.8Very high87.7Confident0 Ų021.7 Ų21.70%013%0.129CC..EExtended strand (participates in β ladder)trans-85.8102.7174.4178.160.7000109.6I39 I151 T162 I177 I178 I179 L180I39-L149 HydrophobicContact CD1-CB 4.17Å; I39-L149 HydrophobicContact CD1-CD1 3.92Å; I39-L149 HydrophobicContact CG1-CB 4.08Å; I39-L149 HydrophobicContact CG1-CD1 3.74Å; L149-I151 HydrophobicContact CD2-CD1 4.29Å; L149-I151 HydrophobicContact CG-CD1 4.38Å; L149-I151 HydrophobicContact CG-CG1 4.26Å; L149-T162 HydrophobicContact CD1-CG2 4.01Å; L149-I177 HydrophobicContact CB-CG2 4.2Å; L149-I178 PolarHBondContact N-O 3.32Å; L149-I179 HydrophobicContact CB-CG1 4.23Å; L149-I179 HydrophobicContact CD2-CD1 4.32Å; L149-I179 HydrophobicContact CD2-CG1 4.28Å; L149-I179 CarbonylContact O-C 3.49Å; L149-I179 WeakPolarHBondContact O-CA 3.2Å; L149-L180 PolarHBondContact O-N 3.17Å
150L93.5Very high87.7Confident0 Ų022.1 Ų22.10%013%0.133CC..EExtended strand (participates in β ladder)trans-84.1135.4175.1-7584.4000110.7T38 I39 H44 G45 K46 V49 L148 L180T38-L150 HydrophobicContact CG2-CD1 4.14Å; I39-L150 PolarHBondContact O-N 3.48Å; H44-L150 HydrophobicContact CB-CB 4.09Å; H44-L150 PolarHBondContact ND1-O 3.38Å; G45-L150 WeakPolarHBondContact O-CD2 3.39Å; K46-L150 HydrophobicContact CB-CD2 4.43Å; K46-L150 HydrophobicContact CG-CB 4.38Å; K46-L150 HydrophobicContact CG-CD1 4.23Å; K46-L150 HydrophobicContact CG-CD2 4.22Å; V49-L150 HydrophobicContact CB-CD2 3.96Å; V49-L150 HydrophobicContact CG2-CD2 3.4Å; V49-L150 HydrophobicContact CG2-CG 4.34Å; L148-L150 HydrophobicContact CB-CD1 4.14Å; L148-L150 WeakPolarHBondContact O-CD1 3.5Å; L148-L150 PolarHBondContact O-N 2.86Å; L150-L180 HydrophobicContact CD1-CD1 4.31Å; L150-L180 HydrophobicContact CG-CB 4.24Å; L150-L180 HydrophobicContact CG-CD1 4.32Å
151I93.6Very high87.8Confident1 Ų123 Ų231%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-131.9123.4175.7-64.8-179.4000107.3L149 C157 I179 L180 Q181 N182 I199L149-I151 HydrophobicContact CD2-CD1 4.29Å; L149-I151 HydrophobicContact CG-CD1 4.38Å; L149-I151 HydrophobicContact CG-CG1 4.26Å; I151-C157 WeakPolarHBondContact CG2-SG 3.34Å; I151-I179 HydrophobicContact CD1-CG2 3.93Å; I151-L180 PolarHBondContact N-O 3.43Å; I151-Q181 CarbonylContact O-C 3.54Å; I151-Q181 WeakPolarHBondContact O-CA 3.17Å; I151-N182 PolarHBondContact O-N 2.75Å; I151-I199 HydrophobicContact CB-CD1 4.42Å; I151-I199 HydrophobicContact CD1-CD1 4.03Å; I151-I199 HydrophobicContact CD1-CG1 3.85Å; I151-I199 HydrophobicContact CD1-CG2 4.2Å; I151-I199 HydrophobicContact CG2-CD1 3.99Å; I151-I199 HydrophobicContact CG2-CG1 4.37Å
152A91.7Very high87.9Confident0 Ų023 Ų230%014%0.136CC..EExtended strand (participates in β ladder)trans-74.8133.8175.900000110H44 N154 E155 K183 Q195H44-A152 HydrophobicContact CB-CB 4.41Å; H44-A152 VanDerWaalsContact CD2-CB 3.45Å; H44-A152 WeakPolarHBondContact CD2-CB 3.3Å; H44-A152 PolarHBondContact CD2-N 2.77Å; A152-N154 VanDerWaalsContact C-N 3.27Å; A152-N154 WeakPolarHBondContact CB-OD1 3.29Å; A152-N154 PolarHBondContact O-N 3.09Å; A152-E155 HydrophobicContact CB-CB 4.33Å; A152-E155 HydrophobicContact CB-CG 4.25Å; A152-E155 PolarHBondContact O-N 3.17Å; A152-K183 HydrophobicContact CB-CD 4.34Å; A152-Q195 PolarHBondContact O-NE2 2.85Å
153S89.1Confident88.1Confident9 Ų922.8 Ų22.86%0.06313%0.133CC..THydrogen-bonded Turntrans-77-18.8-172.972.30000114.2E155 N182 K183 I184 I187S153-E155 VanDerWaalsContact C-N 3.32Å; S153-N182 WeakPolarHBondContact CB-O 3.49Å; S153-N182 PolarHBondContact N-O 3.48Å; S153-N182 PolarHBondContact OG-O 3.19Å; S153-N182 VanDerWaalsContact OG-O 3.09Å; S153-K183 PolarHBondContact OG-O 3.15Å; S153-I184 PolarHBondContact OG-N 2.92Å; S153-I187 VanDerWaalsContact OG-CD1 3.29Å; S153-I187 WeakPolarHBondContact OG-CD1 3.44Å; S153-I187 WeakPolarHBondContact OG-CG1 3.46Å
154N87.5Confident88.1Confident79 Ų7922.4 Ų22.442%0.42213%0.13SC..THydrogen-bonded Turntrans-83.2-4.7174.768.5-57000113.6A152 I187A152-N154 VanDerWaalsContact C-N 3.27Å; A152-N154 WeakPolarHBondContact CB-OD1 3.29Å; A152-N154 PolarHBondContact O-N 3.09Å; N154-I187 HydrophobicContact CB-CG2 4.32Å
155E86.6Confident88Confident38 Ų3821.9 Ų21.918%0.17813%0.128CC..SBendtrans-111.4147.1-178.6-70.8175.6-150.100111.2H41 A43 H44 A152 S153 Q195H41-E155 IonicContact CD2-OE2 3.51Å; A43-E155 VanDerWaalsContact CB-OE1 3.31Å; A43-E155 WeakPolarHBondContact CB-OE1 3.28Å; H44-E155 IonicContact CD2-OE2 3.87Å; H44-E155 PolarHBondContact CD2-OE2 2.81Å; H44-E155 IonicContact NE2-OE2 2.73Å; H44-E155 PolarHBondContact NE2-OE2 2.63Å; A152-E155 HydrophobicContact CB-CB 4.33Å; A152-E155 HydrophobicContact CB-CG 4.25Å; A152-E155 PolarHBondContact O-N 3.17Å; S153-E155 VanDerWaalsContact C-N 3.32Å; E155-Q195 PolarHBondContact O-NE2 2.88Å
156T82.3Confident87.8Confident102 Ų10220.1 Ų20.163%0.62612%0.118SC*.PPolyproline II helixtrans-69.4141.1175.250.70000110.7Q159T156-Q159 PolarHBondContact O-NE2 3.25Å
157C78.4Confident87.5Confident21 Ų2120.4 Ų20.414%0.14212%0.121CC..SBendtrans-102.3137.1175.4-74.10000111I151 Q198 I199I151-C157 WeakPolarHBondContact CG2-SG 3.34Å; C157-Q198 HydrophobicContact CB-CB 4.17Å; C157-I199 HydrophobicContact CB-CG1 4.38Å
158P78.8Confident87.2Confident72 Ų7220.4 Ų20.447%0.46812%0.12SC..PPolyproline II helixcis-93.21431.633.7-32.2000114.1F202P158-F202 HydrophobicContact CB-CD1 4.46Å; P158-F202 HydrophobicContact CB-CD2 3.54Å; P158-F202 HydrophobicContact CB-CE2 3.6Å; P158-F202 HydrophobicContact CB-CG 4Å; P158-F202 HydrophobicContact CB-CZ 4.11Å; P158-F202 HydrophobicContact CG-CD2 3.85Å; P158-F202 HydrophobicContact CG-CE2 4.13Å
159Q83.7Confident86.9Confident22 Ų2220.4 Ų20.410%0.10312%0.12CC..PPolyproline II helixtrans-77.6146.2165.9-68.9-60.6-4100111H41 T156 Q161 T162 S163H41-Q159 HydrophobicContact CB-CB 4.33Å; T156-Q159 PolarHBondContact O-NE2 3.25Å; Q159-Q161 VanDerWaalsContact C-N 3.33Å; Q159-Q161 PolarHBondContact O-N 2.88Å; Q159-T162 VanDerWaalsContact O-CB 3.31Å; Q159-T162 WeakPolarHBondContact O-CB 3.36Å; Q159-T162 PolarHBondContact O-N 3.34Å; Q159-S163 PolarHBondContact O-N 3.42Å
160P83.2Confident86.5Confident25 Ų2524 Ų2416%0.16214%0.137CC..Hα-helixtrans-55.3-40.2-178-25.832.5000114.7T162 S163 E164 R378P160-T162 VanDerWaalsContact C-N 3.35Å; P160-S163 PolarHBondContact O-N 2.72Å; P160-S163 PolarHBondContact O-OG 2.86Å; P160-E164 PolarHBondContact O-N 2.7Å; P160-R378 HydrophobicContact CG-CG 3.78Å
161Q85.5Confident86.1Confident20 Ų2024.2 Ų24.29%0.09314%0.139CC..Hα-helixtrans-74.8-27.8178.3-63.680.8-1.400111.9H41 D131 Q159 S163 E164 H165H41-Q161 PolarHBondContact CE1-OE1 3.45Å; H41-Q161 PolarHBondContact ND1-OE1 2.96Å; D131-Q161 HydrophobicContact CB-CG 4.28Å; Q159-Q161 VanDerWaalsContact C-N 3.33Å; Q159-Q161 PolarHBondContact O-N 2.88Å; Q161-S163 VanDerWaalsContact C-N 3.34Å; Q161-E164 PolarHBondContact O-N 3.19Å; Q161-H165 WeakPolarHBondContact O-CB 3.31Å; Q161-H165 PolarHBondContact O-N 2.93Å; Q161-H165 PolarHBondContact O-ND1 2.76Å; Q161-H165 VanDerWaalsContact O-ND1 3.15Å
162T88.1Confident85.6Confident2 Ų226.1 Ų26.11%0.01215%0.148CC..Hα-helixtrans-65.9-40175-63.20000110.8H44 L149 Q159 P160 L166 F202H44-T162 PolarHBondContact CE1-OG1 2.82Å; H44-T162 VanDerWaalsContact CE1-OG1 3.26Å; L149-T162 HydrophobicContact CD1-CG2 4.01Å; Q159-T162 VanDerWaalsContact O-CB 3.31Å; Q159-T162 WeakPolarHBondContact O-CB 3.36Å; Q159-T162 PolarHBondContact O-N 3.34Å; P160-T162 VanDerWaalsContact C-N 3.35Å; T162-L166 WeakPolarHBondContact O-CB 3.31Å; T162-L166 PolarHBondContact O-N 2.84Å; T162-F202 HydrophobicContact CG2-CE1 3.98Å; T162-F202 HydrophobicContact CG2-CZ 4.37Å
163S86.6Confident85.1Confident25 Ų2532.2 Ų32.218%0.17518%0.176CC..Hα-helixtrans-71.4-38.3174.961.90000113Q159 P160 Q161 L166 A167Q159-S163 PolarHBondContact O-N 3.42Å; P160-S163 PolarHBondContact O-N 2.72Å; P160-S163 PolarHBondContact O-OG 2.86Å; Q161-S163 VanDerWaalsContact C-N 3.34Å; S163-L166 PolarHBondContact O-N 3.31Å; S163-A167 WeakPolarHBondContact O-CB 3.47Å; S163-A167 PolarHBondContact O-N 3.06Å
164E85.7Confident84.9Confident0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-64.2-44.9175.4-165175.4-165.100112.1M134 P160 Q161 A167 A168 L375 L446M134-E164 HydrophobicContact CE-CB 4.49Å; M134-E164 HydrophobicContact CE-CG 3.65Å; M134-E164 HydrophobicContact SD-CG 4.17Å; P160-E164 PolarHBondContact O-N 2.7Å; Q161-E164 PolarHBondContact O-N 3.19Å; E164-A167 PolarHBondContact O-N 3.07Å; E164-A168 PolarHBondContact O-N 3.19Å; E164-L375 HydrophobicContact CB-CB 4.21Å; E164-L375 HydrophobicContact CG-CB 4.36Å; E164-L446 HydrophobicContact CG-CB 4.49Å; E164-L446 PolarHBondContact OE1-N 3.26Å
165H88.5Confident84.6Confident1 Ų136.7 Ų36.71%0.00519%0.192CC..Hα-helixtrans-65.1-40.5176-69.7150.2000113.2I39 G40 M137 Q161 A167 A168 V169I39-H165 HydrophobicContact CB-CB 4.11Å; G40-H165 PolarHBondContact N-ND1 2.79Å; G40-H165 PolarHBondContact O-CE1 2.97Å; G40-H165 PolarHBondContact O-ND1 3.31Å; M137-H165 HydrophobicContact CE-CB 3.85Å; Q161-H165 WeakPolarHBondContact O-CB 3.31Å; Q161-H165 PolarHBondContact O-N 2.93Å; Q161-H165 PolarHBondContact O-ND1 2.76Å; Q161-H165 VanDerWaalsContact O-ND1 3.15Å; H165-A167 VanDerWaalsContact C-N 3.3Å; H165-A167 PolarHBondContact O-N 2.9Å; H165-A168 WeakPolarHBondContact O-CB 3.49Å; H165-A168 PolarHBondContact O-N 3.34Å; H165-V169 VanDerWaalsContact O-CG2 3.23Å; H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.36Å
166L88.7Confident84.8Confident5 Ų539.6 Ų39.63%0.02620%0.201CC..Hα-helixtrans-62.9-40.3177.5-177.362000110.9T162 S163 V169 E170 I177 F202 T206 A208T162-L166 WeakPolarHBondContact O-CB 3.31Å; T162-L166 PolarHBondContact O-N 2.84Å; S163-L166 PolarHBondContact O-N 3.31Å; L166-V169 PolarHBondContact O-N 2.76Å; L166-E170 WeakPolarHBondContact O-CB 3.5Å; L166-E170 PolarHBondContact O-N 2.9Å; L166-I177 HydrophobicContact CD1-CD1 4.28Å; L166-F202 HydrophobicContact CD2-CD1 4.46Å; L166-F202 HydrophobicContact CD2-CE1 3.58Å; L166-F202 HydrophobicContact CD2-CZ 3.66Å; L166-T206 HydrophobicContact CD2-CG2 3.97Å; L166-A208 HydrophobicContact CD1-CB 4.12Å
167A85.9Confident85.3Confident6 Ų635.2 Ų35.25%0.0517%0.174CC..Hα-helixtrans-66-38.2174.600000112.7S163 E164 H165 V169 E170 I171 L375 L446S163-A167 WeakPolarHBondContact O-CB 3.47Å; S163-A167 PolarHBondContact O-N 3.06Å; E164-A167 PolarHBondContact O-N 3.07Å; H165-A167 VanDerWaalsContact C-N 3.3Å; H165-A167 PolarHBondContact O-N 2.9Å; A167-V169 VanDerWaalsContact C-N 3.32Å; A167-V169 PolarHBondContact O-N 2.95Å; A167-E170 WeakPolarHBondContact O-CB 3.43Å; A167-E170 PolarHBondContact O-N 3.37Å; A167-I171 VanDerWaalsContact O-CG1 3.25Å; A167-I171 WeakPolarHBondContact O-CG1 3.39Å; A167-I171 PolarHBondContact O-N 3.1Å; A167-L375 HydrophobicContact CB-CD1 3.18Å; A167-L446 HydrophobicContact CB-CD2 4.44Å
168A85.7Confident86Confident0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-60.4-41.8173.800000112.2M137 L138 E164 H165 I171 M172 L446M137-A168 HydrophobicContact CE-CB 4.01Å; M137-A168 HydrophobicContact SD-CB 3.88Å; L138-A168 HydrophobicContact CD2-CB 3.64Å; E164-A168 PolarHBondContact O-N 3.19Å; H165-A168 WeakPolarHBondContact O-CB 3.49Å; H165-A168 PolarHBondContact O-N 3.34Å; A168-I171 PolarHBondContact O-N 3Å; A168-M172 WeakPolarHBondContact O-CG 3.42Å; A168-M172 PolarHBondContact O-N 2.76Å; A168-L446 HydrophobicContact CB-CD2 4.33Å
169V88.4Confident86.8Confident0 Ų030.9 Ų30.90%015%0.146CC..Hα-helixtrans-68.4-36.7177.1165.30000111.6I39 M137 A147 H165 L166 A167 M172 Q173 L174 I177I39-V169 HydrophobicContact CD1-CB 4.4Å; I39-V169 HydrophobicContact CD1-CG2 3.56Å; I39-V169 HydrophobicContact CG2-CG2 4.21Å; M137-V169 HydrophobicContact CE-CG2 4.11Å; A147-V169 HydrophobicContact CB-CG1 4.35Å; H165-V169 VanDerWaalsContact O-CG2 3.23Å; H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.36Å; L166-V169 PolarHBondContact O-N 2.76Å; A167-V169 VanDerWaalsContact C-N 3.32Å; A167-V169 PolarHBondContact O-N 2.95Å; V169-M172 PolarHBondContact O-N 3.35Å; V169-Q173 PolarHBondContact O-N 3.37Å; V169-Q173 VanDerWaalsContact O-N 3.17Å; V169-L174 HydrophobicContact CB-CD1 4.21Å; V169-L174 HydrophobicContact CG1-CB 3.73Å; V169-L174 HydrophobicContact CG1-CD1 3.78Å; V169-L174 HydrophobicContact CG1-CG 4.29Å; V169-L174 HydrophobicContact CG2-CD1 4.09Å; V169-L174 PolarHBondContact O-N 3.14Å; V169-I177 HydrophobicContact CG1-CD1 3.63Å; V169-I177 HydrophobicContact CG1-CG1 4.17Å
170E86Confident87.3Confident75 Ų7529.9 Ų29.935%0.3514%0.141SC..Hα-helixtrans-63.5-43173.7179.3169.1-149.800112.1L166 A167 M172 Q173 V207L166-E170 WeakPolarHBondContact O-CB 3.5Å; L166-E170 PolarHBondContact O-N 2.9Å; A167-E170 WeakPolarHBondContact O-CB 3.43Å; A167-E170 PolarHBondContact O-N 3.37Å; E170-M172 VanDerWaalsContact C-N 3.32Å; E170-M172 PolarHBondContact O-N 2.87Å; E170-Q173 WeakPolarHBondContact O-CA 3.31Å; E170-Q173 PolarHBondContact O-N 2.83Å; E170-V207 HydrophobicContact CB-CG1 4.41Å; E170-V207 HydrophobicContact CB-CG2 3.94Å; E170-V207 HydrophobicContact CG-CG1 3.95Å; E170-V207 HydrophobicContact CG-CG2 4.31Å
171I84.9Confident87.9Confident6 Ų629.1 Ų29.13%0.03114%0.135CC..Hα-helixtrans-59.6-44.8174.9-69.4164.7000111A167 A168 Q173 L446 W449A167-I171 VanDerWaalsContact O-CG1 3.25Å; A167-I171 WeakPolarHBondContact O-CG1 3.39Å; A167-I171 PolarHBondContact O-N 3.1Å; A168-I171 PolarHBondContact O-N 3Å; I171-Q173 PolarHBondContact O-N 2.85Å; I171-L446 HydrophobicContact CD1-CD1 3.98Å; I171-L446 HydrophobicContact CD1-CD2 3.71Å; I171-L446 HydrophobicContact CD1-CG 4.19Å; I171-W449 HydrophobicContact CB-CB 4.23Å; I171-W449 HydrophobicContact CB-CG 4.43Å; I171-W449 HydrophobicContact CD1-CB 4.02Å; I171-W449 HydrophobicContact CD1-CD2 4.4Å; I171-W449 HydrophobicContact CD1-CE3 3.85Å; I171-W449 HydrophobicContact CG1-CB 3.9Å; I171-W449 HydrophobicContact CG1-CD2 3.78Å; I171-W449 HydrophobicContact CG1-CE3 3.5Å; I171-W449 HydrophobicContact CG1-CG 3.98Å; I171-W449 HydrophobicContact CG1-CZ3 4.16Å; I171-W449 HydrophobicContact CG2-CB 3.3Å; I171-W449 HydrophobicContact CG2-CD2 4.46Å; I171-W449 HydrophobicContact CG2-CG 3.8Å
172M82.6Confident88.3Confident41 Ų4128.4 Ų28.420%0.20213%0.132CC..THydrogen-bonded Turntrans-70.7-6.8177.8-64-58.9141.700112.8A141 A168 V169 E170 L174 A435A141-M172 HydrophobicContact CB-CG 4.05Å; A168-M172 WeakPolarHBondContact O-CG 3.42Å; A168-M172 PolarHBondContact O-N 2.76Å; V169-M172 PolarHBondContact O-N 3.35Å; E170-M172 VanDerWaalsContact C-N 3.32Å; E170-M172 PolarHBondContact O-N 2.87Å; M172-L174 VanDerWaalsContact C-N 3.3Å; M172-L174 HydrophobicContact CB-CG 4.31Å; M172-L174 PolarHBondContact O-N 2.82Å; M172-A435 HydrophobicContact CE-CB 4.35Å
173Q81.1Confident88.5Confident127 Ų12730.6 Ų30.659%0.59314%0.142SC*.THydrogen-bonded Turntrans55.741-177.7-70.2177.6-13.700113.3V169 E170 I171 K175V169-Q173 PolarHBondContact O-N 3.37Å; V169-Q173 VanDerWaalsContact O-N 3.17Å; E170-Q173 WeakPolarHBondContact O-CA 3.31Å; E170-Q173 PolarHBondContact O-N 2.83Å; I171-Q173 PolarHBondContact O-N 2.85Å; Q173-K175 PolarHBondContact O-N 2.88Å
174L84.6Confident88.8Confident13 Ų1331.5 Ų31.57%0.06814%0.144CC..  trans-67.8116.3171.7-69.2171.6000109.3M144 A147 V169 M172M144-L174 HydrophobicContact CB-CD1 4.04Å; M144-L174 HydrophobicContact CB-CD2 4.11Å; M144-L174 WeakPolarHBondContact O-CD2 3.14Å; M144-L174 HydrophobicContact SD-CD1 4.25Å; A147-L174 HydrophobicContact CB-CD1 4.38Å; V169-L174 HydrophobicContact CB-CD1 4.21Å; V169-L174 HydrophobicContact CG1-CB 3.73Å; V169-L174 HydrophobicContact CG1-CD1 3.78Å; V169-L174 HydrophobicContact CG1-CG 4.29Å; V169-L174 HydrophobicContact CG2-CD1 4.09Å; V169-L174 PolarHBondContact O-N 3.14Å; M172-L174 VanDerWaalsContact C-N 3.3Å; M172-L174 HydrophobicContact CB-CG 4.31Å; M172-L174 PolarHBondContact O-N 2.82Å
175K81.2Confident89Confident170 Ų17035 Ų3574%0.73916%0.162SC*.  trans-79.9-33-176.7-63.3-178-178.5178.10112.8Q173Q173-K175 PolarHBondContact O-N 2.88Å
176Y91.1Very high89.2Confident98 Ų9840.1 Ų40.138%0.38419%0.189SC..EExtended strand (participates in β ladder)trans-104.6106.8-171.7-56.8-70.9000110.1A146 A147 H234 P236A146-Y176 WeakPolarHBondContact CA-O 3.39Å; A147-Y176 PolarHBondContact N-O 2.66Å; Y176-H234 WeakPolarHBondContact CD1-O 3.15Å; Y176-P236 HydrophobicContact CD2-CG 4.29Å; Y176-P236 VanDerWaalsContact CE1-CD 3.45Å; Y176-P236 HydrophobicContact CE1-CG 3.83Å; Y176-P236 HydrophobicContact CE2-CG 3.54Å; Y176-P236 VanDerWaalsContact CZ-CD 3.42Å; Y176-P236 WeakPolarHBondContact OH-CG 3.47Å
177I92.7Very high89.3Confident10 Ų1041.4 Ų41.45%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-124.4132.4177.6-57173.1000107.9A147 L149 L166 V169 I179 V207 A208 A211A147-I177 VanDerWaalsContact O-CA 3.31Å; A147-I177 WeakPolarHBondContact O-CA 3.06Å; L149-I177 HydrophobicContact CB-CG2 4.2Å; L166-I177 HydrophobicContact CD1-CD1 4.28Å; V169-I177 HydrophobicContact CG1-CD1 3.63Å; V169-I177 HydrophobicContact CG1-CG1 4.17Å; I177-I179 HydrophobicContact CG2-CG1 4.32Å; I177-V207 HydrophobicContact CD1-CG2 3.75Å; I177-A208 HydrophobicContact CB-CB 4.46Å; I177-A208 HydrophobicContact CD1-CB 4Å; I177-A208 HydrophobicContact CG2-CB 4.27Å; I177-A211 VanDerWaalsContact O-CB 3.23Å; I177-A211 WeakPolarHBondContact O-CB 3.48Å
178I94.2Very high89.6Confident3 Ų348.5 Ų48.52%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-118134.3170.1-60.9165.4000107.1A147 L148 L149 L180 P212 V214 I231 I235A147-I178 PolarHBondContact O-N 3.02Å; L148-I178 CarbonylContact C-O 3.58Å; L148-I178 WeakPolarHBondContact CA-O 3.49Å; L148-I178 HydrophobicContact CD2-CB 3.75Å; L148-I178 HydrophobicContact CD2-CD1 4.17Å; L148-I178 HydrophobicContact CD2-CG1 4.46Å; L148-I178 HydrophobicContact CD2-CG2 4.26Å; L149-I178 PolarHBondContact N-O 3.32Å; I178-L180 HydrophobicContact CG2-CD2 3.98Å; I178-P212 HydrophobicContact CG1-CG 4.28Å; I178-P212 HydrophobicContact CG2-CG 4.37Å; I178-V214 HydrophobicContact CG2-CG2 4.27Å; I178-I231 HydrophobicContact CD1-CG1 4.21Å; I178-I235 HydrophobicContact CD1-CD1 3.83Å; I178-I235 HydrophobicContact CD1-CG1 4.11Å
179I94.4Very high89.9Confident0 Ų054.8 Ų54.80%026%0.255CS..EExtended strand (participates in β ladder)trans-103.2127.2-176.4-54.6-178.7000108.1L149 I151 I177 I199 I203 A208 A211 P212 V213 V214L149-I179 HydrophobicContact CB-CG1 4.23Å; L149-I179 HydrophobicContact CD2-CD1 4.32Å; L149-I179 HydrophobicContact CD2-CG1 4.28Å; L149-I179 CarbonylContact O-C 3.49Å; L149-I179 WeakPolarHBondContact O-CA 3.2Å; I151-I179 HydrophobicContact CD1-CG2 3.93Å; I177-I179 HydrophobicContact CG2-CG1 4.32Å; I179-I199 HydrophobicContact CD1-CG2 4.48Å; I179-I199 HydrophobicContact CG2-CG2 4.08Å; I179-I203 HydrophobicContact CD1-CD1 3.05Å; I179-I203 HydrophobicContact CD1-CG1 3.67Å; I179-A208 HydrophobicContact CD1-CB 4.41Å; I179-A211 HydrophobicContact CD1-CB 3.98Å; I179-A211 HydrophobicContact CG1-CB 4.03Å; I179-P212 PolarHBondContact N-O 3.21Å; I179-V213 HydrophobicContact CB-CB 4.49Å; I179-V213 HydrophobicContact CB-CG1 4.45Å; I179-V213 HydrophobicContact CB-CG2 4.18Å; I179-V213 HydrophobicContact CG2-CG1 4.17Å; I179-V213 HydrophobicContact CG2-CG2 4.37Å; I179-V213 CarbonylContact O-C 3.53Å; I179-V213 VanDerWaalsContact O-CA 3.32Å; I179-V213 WeakPolarHBondContact O-CA 3.43Å; I179-V214 PolarHBondContact O-N 2.62Å
180L95Very high90.1Very high0 Ų058.1 Ų58.10%028%0.278CS..EExtended strand (participates in β ladder)trans-112.2111.3-177.8-59.3-177.9000108.8V49 L148 L149 L150 I151 I178 N182 V214 I216 V227V49-L180 HydrophobicContact CG1-CD1 4.01Å; L148-L180 HydrophobicContact CB-CD1 4.08Å; L148-L180 HydrophobicContact CD1-CD1 4.07Å; L148-L180 HydrophobicContact CD2-CD1 4.36Å; L148-L180 HydrophobicContact CG-CD1 4.39Å; L149-L180 PolarHBondContact O-N 3.17Å; L150-L180 HydrophobicContact CD1-CD1 4.31Å; L150-L180 HydrophobicContact CG-CB 4.24Å; L150-L180 HydrophobicContact CG-CD1 4.32Å; I151-L180 PolarHBondContact N-O 3.43Å; I178-L180 HydrophobicContact CG2-CD2 3.98Å; L180-N182 PolarHBondContact O-N 2.82Å; L180-V214 WeakPolarHBondContact CA-O 3.47Å; L180-V214 HydrophobicContact CD2-CB 3.98Å; L180-V214 HydrophobicContact CD2-CG2 4.47Å; L180-I216 HydrophobicContact CB-CD1 3.89Å; L180-I216 HydrophobicContact CB-CG1 4.37Å; L180-I216 HydrophobicContact CD1-CD1 3.9Å; L180-I216 HydrophobicContact CD2-CD1 4.32Å; L180-I216 HydrophobicContact CG-CD1 4.26Å; L180-V227 HydrophobicContact CD1-CG1 4.49Å; L180-V227 HydrophobicContact CD2-CG1 4.23Å; L180-V227 HydrophobicContact CD2-CG2 3.64Å
181Q94.2Very high90.3Very high9 Ų959.1 Ų59.14%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-82.895.6170-179.7-178.728.600107.6I151 I184 A192 V213 V214 P215 I216I151-Q181 CarbonylContact O-C 3.54Å; I151-Q181 WeakPolarHBondContact O-CA 3.17Å; Q181-I184 HydrophobicContact CG-CG2 4.24Å; Q181-I184 WeakPolarHBondContact O-CG2 3.48Å; Q181-A192 PolarHBondContact NE2-O 2.97Å; Q181-V213 HydrophobicContact CB-CG1 4.24Å; Q181-V214 PolarHBondContact N-O 3.45Å; Q181-P215 CarbonylContact O-C 3.55Å; Q181-P215 WeakPolarHBondContact O-CA 3.24Å; Q181-I216 PolarHBondContact O-N 2.77Å
182N94Very high90.6Very high5 Ų559.6 Ų59.63%0.02729%0.288CS..EExtended strand (participates in β ladder)trans-90.5161.8-174.9-167.623.4000112H44 I151 S153 L180 I216 A218H44-N182 PolarHBondContact O-ND2 3.3Å; I151-N182 PolarHBondContact O-N 2.75Å; S153-N182 WeakPolarHBondContact CB-O 3.49Å; S153-N182 PolarHBondContact N-O 3.48Å; S153-N182 PolarHBondContact OG-O 3.19Å; S153-N182 VanDerWaalsContact OG-O 3.09Å; L180-N182 PolarHBondContact O-N 2.82Å; N182-I216 CarbonylContact C-O 3.36Å; N182-I216 WeakPolarHBondContact CA-O 3.5Å; N182-I216 HydrophobicContact CB-CG1 4.19Å; N182-A218 WeakPolarHBondContact OD1-CB 3.48Å; N182-A218 PolarHBondContact OD1-N 3.39Å
183K93.8Very high91.1Very high49 Ų4965.3 Ų65.321%0.21331%0.307CS..  trans66.530.2179.4-50.2-172.6-171.2171.20115.2A43 A152 S153 D185 L186 I216A43-K183 WeakPolarHBondContact O-CE 3.46Å; A43-K183 PolarHBondContact O-NZ 3.01Å; A152-K183 HydrophobicContact CB-CD 4.34Å; S153-K183 PolarHBondContact OG-O 3.15Å; K183-D185 WeakPolarHBondContact CA-OD1 3.13Å; K183-D185 PolarHBondContact O-N 3.37Å; K183-L186 HydrophobicContact CB-CD1 4.15Å; K183-L186 HydrophobicContact CB-CG 4.43Å; K183-L186 HydrophobicContact CD-CD1 4.04Å; K183-L186 PolarHBondContact O-N 3.22Å; K183-I216 PolarHBondContact N-O 2.87Å
184I91.7Very high91.7Very high43 Ų4365.1 Ų65.122%0.22131%0.306CS..G310 helixtrans-58.5-20.7176.965.7179.3000113.2S153 Q181 L186 I187 P215 I216S153-I184 PolarHBondContact OG-N 2.92Å; Q181-I184 HydrophobicContact CG-CG2 4.24Å; Q181-I184 WeakPolarHBondContact O-CG2 3.48Å; I184-L186 PolarHBondContact O-N 2.99Å; I184-I187 PolarHBondContact O-N 3.25Å; I184-P215 HydrophobicContact CD1-CB 4.18Å; I184-P215 HydrophobicContact CG2-CB 3.87Å; I184-I216 WeakPolarHBondContact CG1-O 3.41Å; I184-I216 PolarHBondContact N-O 3.33Å
185D91.3Very high92Very high73 Ų7364.8 Ų64.839%0.3931%0.305SS..G310 helixtrans-63.2-20174.652.5-71.7000114K183 S217 L220K183-D185 WeakPolarHBondContact CA-OD1 3.13Å; K183-D185 PolarHBondContact O-N 3.37Å; D185-S217 VanDerWaalsContact CG-OG 3.3Å; D185-S217 VanDerWaalsContact OD1-CB 3.31Å; D185-S217 WeakPolarHBondContact OD1-CB 3.49Å; D185-S217 PolarHBondContact OD1-OG 2.88Å; D185-L220 HydrophobicContact CB-CD1 3.8Å
186L91.2Very high92.5Very high110 Ų11061.5 Ų61.558%0.57629%0.288SS*.G310 helixtrans-94.5-8.1-177.7-60.3-178.6000114.2K183 I184K183-L186 HydrophobicContact CB-CD1 4.15Å; K183-L186 HydrophobicContact CB-CG 4.43Å; K183-L186 HydrophobicContact CD-CD1 4.04Å; K183-L186 PolarHBondContact O-N 3.22Å; I184-L186 PolarHBondContact O-N 2.99Å
187I91.5Very high92.6Very high31 Ų3160.5 Ų60.516%0.15930%0.295CS..SBendtrans-128.8159-171.458.9159.8000112.2S153 N154 I184 Q191 A192S153-I187 VanDerWaalsContact OG-CD1 3.29Å; S153-I187 WeakPolarHBondContact OG-CD1 3.44Å; S153-I187 WeakPolarHBondContact OG-CG1 3.46Å; N154-I187 HydrophobicContact CB-CG2 4.32Å; I184-I187 PolarHBondContact O-N 3.25Å; I187-Q191 HydrophobicContact CB-CB 4.43Å; I187-A192 HydrophobicContact CD1-CB 3.59Å; I187-A192 HydrophobicContact CG1-CB 4.5Å
188K92.7Very high92.5Very high155 Ų15563.8 Ų63.867%0.67431%0.31SS*.  trans-79.3156.9173.2-64.5-178.1-178.8179.60110.8S190 Q191 A192K188-S190 VanDerWaalsContact C-N 3.28Å; K188-S190 PolarHBondContact O-N 3.27Å; K188-Q191 PolarHBondContact O-N 3.34Å; K188-Q191 VanDerWaalsContact O-N 3.16Å; K188-A192 PolarHBondContact O-N 3.18Å
189E90.8Very high92.4Very high132 Ų13263.6 Ų63.662%0.61731%0.31SS*.Hα-helixtrans-57.4-38.3179.2-168.7-176171.500113.1Q191 A192 R193E189-Q191 PolarHBondContact O-N 2.73Å; E189-A192 WeakPolarHBondContact O-CB 3.37Å; E189-A192 PolarHBondContact O-N 3.18Å; E189-R193 WeakPolarHBondContact O-CG 3.22Å; E189-R193 PolarHBondContact O-N 3.25Å; E189-R193 IonicContact OE1-CZ 3.4Å; E189-R193 IonicContact OE1-NE 3.41Å; E189-R193 PolarHBondContact OE1-NE 3.3Å; E189-R193 IonicContact OE1-NH2 2.65Å; E189-R193 PolarHBondContact OE1-NH2 2.76Å
190S92.3Very high92.3Very high70 Ų7066.8 Ų66.849%0.4933%0.326SS..Hα-helixtrans-61.1-45.8177.356.50000112.3K188 A192 R193 E194K188-S190 VanDerWaalsContact C-N 3.28Å; K188-S190 PolarHBondContact O-N 3.27Å; S190-A192 VanDerWaalsContact C-N 3.31Å; S190-A192 PolarHBondContact O-N 3Å; S190-R193 PolarHBondContact O-N 2.87Å; S190-E194 WeakPolarHBondContact O-CG 3.34Å; S190-E194 PolarHBondContact O-N 3.26Å
191Q91.5Very high92.1Very high96 Ų9676.4 Ų76.445%0.44936%0.363SS..Hα-helixtrans-64.4-37.6176.6-67.3175.2-21.700111.4I187 K188 E189 R193 E194 Q195I187-Q191 HydrophobicContact CB-CB 4.43Å; K188-Q191 PolarHBondContact O-N 3.34Å; K188-Q191 VanDerWaalsContact O-N 3.16Å; E189-Q191 PolarHBondContact O-N 2.73Å; Q191-R193 VanDerWaalsContact C-N 3.32Å; Q191-R193 PolarHBondContact O-N 3.17Å; Q191-E194 PolarHBondContact O-N 3.16Å; Q191-Q195 WeakPolarHBondContact O-CB 3.15Å; Q191-Q195 PolarHBondContact O-N 3.49Å
192A91Very high91.8Very high17 Ų1778 Ų7814%0.1437%0.369CS..Hα-helixtrans-61.8-41.1176.500000111.6Q181 I187 K188 E189 S190 Y196Q181-A192 PolarHBondContact NE2-O 2.97Å; I187-A192 HydrophobicContact CD1-CB 3.59Å; I187-A192 HydrophobicContact CG1-CB 4.5Å; K188-A192 PolarHBondContact O-N 3.18Å; E189-A192 WeakPolarHBondContact O-CB 3.37Å; E189-A192 PolarHBondContact O-N 3.18Å; S190-A192 VanDerWaalsContact C-N 3.31Å; S190-A192 PolarHBondContact O-N 3Å; A192-Y196 WeakPolarHBondContact O-CB 3.13Å; A192-Y196 PolarHBondContact O-N 3.48Å
193R92.9Very high91.5Very high160 Ų16078 Ų7860%0.60437%0.369SS*.Hα-helixtrans-69.5-38.7176.8-67.8178.3-172-169.82.8112.8E189 S190 Q191 Q195 Y196 S197E189-R193 WeakPolarHBondContact O-CG 3.22Å; E189-R193 PolarHBondContact O-N 3.25Å; E189-R193 IonicContact OE1-CZ 3.4Å; E189-R193 IonicContact OE1-NE 3.41Å; E189-R193 PolarHBondContact OE1-NE 3.3Å; E189-R193 IonicContact OE1-NH2 2.65Å; E189-R193 PolarHBondContact OE1-NH2 2.76Å; S190-R193 PolarHBondContact O-N 2.87Å; Q191-R193 VanDerWaalsContact C-N 3.32Å; Q191-R193 PolarHBondContact O-N 3.17Å; R193-Q195 VanDerWaalsContact C-N 3.35Å; R193-Y196 WeakPolarHBondContact O-CB 3.41Å; R193-Y196 PolarHBondContact O-N 2.79Å; R193-S197 PolarHBondContact O-N 2.98Å; R193-S197 VanDerWaalsContact O-N 3.1Å; R193-S197 PolarHBondContact O-OG 3.37Å
194E92.8Very high91.2Very high123 Ų12382.1 Ų82.158%0.57539%0.39SS*.Hα-helixtrans-61-46.6173.8-74.9174.6-168.700111S190 Q191 Y196 S197 Q198S190-E194 WeakPolarHBondContact O-CG 3.34Å; S190-E194 PolarHBondContact O-N 3.26Å; Q191-E194 PolarHBondContact O-N 3.16Å; E194-Y196 PolarHBondContact O-N 2.93Å; E194-S197 WeakPolarHBondContact O-CB 3.32Å; E194-S197 PolarHBondContact O-N 2.96Å; E194-Q198 PolarHBondContact O-N 2.86Å; E194-Q198 VanDerWaalsContact O-N 3.11Å
195Q91.5Very high90.8Very high7 Ų783.1 Ų83.13%0.03341%0.41CS..Hα-helixtrans-66-38.5177.7-162.5-160.932.800112A152 E155 Q191 R193 S197 Q198 I199A152-Q195 PolarHBondContact O-NE2 2.85Å; E155-Q195 PolarHBondContact O-NE2 2.88Å; Q191-Q195 WeakPolarHBondContact O-CB 3.15Å; Q191-Q195 PolarHBondContact O-N 3.49Å; R193-Q195 VanDerWaalsContact C-N 3.35Å; Q195-S197 VanDerWaalsContact C-N 3.26Å; Q195-S197 PolarHBondContact O-N 2.88Å; Q195-Q198 WeakPolarHBondContact O-CA 2.8Å; Q195-Q198 WeakPolarHBondContact O-CB 3.27Å; Q195-Q198 PolarHBondContact O-N 3.13Å; Q195-I199 HydrophobicContact CG-CD1 4.28Å; Q195-I199 VanDerWaalsContact O-CG1 3.3Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 2.89Å
196Y92.7Very high90.5Very high101 Ų10181 Ų8140%0.39640%0.4SS..Hα-helixtrans-55.2-43.1172.8173.9-99.6000111.7A192 R193 E194 Q198 I199 L200 V213A192-Y196 WeakPolarHBondContact O-CB 3.13Å; A192-Y196 PolarHBondContact O-N 3.48Å; R193-Y196 WeakPolarHBondContact O-CB 3.41Å; R193-Y196 PolarHBondContact O-N 2.79Å; E194-Y196 PolarHBondContact O-N 2.93Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 3.46Å; Y196-I199 WeakPolarHBondContact O-CB 3.4Å; Y196-I199 PolarHBondContact O-N 2.8Å; Y196-L200 HydrophobicContact CD1-CD1 4.02Å; Y196-L200 HydrophobicContact CD1-CG 4.47Å; Y196-L200 HydrophobicContact CE1-CD1 3.39Å; Y196-L200 HydrophobicContact CE1-CG 4.08Å; Y196-L200 HydrophobicContact CE2-CD1 4.48Å; Y196-L200 HydrophobicContact CE2-CD2 4.48Å; Y196-L200 HydrophobicContact CE2-CG 4.38Å; Y196-L200 WeakPolarHBondContact O-CG 3.27Å; Y196-L200 PolarHBondContact O-N 3.47Å; Y196-V213 HydrophobicContact CD2-CB 3.91Å; Y196-V213 HydrophobicContact CD2-CG1 3.97Å; Y196-V213 HydrophobicContact CD2-CG2 4.09Å; Y196-V213 HydrophobicContact CE2-CB 3.68Å; Y196-V213 HydrophobicContact CE2-CG1 4.27Å; Y196-V213 HydrophobicContact CE2-CG2 3.73Å
197S92.7Very high90.1Very high76 Ų7678.6 Ų78.653%0.53139%0.39SS..Hα-helixtrans-62.5-38.5173.8-59.90000112.8R193 E194 Q195 R201R193-S197 PolarHBondContact O-N 2.98Å; R193-S197 VanDerWaalsContact O-N 3.1Å; R193-S197 PolarHBondContact O-OG 3.37Å; E194-S197 WeakPolarHBondContact O-CB 3.32Å; E194-S197 PolarHBondContact O-N 2.96Å; Q195-S197 VanDerWaalsContact C-N 3.26Å; Q195-S197 PolarHBondContact O-N 2.88Å; S197-R201 PolarHBondContact O-N 2.86Å
198Q91.3Very high89.6Confident79 Ų7977.2 Ų77.237%0.36938%0.383SS..Hα-helixtrans-64.6-42174.4-65.31760.900112C157 E194 Q195 Y196 R201 F202C157-Q198 HydrophobicContact CB-CB 4.17Å; E194-Q198 PolarHBondContact O-N 2.86Å; E194-Q198 VanDerWaalsContact O-N 3.11Å; Q195-Q198 WeakPolarHBondContact O-CA 2.8Å; Q195-Q198 WeakPolarHBondContact O-CB 3.27Å; Q195-Q198 PolarHBondContact O-N 3.13Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 3.46Å; Q198-R201 PolarHBondContact O-N 3.12Å; Q198-F202 WeakPolarHBondContact O-CB 3.46Å; Q198-F202 PolarHBondContact O-N 2.88Å
199I91.5Very high89.2Confident0 Ų076.3 Ų76.30%038%0.381CS..Hα-helixtrans-61.2-49.3177.5-69.9169000109.7I151 C157 I179 Q195 Y196 R201 F202 I203 V213I151-I199 HydrophobicContact CB-CD1 4.42Å; I151-I199 HydrophobicContact CD1-CD1 4.03Å; I151-I199 HydrophobicContact CD1-CG1 3.85Å; I151-I199 HydrophobicContact CD1-CG2 4.2Å; I151-I199 HydrophobicContact CG2-CD1 3.99Å; I151-I199 HydrophobicContact CG2-CG1 4.37Å; C157-I199 HydrophobicContact CB-CG1 4.38Å; I179-I199 HydrophobicContact CD1-CG2 4.48Å; I179-I199 HydrophobicContact CG2-CG2 4.08Å; Q195-I199 HydrophobicContact CG-CD1 4.28Å; Q195-I199 VanDerWaalsContact O-CG1 3.3Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 2.89Å; Y196-I199 WeakPolarHBondContact O-CB 3.4Å; Y196-I199 PolarHBondContact O-N 2.8Å; I199-R201 VanDerWaalsContact C-N 3.31Å; I199-R201 PolarHBondContact O-N 2.96Å; I199-F202 WeakPolarHBondContact O-CB 3.14Å; I199-F202 PolarHBondContact O-N 2.89Å; I199-F202 VanDerWaalsContact O-N 3.09Å; I199-I203 HydrophobicContact CG2-CD1 3.44Å; I199-I203 VanDerWaalsContact CG2-CD1 3.44Å; I199-I203 HydrophobicContact CG2-CG1 4.36Å; I199-I203 WeakPolarHBondContact O-CD1 3.28Å; I199-I203 WeakPolarHBondContact O-CG1 2.96Å; I199-I203 PolarHBondContact O-N 3.12Å; I199-V213 HydrophobicContact CG2-CG2 4.08Å
200L91.5Very high88.8Confident66 Ų6673.7 Ų73.735%0.34639%0.39SS..Hα-helixtrans-57.2-43.5175.9-72-178.6000112.2Y196 F202 I203 Q204Y196-L200 HydrophobicContact CD1-CD1 4.02Å; Y196-L200 HydrophobicContact CD1-CG 4.47Å; Y196-L200 HydrophobicContact CE1-CD1 3.39Å; Y196-L200 HydrophobicContact CE1-CG 4.08Å; Y196-L200 HydrophobicContact CE2-CD1 4.48Å; Y196-L200 HydrophobicContact CE2-CD2 4.48Å; Y196-L200 HydrophobicContact CE2-CG 4.38Å; Y196-L200 WeakPolarHBondContact O-CG 3.27Å; Y196-L200 PolarHBondContact O-N 3.47Å; L200-F202 VanDerWaalsContact C-N 3.32Å; L200-F202 PolarHBondContact O-N 3.28Å; L200-I203 PolarHBondContact O-N 2.62Å; L200-Q204 WeakPolarHBondContact O-CG 3.25Å; L200-Q204 PolarHBondContact O-N 3.37Å
201R90.3Very high88.7Confident202 Ų20271.2 Ų71.276%0.76237%0.374SS*.Hα-helixtrans-63.8-36.9176.6-172.5177.9-175.81733.1112.6S197 Q198 I199S197-R201 PolarHBondContact O-N 2.86Å; Q198-R201 PolarHBondContact O-N 3.12Å; I199-R201 VanDerWaalsContact C-N 3.31Å; I199-R201 PolarHBondContact O-N 2.96Å
202F88.4Confident88.8Confident42 Ų4267.8 Ų67.818%0.18436%0.359CS..Hα-helixtrans-69.7-35.8178.2171.6-114.8000112.4P158 T162 L166 Q198 I199 L200P158-F202 HydrophobicContact CB-CD1 4.46Å; P158-F202 HydrophobicContact CB-CD2 3.54Å; P158-F202 HydrophobicContact CB-CE2 3.6Å; P158-F202 HydrophobicContact CB-CG 4Å; P158-F202 HydrophobicContact CB-CZ 4.11Å; P158-F202 HydrophobicContact CG-CD2 3.85Å; P158-F202 HydrophobicContact CG-CE2 4.13Å; T162-F202 HydrophobicContact CG2-CE1 3.98Å; T162-F202 HydrophobicContact CG2-CZ 4.37Å; L166-F202 HydrophobicContact CD2-CD1 4.46Å; L166-F202 HydrophobicContact CD2-CE1 3.58Å; L166-F202 HydrophobicContact CD2-CZ 3.66Å; Q198-F202 WeakPolarHBondContact O-CB 3.46Å; Q198-F202 PolarHBondContact O-N 2.88Å; I199-F202 WeakPolarHBondContact O-CB 3.14Å; I199-F202 PolarHBondContact O-N 2.89Å; I199-F202 VanDerWaalsContact O-N 3.09Å; L200-F202 VanDerWaalsContact C-N 3.32Å; L200-F202 PolarHBondContact O-N 3.28Å
203I88.7Confident88.9Confident6 Ų668 Ų683%0.03136%0.359CS..Hα-helixtrans-74.9-27.2-178.7-69157.9000112.7I179 I199 L200 G205 T206 A208 Q209I179-I203 HydrophobicContact CD1-CD1 3.05Å; I179-I203 HydrophobicContact CD1-CG1 3.67Å; I199-I203 HydrophobicContact CG2-CD1 3.44Å; I199-I203 VanDerWaalsContact CG2-CD1 3.44Å; I199-I203 HydrophobicContact CG2-CG1 4.36Å; I199-I203 WeakPolarHBondContact O-CD1 3.28Å; I199-I203 WeakPolarHBondContact O-CG1 2.96Å; I199-I203 PolarHBondContact O-N 3.12Å; L200-I203 PolarHBondContact O-N 2.62Å; I203-G205 PolarHBondContact O-N 2.77Å; I203-G205 VanDerWaalsContact O-N 3.16Å; I203-T206 WeakPolarHBondContact O-CB 3.23Å; I203-T206 PolarHBondContact O-N 3.41Å; I203-T206 PolarHBondContact O-OG1 3.11Å; I203-A208 HydrophobicContact CG1-CB 4.44Å; I203-A208 HydrophobicContact CG2-CB 3.92Å; I203-A208 WeakPolarHBondContact CG2-O 3.38Å; I203-Q209 HydrophobicContact CG2-CB 4.42Å
204Q87Confident88.9Confident136 Ų13660.5 Ų60.564%0.63633%0.331SS*.THydrogen-bonded Turntrans-52.6121.4-178.4-80.71697.100111.5L200L200-Q204 WeakPolarHBondContact O-CG 3.25Å; L200-Q204 PolarHBondContact O-N 3.37Å
205G83.7Confident89Confident63 Ų6357.2 Ų57.265%0.64932%0.32SS*.THydrogen-bonded Turntrans86.84.1-179.500000115.5I203I203-G205 PolarHBondContact O-N 2.77Å; I203-G205 VanDerWaalsContact O-N 3.16Å
206T85.3Confident89.2Confident30 Ų3057 Ų5718%0.18432%0.319CS..SBendtrans-106169175.270.40000111.6L166 I203 A208 Q209L166-T206 HydrophobicContact CD2-CG2 3.97Å; I203-T206 WeakPolarHBondContact O-CB 3.23Å; I203-T206 PolarHBondContact O-N 3.41Å; I203-T206 PolarHBondContact O-OG1 3.11Å; T206-A208 PolarHBondContact O-N 3.21Å; T206-A208 VanDerWaalsContact O-N 3.1Å; T206-A208 PolarHBondContact OG1-N 3.32Å; T206-Q209 WeakPolarHBondContact O-CB 3.46Å; T206-Q209 PolarHBondContact O-N 3.14Å
207V82.3Confident89.2Confident59 Ų5952.1 Ų52.136%0.35830%0.3SS..THydrogen-bonded Turntrans-58.8-19172.7-68.70000114.2E170 I177 Q209E170-V207 HydrophobicContact CB-CG1 4.41Å; E170-V207 HydrophobicContact CB-CG2 3.94Å; E170-V207 HydrophobicContact CG-CG1 3.95Å; E170-V207 HydrophobicContact CG-CG2 4.31Å; I177-V207 HydrophobicContact CD1-CG2 3.75Å; V207-Q209 PolarHBondContact O-N 3.14Å
208A81.6Confident89.1Confident2 Ų248.7 Ų48.72%0.01728%0.277CS..THydrogen-bonded Turntrans-81.42.7175.600000112.8L166 I177 I179 I203 T206 G210 A211L166-A208 HydrophobicContact CD1-CB 4.12Å; I177-A208 HydrophobicContact CB-CB 4.46Å; I177-A208 HydrophobicContact CD1-CB 4Å; I177-A208 HydrophobicContact CG2-CB 4.27Å; I179-A208 HydrophobicContact CD1-CB 4.41Å; I203-A208 HydrophobicContact CG1-CB 4.44Å; I203-A208 HydrophobicContact CG2-CB 3.92Å; I203-A208 WeakPolarHBondContact CG2-O 3.38Å; T206-A208 PolarHBondContact O-N 3.21Å; T206-A208 VanDerWaalsContact O-N 3.1Å; T206-A208 PolarHBondContact OG1-N 3.32Å; A208-G210 PolarHBondContact O-N 3.07Å; A208-G210 VanDerWaalsContact O-N 3.13Å; A208-A211 HydrophobicContact CB-CB 4.32Å; A208-A211 WeakPolarHBondContact O-CB 3.35Å; A208-A211 PolarHBondContact O-N 2.74Å
209Q82.4Confident89Confident135 Ų13551.8 Ų51.863%0.63129%0.291SS*.THydrogen-bonded Turntrans-61116.4-179.5-174.6170.9-7.100111.4I203 T206 V207I203-Q209 HydrophobicContact CG2-CB 4.42Å; T206-Q209 WeakPolarHBondContact O-CB 3.46Å; T206-Q209 PolarHBondContact O-N 3.14Å; V207-Q209 PolarHBondContact O-N 3.14Å
210G84.1Confident88.9Confident78 Ų7856.2 Ų56.280%0.80431%0.314SS*.THydrogen-bonded Turntrans90.21.6-174.500000114.6A208A208-G210 PolarHBondContact O-N 3.07Å; A208-G210 VanDerWaalsContact O-N 3.13Å
211A89.9Confident88.7Confident18 Ų1859 Ų5915%0.14932%0.324CS..  trans-61.4136.7172.100000110.9I177 I179 A208I177-A211 VanDerWaalsContact O-CB 3.23Å; I177-A211 WeakPolarHBondContact O-CB 3.48Å; I179-A211 HydrophobicContact CD1-CB 3.98Å; I179-A211 HydrophobicContact CG1-CB 4.03Å; A208-A211 HydrophobicContact CB-CB 4.32Å; A208-A211 WeakPolarHBondContact O-CB 3.35Å; A208-A211 PolarHBondContact O-N 2.74Å
212P92.5Very high88.7Confident23 Ų2356.3 Ų56.315%0.14931%0.314CS..  trans-68.2138.8175.928-32.9000110.4I178 I179 Y230I178-P212 HydrophobicContact CG1-CG 4.28Å; I178-P212 HydrophobicContact CG2-CG 4.37Å; I179-P212 PolarHBondContact N-O 3.21Å; P212-Y230 HydrophobicContact CB-CD1 3.84Å; P212-Y230 HydrophobicContact CB-CE1 3.52Å; P212-Y230 HydrophobicContact CG-CD1 3.73Å; P212-Y230 HydrophobicContact CG-CE1 3.94Å
213V93.3Very high88.8Confident22 Ų2257.2 Ų57.213%0.13332%0.321CS..EExtended strand (participates in β ladder)trans-104.5121.1172.1-170.70000108.6I179 Q181 Y196 I199I179-V213 HydrophobicContact CB-CB 4.49Å; I179-V213 HydrophobicContact CB-CG1 4.45Å; I179-V213 HydrophobicContact CB-CG2 4.18Å; I179-V213 HydrophobicContact CG2-CG1 4.17Å; I179-V213 HydrophobicContact CG2-CG2 4.37Å; I179-V213 CarbonylContact O-C 3.53Å; I179-V213 VanDerWaalsContact O-CA 3.32Å; I179-V213 WeakPolarHBondContact O-CA 3.43Å; Q181-V213 HydrophobicContact CB-CG1 4.24Å; Y196-V213 HydrophobicContact CD2-CB 3.91Å; Y196-V213 HydrophobicContact CD2-CG1 3.97Å; Y196-V213 HydrophobicContact CD2-CG2 4.09Å; Y196-V213 HydrophobicContact CE2-CB 3.68Å; Y196-V213 HydrophobicContact CE2-CG1 4.27Å; Y196-V213 HydrophobicContact CE2-CG2 3.73Å; I199-V213 HydrophobicContact CG2-CG2 4.08Å
214V93.8Very high88.8Confident3 Ų357.8 Ų57.82%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-113.4118-177.6-171.50000109.5I178 I179 L180 Q181 I216 V226 V227 Y230I178-V214 HydrophobicContact CG2-CG2 4.27Å; I179-V214 PolarHBondContact O-N 2.62Å; L180-V214 WeakPolarHBondContact CA-O 3.47Å; L180-V214 HydrophobicContact CD2-CB 3.98Å; L180-V214 HydrophobicContact CD2-CG2 4.47Å; Q181-V214 PolarHBondContact N-O 3.45Å; V214-I216 HydrophobicContact CB-CG2 4.47Å; V214-I216 HydrophobicContact CG1-CG2 3.82Å; V214-V226 HydrophobicContact CG1-CB 4.11Å; V214-V226 HydrophobicContact CG1-CG1 3.6Å; V214-V227 HydrophobicContact CG1-CG2 4.13Å; V214-Y230 HydrophobicContact CG2-CD2 3.39Å; V214-Y230 HydrophobicContact CG2-CE2 3.5Å; V214-Y230 VanDerWaalsContact CG2-CE2 3.5Å; V214-Y230 HydrophobicContact CG2-CG 4.07Å
215P94.5Very high89Confident53 Ų5353.6 Ų53.634%0.34431%0.306SS..EExtended strand (participates in β ladder)trans-74.2125.4172.129.3-31.8000110.2Q181 I184 N223Q181-P215 CarbonylContact O-C 3.55Å; Q181-P215 WeakPolarHBondContact O-CA 3.24Å; I184-P215 HydrophobicContact CD1-CB 4.18Å; I184-P215 HydrophobicContact CG2-CB 3.87Å; P215-N223 WeakPolarHBondContact O-CB 3.37Å; P215-N223 PolarHBondContact O-ND2 2.85Å
216I94.8Very high89.3Confident2 Ų251.9 Ų51.91%0.0128%0.283CS..  trans-138157-178.466.1170.6000112.4V49 L180 Q181 N182 K183 I184 V214 N223 V227V49-I216 HydrophobicContact CG1-CD1 4.5Å; V49-I216 HydrophobicContact CG2-CD1 3.69Å; L180-I216 HydrophobicContact CB-CD1 3.89Å; L180-I216 HydrophobicContact CB-CG1 4.37Å; L180-I216 HydrophobicContact CD1-CD1 3.9Å; L180-I216 HydrophobicContact CD2-CD1 4.32Å; L180-I216 HydrophobicContact CG-CD1 4.26Å; Q181-I216 PolarHBondContact O-N 2.77Å; N182-I216 CarbonylContact C-O 3.36Å; N182-I216 WeakPolarHBondContact CA-O 3.5Å; N182-I216 HydrophobicContact CB-CG1 4.19Å; K183-I216 PolarHBondContact N-O 2.87Å; I184-I216 WeakPolarHBondContact CG1-O 3.41Å; I184-I216 PolarHBondContact N-O 3.33Å; V214-I216 HydrophobicContact CB-CG2 4.47Å; V214-I216 HydrophobicContact CG1-CG2 3.82Å; I216-N223 HydrophobicContact CG2-CB 4.02Å; I216-V227 HydrophobicContact CG2-CG2 3.53Å
217S93.6Very high89.6Confident0 Ų050.6 Ų50.60%028%0.275CS..BIsolated β-bridgetrans-120.5100.6161.7-179.30000108.9D185 Q219 L220 K221 Y222D185-S217 VanDerWaalsContact CG-OG 3.3Å; D185-S217 VanDerWaalsContact OD1-CB 3.31Å; D185-S217 WeakPolarHBondContact OD1-CB 3.49Å; D185-S217 PolarHBondContact OD1-OG 2.88Å; S217-Q219 VanDerWaalsContact C-N 3.25Å; S217-Q219 PolarHBondContact O-N 2.88Å; S217-L220 PolarHBondContact O-N 3.38Å; S217-K221 WeakPolarHBondContact O-CA 3.36Å; S217-K221 PolarHBondContact O-N 3.41Å; S217-Y222 PolarHBondContact N-O 3.45Å; S217-Y222 PolarHBondContact O-N 3.05Å; S217-Y222 VanDerWaalsContact O-N 3.09Å
218A89.9Confident90Very high4 Ų447.8 Ų47.83%0.03326%0.258CS..THydrogen-bonded Turntrans-61.6-35.1-179.400000112.6T48 V49 A52 N182T48-A218 HydrophobicContact CG2-CB 3.73Å; V49-A218 HydrophobicContact CB-CB 4.35Å; V49-A218 HydrophobicContact CG2-CB 3.47Å; V49-A218 VanDerWaalsContact CG2-CB 3.47Å; A52-A218 WeakPolarHBondContact CB-O 3.3Å; N182-A218 WeakPolarHBondContact OD1-CB 3.48Å; N182-A218 PolarHBondContact OD1-N 3.39Å
219Q89.1Confident90.5Very high143 Ų14348.3 Ų48.367%0.66826%0.26SS*.THydrogen-bonded Turntrans-70.5-45.4-177.2-176.263.42100111.8S217 K221S217-Q219 VanDerWaalsContact C-N 3.25Å; S217-Q219 PolarHBondContact O-N 2.88Å; Q219-K221 VanDerWaalsContact C-N 3.32Å
220L90.3Very high90.9Very high93 Ų9345 Ų4549%0.48724%0.243SC..THydrogen-bonded Turntrans-88.7-1.7-179.4-60177.4000113.1D185 S217 Y222D185-L220 HydrophobicContact CB-CD1 3.8Å; S217-L220 PolarHBondContact O-N 3.38Å; L220-Y222 VanDerWaalsContact C-N 3.27Å; L220-Y222 HydrophobicContact CB-CD2 3.4Å; L220-Y222 HydrophobicContact CB-CE2 3.46Å; L220-Y222 VanDerWaalsContact CB-CE2 3.46Å; L220-Y222 HydrophobicContact CB-CG 4.36Å; L220-Y222 HydrophobicContact CD1-CD2 3.98Å; L220-Y222 HydrophobicContact CD1-CE2 3.6Å; L220-Y222 HydrophobicContact CG-CD2 4.32Å; L220-Y222 HydrophobicContact CG-CE2 4.14Å; L220-Y222 PolarHBondContact O-N 3.41Å
221K87.7Confident91.2Very high126 Ų12641.5 Ų41.555%0.54821%0.205SC..THydrogen-bonded Turntrans60.728.8-176.6-58.1-171.4177.4-173.90115A52 S217 Q219 I224A52-K221 HydrophobicContact CB-CG 4.32Å; S217-K221 WeakPolarHBondContact O-CA 3.36Å; S217-K221 PolarHBondContact O-N 3.41Å; Q219-K221 VanDerWaalsContact C-N 3.32Å; K221-I224 VanDerWaalsContact CA-CD1 3.5Å; K221-I224 HydrophobicContact CB-CD1 3.66Å; K221-I224 HydrophobicContact CG-CD1 3.88Å
222Y89.6Confident91.2Very high144 Ų14441.3 Ų41.357%0.56520%0.202SC*.BIsolated β-bridgetrans-80140.7174.3-68-59.9000111.9S217 L220 I224S217-Y222 PolarHBondContact N-O 3.45Å; S217-Y222 PolarHBondContact O-N 3.05Å; S217-Y222 VanDerWaalsContact O-N 3.09Å; L220-Y222 VanDerWaalsContact C-N 3.27Å; L220-Y222 HydrophobicContact CB-CD2 3.4Å; L220-Y222 HydrophobicContact CB-CE2 3.46Å; L220-Y222 VanDerWaalsContact CB-CE2 3.46Å; L220-Y222 HydrophobicContact CB-CG 4.36Å; L220-Y222 HydrophobicContact CD1-CD2 3.98Å; L220-Y222 HydrophobicContact CD1-CE2 3.6Å; L220-Y222 HydrophobicContact CG-CD2 4.32Å; L220-Y222 HydrophobicContact CG-CE2 4.14Å; L220-Y222 PolarHBondContact O-N 3.41Å; Y222-I224 PolarHBondContact O-N 3.05Å
223N90.3Very high91Very high61 Ų6143.9 Ų43.933%0.32622%0.215SC..THydrogen-bonded Turntrans59.221.6178.7-63.7-12.3000115.3P215 I216 D225 V226 V227P215-N223 WeakPolarHBondContact O-CB 3.37Å; P215-N223 PolarHBondContact O-ND2 2.85Å; I216-N223 HydrophobicContact CG2-CB 4.02Å; N223-D225 VanDerWaalsContact C-N 3.31Å; N223-D225 VanDerWaalsContact C-OD1 3.27Å; N223-D225 VanDerWaalsContact CA-OD1 3.27Å; N223-D225 WeakPolarHBondContact CA-OD1 3.19Å; N223-V226 HydrophobicContact CB-CB 4.3Å; N223-V226 HydrophobicContact CB-CG2 4.05Å; N223-V226 WeakPolarHBondContact O-CB 2.92Å; N223-V226 PolarHBondContact O-N 3.42Å; N223-V227 PolarHBondContact O-N 3.37Å
224I89.5Confident90.7Very high19 Ų1947.4 Ų47.410%0.09723%0.23CC..Hα-helixtrans-69.5-34.1175.3-65.7-174.8000111.4A52 I53 K221 Y222 V226 V227 C228A52-I224 HydrophobicContact CB-CD1 3.3Å; I53-I224 HydrophobicContact CG1-CG2 3.9Å; K221-I224 VanDerWaalsContact CA-CD1 3.5Å; K221-I224 HydrophobicContact CB-CD1 3.66Å; K221-I224 HydrophobicContact CG-CD1 3.88Å; Y222-I224 PolarHBondContact O-N 3.05Å; I224-V226 VanDerWaalsContact C-N 3.29Å; I224-V226 PolarHBondContact O-N 2.89Å; I224-V227 PolarHBondContact O-N 2.73Å; I224-C228 PolarHBondContact O-N 3.02Å; I224-C228 PolarHBondContact O-SG 3.18Å
225D90Very high90.4Very high48 Ų4847.5 Ų47.526%0.25723%0.23SC..Hα-helixtrans-56.4-43.6170.758-26.9000111.6N223 V227 C228 D229N223-D225 VanDerWaalsContact C-N 3.31Å; N223-D225 VanDerWaalsContact C-OD1 3.27Å; N223-D225 VanDerWaalsContact CA-OD1 3.27Å; N223-D225 WeakPolarHBondContact CA-OD1 3.19Å; D225-V227 PolarHBondContact O-N 3.21Å; D225-C228 WeakPolarHBondContact O-CB 3.39Å; D225-C228 PolarHBondContact O-N 3.19Å; D225-D229 PolarHBondContact O-N 3.17Å
226V91.1Very high90Very high27 Ų2747.5 Ų47.516%0.16423%0.23CC..Hα-helixtrans-60.6-46174.2-174.70000110.8P91 V214 N223 I224 C228 D229 Y230P91-V226 HydrophobicContact CB-CB 4.45Å; P91-V226 HydrophobicContact CB-CG2 3.88Å; P91-V226 HydrophobicContact CG-CG2 3.7Å; V214-V226 HydrophobicContact CG1-CB 4.11Å; V214-V226 HydrophobicContact CG1-CG1 3.6Å; N223-V226 HydrophobicContact CB-CB 4.3Å; N223-V226 HydrophobicContact CB-CG2 4.05Å; N223-V226 WeakPolarHBondContact O-CB 2.92Å; N223-V226 PolarHBondContact O-N 3.42Å; I224-V226 VanDerWaalsContact C-N 3.29Å; I224-V226 PolarHBondContact O-N 2.89Å; V226-C228 VanDerWaalsContact C-N 3.29Å; V226-C228 PolarHBondContact O-N 3.44Å; V226-D229 WeakPolarHBondContact O-CB 3.46Å; V226-D229 PolarHBondContact O-N 2.99Å; V226-Y230 HydrophobicContact CG1-CD2 3.66Å; V226-Y230 HydrophobicContact CG1-CE2 3.45Å; V226-Y230 VanDerWaalsContact CG1-CE2 3.45Å; V226-Y230 WeakPolarHBondContact O-CD2 3.42Å; V226-Y230 PolarHBondContact O-N 2.97Å
227V92.3Very high89.5Confident2 Ų249.1 Ų49.11%0.01224%0.24CC..Hα-helixtrans-60.3-41.3176178.60000111.3I53 L180 V214 I216 N223 I224 D225 D229 Y230 I231I53-V227 HydrophobicContact CD1-CG1 4.13Å; L180-V227 HydrophobicContact CD1-CG1 4.49Å; L180-V227 HydrophobicContact CD2-CG1 4.23Å; L180-V227 HydrophobicContact CD2-CG2 3.64Å; V214-V227 HydrophobicContact CG1-CG2 4.13Å; I216-V227 HydrophobicContact CG2-CG2 3.53Å; N223-V227 PolarHBondContact O-N 3.37Å; I224-V227 PolarHBondContact O-N 2.73Å; D225-V227 PolarHBondContact O-N 3.21Å; V227-D229 VanDerWaalsContact C-N 3.35Å; V227-Y230 PolarHBondContact O-N 3.45Å; V227-I231 HydrophobicContact CG1-CD1 3.85Å; V227-I231 HydrophobicContact CG1-CG1 4.38Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.16Å; V227-I231 PolarHBondContact O-N 3.32Å
228C90.3Very high89.1Confident0 Ų050.5 Ų50.50%025%0.249CC..Hα-helixtrans-63.1-41.3176.2-640000111.7I80 S96 I224 D225 V226 I231 V232I80-C228 HydrophobicContact CG2-CB 4Å; S96-C228 PolarHBondContact OG-SG 3.44Å; I224-C228 PolarHBondContact O-N 3.02Å; I224-C228 PolarHBondContact O-SG 3.18Å; D225-C228 WeakPolarHBondContact O-CB 3.39Å; D225-C228 PolarHBondContact O-N 3.19Å; V226-C228 VanDerWaalsContact C-N 3.29Å; V226-C228 PolarHBondContact O-N 3.44Å; C228-I231 PolarHBondContact O-N 3.1Å; C228-V232 WeakPolarHBondContact O-CG2 2.96Å; C228-V232 PolarHBondContact O-N 3.26Å
229D90.8Very high88.7Confident13 Ų1357.5 Ų57.57%0.0729%0.291CS..Hα-helixtrans-59.8-47.2174.6-176.241.1000111.6R90 P91 Y94 D225 V226 V227 I231 V232 N233R90-D229 WeakPolarHBondContact CD-OD1 3.28Å; R90-D229 WeakPolarHBondContact CD-OD2 3.28Å; R90-D229 WeakPolarHBondContact CG-OD2 3.31Å; R90-D229 IonicContact NE-OD2 3.9Å; P91-D229 HydrophobicContact CB-CB 4.41Å; Y94-D229 HydrophobicContact CD2-CB 3.57Å; Y94-D229 WeakPolarHBondContact CD2-OD1 3.33Å; Y94-D229 HydrophobicContact CE2-CB 3.91Å; Y94-D229 WeakPolarHBondContact CE2-OD1 3.48Å; Y94-D229 HydrophobicContact CG-CB 4.23Å; D225-D229 PolarHBondContact O-N 3.17Å; V226-D229 WeakPolarHBondContact O-CB 3.46Å; V226-D229 PolarHBondContact O-N 2.99Å; V227-D229 VanDerWaalsContact C-N 3.35Å; D229-I231 PolarHBondContact O-N 3Å; D229-V232 PolarHBondContact O-N 3.17Å; D229-N233 WeakPolarHBondContact O-CB 3.09Å; D229-N233 PolarHBondContact O-N 2.87Å; D229-N233 PolarHBondContact O-ND2 3.44Å; D229-N233 PolarHBondContact OD1-ND2 3.06Å
230Y91.1Very high88.4Confident67 Ų6752.1 Ų52.126%0.26327%0.265SS..Hα-helixtrans-63.2-40.6175.8-81.3-75.2000112.1P212 V214 V226 V227 V232 H234P212-Y230 HydrophobicContact CB-CD1 3.84Å; P212-Y230 HydrophobicContact CB-CE1 3.52Å; P212-Y230 HydrophobicContact CG-CD1 3.73Å; P212-Y230 HydrophobicContact CG-CE1 3.94Å; V214-Y230 HydrophobicContact CG2-CD2 3.39Å; V214-Y230 HydrophobicContact CG2-CE2 3.5Å; V214-Y230 VanDerWaalsContact CG2-CE2 3.5Å; V214-Y230 HydrophobicContact CG2-CG 4.07Å; V226-Y230 HydrophobicContact CG1-CD2 3.66Å; V226-Y230 HydrophobicContact CG1-CE2 3.45Å; V226-Y230 VanDerWaalsContact CG1-CE2 3.45Å; V226-Y230 WeakPolarHBondContact O-CD2 3.42Å; V226-Y230 PolarHBondContact O-N 2.97Å; V227-Y230 PolarHBondContact O-N 3.45Å; Y230-V232 VanDerWaalsContact C-N 3.34Å; Y230-V232 PolarHBondContact O-N 3.38Å; Y230-H234 AromaticContact CD1-CD2 3.34Å; Y230-H234 WeakPolarHBondContact CD1-CD2 3.26Å; Y230-H234 AromaticContact CD1-NE2 3.52Å; Y230-H234 AromaticContact CE1-CD2 3.91Å; Y230-H234 AromaticContact CE1-NE2 3.56Å; Y230-H234 WeakPolarHBondContact O-CA 3.38Å; Y230-H234 VanDerWaalsContact O-CB 3.26Å; Y230-H234 WeakPolarHBondContact O-CB 3.25Å; Y230-H234 PolarHBondContact O-N 3.47Å
231I91.2Very high88.2Confident3 Ų351 Ų512%0.01526%0.259CS..Hα-helixtrans-60.6-44.7176.3-71.5166.4000110.7I36 I80 V122 F124 I178 V227 C228 D229 I235I36-I231 HydrophobicContact CD1-CD1 4.21Å; I36-I231 HydrophobicContact CD1-CG1 4.21Å; I36-I231 HydrophobicContact CD1-CG2 3.71Å; I80-I231 HydrophobicContact CD1-CB 4.09Å; I80-I231 HydrophobicContact CD1-CD1 4.45Å; I80-I231 HydrophobicContact CD1-CG2 3.54Å; V122-I231 HydrophobicContact CG1-CG2 4.13Å; F124-I231 HydrophobicContact CE1-CD1 4.44Å; F124-I231 HydrophobicContact CZ-CD1 4.18Å; I178-I231 HydrophobicContact CD1-CG1 4.21Å; V227-I231 HydrophobicContact CG1-CD1 3.85Å; V227-I231 HydrophobicContact CG1-CG1 4.38Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.16Å; V227-I231 PolarHBondContact O-N 3.32Å; C228-I231 PolarHBondContact O-N 3.1Å; D229-I231 PolarHBondContact O-N 3Å; I231-I235 HydrophobicContact CB-CD1 4.38Å; I231-I235 HydrophobicContact CG1-CD1 4.19Å; I231-I235 HydrophobicContact CG2-CD1 4.24Å; I231-I235 VanDerWaalsContact O-CB 3.31Å; I231-I235 WeakPolarHBondContact O-CB 3.36Å; I231-I235 PolarHBondContact O-N 3.47Å
232V88.7Confident88Confident15 Ų1546.2 Ų46.29%0.09124%0.238CC..Hα-helixtrans-69.9-41.3-177.5173.40000112.1I80 Y94 L119 R120 C228 D229 Y230I80-V232 HydrophobicContact CB-CG2 4.35Å; I80-V232 HydrophobicContact CD1-CG2 4.37Å; I80-V232 HydrophobicContact CG2-CG2 3.64Å; Y94-V232 HydrophobicContact CD1-CG2 4.23Å; Y94-V232 HydrophobicContact CE1-CB 4.16Å; Y94-V232 HydrophobicContact CE1-CG1 4.03Å; Y94-V232 HydrophobicContact CE1-CG2 4.19Å; L119-V232 HydrophobicContact CD1-CG1 3.99Å; R120-V232 HydrophobicContact CG-CG2 4.06Å; R120-V232 PolarHBondContact NH2-O 2.87Å; C228-V232 WeakPolarHBondContact O-CG2 2.96Å; C228-V232 PolarHBondContact O-N 3.26Å; D229-V232 PolarHBondContact O-N 3.17Å; Y230-V232 VanDerWaalsContact C-N 3.34Å; Y230-V232 PolarHBondContact O-N 3.38Å
233N88.5Confident87.8Confident76 Ų7644.4 Ų44.441%0.40624%0.242SC..Hα-helixtrans-90.2-34-172.1-63.4-28.7000114R90 D229R90-N233 PolarHBondContact NH1-ND2 2.87Å; D229-N233 WeakPolarHBondContact O-CB 3.09Å; D229-N233 PolarHBondContact O-N 2.87Å; D229-N233 PolarHBondContact O-ND2 3.44Å; D229-N233 PolarHBondContact OD1-ND2 3.06Å
234H87.1Confident87.7Confident97 Ų9742.9 Ų42.945%0.44924%0.237SC..Hα-helixtrans-95.3-26.1-177.1-78-102.2000113.8Y176 Y230 P236Y176-H234 WeakPolarHBondContact CD1-O 3.15Å; Y230-H234 AromaticContact CD1-CD2 3.34Å; Y230-H234 WeakPolarHBondContact CD1-CD2 3.26Å; Y230-H234 AromaticContact CD1-NE2 3.52Å; Y230-H234 AromaticContact CE1-CD2 3.91Å; Y230-H234 AromaticContact CE1-NE2 3.56Å; Y230-H234 WeakPolarHBondContact O-CA 3.38Å; Y230-H234 VanDerWaalsContact O-CB 3.26Å; Y230-H234 WeakPolarHBondContact O-CB 3.25Å; Y230-H234 PolarHBondContact O-N 3.47Å; H234-P236 VanDerWaalsContact O-CD 3.27Å; H234-P236 WeakPolarHBondContact O-CD 3.49Å
235I88.5Confident87.7Confident4 Ų443.3 Ų43.32%0.02124%0.243CC..SBendtrans-97105.4178.7-54.7171.9000108.5I34 I36 R120 A146 I178 I231I34-I235 HydrophobicContact CG2-CG2 4.17Å; I36-I235 HydrophobicContact CD1-CD1 3.94Å; I36-I235 HydrophobicContact CG1-CD1 4.41Å; R120-I235 PolarHBondContact NH1-O 3.48Å; R120-I235 PolarHBondContact NH2-O 2.92Å; A146-I235 HydrophobicContact CB-CD1 3.61Å; A146-I235 HydrophobicContact CB-CG1 4.03Å; A146-I235 HydrophobicContact CB-CG2 3.88Å; I178-I235 HydrophobicContact CD1-CD1 3.83Å; I178-I235 HydrophobicContact CD1-CG1 4.11Å; I231-I235 HydrophobicContact CB-CD1 4.38Å; I231-I235 HydrophobicContact CG1-CD1 4.19Å; I231-I235 HydrophobicContact CG2-CD1 4.24Å; I231-I235 VanDerWaalsContact O-CB 3.31Å; I231-I235 WeakPolarHBondContact O-CB 3.36Å; I231-I235 PolarHBondContact O-N 3.47Å
236P86.7Confident87.7Confident54 Ų5441.2 Ų41.235%0.35123%0.232SC..PPolyproline II helixtrans-67.2159.5175.928.8-33.1000110.6Y176 H234 P238Y176-P236 HydrophobicContact CD2-CG 4.29Å; Y176-P236 VanDerWaalsContact CE1-CD 3.45Å; Y176-P236 HydrophobicContact CE1-CG 3.83Å; Y176-P236 HydrophobicContact CE2-CG 3.54Å; Y176-P236 VanDerWaalsContact CZ-CD 3.42Å; Y176-P236 WeakPolarHBondContact OH-CG 3.47Å; H234-P236 VanDerWaalsContact O-CD 3.27Å; H234-P236 WeakPolarHBondContact O-CD 3.49Å; P236-P238 WeakPolarHBondContact O-CD 3.15Å
237V84.2Confident87.7Confident36 Ų3641.3 Ų41.322%0.21823%0.229CC..PPolyproline II helixtrans-64.9123.2168.5-172.40000107.2A22 L23 R120 V239A22-V237 HydrophobicContact CB-CG1 3.62Å; L23-V237 HydrophobicContact CD1-CG2 3.93Å; L23-V237 HydrophobicContact CD2-CG2 3.86Å; L23-V237 HydrophobicContact CG-CG2 3.91Å; R120-V237 VanDerWaalsContact CZ-CG2 3.42Å; V237-V239 PolarHBondContact O-N 3.3Å
238P83.9Confident87.7Confident28 Ų2841.2 Ų41.218%0.18223%0.229CC..PPolyproline II helixtrans-62.1129.4173.626-32.1000108.9D145 P236 R240D145-P238 HydrophobicContact CB-CG 4.45Å; P236-P238 WeakPolarHBondContact O-CD 3.15Å; P238-R240 HydrophobicContact CB-CG 4.36Å; P238-R240 HydrophobicContact CG-CG 4.46Å; P238-R240 PolarHBondContact O-N 2.91Å; P238-R240 VanDerWaalsContact O-N 3.17Å
239V81.5Confident87.8Confident152 Ų15242 Ų4292%0.92123%0.233SC*.  trans-72.1111.3173.6-177.90000107V237V237-V239 PolarHBondContact O-N 3.3Å
240R83.2Confident87.8Confident30 Ų3041.4 Ų41.411%0.11323%0.23CC..  trans-111150.8179.4-59.4-154.4-173.798.12.1110.8T33 D145 P238 F242 P326 G327T33-R240 PolarHBondContact O-NH1 3.06Å; T33-R240 PolarHBondContact O-NH2 2.81Å; D145-R240 IonicContact OD1-NH2 3.86Å; D145-R240 IonicContact OD2-CZ 3.96Å; D145-R240 IonicContact OD2-NH2 3.42Å; D145-R240 PolarHBondContact OD2-NH2 3.41Å; P238-R240 HydrophobicContact CB-CG 4.36Å; P238-R240 HydrophobicContact CG-CG 4.46Å; P238-R240 PolarHBondContact O-N 2.91Å; P238-R240 VanDerWaalsContact O-N 3.17Å; R240-F242 HydrophobicContact CB-CZ 4.34Å; R240-F242 WeakPolarHBondContact O-CD2 3.39Å; R240-F242 VanDerWaalsContact O-CE2 3.27Å; R240-F242 WeakPolarHBondContact O-CE2 3.31Å; R240-P326 HydrophobicContact CB-CB 3.74Å; R240-P326 HydrophobicContact CB-CG 4.37Å; R240-P326 HydrophobicContact CG-CB 4.13Å; R240-P326 PolarHBondContact NH1-O 2.82Å; R240-G327 VanDerWaalsContact NH1-CA 3.28Å
241D85.5Confident87.6Confident69 Ų6938.7 Ų38.737%0.36922%0.219SC..  trans-92.1115.8178.1178.48.4000109.7T243 S244 R277 G278D241-T243 PolarHBondContact OD1-N 3.46Å; D241-T243 PolarHBondContact OD1-OG1 3.26Å; D241-T243 VanDerWaalsContact OD1-OG1 3.08Å; D241-S244 PolarHBondContact OD1-N 2.87Å; D241-S244 WeakPolarHBondContact OD2-CB 3.48Å; D241-S244 PolarHBondContact OD2-OG 2.72Å; D241-R277 HydrophobicContact CB-CB 4.33Å; D241-R277 CarbonylContact O-C 3.55Å; D241-R277 WeakPolarHBondContact O-CA 3.37Å; D241-G278 PolarHBondContact O-N 2.63Å
242F83.7Confident87.4Confident25 Ų2540.5 Ų40.511%0.1123%0.226CC..SBendtrans-95.4-20179.8-56.4-86.2000112.7V17 L20 A22 R240 V279 V325 P326V17-F242 HydrophobicContact CG1-CB 4.04Å; V17-F242 WeakPolarHBondContact CG1-O 3.47Å; L20-F242 WeakPolarHBondContact O-CD2 3.46Å; A22-F242 HydrophobicContact CB-CZ 4.15Å; R240-F242 HydrophobicContact CB-CZ 4.34Å; R240-F242 WeakPolarHBondContact O-CD2 3.39Å; R240-F242 VanDerWaalsContact O-CE2 3.27Å; R240-F242 WeakPolarHBondContact O-CE2 3.31Å; F242-V279 HydrophobicContact CB-CG2 4.22Å; F242-V279 HydrophobicContact CD1-CG2 4.32Å; F242-V325 HydrophobicContact CD1-CB 4.15Å; F242-V325 HydrophobicContact CD1-CG1 4.32Å; F242-V325 HydrophobicContact CE1-CB 3.9Å; F242-V325 HydrophobicContact CE1-CG1 4.3Å; F242-V325 HydrophobicContact CE1-CG2 4.46Å; F242-P326 HydrophobicContact CD1-CG 4.2Å; F242-P326 HydrophobicContact CE1-CG 4.43Å
243T85.6Confident87.3Confident106 Ų10640 Ų4065%0.6522%0.223SC*.SBendtrans-89.6-27.2-170.459.20000112.7V17 D241V17-T243 HydrophobicContact CG1-CG2 4.41Å; D241-T243 PolarHBondContact OD1-N 3.46Å; D241-T243 PolarHBondContact OD1-OG1 3.26Å; D241-T243 VanDerWaalsContact OD1-OG1 3.08Å
244S87.6Confident87.1Confident30 Ų3040.5 Ų40.521%0.2122%0.222CC..SBendtrans-68.6165.217759.70000113.3D241 R277 G278D241-S244 PolarHBondContact OD1-N 2.87Å; D241-S244 WeakPolarHBondContact OD2-CB 3.48Å; D241-S244 PolarHBondContact OD2-OG 2.72Å; S244-R277 WeakPolarHBondContact OG-CD 3.18Å; S244-R277 WeakPolarHBondContact OG-CG 3.41Å; S244-G278 WeakPolarHBondContact O-CA 3.38Å
245A89.6Confident87.1Confident27 Ų2737.7 Ų37.722%0.22321%0.21CC..PPolyproline II helixtrans-57.7135.1177.700000111.3R247 T356A245-R247 PolarHBondContact O-N 2.75Å; A245-T356 HydrophobicContact CB-CG2 3.88Å
246P90.8Very high86.8Confident5 Ų540.2 Ų40.23%0.03223%0.226CC..PPolyproline II helixtrans-64.5134.7-174.125.9-34.2000111.8R277 L280 G352 Q353P246-R277 CarbonylContact C-O 3.55Å; P246-R277 VanDerWaalsContact CA-O 3.24Å; P246-R277 WeakPolarHBondContact CA-O 3.2Å; P246-L280 HydrophobicContact CB-CD2 3.51Å; P246-L280 HydrophobicContact CB-CG 3.98Å; P246-L280 HydrophobicContact CG-CD2 3.78Å; P246-G352 WeakPolarHBondContact O-CA 3.35Å; P246-Q353 HydrophobicContact CG-CB 4Å; P246-Q353 PolarHBondContact O-N 2.84Å
247R91.4Very high86.7Confident28 Ų2838.8 Ų38.811%0.10622%0.215CC..EExtended strand (participates in β ladder)trans-135.9119.1173.2-66.1-172.5178178.2-5.5110.1A245 I275 L276 R277 T356 Q429A245-R247 PolarHBondContact O-N 2.75Å; R247-I275 CarbonylContact O-C 3.56Å; R247-I275 WeakPolarHBondContact O-CA 3.43Å; R247-L276 PolarHBondContact O-N 3.26Å; R247-R277 HydrophobicContact CB-CG 4.24Å; R247-R277 HydrophobicContact CG-CG 4.44Å; R247-R277 PolarHBondContact N-O 2.7Å; R247-T356 PolarHBondContact NH2-O 3.17Å; R247-Q429 VanDerWaalsContact NH1-OE1 3.07Å
248L92.5Very high86.5Confident0 Ų044.9 Ų44.90%024%0.239CC..EExtended strand (participates in β ladder)trans-113.2129174.9178.8147.5000109V250 S274 I275 L280 V332 L351L248-V250 HydrophobicContact CD2-CG2 3.74Å; L248-S274 WeakPolarHBondContact CA-O 3.24Å; L248-I275 HydrophobicContact CB-CG1 4.13Å; L248-I275 HydrophobicContact CD1-CG1 3.8Å; L248-I275 HydrophobicContact CG-CG1 4.35Å; L248-L280 HydrophobicContact CB-CD1 4.3Å; L248-L280 HydrophobicContact CD1-CD1 4.03Å; L248-V332 HydrophobicContact CD1-CG2 3.63Å; L248-L351 HydrophobicContact CB-CB 4.26Å; L248-L351 HydrophobicContact CB-CD2 4.33Å; L248-L351 HydrophobicContact CD2-CB 3.99Å; L248-L351 HydrophobicContact CD2-CD1 4.45Å; L248-L351 PolarHBondContact N-O 3.31Å; L248-L351 PolarHBondContact O-N 3.17Å
249I91Very high86.4Confident18 Ų1850.1 Ų50.19%0.09227%0.273CS..EExtended strand (participates in β ladder)trans-88.9123.4169.7-69-176.3000107.7I251 G273 S274 L276 S403I249-I251 HydrophobicContact CG2-CG1 4.44Å; I249-I251 PolarHBondContact O-N 3.23Å; I249-G273 WeakPolarHBondContact O-CA 3.35Å; I249-S274 PolarHBondContact N-O 2.92Å; I249-S274 PolarHBondContact O-N 2.83Å; I249-L276 HydrophobicContact CD1-CD1 3.4Å; I249-L276 VanDerWaalsContact CD1-CD1 3.4Å; I249-L276 HydrophobicContact CD1-CD2 4.35Å; I249-L276 HydrophobicContact CD1-CG 3.99Å; I249-L276 HydrophobicContact CG1-CD1 3.8Å; I249-L276 HydrophobicContact CG1-CG 4.16Å; I249-S403 WeakPolarHBondContact CG2-OG 3.46Å
250V91.3Very high86.4Confident0 Ų046.6 Ų46.60%027%0.267CS..EExtended strand (participates in β ladder)trans-79.3121.5176.2-175.50000108.9L248 R252 A271 L346 G348 H349 L351 S403L248-V250 HydrophobicContact CD2-CG2 3.74Å; V250-R252 VanDerWaalsContact CG1-O 3.26Å; V250-R252 WeakPolarHBondContact CG1-O 3.37Å; V250-A271 HydrophobicContact CG1-CB 4.3Å; V250-A271 HydrophobicContact CG2-CB 4.14Å; V250-L346 WeakPolarHBondContact CB-O 3.18Å; V250-L346 HydrophobicContact CG1-CB 4.31Å; V250-L346 WeakPolarHBondContact CG1-O 3.48Å; V250-G348 PolarHBondContact O-N 3.38Å; V250-H349 WeakPolarHBondContact CB-O 3.47Å; V250-H349 WeakPolarHBondContact CG2-O 3.45Å; V250-H349 PolarHBondContact N-O 3.42Å; V250-L351 HydrophobicContact CG2-CB 4.28Å; V250-S403 PolarHBondContact O-OG 2.77Å
251I88Confident86.3Confident9 Ų947.8 Ų47.85%0.04628%0.279CS..EExtended strand (participates in β ladder)trans-108.9-26.6-178.8-46.8159.1000110.1L73 Y75 V143 I249 G272 L329 V347L73-I251 HydrophobicContact CD1-CG2 3.48Å; L73-I251 VanDerWaalsContact CD1-CG2 3.48Å; Y75-I251 WeakPolarHBondContact OH-CG2 3.5Å; V143-I251 HydrophobicContact CB-CD1 4.02Å; V143-I251 HydrophobicContact CG1-CD1 3.73Å; V143-I251 HydrophobicContact CG2-CD1 3.37Å; V143-I251 HydrophobicContact CG2-CG1 3.82Å; I249-I251 HydrophobicContact CG2-CG1 4.44Å; I249-I251 PolarHBondContact O-N 3.23Å; I251-G272 PolarHBondContact N-O 3.5Å; I251-L329 HydrophobicContact CD1-CD2 3.77Å; I251-V347 WeakPolarHBondContact O-CG1 3.29Å; I251-V347 VanDerWaalsContact O-CG2 3.28Å; I251-V347 WeakPolarHBondContact O-CG2 3.41Å
252R86.4Confident86.4Confident41 Ų4150.9 Ų50.916%0.15529%0.292CS..EExtended strand (participates in β ladder)trans-143.4154.3173.1-72.2-160.1-173.6-175.2-9.2111K72 L73 Y75 V250 G272K72-R252 PolarHBondContact O-NH2 2.89Å; L73-R252 PolarHBondContact O-NE 3.1Å; L73-R252 PolarHBondContact O-NH2 2.73Å; Y75-R252 HydrophobicContact CE2-CG 3.94Å; V250-R252 VanDerWaalsContact CG1-O 3.26Å; V250-R252 WeakPolarHBondContact CG1-O 3.37Å; R252-G272 PolarHBondContact N-O 3.2Å; R252-G272 WeakPolarHBondContact O-CA 3.18Å; R252-G272 PolarHBondContact O-N 2.75Å
253S87.1Confident86.3Confident5 Ų555.5 Ų55.54%0.03532%0.322CS..EExtended strand (participates in β ladder)trans-134.3140.8165.444.40000109.8V270 C341 D344 R345 L346S253-V270 WeakPolarHBondContact CA-O 3.39Å; S253-C341 CarbonylContact C-O 3.52Å; S253-C341 WeakPolarHBondContact CB-O 3.46Å; S253-C341 PolarHBondContact OG-O 3.08Å; S253-D344 PolarHBondContact N-OD1 2.99Å; S253-D344 VanDerWaalsContact OG-CA 3.28Å; S253-D344 WeakPolarHBondContact OG-CA 3.23Å; S253-R345 PolarHBondContact OG-N 2.96Å; S253-L346 PolarHBondContact OG-N 2.98Å
254F84.6Confident86.2Confident87 Ų8758 Ų5838%0.38233%0.331SS..EExtended strand (participates in β ladder)trans-143.3150.6-177.852.1-87.3000111.7V256 V270 C341F254-V256 HydrophobicContact CD2-CG1 3.62Å; F254-V256 HydrophobicContact CE2-CG1 3.62Å; F254-V270 HydrophobicContact CD2-CB 3.82Å; F254-V270 HydrophobicContact CD2-CG1 4.25Å; F254-V270 HydrophobicContact CD2-CG2 4.34Å; F254-V270 HydrophobicContact CE1-CB 4.32Å; F254-V270 HydrophobicContact CE1-CG1 3.88Å; F254-V270 HydrophobicContact CE2-CB 3.49Å; F254-V270 VanDerWaalsContact CE2-CB 3.49Å; F254-V270 HydrophobicContact CE2-CG1 3.46Å; F254-V270 VanDerWaalsContact CE2-CG1 3.46Å; F254-V270 HydrophobicContact CE2-CG2 3.95Å; F254-V270 HydrophobicContact CG-CB 4.37Å; F254-V270 HydrophobicContact CZ-CB 3.78Å; F254-V270 HydrophobicContact CZ-CG1 3.24Å; F254-V270 PolarHBondContact N-O 3.21Å; F254-V270 PolarHBondContact O-N 3.25Å; F254-C341 PolarHBondContact N-O 3.25Å
255D85.3Confident86Confident37 Ų3762.1 Ų62.120%0.19835%0.351CS..  trans-93.6124.2170-175.64.8000107.4N257 P338 R342D255-N257 VanDerWaalsContact OD1-CB 3.28Å; D255-N257 WeakPolarHBondContact OD1-CB 3.44Å; D255-N257 PolarHBondContact OD1-N 2.96Å; D255-N257 PolarHBondContact OD1-ND2 2.72Å; D255-P338 HydrophobicContact CB-CB 4.43Å; D255-P338 WeakPolarHBondContact OD1-CB 3.31Å; D255-R342 HydrophobicContact CB-CG 3.89Å; D255-R342 IonicContact OD2-CZ 3.25Å; D255-R342 IonicContact OD2-NE 2.91Å; D255-R342 PolarHBondContact OD2-NE 2.89Å; D255-R342 IonicContact OD2-NH2 2.92Å; D255-R342 PolarHBondContact OD2-NH2 3.29Å
256V82.3Confident85.8Confident57 Ų5765 Ų6535%0.34536%0.362SS..  trans-92.3-6178.4-69.30000112.5F254 Q267 V270F254-V256 HydrophobicContact CD2-CG1 3.62Å; F254-V256 HydrophobicContact CE2-CG1 3.62Å; V256-Q267 HydrophobicContact CG2-CB 3.84Å; V256-V270 HydrophobicContact CB-CG2 4.48Å; V256-V270 HydrophobicContact CG1-CB 4.46Å; V256-V270 HydrophobicContact CG1-CG2 3.63Å; V256-V270 HydrophobicContact CG2-CG2 4.01Å
257N84.6Confident85.5Confident24 Ų2470.5 Ų70.513%0.12839%0.387CS..PPolyproline II helixtrans-71.8135.8-178.7-61.6-57.9000111.4D255 L266 Q267 P338D255-N257 VanDerWaalsContact OD1-CB 3.28Å; D255-N257 WeakPolarHBondContact OD1-CB 3.44Å; D255-N257 PolarHBondContact OD1-N 2.96Å; D255-N257 PolarHBondContact OD1-ND2 2.72Å; N257-L266 HydrophobicContact CB-CD1 4.03Å; N257-L266 VanDerWaalsContact CG-CD1 3.47Å; N257-L266 WeakPolarHBondContact ND2-CD1 3.08Å; N257-Q267 PolarHBondContact ND2-O 2.59Å; N257-Q267 WeakPolarHBondContact OD1-CA 3.13Å; N257-Q267 PolarHBondContact OD1-N 2.82Å; N257-Q267 PolarHBondContact OD1-O 3.38Å; N257-P338 WeakPolarHBondContact ND2-CB 3.44Å
258K81.2Confident85.2Confident165 Ų16570.3 Ų70.372%0.71739%0.394SS*.PPolyproline II helixtrans-78.5146.8174.8-63.7175.7-176.7170.90109.5G260 C261K258-G260 PolarHBondContact O-N 3.34Å; K258-C261 WeakPolarHBondContact O-CB 3.49Å; K258-C261 PolarHBondContact O-N 3.27Å; K258-C261 VanDerWaalsContact O-N 3.14Å; K258-C261 PolarHBondContact O-SG 3.02Å
259P80.6Confident85.1Confident137 Ų13770.3 Ų70.389%0.8939%0.394SS*.THydrogen-bonded Turntrans-56.9126.7170.4-21.732.5000110.3
260G82.3Confident85.1Confident79 Ų7970 Ų7081%0.81439%0.393SS*.THydrogen-bonded Turntrans87.59.6-178.400000115.4K258K258-G260 PolarHBondContact O-N 3.34Å
261C81.9Confident85.1Confident54 Ų5470 Ų7037%0.36539%0.393SS..  trans-61138.7165.7-79.20000110.7K258K258-C261 WeakPolarHBondContact O-CB 3.49Å; K258-C261 PolarHBondContact O-N 3.27Å; K258-C261 VanDerWaalsContact O-N 3.14Å; K258-C261 PolarHBondContact O-SG 3.02Å
262E86.1Confident85.2Confident134 Ų13470 Ų7063%0.62640%0.395SS*.  trans-66.5159.2171-67-61149.600110.9D264 D265 L266E262-D264 PolarHBondContact O-N 3.2Å; E262-D265 PolarHBondContact O-N 3.03Å; E262-L266 PolarHBondContact O-N 2.79Å
263V82.2Confident85.3Confident122 Ų12268.1 Ų68.174%0.73939%0.389SS*.SBendtrans-61.2-34.5-177.6-177.60000111.7L266V263-L266 VanDerWaalsContact O-CB 3.24Å; V263-L266 WeakPolarHBondContact O-CB 3.28Å; V263-L266 PolarHBondContact O-N 3.39Å
264D83.4Confident85.5Confident159 Ų15968.1 Ų68.185%0.8539%0.389SS*.THydrogen-bonded Turntrans-73.2-28.9-177.7-64.4-30.5000113.2E262 L266E262-D264 PolarHBondContact O-N 3.2Å; D264-L266 VanDerWaalsContact C-N 3.29Å
265D84.6Confident85.8Confident117 Ų11764 Ų6463%0.62637%0.371SS*.THydrogen-bonded Turntrans-89.94178.1-71.4-31.4000112.6E262 Q267E262-D265 PolarHBondContact O-N 3.03Å; D265-Q267 PolarHBondContact O-N 3.41Å; D265-Q267 VanDerWaalsContact O-N 3.12Å
266L84.1Confident86Confident86 Ų8666.5 Ų66.545%0.4538%0.383SS..  trans-67.4114-177.2-164.377.9000110.2N257 E262 V263 D264 P338N257-L266 HydrophobicContact CB-CD1 4.03Å; N257-L266 VanDerWaalsContact CG-CD1 3.47Å; N257-L266 WeakPolarHBondContact ND2-CD1 3.08Å; E262-L266 PolarHBondContact O-N 2.79Å; V263-L266 VanDerWaalsContact O-CB 3.24Å; V263-L266 WeakPolarHBondContact O-CB 3.28Å; V263-L266 PolarHBondContact O-N 3.39Å; D264-L266 VanDerWaalsContact C-N 3.29Å; L266-P338 HydrophobicContact CD1-CG 4.33Å; L266-P338 HydrophobicContact CD2-CG 3.96Å; L266-P338 HydrophobicContact CG-CG 4.25Å
267Q84.3Confident86.4Confident121 Ų12167.6 Ų67.657%0.56538%0.381SS*.PPolyproline II helixtrans-81.1144.9171.4-62.6-175.4-3.300109.6V256 N257 D265V256-Q267 HydrophobicContact CG2-CB 3.84Å; N257-Q267 PolarHBondContact ND2-O 2.59Å; N257-Q267 WeakPolarHBondContact OD1-CA 3.13Å; N257-Q267 PolarHBondContact OD1-N 2.82Å; N257-Q267 PolarHBondContact OD1-O 3.38Å; D265-Q267 PolarHBondContact O-N 3.41Å; D265-Q267 VanDerWaalsContact O-N 3.12Å
268G86.4Confident86.6Confident24 Ų2466.4 Ų66.425%0.24738%0.375CS..PPolyproline II helixtrans-70.4170.8176.100000112.6T334 I336G268-T334 CarbonylContact C-O 3.53Å; G268-T334 WeakPolarHBondContact CA-O 3.47Å; G268-I336 WeakPolarHBondContact CA-O 3.4Å
269G89.6Confident87.1Confident0 Ų059.2 Ų59.20%035%0.345CS..PPolyproline II helixtrans-67.6148-178.100000113.5T334 I336 C341G269-T334 PolarHBondContact O-N 3.02Å; G269-T334 PolarHBondContact O-OG1 3.41Å; G269-I336 PolarHBondContact N-O 3.05Å; G269-C341 WeakPolarHBondContact CA-SG 3.35Å
270V91.2Very high87.6Confident13 Ų1352.7 Ų52.78%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-108.8127.7179.6-174.30000110.8S253 F254 V256 V332S253-V270 WeakPolarHBondContact CA-O 3.39Å; F254-V270 HydrophobicContact CD2-CB 3.82Å; F254-V270 HydrophobicContact CD2-CG1 4.25Å; F254-V270 HydrophobicContact CD2-CG2 4.34Å; F254-V270 HydrophobicContact CE1-CB 4.32Å; F254-V270 HydrophobicContact CE1-CG1 3.88Å; F254-V270 HydrophobicContact CE2-CB 3.49Å; F254-V270 VanDerWaalsContact CE2-CB 3.49Å; F254-V270 HydrophobicContact CE2-CG1 3.46Å; F254-V270 VanDerWaalsContact CE2-CG1 3.46Å; F254-V270 HydrophobicContact CE2-CG2 3.95Å; F254-V270 HydrophobicContact CG-CB 4.37Å; F254-V270 HydrophobicContact CZ-CB 3.78Å; F254-V270 HydrophobicContact CZ-CG1 3.24Å; F254-V270 PolarHBondContact N-O 3.21Å; F254-V270 PolarHBondContact O-N 3.25Å; V256-V270 HydrophobicContact CB-CG2 4.48Å; V256-V270 HydrophobicContact CG1-CB 4.46Å; V256-V270 HydrophobicContact CG1-CG2 3.63Å; V256-V270 HydrophobicContact CG2-CG2 4.01Å; V270-V332 WeakPolarHBondContact CA-O 3.33Å
271A91.4Very high88Confident0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-99.4115.5171.900000109.5V250 V332 L351V250-A271 HydrophobicContact CG1-CB 4.3Å; V250-A271 HydrophobicContact CG2-CB 4.14Å; A271-V332 PolarHBondContact N-O 3.45Å; A271-V332 PolarHBondContact O-N 3.09Å; A271-L351 HydrophobicContact CB-CD1 4.17Å
272G89.6Confident88.5Confident9 Ų952.5 Ų52.59%0.09328%0.278CS..EExtended strand (participates in β ladder)trans-94.1125.9175.100000110.9I251 R252 I330I251-G272 PolarHBondContact N-O 3.5Å; R252-G272 PolarHBondContact N-O 3.2Å; R252-G272 WeakPolarHBondContact O-CA 3.18Å; R252-G272 PolarHBondContact O-N 2.75Å; G272-I330 WeakPolarHBondContact CA-O 3.44Å
273G89.7Confident88.7Confident1 Ų148.8 Ų48.81%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-167.7-173.8-17700000113.8I249 L329 I330I249-G273 WeakPolarHBondContact O-CA 3.35Å; G273-L329 WeakPolarHBondContact O-CA 3.4Å; G273-I330 PolarHBondContact N-O 3.34Å; G273-I330 PolarHBondContact O-N 2.85Å
274S90.3Very high89.1Confident5 Ų545 Ų454%0.03525%0.25CC..EExtended strand (participates in β ladder)trans-117.7136171.5-178.40000109N35 V143 L248 I249 G328N35-S274 PolarHBondContact ND2-OG 3.16Å; N35-S274 VanDerWaalsContact ND2-OG 3.12Å; V143-S274 VanDerWaalsContact CG1-CB 3.42Å; L248-S274 WeakPolarHBondContact CA-O 3.24Å; I249-S274 PolarHBondContact N-O 2.92Å; I249-S274 PolarHBondContact O-N 2.83Å; S274-G328 VanDerWaalsContact CB-O 3.28Å; S274-G328 WeakPolarHBondContact CB-O 3.4Å; S274-G328 PolarHBondContact OG-O 3.25Å; S274-G328 VanDerWaalsContact OG-O 3.12Å
275I91.6Very high89.6Confident1 Ų144.4 Ų44.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-76.5124.7170.6-60173.2000107.6R247 L248 R277 G278 L280 A324 P326 G327 I330R247-I275 CarbonylContact O-C 3.56Å; R247-I275 WeakPolarHBondContact O-CA 3.43Å; L248-I275 HydrophobicContact CB-CG1 4.13Å; L248-I275 HydrophobicContact CD1-CG1 3.8Å; L248-I275 HydrophobicContact CG-CG1 4.35Å; I275-R277 VanDerWaalsContact CG2-O 3.23Å; I275-R277 WeakPolarHBondContact CG2-O 3.47Å; I275-G278 VanDerWaalsContact CG2-O 3.31Å; I275-G278 WeakPolarHBondContact CG2-O 3.27Å; I275-L280 HydrophobicContact CD1-CB 4.06Å; I275-L280 HydrophobicContact CD1-CD1 3.72Å; I275-L280 HydrophobicContact CD1-CG 3.83Å; I275-L280 HydrophobicContact CG1-CD1 4Å; I275-L280 HydrophobicContact CG1-CG 4.45Å; I275-A324 HydrophobicContact CD1-CB 3.68Å; I275-A324 WeakPolarHBondContact CD1-O 3.42Å; I275-P326 HydrophobicContact CG2-CB 4.22Å; I275-P326 HydrophobicContact CG2-CG 3.95Å; I275-P326 CarbonylContact O-C 3.59Å; I275-P326 VanDerWaalsContact O-CA 3.29Å; I275-P326 WeakPolarHBondContact O-CA 3.49Å; I275-G327 PolarHBondContact O-N 3.16Å; I275-I330 HydrophobicContact CB-CD1 4.31Å; I275-I330 HydrophobicContact CD1-CD1 3.45Å; I275-I330 VanDerWaalsContact CD1-CD1 3.45Å; I275-I330 HydrophobicContact CG1-CD1 3.58Å
276L88.9Confident90.1Very high88 Ų8838.8 Ų38.846%0.46121%0.21SC..EExtended strand (participates in β ladder)trans-80.2-42.1174.5-71.4-179.1000111.6R247 I249R247-L276 PolarHBondContact O-N 3.26Å; I249-L276 HydrophobicContact CD1-CD1 3.4Å; I249-L276 VanDerWaalsContact CD1-CD1 3.4Å; I249-L276 HydrophobicContact CD1-CD2 4.35Å; I249-L276 HydrophobicContact CD1-CG 3.99Å; I249-L276 HydrophobicContact CG1-CD1 3.8Å; I249-L276 HydrophobicContact CG1-CG 4.16Å
277R89.6Confident90.5Very high80 Ų8035 Ų3530%0.30219%0.19SC..EExtended strand (participates in β ladder)trans-155.8160.1-17868.8-170.5-167.1-177.711.9111D241 S244 P246 R247 I275D241-R277 HydrophobicContact CB-CB 4.33Å; D241-R277 CarbonylContact O-C 3.55Å; D241-R277 WeakPolarHBondContact O-CA 3.37Å; S244-R277 WeakPolarHBondContact OG-CD 3.18Å; S244-R277 WeakPolarHBondContact OG-CG 3.41Å; P246-R277 CarbonylContact C-O 3.55Å; P246-R277 VanDerWaalsContact CA-O 3.24Å; P246-R277 WeakPolarHBondContact CA-O 3.2Å; R247-R277 HydrophobicContact CB-CG 4.24Å; R247-R277 HydrophobicContact CG-CG 4.44Å; R247-R277 PolarHBondContact N-O 2.7Å; I275-R277 VanDerWaalsContact CG2-O 3.23Å; I275-R277 WeakPolarHBondContact CG2-O 3.47Å
278G89.8Confident90.9Very high0 Ų029.2 Ų29.20%016%0.163CC..SBendtrans72174.1-177.100000114D241 S244 I275 P326D241-G278 PolarHBondContact O-N 2.63Å; S244-G278 WeakPolarHBondContact O-CA 3.38Å; I275-G278 VanDerWaalsContact CG2-O 3.31Å; I275-G278 WeakPolarHBondContact CG2-O 3.27Å; G278-P326 WeakPolarHBondContact O-CD 3.45Å; G278-P326 WeakPolarHBondContact O-CG 3.42Å
279V90.7Very high91.1Very high13 Ų1329.6 Ų29.68%0.07916%0.157CC..  trans-114.7132.1-178.5179.50000109.7V17 F242 Y323 A324 V325V17-V279 HydrophobicContact CG1-CG2 4.27Å; F242-V279 HydrophobicContact CB-CG2 4.22Å; F242-V279 HydrophobicContact CD1-CG2 4.32Å; V279-Y323 HydrophobicContact CG1-CD2 3.96Å; V279-Y323 HydrophobicContact CG1-CG 4.38Å; V279-A324 WeakPolarHBondContact CA-O 3.09Å; V279-A324 WeakPolarHBondContact CG1-O 3.45Å; V279-V325 HydrophobicContact CG2-CG1 4.31Å
280L91.5Very high90.9Very high0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-94.1134.4171.3-70.7177.8000109.6P246 L248 I275 I286 I311 L314 Y323 A324 V332 L351P246-L280 HydrophobicContact CB-CD2 3.51Å; P246-L280 HydrophobicContact CB-CG 3.98Å; P246-L280 HydrophobicContact CG-CD2 3.78Å; L248-L280 HydrophobicContact CB-CD1 4.3Å; L248-L280 HydrophobicContact CD1-CD1 4.03Å; I275-L280 HydrophobicContact CD1-CB 4.06Å; I275-L280 HydrophobicContact CD1-CD1 3.72Å; I275-L280 HydrophobicContact CD1-CG 3.83Å; I275-L280 HydrophobicContact CG1-CD1 4Å; I275-L280 HydrophobicContact CG1-CG 4.45Å; L280-I286 HydrophobicContact CD2-CG2 4.26Å; L280-I311 HydrophobicContact CB-CD1 4.04Å; L280-I311 HydrophobicContact CD1-CD1 4.39Å; L280-I311 HydrophobicContact CD2-CD1 3.9Å; L280-I311 HydrophobicContact CG-CD1 4.34Å; L280-L314 HydrophobicContact CB-CD1 4.46Å; L280-Y323 CarbonylContact O-C 3.59Å; L280-Y323 WeakPolarHBondContact O-CA 3.4Å; L280-A324 HydrophobicContact CB-CB 4.49Å; L280-A324 PolarHBondContact N-O 2.9Å; L280-A324 PolarHBondContact O-N 2.91Å; L280-V332 HydrophobicContact CD1-CG2 4.19Å; L280-L351 HydrophobicContact CD1-CD2 4.05Å; L280-L351 HydrophobicContact CD2-CD2 4.3Å
281K91.4Very high90.7Very high67 Ų6729.5 Ų29.529%0.29116%0.157SC..EExtended strand (participates in β ladder)trans-113.9146.2176.6-61.3-176.6178.9-163.70110.6V12 Q284V12-K281 HydrophobicContact CG1-CD 3.87Å; V12-K281 HydrophobicContact CG1-CG 4.39Å; K281-Q284 HydrophobicContact CB-CB 4.49Å; K281-Q284 WeakPolarHBondContact O-CB 3.37Å; K281-Q284 PolarHBondContact O-N 2.88Å
282V91.6Very high90.4Very high63 Ų6333.6 Ų33.638%0.38218%0.179SC..THydrogen-bonded Turntrans-60.4138.3170.2176.20000109.6Q284 V312 L314 L321 A322V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 2.83Å; V282-V312 WeakPolarHBondContact CG1-O 3.17Å; V282-L314 HydrophobicContact CG2-CB 4.33Å; V282-L314 HydrophobicContact CG2-CD1 3.9Å; V282-L314 HydrophobicContact CG2-CG 3.94Å; V282-L321 WeakPolarHBondContact CG2-O 3.33Å; V282-A322 WeakPolarHBondContact CG2-O 2.9Å; V282-A322 PolarHBondContact N-O 3.36Å; V282-A322 VanDerWaalsContact N-O 3.13Å
283G90.5Very high90.1Very high56 Ų5636 Ų3658%0.57719%0.192SC*.THydrogen-bonded Turntrans83.8-7.1-175.800000115.1I311G283-I311 WeakPolarHBondContact CA-O 3.17Å; G283-I311 PolarHBondContact N-O 3.26Å
284Q90.6Very high89.7Confident41 Ų4139 Ų3919%0.19221%0.213CC..  trans-69.5140.1179-172.9176.59.700111.9K281 V282 C310 I311K281-Q284 HydrophobicContact CB-CB 4.49Å; K281-Q284 WeakPolarHBondContact O-CB 3.37Å; K281-Q284 PolarHBondContact O-N 2.88Å; V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 2.83Å; Q284-C310 WeakPolarHBondContact O-CA 3.36Å; Q284-I311 HydrophobicContact CB-CD1 4.24Å; Q284-I311 PolarHBondContact O-N 3.46Å
285K94Very high89Confident147 Ų14745.2 Ų45.264%0.63924%0.239SC*.EExtended strand (participates in β ladder)trans-74.8129.4169.5-69.3-174.5179.4-179.30110.3V354K285-V354 HydrophobicContact CB-CG2 4.28Å
286I94.4Very high88Confident0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-127.4155.9-17753.6162.4000110.5L280 S309 I311 T334 L351 G352L280-I286 HydrophobicContact CD2-CG2 4.26Å; I286-S309 WeakPolarHBondContact CG1-O 3.45Å; I286-S309 PolarHBondContact N-O 3.03Å; I286-S309 PolarHBondContact O-N 3.09Å; I286-S309 VanDerWaalsContact O-O 3.08Å; I286-I311 HydrophobicContact CD1-CG1 3.85Å; I286-I311 HydrophobicContact CG1-CG1 4.13Å; I286-I311 HydrophobicContact CG2-CD1 3.56Å; I286-I311 HydrophobicContact CG2-CG1 3.74Å; I286-T334 HydrophobicContact CD1-CG2 3.66Å; I286-L351 HydrophobicContact CB-CD2 4.1Å; I286-L351 HydrophobicContact CB-CG 4.44Å; I286-L351 HydrophobicContact CD1-CD1 3.67Å; I286-L351 HydrophobicContact CD1-CD2 3.96Å; I286-L351 HydrophobicContact CD1-CG 3.86Å; I286-L351 HydrophobicContact CG2-CD2 3.96Å; I286-G352 CarbonylContact C-O 3.54Å; I286-G352 VanDerWaalsContact CA-O 3.3Å; I286-G352 WeakPolarHBondContact CA-O 3.33Å
287E93.2Very high86.8Confident6 Ų650.1 Ų50.13%0.02828%0.275CS..EExtended strand (participates in β ladder)trans-120.2146.1172.8-175.3-176.8176.500108.6R289 P306 I307 L351 G352 V354 G355 L357E287-R289 HydrophobicContact CG-CG 4.38Å; E287-R289 IonicContact OE1-CZ 2.73Å; E287-R289 VanDerWaalsContact OE1-CZ 3.25Å; E287-R289 IonicContact OE1-NE 3.95Å; E287-R289 PolarHBondContact OE1-NE 2.73Å; E287-R289 IonicContact OE1-NH2 2.96Å; E287-R289 PolarHBondContact OE1-NH2 2.82Å; E287-R289 IonicContact OE2-CZ 3.87Å; E287-R289 IonicContact OE2-NE 3.2Å; E287-R289 IonicContact OE2-NH2 3.46Å; E287-R289 PolarHBondContact OE2-NH2 2.91Å; E287-P306 HydrophobicContact CG-CB 3.87Å; E287-P306 WeakPolarHBondContact OE1-CB 3.47Å; E287-I307 CarbonylContact C-O 3.37Å; E287-I307 WeakPolarHBondContact CA-O 3.4Å; E287-L351 WeakPolarHBondContact O-CA 3.25Å; E287-G352 PolarHBondContact N-O 2.76Å; E287-G352 PolarHBondContact O-N 2.77Å; E287-V354 HydrophobicContact CB-CB 4.4Å; E287-V354 HydrophobicContact CB-CG2 4.18Å; E287-V354 WeakPolarHBondContact OE2-CA 3.46Å; E287-G355 PolarHBondContact OE2-N 2.95Å; E287-L357 HydrophobicContact CB-CD1 3.98Å; E287-L357 HydrophobicContact CG-CD1 4.01Å; E287-L357 WeakPolarHBondContact O-CD1 3.43Å
288I93Very high85.2Confident0 Ų055.3 Ų55.30%030%0.303CS..EExtended strand (participates in β ladder)trans-119.2121.8172.2-55.7-169.6000109P306 I307 I336 L346 H349 V350 L351I288-P306 WeakPolarHBondContact O-CA 3.43Å; I288-I307 HydrophobicContact CB-CB 4.34Å; I288-I307 PolarHBondContact N-O 2.63Å; I288-I307 PolarHBondContact O-N 3.35Å; I288-I336 HydrophobicContact CD1-CD1 3.23Å; I288-I336 HydrophobicContact CG1-CD1 4.19Å; I288-L346 HydrophobicContact CD1-CD1 4.32Å; I288-H349 HydrophobicContact CG2-CB 3.53Å; I288-V350 WeakPolarHBondContact CA-O 3.33Å; I288-L351 HydrophobicContact CD1-CD1 4.06Å; I288-L351 HydrophobicContact CD1-CG 4.45Å; I288-L351 HydrophobicContact CG1-CB 4.21Å; I288-L351 HydrophobicContact CG1-CD1 4.23Å; I288-L351 HydrophobicContact CG1-CG 4.07Å
289R90.7Very high83.6Confident32 Ų3260.6 Ų60.612%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-116.4145.3174.8-72.5-171.9-173.7170.62.9111.4E287 G291 P306 H349 V350 L357 P358 C427E287-R289 HydrophobicContact CG-CG 4.38Å; E287-R289 IonicContact OE1-CZ 2.73Å; E287-R289 VanDerWaalsContact OE1-CZ 3.25Å; E287-R289 IonicContact OE1-NE 3.95Å; E287-R289 PolarHBondContact OE1-NE 2.73Å; E287-R289 IonicContact OE1-NH2 2.96Å; E287-R289 PolarHBondContact OE1-NH2 2.82Å; E287-R289 IonicContact OE2-CZ 3.87Å; E287-R289 IonicContact OE2-NE 3.2Å; E287-R289 IonicContact OE2-NH2 3.46Å; E287-R289 PolarHBondContact OE2-NH2 2.91Å; R289-G291 VanDerWaalsContact C-N 3.32Å; R289-P306 HydrophobicContact CG-CB 4.1Å; R289-H349 CarbonylContact O-C 3.39Å; R289-H349 VanDerWaalsContact O-CA 3.3Å; R289-H349 WeakPolarHBondContact O-CA 3.36Å; R289-H349 WeakPolarHBondContact O-CB 3.33Å; R289-V350 PolarHBondContact N-O 3.45Å; R289-V350 PolarHBondContact O-N 3.44Å; R289-L357 HydrophobicContact CB-CD1 3.97Å; R289-L357 HydrophobicContact CG-CB 4.25Å; R289-L357 HydrophobicContact CG-CD1 3.72Å; R289-L357 PolarHBondContact NH1-O 3.36Å; R289-P358 PolarHBondContact NH1-O 2.85Å; R289-C427 HydrophobicContact CB-CB 4.05Å
290P86.1Confident82.3Confident4 Ų463 Ų633%0.02636%0.363CS..EExtended strand (participates in β ladder)cis-73-13.73.129.5-36.9000115.1V293 I360 P425P290-V293 HydrophobicContact CB-CG2 4.4Å; P290-V293 HydrophobicContact CG-CG2 4.36Å; P290-I360 HydrophobicContact CB-CD1 4.03Å; P290-I360 HydrophobicContact CB-CG1 4.31Å; P290-I360 HydrophobicContact CB-CG2 4.1Å; P290-P425 HydrophobicContact CB-CG 4.42Å
291G85.3Confident81.2Confident6 Ų664.3 Ų64.36%0.06238%0.376CS..EExtended strand (participates in β ladder)trans82.3-131.7177.800000112R289 R305 H349R289-G291 VanDerWaalsContact C-N 3.32Å; G291-R305 CarbonylContact C-O 3.56Å; G291-R305 WeakPolarHBondContact CA-O 3.48Å; G291-H349 PolarHBondContact N-CD2 2.65Å; G291-H349 PolarHBondContact N-NE2 2.76Å; G291-H349 PolarHBondContact O-NE2 3.27Å
292L85.2Confident80.5Confident86 Ų8662.6 Ų62.645%0.4537%0.371SS..EExtended strand (participates in β ladder)trans-83122.8174.8-63.2173.7000109.7C304 R305 I307 L340L292-C304 WeakPolarHBondContact O-CA 3.23Å; L292-R305 HydrophobicContact CB-CB 4.43Å; L292-R305 PolarHBondContact N-O 3.5Å; L292-R305 PolarHBondContact O-N 3.39Å; L292-I307 HydrophobicContact CD2-CD1 4.45Å; L292-I307 HydrophobicContact CG-CD1 4.28Å; L292-I307 HydrophobicContact CG-CG1 4.27Å; L292-L340 HydrophobicContact CD2-CD1 4.23Å; L292-L340 HydrophobicContact CD2-CD2 3.73Å
293V83.5Confident80Confident61 Ų6161.4 Ų61.437%0.3736%0.364SS..EExtended strand (participates in β ladder)trans-103.2111.5176.9-177.60000108P290 V302 P425P290-V293 HydrophobicContact CB-CG2 4.4Å; P290-V293 HydrophobicContact CG-CG2 4.36Å; V293-V302 HydrophobicContact CG1-CG1 3.51Å; V293-P425 HydrophobicContact CB-CG 4.28Å; V293-P425 HydrophobicContact CG1-CG 3.69Å; V293-P425 HydrophobicContact CG2-CG 3.53Å
294S81.1Confident79.6Confident64 Ų6458.7 Ų58.745%0.44834%0.337SS..EExtended strand (participates in β ladder)trans-102.2142.6168.9-176.70000109.3T303S294-T303 WeakPolarHBondContact CB-OG1 3.47Å; S294-T303 PolarHBondContact N-O 2.8Å; S294-T303 PolarHBondContact O-N 3.1Å; S294-T303 PolarHBondContact O-OG1 3.36Å
295K75.4Confident79.5Confident134 Ų13464 Ų6458%0.58336%0.355SS*.EExtended strand (participates in β ladder)trans-107.4116.1171.3-67.5-174177.3-174.70106.7S297 N423K295-S297 PolarHBondContact O-N 2.98Å; K295-N423 PolarHBondContact NZ-O 3.19Å
296D72.2Confident79.3Confident66 Ų6657.7 Ų57.735%0.35333%0.329SS..  trans-72.7123.3176.1-65.2-20.2000108.4E298 G300 G301 T303D296-E298 PolarHBondContact O-N 2.96Å; D296-G300 PolarHBondContact O-N 3.05Å; D296-G301 PolarHBondContact N-O 3.18Å; D296-T303 WeakPolarHBondContact OD2-CG2 3.26Å
297S62.8Low79.2Confident126 Ų12658.7 Ų58.788%0.88133%0.334SS*.THydrogen-bonded Turntrans-65.7-24.2-173.937.90000113.8K295K295-S297 PolarHBondContact O-N 2.98Å
298E56.6Low79.1Confident189 Ų18963.4 Ų63.488%0.88336%0.359SS*.THydrogen-bonded Turntrans-94.5-40.2-172.3-65.6179.317600113.6D296D296-E298 PolarHBondContact O-N 2.96Å
299T55.6Low79.1Confident111 Ų11163.9 Ų63.968%0.68136%0.362SS*.THydrogen-bonded Turntrans-99.6-9.9-177.255.80000113.3G301T299-G301 PolarHBondContact O-N 2.95Å; T299-G301 VanDerWaalsContact O-N 3.07Å; T299-G301 PolarHBondContact OG1-N 2.84Å
300G64.3Low79.2Confident64 Ų6464.1 Ų64.166%0.6637%0.368SS*.  trans62.57.5-167.800000113.2D296D296-G300 PolarHBondContact O-N 3.05Å
301G68.6Low79.6Confident27 Ų2764 Ų6428%0.27837%0.368SS..PPolyproline II helixtrans-67.9134.4177.500000110.3D296 T299D296-G301 PolarHBondContact N-O 3.18Å; T299-G301 PolarHBondContact O-N 2.95Å; T299-G301 VanDerWaalsContact O-N 3.07Å; T299-G301 PolarHBondContact OG1-N 2.84Å
302V76.3Confident79.9Confident31 Ų3167.6 Ų67.619%0.18839%0.388CS..EExtended strand (participates in β ladder)trans-91.2121.6172.7-177.20000107V293 P425 I458V293-V302 HydrophobicContact CG1-CG1 3.51Å; V302-P425 HydrophobicContact CG1-CG 3.97Å; V302-I458 HydrophobicContact CB-CD1 3.96Å; V302-I458 VanDerWaalsContact O-CD1 3.27Å; V302-I458 WeakPolarHBondContact O-CD1 3.42Å
303T80.2Confident80.2Confident38 Ų3865.1 Ų65.123%0.23338%0.378CS..EExtended strand (participates in β ladder)trans-103.7128.6173.349.60000109.1S294 D296S294-T303 WeakPolarHBondContact CB-OG1 3.47Å; S294-T303 PolarHBondContact N-O 2.8Å; S294-T303 PolarHBondContact O-N 3.1Å; S294-T303 PolarHBondContact O-OG1 3.36Å; D296-T303 WeakPolarHBondContact OD2-CG2 3.26Å
304C83.5Confident80.6Confident0 Ų062.3 Ų62.30%036%0.361CS..EExtended strand (participates in β ladder)trans-112.1122.5179.8-61.20000109.2L292 I360 P425 P460 V461L292-C304 WeakPolarHBondContact O-CA 3.23Å; C304-I360 HydrophobicContact CB-CD1 3.83Å; C304-P425 VanDerWaalsContact SG-CG 3.54Å; C304-P460 WeakPolarHBondContact O-CA 3.48Å; C304-V461 PolarHBondContact O-N 3.03Å
305R87.7Confident81Confident151 Ų15163 Ų6357%0.5736%0.356SS*.EExtended strand (participates in β ladder)trans-110.1114.4172.1-70.7-174.5-179.4161.21.9109.8G291 L292 V461G291-R305 CarbonylContact C-O 3.56Å; G291-R305 WeakPolarHBondContact CA-O 3.48Å; L292-R305 HydrophobicContact CB-CB 4.43Å; L292-R305 PolarHBondContact N-O 3.5Å; L292-R305 PolarHBondContact O-N 3.39Å; R305-V461 HydrophobicContact CG-CB 4.32Å
306P90Very high81.4Confident15 Ų1556.7 Ų56.710%0.09733%0.328CS..EExtended strand (participates in β ladder)trans-66.8145.3177.128.9-31.5000110.1E287 I288 R289 P460 V461E287-P306 HydrophobicContact CG-CB 3.87Å; E287-P306 WeakPolarHBondContact OE1-CB 3.47Å; I288-P306 WeakPolarHBondContact O-CA 3.43Å; R289-P306 HydrophobicContact CG-CB 4.1Å; P306-P460 HydrophobicContact CG-CB 4.1Å; P306-V461 VanDerWaalsContact CD-O 3.31Å; P306-V461 WeakPolarHBondContact CD-O 3.33Å
307I91Very high81.9Confident22 Ų2256 Ų5611%0.11332%0.323CS..EExtended strand (participates in β ladder)trans-94.8117.3177.8-58.9165.4000107.8E287 I288 L292 I336 L340 L346E287-I307 CarbonylContact C-O 3.37Å; E287-I307 WeakPolarHBondContact CA-O 3.4Å; I288-I307 HydrophobicContact CB-CB 4.34Å; I288-I307 PolarHBondContact N-O 2.63Å; I288-I307 PolarHBondContact O-N 3.35Å; L292-I307 HydrophobicContact CD2-CD1 4.45Å; L292-I307 HydrophobicContact CG-CD1 4.28Å; L292-I307 HydrophobicContact CG-CG1 4.27Å; I307-I336 HydrophobicContact CG2-CD1 3.85Å; I307-I336 HydrophobicContact CG2-CG1 3.92Å; I307-I336 HydrophobicContact CG2-CG2 4.4Å; I307-L340 HydrophobicContact CD1-CD1 3.97Å; I307-L346 HydrophobicContact CD1-CD2 4.27Å
308I92.4Very high82.6Confident104 Ų10456 Ų5653%0.53331%0.309SS..EExtended strand (participates in β ladder)trans-93.9130.2173.8-55.6172.8000108.2V354I308-V354 HydrophobicContact CG2-CG2 4.45Å
309S93Very high83.9Confident10 Ų1047 Ų477%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-146.7-178.4179.1-162.70000111.5I286 K335 I336I286-S309 WeakPolarHBondContact CG1-O 3.45Å; I286-S309 PolarHBondContact N-O 3.03Å; I286-S309 PolarHBondContact O-N 3.09Å; I286-S309 VanDerWaalsContact O-O 3.08Å; S309-K335 PolarHBondContact OG-N 2.89Å; S309-K335 VanDerWaalsContact OG-N 3.13Å; S309-I336 WeakPolarHBondContact OG-CG1 3.41Å; S309-I336 PolarHBondContact OG-N 3.09Å
310C93.1Very high85.4Confident37 Ų3745.9 Ų45.925%0.2526%0.257CS..EExtended strand (participates in β ladder)trans-124.4144.9174.7-63.30000109.5Q284 V312 T334 K335Q284-C310 WeakPolarHBondContact O-CA 3.36Å; C310-V312 PolarHBondContact O-N 3.28Å; C310-T334 WeakPolarHBondContact O-CA 3.31Å; C310-K335 HydrophobicContact CB-CD 4.4Å; C310-K335 PolarHBondContact O-N 3.18Å
311I93.5Very high86.5Confident3 Ų343.2 Ų43.22%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-75.4122.6173.1-60.5171.9000108.9L280 G283 Q284 I286 L314 V332L280-I311 HydrophobicContact CB-CD1 4.04Å; L280-I311 HydrophobicContact CD1-CD1 4.39Å; L280-I311 HydrophobicContact CD2-CD1 3.9Å; L280-I311 HydrophobicContact CG-CD1 4.34Å; G283-I311 WeakPolarHBondContact CA-O 3.17Å; G283-I311 PolarHBondContact N-O 3.26Å; Q284-I311 HydrophobicContact CB-CD1 4.24Å; Q284-I311 PolarHBondContact O-N 3.46Å; I286-I311 HydrophobicContact CD1-CG1 3.85Å; I286-I311 HydrophobicContact CG1-CG1 4.13Å; I286-I311 HydrophobicContact CG2-CD1 3.56Å; I286-I311 HydrophobicContact CG2-CG1 3.74Å; I311-L314 HydrophobicContact CG2-CD1 4.47Å; I311-L314 HydrophobicContact CG2-CD2 3.77Å; I311-L314 HydrophobicContact CG2-CG 3.84Å; I311-V332 HydrophobicContact CB-CG1 4.49Å; I311-V332 HydrophobicContact CD1-CG1 4.26Å; I311-V332 HydrophobicContact CG1-CG1 3.83Å; I311-V332 HydrophobicContact CG2-CG1 4.07Å
312V92.3Very high87.4Confident81 Ų8143.1 Ų43.149%0.49122%0.224SC..EExtended strand (participates in β ladder)trans-94.6-41.8176.6-178.60000110.7V282 C310 G333 K335V282-V312 WeakPolarHBondContact CG1-O 3.17Å; C310-V312 PolarHBondContact O-N 3.28Å; V312-G333 PolarHBondContact N-O 2.92Å; V312-K335 HydrophobicContact CG2-CD 4.44Å; V312-K335 HydrophobicContact CG2-CG 3.48Å; V312-K335 VanDerWaalsContact CG2-CG 3.48Å
313S91.3Very high88Confident34 Ų3441.7 Ų41.724%0.23822%0.215CC..EExtended strand (participates in β ladder)trans-151152.7-177.160.80000110.7F315 G333S313-F315 WeakPolarHBondContact OG-CE2 3.32Å; S313-G333 PolarHBondContact N-O 3.33Å; S313-G333 PolarHBondContact O-N 2.82Å
314L91.9Very high88.4Confident2 Ų239.9 Ų39.91%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-125.7129.1173.9-64.8170.1000108.3L280 V282 I311 L321 A324 I330 V332L280-L314 HydrophobicContact CB-CD1 4.46Å; V282-L314 HydrophobicContact CG2-CB 4.33Å; V282-L314 HydrophobicContact CG2-CD1 3.9Å; V282-L314 HydrophobicContact CG2-CG 3.94Å; I311-L314 HydrophobicContact CG2-CD1 4.47Å; I311-L314 HydrophobicContact CG2-CD2 3.77Å; I311-L314 HydrophobicContact CG2-CG 3.84Å; L314-L321 HydrophobicContact CB-CB 3.82Å; L314-L321 PolarHBondContact O-N 3.27Å; L314-A324 HydrophobicContact CD1-CB 3.93Å; L314-A324 HydrophobicContact CD2-CB 4.42Å; L314-I330 HydrophobicContact CD2-CG2 4.21Å; L314-V332 HydrophobicContact CD2-CB 4.17Å; L314-V332 HydrophobicContact CD2-CG1 3.93Å; L314-V332 HydrophobicContact CD2-CG2 3.77Å
315F89.3Confident88.8Confident79 Ų7939.9 Ų39.935%0.34620%0.204SC..EExtended strand (participates in β ladder)trans-127.3132.9-179.3-73.7-80.5000111.3S313 N319 D320 I330 G331S313-F315 WeakPolarHBondContact OG-CE2 3.32Å; F315-N319 WeakPolarHBondContact CA-O 3.43Å; F315-D320 WeakPolarHBondContact CE1-OD1 3.29Å; F315-D320 VanDerWaalsContact CZ-OD1 3.27Å; F315-D320 WeakPolarHBondContact CZ-OD1 3.38Å; F315-I330 CarbonylContact O-C 3.48Å; F315-I330 WeakPolarHBondContact O-CA 3.41Å; F315-G331 PolarHBondContact N-O 2.81Å; F315-G331 PolarHBondContact O-N 2.9Å
316A84.6Confident88.9Confident0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-104.398.2158.800000108.1Q31 Q318 N319 L321Q31-A316 HydrophobicContact CG-CB 4.4Å; A316-Q318 PolarHBondContact O-N 2.72Å; A316-N319 PolarHBondContact N-O 3.05Å; A316-N319 WeakPolarHBondContact O-CB 3.13Å; A316-N319 PolarHBondContact O-N 2.96Å; A316-L321 HydrophobicContact CB-CD1 3.84Å; A316-L321 HydrophobicContact CB-CG 4.36Å
317E81.5Confident88.7Confident52 Ų5232 Ų3224%0.24317%0.172CC..THydrogen-bonded Turntrans54.8-93.2-170.6-66-177.9145.600114.3A76 N77 S99A76-E317 WeakPolarHBondContact CA-OE1 3.12Å; N77-E317 HydrophobicContact CB-CG 4.43Å; N77-E317 WeakPolarHBondContact CB-OE2 3.05Å; N77-E317 PolarHBondContact N-OE1 2.81Å; N77-E317 WeakPolarHBondContact ND2-CG 3.02Å; S99-E317 WeakPolarHBondContact CB-OE2 3.42Å; S99-E317 PolarHBondContact OG-OE2 2.86Å
318Q78.6Confident88.4Confident126 Ų12630.9 Ų30.959%0.58917%0.167SC*.THydrogen-bonded Turntrans-113.10.4-178.6-63.4-173.6-600112.7R5 A316R5-Q318 PolarHBondContact NH1-O 3.07Å; A316-Q318 PolarHBondContact O-N 2.72Å
319N83.4Confident88.1Confident1 Ų126.8 Ų26.81%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-98.4125.6-178.2-64.3-15.9000109.7R30 S99 F315 A316R30-N319 PolarHBondContact O-ND2 3.4Å; R30-N319 VanDerWaalsContact O-ND2 3.09Å; S99-N319 PolarHBondContact O-ND2 2.85Å; F315-N319 WeakPolarHBondContact CA-O 3.43Å; A316-N319 PolarHBondContact N-O 3.05Å; A316-N319 WeakPolarHBondContact O-CB 3.13Å; A316-N319 PolarHBondContact O-N 2.96Å
320D86.9Confident88Confident86 Ų8626.4 Ų26.446%0.4614%0.143SC..EExtended strand (participates in β ladder)trans-71.9131.8171-68.7-65.1000110.6R30 F315R30-D320 WeakPolarHBondContact CD-O 3.16Å; R30-D320 PolarHBondContact NH1-O 2.93Å; F315-D320 WeakPolarHBondContact CE1-OD1 3.29Å; F315-D320 VanDerWaalsContact CZ-OD1 3.27Å; F315-D320 WeakPolarHBondContact CZ-OD1 3.38Å
321L87.6Confident87.9Confident8 Ų825.2 Ų25.24%0.04214%0.137CC..EExtended strand (participates in β ladder)trans-116.7134.7177.7-60.8175.9000110.2R30 Q31 V282 L314 A316 A324R30-L321 HydrophobicContact CB-CD2 3.37Å; R30-L321 HydrophobicContact CG-CD2 4.4Å; Q31-L321 HydrophobicContact CB-CD1 4.28Å; Q31-L321 HydrophobicContact CB-CD2 4.1Å; Q31-L321 HydrophobicContact CG-CD1 4.12Å; V282-L321 WeakPolarHBondContact CG2-O 3.33Å; L314-L321 HydrophobicContact CB-CB 3.82Å; L314-L321 PolarHBondContact O-N 3.27Å; A316-L321 HydrophobicContact CB-CD1 3.84Å; A316-L321 HydrophobicContact CB-CG 4.36Å; L321-A324 HydrophobicContact CD1-CB 4.26Å
322A86.9Confident87.8Confident26 Ų2625.1 Ų25.122%0.21514%0.137CC..SBendtrans-86.2-31.7172.800000111.1Q10 V12 V282Q10-A322 HydrophobicContact CB-CB 3.96Å; V12-A322 HydrophobicContact CG2-CB 3.53Å; V282-A322 WeakPolarHBondContact CG2-O 2.9Å; V282-A322 PolarHBondContact N-O 3.36Å; V282-A322 VanDerWaalsContact N-O 3.13Å
323Y89.2Confident87.8Confident0 Ų021.5 Ų21.50%012%0.116CC..EExtended strand (participates in β ladder)trans-140.2149.6168.563.4-86.5000109.5Q10 L15 L20 E26 V27 V279 L280 V325Q10-Y323 HydrophobicContact CB-CD1 4.09Å; Q10-Y323 HydrophobicContact CB-CE1 3.58Å; Q10-Y323 HydrophobicContact CG-CD1 4.34Å; Q10-Y323 HydrophobicContact CG-CE1 3.6Å; Q10-Y323 PolarHBondContact OE1-O 2.92Å; L15-Y323 HydrophobicContact CD1-CD1 3.48Å; L15-Y323 VanDerWaalsContact CD1-CD1 3.48Å; L15-Y323 HydrophobicContact CD1-CD2 3.72Å; L15-Y323 HydrophobicContact CD1-CE1 3.24Å; L15-Y323 HydrophobicContact CD1-CE2 3.5Å; L15-Y323 VanDerWaalsContact CD1-CE2 3.5Å; L15-Y323 HydrophobicContact CD1-CG 3.71Å; L20-Y323 HydrophobicContact CD1-CE2 4.34Å; E26-Y323 PolarHBondContact OE2-OH 3.38Å; V27-Y323 HydrophobicContact CG2-CE2 3.96Å; V279-Y323 HydrophobicContact CG1-CD2 3.96Å; V279-Y323 HydrophobicContact CG1-CG 4.38Å; L280-Y323 CarbonylContact O-C 3.59Å; L280-Y323 WeakPolarHBondContact O-CA 3.4Å; Y323-V325 HydrophobicContact CD2-CG1 3.96Å; Y323-V325 HydrophobicContact CE2-CG1 3.88Å
324A89.6Confident87.9Confident0 Ų020 Ų200%011%0.105CC..EExtended strand (participates in β ladder)trans-117.8132.9178.600000110.1I275 V279 L280 L314 L321 I330I275-A324 HydrophobicContact CD1-CB 3.68Å; I275-A324 WeakPolarHBondContact CD1-O 3.42Å; V279-A324 WeakPolarHBondContact CA-O 3.09Å; V279-A324 WeakPolarHBondContact CG1-O 3.45Å; L280-A324 HydrophobicContact CB-CB 4.49Å; L280-A324 PolarHBondContact N-O 2.9Å; L280-A324 PolarHBondContact O-N 2.91Å; L314-A324 HydrophobicContact CD1-CB 3.93Å; L314-A324 HydrophobicContact CD2-CB 4.42Å; L321-A324 HydrophobicContact CD1-CB 4.26Å; A324-I330 HydrophobicContact CB-CD1 3.77Å; A324-I330 HydrophobicContact CB-CG1 4.19Å; A324-I330 HydrophobicContact CB-CG2 4.02Å
325V90.3Very high87.9Confident0 Ų027.2 Ų27.20%014%0.136CC..  trans-100.8167.5-178.6-59.80000111.7V27 Q31 T33 F242 V279 Y323 G327V27-V325 HydrophobicContact CG1-CG1 4.44Å; V27-V325 HydrophobicContact CG1-CG2 3.43Å; V27-V325 VanDerWaalsContact CG1-CG2 3.43Å; V27-V325 HydrophobicContact CG2-CG1 3.95Å; V27-V325 HydrophobicContact CG2-CG2 4.45Å; Q31-V325 PolarHBondContact NE2-O 3.02Å; T33-V325 HydrophobicContact CG2-CG2 4.44Å; F242-V325 HydrophobicContact CD1-CB 4.15Å; F242-V325 HydrophobicContact CD1-CG1 4.32Å; F242-V325 HydrophobicContact CE1-CB 3.9Å; F242-V325 HydrophobicContact CE1-CG1 4.3Å; F242-V325 HydrophobicContact CE1-CG2 4.46Å; V279-V325 HydrophobicContact CG2-CG1 4.31Å; Y323-V325 HydrophobicContact CD2-CG1 3.96Å; Y323-V325 HydrophobicContact CE2-CG1 3.88Å; V325-G327 PolarHBondContact O-N 3.09Å
326P89.9Confident87.9Confident0 Ų023.8 Ų23.80%012%0.121CC..SBendtrans-53.5133.7171.7-29.741000112.7R240 F242 I275 G278R240-P326 HydrophobicContact CB-CB 3.74Å; R240-P326 HydrophobicContact CB-CG 4.37Å; R240-P326 HydrophobicContact CG-CB 4.13Å; R240-P326 PolarHBondContact NH1-O 2.82Å; F242-P326 HydrophobicContact CD1-CG 4.2Å; F242-P326 HydrophobicContact CE1-CG 4.43Å; I275-P326 HydrophobicContact CG2-CB 4.22Å; I275-P326 HydrophobicContact CG2-CG 3.95Å; I275-P326 CarbonylContact O-C 3.59Å; I275-P326 VanDerWaalsContact O-CA 3.29Å; I275-P326 WeakPolarHBondContact O-CA 3.49Å; G278-P326 WeakPolarHBondContact O-CD 3.45Å; G278-P326 WeakPolarHBondContact O-CG 3.42Å
327G86.4Confident88.2Confident0 Ų028.1 Ų28.10%015%0.145CC..SBendtrans96.7174.9-178.900000116.6Q31 A32 R240 I275 V325Q31-G327 PolarHBondContact NE2-O 3.35Å; A32-G327 CarbonylContact O-C 3.57Å; R240-G327 VanDerWaalsContact NH1-CA 3.28Å; I275-G327 PolarHBondContact O-N 3.16Å; V325-G327 PolarHBondContact O-N 3.09Å
328G85Confident88.4Confident0 Ų026.1 Ų26.10%014%0.136CC..SBendtrans66-174.1-172.300000111.6A32 N35 S274A32-G328 WeakPolarHBondContact O-CA 3.49Å; A32-G328 PolarHBondContact O-N 3.25Å; A32-G328 VanDerWaalsContact O-N 3.16Å; N35-G328 VanDerWaalsContact OD1-C 3.3Å; N35-G328 WeakPolarHBondContact OD1-CA 3.41Å; N35-G328 PolarHBondContact OD1-N 2.97Å; N35-G328 VanDerWaalsContact OD1-N 3.16Å; N35-G328 PolarHBondContact OD1-O 3.09Å; S274-G328 VanDerWaalsContact CB-O 3.28Å; S274-G328 WeakPolarHBondContact CB-O 3.4Å; S274-G328 PolarHBondContact OG-O 3.25Å; S274-G328 VanDerWaalsContact OG-O 3.12Å
329L85.5Confident88.8Confident17 Ų1724.5 Ų24.59%0.08913%0.129CC..  trans-115.6120.5173.8-66.8165.6000109Y75 S123 V125 V143 I251 G273Y75-L329 HydrophobicContact CD1-CD1 2.99Å; Y75-L329 HydrophobicContact CD1-CD2 4.35Å; Y75-L329 HydrophobicContact CD1-CG 4.26Å; Y75-L329 HydrophobicContact CD2-CD1 4.19Å; Y75-L329 HydrophobicContact CE1-CD1 3.54Å; Y75-L329 HydrophobicContact CE1-CD2 4.05Å; Y75-L329 HydrophobicContact CE1-CG 4.46Å; Y75-L329 HydrophobicContact CG-CD1 3.36Å; S123-L329 VanDerWaalsContact OG-CD1 3.23Å; S123-L329 WeakPolarHBondContact OG-CD1 3.18Å; S123-L329 WeakPolarHBondContact OG-CG 3.37Å; V125-L329 HydrophobicContact CG2-CD1 4.28Å; V143-L329 HydrophobicContact CG1-CD2 4.48Å; I251-L329 HydrophobicContact CD1-CD2 3.77Å; G273-L329 WeakPolarHBondContact O-CA 3.4Å
330I90.6Very high88.9Confident3 Ų326.5 Ų26.52%0.01514%0.139CC..EExtended strand (participates in β ladder)trans-117.7131.7-173.7-57.3144.5000108.1G272 G273 I275 L314 F315 A324 V332G272-I330 WeakPolarHBondContact CA-O 3.44Å; G273-I330 PolarHBondContact N-O 3.34Å; G273-I330 PolarHBondContact O-N 2.85Å; I275-I330 HydrophobicContact CB-CD1 4.31Å; I275-I330 HydrophobicContact CD1-CD1 3.45Å; I275-I330 VanDerWaalsContact CD1-CD1 3.45Å; I275-I330 HydrophobicContact CG1-CD1 3.58Å; L314-I330 HydrophobicContact CD2-CG2 4.21Å; F315-I330 CarbonylContact O-C 3.48Å; F315-I330 WeakPolarHBondContact O-CA 3.41Å; A324-I330 HydrophobicContact CB-CD1 3.77Å; A324-I330 HydrophobicContact CB-CG1 4.19Å; A324-I330 HydrophobicContact CB-CG2 4.02Å; I330-V332 HydrophobicContact CG2-CG2 4.11Å
331G90.8Very high88.8Confident12 Ų1222.4 Ų22.412%0.12412%0.117CC..EExtended strand (participates in β ladder)trans-89.2112.5164.200000109.5F315F315-G331 PolarHBondContact N-O 2.81Å; F315-G331 PolarHBondContact O-N 2.9Å
332V93Very high88.7Confident0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-94.6107.8174.5-174.40000108.6L248 V270 A271 L280 I311 L314 I330 T334 L351L248-V332 HydrophobicContact CD1-CG2 3.63Å; V270-V332 WeakPolarHBondContact CA-O 3.33Å; A271-V332 PolarHBondContact N-O 3.45Å; A271-V332 PolarHBondContact O-N 3.09Å; L280-V332 HydrophobicContact CD1-CG2 4.19Å; I311-V332 HydrophobicContact CB-CG1 4.49Å; I311-V332 HydrophobicContact CD1-CG1 4.26Å; I311-V332 HydrophobicContact CG1-CG1 3.83Å; I311-V332 HydrophobicContact CG2-CG1 4.07Å; L314-V332 HydrophobicContact CD2-CB 4.17Å; L314-V332 HydrophobicContact CD2-CG1 3.93Å; L314-V332 HydrophobicContact CD2-CG2 3.77Å; I330-V332 HydrophobicContact CG2-CG2 4.11Å; V332-T334 HydrophobicContact CG1-CG2 3.93Å; V332-L351 HydrophobicContact CG1-CD1 4.32Å
333G92.5Very high88.4Confident5 Ų530.4 Ų30.45%0.05216%0.16CC..EExtended strand (participates in β ladder)trans-73.4121.9169.900000109.6V312 S313V312-G333 PolarHBondContact N-O 2.92Å; S313-G333 PolarHBondContact N-O 3.33Å; S313-G333 PolarHBondContact O-N 2.82Å
334T92.4Very high88Confident2 Ų232.3 Ų32.31%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-119.4163.8-177.367.70000110.7G268 G269 I286 C310 V332 I336G268-T334 CarbonylContact C-O 3.53Å; G268-T334 WeakPolarHBondContact CA-O 3.47Å; G269-T334 PolarHBondContact O-N 3.02Å; G269-T334 PolarHBondContact O-OG1 3.41Å; I286-T334 HydrophobicContact CD1-CG2 3.66Å; C310-T334 WeakPolarHBondContact O-CA 3.31Å; V332-T334 HydrophobicContact CG1-CG2 3.93Å; T334-I336 HydrophobicContact CG2-CD1 4.41Å; T334-I336 PolarHBondContact O-N 3.32Å; T334-I336 WeakPolarHBondContact OG1-CB 3.31Å; T334-I336 WeakPolarHBondContact OG1-CD1 3.35Å; T334-I336 VanDerWaalsContact OG1-CG1 3.3Å; T334-I336 WeakPolarHBondContact OG1-CG1 3.34Å; T334-I336 PolarHBondContact OG1-N 3.32Å
335K91Very high87.9Confident154 Ų15439.6 Ų39.667%0.6720%0.198SC*.SBendtrans-8115.7170.5-64.2-169.2176.1-174.30113.6S309 C310 V312S309-K335 PolarHBondContact OG-N 2.89Å; S309-K335 VanDerWaalsContact OG-N 3.13Å; C310-K335 HydrophobicContact CB-CD 4.4Å; C310-K335 PolarHBondContact O-N 3.18Å; V312-K335 HydrophobicContact CG2-CD 4.44Å; V312-K335 HydrophobicContact CG2-CG 3.48Å; V312-K335 VanDerWaalsContact CG2-CG 3.48Å
336I90.3Very high87.7Confident7 Ų739.9 Ų39.94%0.03620%0.199CC..SBendtrans-72.6146-179.1-60.7175.9000109G268 G269 I288 I307 S309 T334 L340G268-I336 WeakPolarHBondContact CA-O 3.4Å; G269-I336 PolarHBondContact N-O 3.05Å; I288-I336 HydrophobicContact CD1-CD1 3.23Å; I288-I336 HydrophobicContact CG1-CD1 4.19Å; I307-I336 HydrophobicContact CG2-CD1 3.85Å; I307-I336 HydrophobicContact CG2-CG1 3.92Å; I307-I336 HydrophobicContact CG2-CG2 4.4Å; S309-I336 WeakPolarHBondContact OG-CG1 3.41Å; S309-I336 PolarHBondContact OG-N 3.09Å; T334-I336 HydrophobicContact CG2-CD1 4.41Å; T334-I336 PolarHBondContact O-N 3.32Å; T334-I336 WeakPolarHBondContact OG1-CB 3.31Å; T334-I336 WeakPolarHBondContact OG1-CD1 3.35Å; T334-I336 VanDerWaalsContact OG1-CG1 3.3Å; T334-I336 WeakPolarHBondContact OG1-CG1 3.34Å; T334-I336 PolarHBondContact OG1-N 3.32Å; I336-L340 HydrophobicContact CG2-CB 4.03Å; I336-L340 HydrophobicContact CG2-CD1 3.88Å; I336-L340 HydrophobicContact CG2-CG 4.49Å
337D89.7Confident87.5Confident92 Ų9241.1 Ų41.149%0.49221%0.207SC..  trans-52122.3171.9180-8000110.2Q339 L340D337-Q339 PolarHBondContact O-N 2.56Å; D337-Q339 VanDerWaalsContact O-N 3.07Å; D337-Q339 VanDerWaalsContact OD1-CB 3.22Å; D337-Q339 WeakPolarHBondContact OD1-CB 3.48Å; D337-Q339 PolarHBondContact OD1-N 3.41Å; D337-L340 HydrophobicContact CB-CG 4.42Å; D337-L340 WeakPolarHBondContact O-CB 3.31Å; D337-L340 PolarHBondContact O-N 3.05Å
338P86.3Confident87.4Confident9 Ų941.4 Ų41.46%0.05821%0.209CC..Hα-helixtrans-54.9-27.1178.722-33.9000113.5D255 N257 L266 L340 C341 R342D255-P338 HydrophobicContact CB-CB 4.43Å; D255-P338 WeakPolarHBondContact OD1-CB 3.31Å; N257-P338 WeakPolarHBondContact ND2-CB 3.44Å; L266-P338 HydrophobicContact CD1-CG 4.33Å; L266-P338 HydrophobicContact CD2-CG 3.96Å; L266-P338 HydrophobicContact CG-CG 4.25Å; P338-L340 PolarHBondContact O-N 3.29Å; P338-C341 PolarHBondContact O-N 3.08Å; P338-R342 WeakPolarHBondContact O-CG 3.35Å; P338-R342 PolarHBondContact O-N 2.93Å; P338-R342 VanDerWaalsContact O-N 3.14Å
339Q87.1Confident87.7Confident92 Ų9242.3 Ų42.343%0.4321%0.213SC..Hα-helixtrans-57.3-32.7175.2-173.386.9-21.400112.7D337 R342 R345D337-Q339 PolarHBondContact O-N 2.56Å; D337-Q339 VanDerWaalsContact O-N 3.07Å; D337-Q339 VanDerWaalsContact OD1-CB 3.22Å; D337-Q339 WeakPolarHBondContact OD1-CB 3.48Å; D337-Q339 PolarHBondContact OD1-N 3.41Å; Q339-R342 VanDerWaalsContact OE1-NH1 3.14Å; Q339-R345 PolarHBondContact O-NH1 3.15Å
340L86.6Confident88Confident43 Ų4342.2 Ų42.223%0.22521%0.214CC..Hα-helixtrans-77.6-24.8178-63179000112.4L292 I307 I336 D337 P338 R345L292-L340 HydrophobicContact CD2-CD1 4.23Å; L292-L340 HydrophobicContact CD2-CD2 3.73Å; I307-L340 HydrophobicContact CD1-CD1 3.97Å; I336-L340 HydrophobicContact CG2-CB 4.03Å; I336-L340 HydrophobicContact CG2-CD1 3.88Å; I336-L340 HydrophobicContact CG2-CG 4.49Å; D337-L340 HydrophobicContact CB-CG 4.42Å; D337-L340 WeakPolarHBondContact O-CB 3.31Å; D337-L340 PolarHBondContact O-N 3.05Å; P338-L340 PolarHBondContact O-N 3.29Å; L340-R345 VanDerWaalsContact O-CB 3.28Å; L340-R345 WeakPolarHBondContact O-CB 3.49Å
341C85Confident88.1Confident0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-89.1-10.2177.2-65.40000113.4S253 F254 G269 P338 L346S253-C341 CarbonylContact C-O 3.52Å; S253-C341 WeakPolarHBondContact CB-O 3.46Å; S253-C341 PolarHBondContact OG-O 3.08Å; F254-C341 PolarHBondContact N-O 3.25Å; G269-C341 WeakPolarHBondContact CA-SG 3.35Å; P338-C341 PolarHBondContact O-N 3.08Å; C341-L346 WeakPolarHBondContact SG-CD1 3.32Å
342R84.6Confident88.2Confident115 Ų11541.5 Ų41.543%0.43421%0.207SC..G310 helixtrans-66.3145.3178-77.3178.2-178.2172.4-3111.7D255 P338 Q339 D344 R345D255-R342 HydrophobicContact CB-CG 3.89Å; D255-R342 IonicContact OD2-CZ 3.25Å; D255-R342 IonicContact OD2-NE 2.91Å; D255-R342 PolarHBondContact OD2-NE 2.89Å; D255-R342 IonicContact OD2-NH2 2.92Å; D255-R342 PolarHBondContact OD2-NH2 3.29Å; P338-R342 WeakPolarHBondContact O-CG 3.35Å; P338-R342 PolarHBondContact O-N 2.93Å; P338-R342 VanDerWaalsContact O-N 3.14Å; Q339-R342 VanDerWaalsContact OE1-NH1 3.14Å; R342-D344 VanDerWaalsContact C-N 3.27Å; R342-D344 PolarHBondContact O-N 3.01Å; R342-R345 WeakPolarHBondContact O-CG 3.42Å; R342-R345 PolarHBondContact O-N 3.21Å
343A80.2Confident88.1Confident87 Ų8745.5 Ų45.572%0.71923%0.226SC*.G310 helixtrans54.337.1174.100000114.6R345A343-R345 PolarHBondContact O-N 2.85Å
344D81.8Confident88Confident40 Ų4048.2 Ų48.221%0.21424%0.241CC..G310 helixtrans61.925.9174.9-69.2-49.7000114.4K72 S253 R342 L346 V347K72-D344 WeakPolarHBondContact CE-OD2 3.5Å; K72-D344 IonicContact NZ-OD2 3.32Å; K72-D344 PolarHBondContact NZ-OD2 3.45Å; S253-D344 PolarHBondContact N-OD1 2.99Å; S253-D344 VanDerWaalsContact OG-CA 3.28Å; S253-D344 WeakPolarHBondContact OG-CA 3.23Å; R342-D344 VanDerWaalsContact C-N 3.27Å; R342-D344 PolarHBondContact O-N 3.01Å; D344-L346 VanDerWaalsContact C-N 3.28Å; D344-L346 PolarHBondContact O-N 2.75Å; D344-V347 HydrophobicContact CB-CB 4.44Å; D344-V347 HydrophobicContact CB-CG2 3.55Å; D344-V347 WeakPolarHBondContact O-CB 3.44Å; D344-V347 VanDerWaalsContact O-CG2 3.31Å; D344-V347 WeakPolarHBondContact O-CG2 3.3Å; D344-V347 PolarHBondContact O-N 2.78Å; D344-V347 VanDerWaalsContact O-N 3.08Å
345R85.8Confident87.6Confident154 Ų15450.8 Ų50.858%0.58127%0.268SS*.THydrogen-bonded Turntrans-64-25-178.5-80.2176.1-178.9179.7-1.9115.1S253 Q339 L340 R342 A343S253-R345 PolarHBondContact OG-N 2.96Å; Q339-R345 PolarHBondContact O-NH1 3.15Å; L340-R345 VanDerWaalsContact O-CB 3.28Å; L340-R345 WeakPolarHBondContact O-CB 3.49Å; R342-R345 WeakPolarHBondContact O-CG 3.42Å; R342-R345 PolarHBondContact O-N 3.21Å; A343-R345 PolarHBondContact O-N 2.85Å
346L86.1Confident87.5Confident5 Ų545.5 Ų45.53%0.02625%0.248CC..THydrogen-bonded Turntrans-91.24.9175.4-63179.8000113.3V250 S253 I288 I307 C341 D344 G348 H349V250-L346 WeakPolarHBondContact CB-O 3.18Å; V250-L346 HydrophobicContact CG1-CB 4.31Å; V250-L346 WeakPolarHBondContact CG1-O 3.48Å; S253-L346 PolarHBondContact OG-N 2.98Å; I288-L346 HydrophobicContact CD1-CD1 4.32Å; I307-L346 HydrophobicContact CD1-CD2 4.27Å; C341-L346 WeakPolarHBondContact SG-CD1 3.32Å; D344-L346 VanDerWaalsContact C-N 3.28Å; D344-L346 PolarHBondContact O-N 2.75Å; L346-G348 PolarHBondContact O-N 3Å; L346-H349 WeakPolarHBondContact O-CB 3.49Å; L346-H349 PolarHBondContact O-N 2.96Å; L346-H349 PolarHBondContact O-ND1 2.85Å
347V86.1Confident87.3Confident27 Ų2745.7 Ų45.716%0.16425%0.249CC..THydrogen-bonded Turntrans-67.4133.21791750000110.3I251 D344 H349 L404I251-V347 WeakPolarHBondContact O-CG1 3.29Å; I251-V347 VanDerWaalsContact O-CG2 3.28Å; I251-V347 WeakPolarHBondContact O-CG2 3.41Å; D344-V347 HydrophobicContact CB-CB 4.44Å; D344-V347 HydrophobicContact CB-CG2 3.55Å; D344-V347 WeakPolarHBondContact O-CB 3.44Å; D344-V347 VanDerWaalsContact O-CG2 3.31Å; D344-V347 WeakPolarHBondContact O-CG2 3.3Å; D344-V347 PolarHBondContact O-N 2.78Å; D344-V347 VanDerWaalsContact O-N 3.08Å; V347-H349 VanDerWaalsContact C-N 3.29Å; V347-L404 WeakPolarHBondContact O-CD1 3.21Å
348G85.5Confident87.2Confident5 Ų542 Ų425%0.05223%0.23CC..THydrogen-bonded Turntrans87.6-6.2-176.100000114.3V250 L346 S403V250-G348 PolarHBondContact O-N 3.38Å; L346-G348 PolarHBondContact O-N 3Å; G348-S403 WeakPolarHBondContact CA-OG 3.44Å
349H91Very high87.3Confident19 Ų1947 Ų479%0.08825%0.253CS..  trans-74.3151.7168.2-66.459.3000110.8V250 I288 R289 G291 L346 V347V250-H349 WeakPolarHBondContact CB-O 3.47Å; V250-H349 WeakPolarHBondContact CG2-O 3.45Å; V250-H349 PolarHBondContact N-O 3.42Å; I288-H349 HydrophobicContact CG2-CB 3.53Å; R289-H349 CarbonylContact O-C 3.39Å; R289-H349 VanDerWaalsContact O-CA 3.3Å; R289-H349 WeakPolarHBondContact O-CA 3.36Å; R289-H349 WeakPolarHBondContact O-CB 3.33Å; G291-H349 PolarHBondContact N-CD2 2.65Å; G291-H349 PolarHBondContact N-NE2 2.76Å; G291-H349 PolarHBondContact O-NE2 3.27Å; L346-H349 WeakPolarHBondContact O-CB 3.49Å; L346-H349 PolarHBondContact O-N 2.96Å; L346-H349 PolarHBondContact O-ND1 2.85Å; V347-H349 VanDerWaalsContact C-N 3.29Å
350V91.7Very high87.4Confident16 Ų1642.7 Ų42.710%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-104.5123.8174.5-170.70000108I288 R289 L357 C427I288-V350 WeakPolarHBondContact CA-O 3.33Å; R289-V350 PolarHBondContact N-O 3.45Å; R289-V350 PolarHBondContact O-N 3.44Å; V350-L357 HydrophobicContact CB-CD2 4.2Å; V350-L357 HydrophobicContact CG1-CD2 3.58Å; V350-C427 HydrophobicContact CG2-CB 4.12Å
351L93.2Very high87.6Confident0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-100.9131.5174.8-177.6163.1000108.4L248 V250 A271 L280 I286 E287 I288 V332L248-L351 HydrophobicContact CB-CB 4.26Å; L248-L351 HydrophobicContact CB-CD2 4.33Å; L248-L351 HydrophobicContact CD2-CB 3.99Å; L248-L351 HydrophobicContact CD2-CD1 4.45Å; L248-L351 PolarHBondContact N-O 3.31Å; L248-L351 PolarHBondContact O-N 3.17Å; V250-L351 HydrophobicContact CG2-CB 4.28Å; A271-L351 HydrophobicContact CB-CD1 4.17Å; L280-L351 HydrophobicContact CD1-CD2 4.05Å; L280-L351 HydrophobicContact CD2-CD2 4.3Å; I286-L351 HydrophobicContact CB-CD2 4.1Å; I286-L351 HydrophobicContact CB-CG 4.44Å; I286-L351 HydrophobicContact CD1-CD1 3.67Å; I286-L351 HydrophobicContact CD1-CD2 3.96Å; I286-L351 HydrophobicContact CD1-CG 3.86Å; I286-L351 HydrophobicContact CG2-CD2 3.96Å; E287-L351 WeakPolarHBondContact O-CA 3.25Å; I288-L351 HydrophobicContact CD1-CD1 4.06Å; I288-L351 HydrophobicContact CD1-CG 4.45Å; I288-L351 HydrophobicContact CG1-CB 4.21Å; I288-L351 HydrophobicContact CG1-CD1 4.23Å; I288-L351 HydrophobicContact CG1-CG 4.07Å; V332-L351 HydrophobicContact CG1-CD1 4.32Å
352G92.4Very high87.9Confident0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-163.8-170.9178.500000113.1P246 I286 E287P246-G352 WeakPolarHBondContact O-CA 3.35Å; I286-G352 CarbonylContact C-O 3.54Å; I286-G352 VanDerWaalsContact CA-O 3.3Å; I286-G352 WeakPolarHBondContact CA-O 3.33Å; E287-G352 PolarHBondContact N-O 2.76Å; E287-G352 PolarHBondContact O-N 2.77Å
353Q91.7Very high88.2Confident83 Ų8339.4 Ų39.439%0.38822%0.222SC..EExtended strand (participates in β ladder)trans-67.9138.6174.6-179.2175.88.100110.5P246 G355 T356P246-Q353 HydrophobicContact CG-CB 4Å; P246-Q353 PolarHBondContact O-N 2.84Å; Q353-G355 PolarHBondContact O-N 3.42Å; Q353-T356 HydrophobicContact CB-CG2 4.08Å; Q353-T356 HydrophobicContact CG-CG2 4.09Å; Q353-T356 PolarHBondContact O-N 2.77Å; Q353-T356 VanDerWaalsContact O-N 3.07Å; Q353-T356 PolarHBondContact O-OG1 2.92Å
354V88.7Confident88.8Confident63 Ų6335.4 Ų35.438%0.38219%0.189SC..THydrogen-bonded Turntrans-51.6127.8-178.9-173.20000110.9K285 E287 I308 T356K285-V354 HydrophobicContact CB-CG2 4.28Å; E287-V354 HydrophobicContact CB-CB 4.4Å; E287-V354 HydrophobicContact CB-CG2 4.18Å; E287-V354 WeakPolarHBondContact OE2-CA 3.46Å; I308-V354 HydrophobicContact CG2-CG2 4.45Å; V354-T356 VanDerWaalsContact C-N 3.28Å; V354-T356 PolarHBondContact O-N 2.89Å
355G85.6Confident89.4Confident55 Ų5536.5 Ų36.557%0.56719%0.193SC*.THydrogen-bonded Turntrans81.2-9177.800000115.9E287 Q353E287-G355 PolarHBondContact OE2-N 2.95Å; Q353-G355 PolarHBondContact O-N 3.42Å
356T87.1Confident89.8Confident43 Ų4329.2 Ų29.226%0.26417%0.165SC..  trans-97.4-5-176.669.90000114.2A245 R247 Q353 V354A245-T356 HydrophobicContact CB-CG2 3.88Å; R247-T356 PolarHBondContact NH2-O 3.17Å; Q353-T356 HydrophobicContact CB-CG2 4.08Å; Q353-T356 HydrophobicContact CG-CG2 4.09Å; Q353-T356 PolarHBondContact O-N 2.77Å; Q353-T356 VanDerWaalsContact O-N 3.07Å; Q353-T356 PolarHBondContact O-OG1 2.92Å; V354-T356 VanDerWaalsContact C-N 3.28Å; V354-T356 PolarHBondContact O-N 2.89Å
357L87.4Confident90.1Very high11 Ų1130.7 Ų30.76%0.05818%0.176CC..SBendtrans-73.6153.2-176.6-72.5177.4000112.2E287 R289 V350E287-L357 HydrophobicContact CB-CD1 3.98Å; E287-L357 HydrophobicContact CG-CD1 4.01Å; E287-L357 WeakPolarHBondContact O-CD1 3.43Å; R289-L357 HydrophobicContact CB-CD1 3.97Å; R289-L357 HydrophobicContact CG-CB 4.25Å; R289-L357 HydrophobicContact CG-CD1 3.72Å; R289-L357 PolarHBondContact NH1-O 3.36Å; V350-L357 HydrophobicContact CB-CD2 4.2Å; V350-L357 HydrophobicContact CG1-CD2 3.58Å
358P87.5Confident90.4Very high14 Ų1430.4 Ų30.49%0.09117%0.172CC..PPolyproline II helixtrans-58.3168.9176.1-18.328.4000114R289 C427 T428 Q429R289-P358 PolarHBondContact NH1-O 2.85Å; P358-C427 PolarHBondContact O-SG 2.81Å; P358-C427 VanDerWaalsContact O-SG 3.38Å; P358-T428 VanDerWaalsContact CB-O 3.27Å; P358-T428 WeakPolarHBondContact CB-O 3.47Å; P358-Q429 HydrophobicContact CB-CG 3.96Å; P358-Q429 HydrophobicContact CG-CG 3.83Å
359E88.8Confident90.6Very high115 Ų11535.3 Ų35.354%0.53719%0.193SC..PPolyproline II helixtrans-71.5159.1172-64-176.4-160.100111.4Y361 T428 T457E359-Y361 HydrophobicContact CB-CE2 4.18Å; E359-T428 PolarHBondContact O-N 3.19Å; E359-T457 HydrophobicContact CB-CG2 3.88Å; E359-T457 WeakPolarHBondContact OE2-CB 3.42Å; E359-T457 VanDerWaalsContact OE2-CG2 3.25Å; E359-T457 WeakPolarHBondContact OE2-CG2 3.33Å; E359-T457 PolarHBondContact OE2-OG1 3.1Å; E359-T457 VanDerWaalsContact OE2-OG1 3.12Å
360I89.5Confident90.5Very high1 Ų136.1 Ų36.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-102.4120.6-179.2-59.2170.3000108P290 C304 P425 V426 T457 I458 P460P290-I360 HydrophobicContact CB-CD1 4.03Å; P290-I360 HydrophobicContact CB-CG1 4.31Å; P290-I360 HydrophobicContact CB-CG2 4.1Å; C304-I360 HydrophobicContact CB-CD1 3.83Å; I360-P425 HydrophobicContact CG2-CB 3.59Å; I360-P425 HydrophobicContact CG2-CG 4.49Å; I360-V426 CarbonylContact C-O 3.57Å; I360-V426 WeakPolarHBondContact CA-O 3.11Å; I360-T457 CarbonylContact O-C 3.55Å; I360-T457 WeakPolarHBondContact O-CA 2.82Å; I360-T457 WeakPolarHBondContact O-CB 3.44Å; I360-I458 PolarHBondContact O-N 3.26Å; I360-P460 HydrophobicContact CD1-CB 4.33Å
361Y90.3Very high90.2Very high20 Ų2036.6 Ų36.68%0.07820%0.199CC..EExtended strand (participates in β ladder)trans-102.2138.2-178.4-67.5-92.8000111.8E359 L364 P425 V426 T428 V456 T457E359-Y361 HydrophobicContact CB-CE2 4.18Å; Y361-L364 HydrophobicContact CD1-CD2 3.84Å; Y361-L364 HydrophobicContact CG-CD2 3.72Å; Y361-P425 WeakPolarHBondContact O-CA 3.28Å; Y361-V426 PolarHBondContact N-O 3.44Å; Y361-V426 PolarHBondContact O-N 3.42Å; Y361-T428 HydrophobicContact CD2-CG2 3.51Å; Y361-T428 HydrophobicContact CE2-CG2 4.13Å; Y361-T428 VanDerWaalsContact CE2-O 3.31Å; Y361-T428 WeakPolarHBondContact CE2-O 3.48Å; Y361-T428 HydrophobicContact CG-CG2 4.18Å; Y361-V456 WeakPolarHBondContact CA-O 3.05Å; Y361-T457 HydrophobicContact CD1-CG2 3.37Å; Y361-T457 HydrophobicContact CD2-CG2 4.18Å; Y361-T457 HydrophobicContact CE1-CG2 3.19Å; Y361-T457 HydrophobicContact CE2-CG2 4.03Å; Y361-T457 HydrophobicContact CG-CG2 3.89Å
362V90.1Very high89.5Confident24 Ų2447.4 Ų47.415%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-106.7-39.3171.6-178.30000111.3L422 P425 V456 I458V362-L422 WeakPolarHBondContact O-CB 3.5Å; V362-L422 PolarHBondContact O-N 2.92Å; V362-P425 HydrophobicContact CG2-CB 4.47Å; V362-V456 PolarHBondContact N-O 3.39Å; V362-I458 HydrophobicContact CB-CD1 4.48Å; V362-I458 HydrophobicContact CG2-CD1 3.08Å; V362-I458 HydrophobicContact CG2-CG1 3.51Å
363E92Very high88.8Confident46 Ų4653.6 Ų53.622%0.21526%0.263CS..EExtended strand (participates in β ladder)trans-118.4135.1175.6-55.9-168.2159.400108.6I420 R421 G455 V456E363-I420 CarbonylContact C-O 3.5Å; E363-I420 WeakPolarHBondContact CA-O 3.41Å; E363-R421 HydrophobicContact CG-CB 4.29Å; E363-R421 HydrophobicContact CG-CG 4.23Å; E363-R421 IonicContact OE1-CZ 3.29Å; E363-R421 VanDerWaalsContact OE1-CZ 3.29Å; E363-R421 IonicContact OE1-NE 2.84Å; E363-R421 PolarHBondContact OE1-NE 3.41Å; E363-R421 IonicContact OE1-NH2 2.84Å; E363-R421 PolarHBondContact OE1-NH2 3.31Å; E363-G455 CarbonylContact O-C 3.56Å; E363-G455 WeakPolarHBondContact O-CA 3.08Å; E363-V456 HydrophobicContact CB-CB 4.02Å; E363-V456 HydrophobicContact CB-CG2 4.02Å; E363-V456 HydrophobicContact CG-CB 4.42Å; E363-V456 HydrophobicContact CG-CG2 4.47Å; E363-V456 PolarHBondContact O-N 3.36Å
364L92.8Very high88Confident2 Ų250.6 Ų50.61%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-117.8133.5178.1-64.6177.8000110Y361 I366 I401 K419 I420 L422 T428 I452Y361-L364 HydrophobicContact CD1-CD2 3.84Å; Y361-L364 HydrophobicContact CG-CD2 3.72Å; L364-I366 HydrophobicContact CB-CG2 3.91Å; L364-I401 HydrophobicContact CD1-CD1 3.36Å; L364-K419 CarbonylContact O-C 3.58Å; L364-K419 WeakPolarHBondContact O-CA 3.32Å; L364-I420 PolarHBondContact N-O 3.42Å; L364-I420 PolarHBondContact O-N 3.48Å; L364-L422 HydrophobicContact CD1-CD1 3.69Å; L364-L422 HydrophobicContact CD1-CD2 4.36Å; L364-L422 HydrophobicContact CD1-CG 4.37Å; L364-L422 HydrophobicContact CG-CD1 3.96Å; L364-L422 HydrophobicContact CG-CG 4.49Å; L364-T428 HydrophobicContact CD2-CG2 4.42Å; L364-I452 HydrophobicContact CD1-CD1 3.95Å; L364-I452 HydrophobicContact CD1-CG1 4.27Å; L364-I452 HydrophobicContact CD2-CD1 4.18Å; L364-I452 HydrophobicContact CD2-CG1 4.49Å; L364-I452 HydrophobicContact CD2-CG2 3.95Å
365E93.6Very high87.2Confident64 Ų6449.6 Ų49.630%0.29924%0.242SC..EExtended strand (participates in β ladder)trans-97.2114.5162.6-55.5-165.9161.900108.4A418 K419 R453 R454E365-A418 WeakPolarHBondContact CA-O 3.4Å; E365-K419 HydrophobicContact CG-CD 4.05Å; E365-K419 HydrophobicContact CG-CG 4.01Å; E365-K419 WeakPolarHBondContact OE1-CD 3.35Å; E365-K419 WeakPolarHBondContact OE1-CE 3.45Å; E365-K419 IonicContact OE1-NZ 2.83Å; E365-K419 PolarHBondContact OE1-NZ 3.31Å; E365-R453 PolarHBondContact O-N 3.2Å; E365-R454 WeakPolarHBondContact CA-O 3.41Å; E365-R454 HydrophobicContact CB-CB 4.26Å; E365-R454 WeakPolarHBondContact CB-O 3.4Å; E365-R454 HydrophobicContact CG-CB 4.47Å; E365-R454 PolarHBondContact N-O 3.49Å; E365-R454 PolarHBondContact O-N 3.03Å
366I94Very high86.3Confident1 Ų147.7 Ų47.71%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-117.2141.7-172.862.7159.9000110L364 F368 L417 A418 I420 I434 L436 E451 I452L364-I366 HydrophobicContact CB-CG2 3.91Å; I366-F368 HydrophobicContact CD1-CB 4.15Å; I366-L417 CarbonylContact O-C 3.57Å; I366-L417 VanDerWaalsContact O-CA 3.31Å; I366-L417 WeakPolarHBondContact O-CA 3.35Å; I366-A418 HydrophobicContact CD1-CB 4.35Å; I366-A418 HydrophobicContact CG1-CB 3.98Å; I366-A418 WeakPolarHBondContact CG1-O 3.46Å; I366-A418 PolarHBondContact N-O 3.26Å; I366-A418 PolarHBondContact O-N 3.03Å; I366-I420 HydrophobicContact CD1-CD1 3.46Å; I366-I420 VanDerWaalsContact CD1-CD1 3.46Å; I366-I420 HydrophobicContact CD1-CG1 4.24Å; I366-I420 HydrophobicContact CG1-CD1 4.16Å; I366-I420 HydrophobicContact CG1-CG1 4.44Å; I366-I434 HydrophobicContact CB-CD1 3.82Å; I366-I434 HydrophobicContact CD1-CD1 3.47Å; I366-I434 VanDerWaalsContact CD1-CD1 3.47Å; I366-I434 HydrophobicContact CG1-CD1 4.2Å; I366-I434 HydrophobicContact CG2-CD1 3.39Å; I366-L436 HydrophobicContact CD1-CD1 3.98Å; I366-L436 HydrophobicContact CD1-CD2 4Å; I366-L436 HydrophobicContact CD1-CG 4.49Å; I366-E451 CarbonylContact C-O 3.58Å; I366-E451 VanDerWaalsContact CA-O 3.31Å; I366-E451 WeakPolarHBondContact CA-O 3.27Å; I366-I452 HydrophobicContact CG2-CG1 4.26Å
367S92.8Very high85.2Confident36 Ų3647.6 Ų47.625%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-89.8114.5163.3-177.10000107.6D416 G450 E451S367-D416 CarbonylContact C-O 3.45Å; S367-D416 WeakPolarHBondContact CA-O 3.49Å; S367-G450 CarbonylContact O-C 3.5Å; S367-G450 WeakPolarHBondContact O-CA 3.49Å; S367-E451 PolarHBondContact N-O 3.04Å; S367-E451 PolarHBondContact O-N 3.01Å
368F91.9Very high83.7Confident20 Ų2055.6 Ų55.69%0.08825%0.251CS..EExtended strand (participates in β ladder)trans-113.3151.1-173.970.5-87000112.2I366 L370 L391 V413 G415 D416 A418 L436 W449I366-F368 HydrophobicContact CD1-CB 4.15Å; F368-L370 HydrophobicContact CD2-CD1 4.46Å; F368-L370 HydrophobicContact CD2-CD2 4.12Å; F368-L370 HydrophobicContact CD2-CG 3.85Å; F368-L370 HydrophobicContact CE2-CD1 4Å; F368-L370 HydrophobicContact CE2-CD2 4.44Å; F368-L370 HydrophobicContact CE2-CG 3.87Å; F368-L391 HydrophobicContact CD1-CD1 4.14Å; F368-L391 HydrophobicContact CD2-CD1 3.93Å; F368-L391 HydrophobicContact CE1-CD1 4.05Å; F368-L391 HydrophobicContact CE2-CD1 3.83Å; F368-L391 HydrophobicContact CE2-CG 4.18Å; F368-L391 HydrophobicContact CG-CD1 4.09Å; F368-L391 HydrophobicContact CZ-CD1 3.9Å; F368-L391 HydrophobicContact CZ-CG 4.4Å; F368-V413 HydrophobicContact CE1-CG1 4.08Å; F368-V413 HydrophobicContact CZ-CG1 3.95Å; F368-G415 WeakPolarHBondContact CZ-O 3.48Å; F368-D416 WeakPolarHBondContact CD1-O 3.21Å; F368-D416 VanDerWaalsContact CE1-C 3.47Å; F368-D416 WeakPolarHBondContact CE1-O 3.03Å; F368-D416 PolarHBondContact N-O 3.37Å; F368-A418 HydrophobicContact CD1-CB 3.6Å; F368-A418 HydrophobicContact CE1-CB 3.66Å; F368-L436 HydrophobicContact CB-CD1 3.84Å; F368-W449 CarbonylContact C-O 3.55Å; F368-W449 VanDerWaalsContact CA-O 3.26Å; F368-W449 WeakPolarHBondContact CA-O 3.34Å
369F90.6Very high81.9Confident108 Ų10857.9 Ų57.947%0.47427%0.265SS..EExtended strand (participates in β ladder)trans-125.9124.8170-178.3-85.9000108.6G448 W449F369-G448 CarbonylContact O-C 3.56Å; F369-G448 WeakPolarHBondContact O-CA 3.25Å; F369-W449 HydrophobicContact CB-CD2 4.25Å; F369-W449 HydrophobicContact CB-CZ2 4.06Å; F369-W449 HydrophobicContact CD1-CD2 4.21Å; F369-W449 AromaticContact CD1-CE2 3.91Å; F369-W449 AromaticContact CD1-CE3 3.93Å; F369-W449 HydrophobicContact CD1-CE3 3.93Å; F369-W449 AromaticContact CD1-CH2 3.08Å; F369-W449 HydrophobicContact CD1-CH2 3.08Å; F369-W449 AromaticContact CD1-CZ2 3.35Å; F369-W449 HydrophobicContact CD1-CZ2 3.35Å; F369-W449 AromaticContact CD1-CZ3 3.39Å; F369-W449 HydrophobicContact CD1-CZ3 3.39Å; F369-W449 AromaticContact CE1-CH2 3.31Å; F369-W449 HydrophobicContact CE1-CH2 3.31Å; F369-W449 AromaticContact CE1-CZ2 3.91Å; F369-W449 HydrophobicContact CE1-CZ2 3.91Å; F369-W449 AromaticContact CE1-CZ3 3.78Å; F369-W449 HydrophobicContact CE1-CZ3 3.78Å; F369-W449 HydrophobicContact CG-CH2 4.02Å; F369-W449 AromaticContact CG-CZ2 3.82Å; F369-W449 HydrophobicContact CG-CZ2 3.82Å; F369-W449 HydrophobicContact CG-CZ3 4.49Å; F369-W449 HydrophobicContact CZ-CH2 4.4Å; F369-W449 PolarHBondContact N-O 3.37Å; F369-W449 PolarHBondContact O-N 3.08Å
370L88.6Confident79.6Confident36 Ų3662.1 Ų62.119%0.18829%0.285CS..EExtended strand (participates in β ladder)trans-92.2139.3177.6-64.4176.5000110.8F368 V388 L391 I447F368-L370 HydrophobicContact CD2-CD1 4.46Å; F368-L370 HydrophobicContact CD2-CD2 4.12Å; F368-L370 HydrophobicContact CD2-CG 3.85Å; F368-L370 HydrophobicContact CE2-CD1 4Å; F368-L370 HydrophobicContact CE2-CD2 4.44Å; F368-L370 HydrophobicContact CE2-CG 3.87Å; L370-V388 HydrophobicContact CB-CG1 4.35Å; L370-V388 HydrophobicContact CD1-CG1 4.46Å; L370-V388 HydrophobicContact CD2-CG1 4.42Å; L370-L391 HydrophobicContact CD1-CG 4.4Å; L370-L391 HydrophobicContact CD2-CD2 4.31Å; L370-L391 HydrophobicContact CD2-CG 4.43Å; L370-I447 HydrophobicContact CD2-CB 4.48Å; L370-I447 HydrophobicContact CD2-CD1 4.07Å; L370-I447 HydrophobicContact CD2-CG1 4.4Å
371L85.1Confident77.3Confident26 Ų2664.7 Ų64.714%0.13631%0.311CS..  trans-62.4145.5169.9-68.8167.2000109.8R373 L375 V388 L446 I447 W449L371-R373 VanDerWaalsContact C-N 3.27Å; L371-R373 PolarHBondContact O-N 2.9Å; L371-L375 HydrophobicContact CD1-CD1 3.98Å; L371-V388 HydrophobicContact CB-CG2 4.31Å; L371-V388 WeakPolarHBondContact O-CB 3.36Å; L371-V388 WeakPolarHBondContact O-CG2 3.37Å; L371-L446 HydrophobicContact CD1-CD2 4.38Å; L371-L446 HydrophobicContact CD1-CG 4.19Å; L371-I447 WeakPolarHBondContact CB-O 3.19Å; L371-I447 PolarHBondContact N-O 2.91Å; L371-W449 HydrophobicContact CD2-CE3 4.47Å; L371-W449 HydrophobicContact CD2-CZ3 3.73Å; L371-W449 HydrophobicContact CG-CZ3 4.31Å
372R79.2Confident75.1Confident227 Ų22771.6 Ų71.686%0.85735%0.35SS*.SBendtrans-67.2-29.3179.1-67.3-177.5177.8-176.8-0.3112.8
373R77.9Confident73.1Confident130 Ų13078.3 Ų78.349%0.49138%0.38SS..BIsolated β-bridgetrans-140.7147-174.5-64.1180-177.6160.10.9109.5L371 L375L371-R373 VanDerWaalsContact C-N 3.27Å; L371-R373 PolarHBondContact O-N 2.9Å; R373-L375 PolarHBondContact O-N 3.35Å
374L73.9Confident71.2Confident20 Ų2083.5 Ų83.511%0.10540%0.402CS..  trans-67126.9169.3-72.1170.8000108.8V377 A386 V388 V440 I447L374-V377 HydrophobicContact CB-CG2 4.21Å; L374-A386 WeakPolarHBondContact CB-O 3.42Å; L374-A386 HydrophobicContact CD1-CB 3.98Å; L374-A386 PolarHBondContact N-O 2.82Å; L374-V388 HydrophobicContact CD2-CG2 3.92Å; L374-V388 HydrophobicContact CG-CG2 3.96Å; L374-V440 HydrophobicContact CD1-CG2 4.48Å; L374-I447 HydrophobicContact CD2-CG2 3.92Å
375L72.5Confident69.5Low43 Ų4384.4 Ų84.423%0.22541%0.411CS..SBendtrans-88153.4172.5-60171.1000108.7E164 A167 L371 R373 V377E164-L375 HydrophobicContact CB-CB 4.21Å; E164-L375 HydrophobicContact CG-CB 4.36Å; A167-L375 HydrophobicContact CB-CD1 3.18Å; L371-L375 HydrophobicContact CD1-CD1 3.98Å; R373-L375 PolarHBondContact O-N 3.35Å; L375-V377 PolarHBondContact O-N 3.22Å
376G66.8Low68.3Low14 Ų1483.6 Ų83.614%0.14442%0.416CS..SBendtrans85.3-11175.600000117
377V64.6Low67.5Low42 Ų4292 Ų9226%0.25545%0.452SS..  trans-83.1119.9176.4-173.70000109.9L374 L375 T379L374-V377 HydrophobicContact CB-CG2 4.21Å; L375-V377 PolarHBondContact O-N 3.22Å; V377-T379 PolarHBondContact O-N 3.25Å
378R56.2Low67Low178 Ų17891.3 Ų91.367%0.67245%0.446SS*.  trans-74.797.3165.2-70.2-177.1177.1179.4-1.6107.6P160P160-R378 HydrophobicContact CG-CG 3.78Å
379T48.6Very low66.6Low62 Ų6297.6 Ų97.638%0.3848%0.476SS..  trans-76.1122.9160.327.60000107.6V377 G381 Q383V377-T379 PolarHBondContact O-N 3.25Å; T379-G381 PolarHBondContact O-N 3.32Å; T379-Q383 WeakPolarHBondContact CB-O 3.27Å; T379-Q383 PolarHBondContact OG1-O 2.94Å
380E39.6Very low66.4Low204 Ų204101.2 Ų101.295%0.95349%0.491SS*.SBendtrans-62.9118164.6-73.2-175.8157.200107.7
381G41.6Very low66.3Low55 Ų55100.3 Ų100.357%0.56749%0.486SS*.SBendtrans94.5150.5-174.300000113.6T379 Q383T379-G381 PolarHBondContact O-N 3.32Å; G381-Q383 PolarHBondContact O-N 2.88Å
382D45.7Very low66.4Low165 Ų165102 Ų10288%0.88250%0.501SS*.SBendtrans-56.19.3-176-102.3-28.7000116.4K384D382-K384 VanDerWaalsContact C-N 3.28Å; D382-K384 PolarHBondContact O-N 3.4Å
383Q46.8Very low66.9Low166 Ų16698.3 Ų98.378%0.77649%0.491SS*.  trans-7285.2170-65.4-142.91.100110.2T379 G381 G385T379-Q383 WeakPolarHBondContact CB-O 3.27Å; T379-Q383 PolarHBondContact OG1-O 2.94Å; G381-Q383 PolarHBondContact O-N 2.88Å; Q383-G385 PolarHBondContact O-N 2.84Å
384K52Low67.3Low155 Ų15598.2 Ų98.267%0.67450%0.5SS*.  trans-46.994.1173.5-66.5175.7179.5174.30112.7D382D382-K384 VanDerWaalsContact C-N 3.28Å; D382-K384 PolarHBondContact O-N 3.4Å
385G56.6Low68.1Low20 Ų2098.7 Ų98.721%0.20650%0.502CS..  trans61.5132.2160.600000117.4Q383 K387Q383-G385 PolarHBondContact O-N 2.84Å; G385-K387 PolarHBondContact O-N 2.98Å
386A69.3Low68.9Low48 Ų48100.7 Ų100.740%0.39752%0.516SS..PPolyproline II helixtrans-57.6137.4169.500000111.3L374L374-A386 WeakPolarHBondContact CB-O 3.42Å; L374-A386 HydrophobicContact CD1-CB 3.98Å; L374-A386 PolarHBondContact N-O 2.82Å
387K78.1Confident70.1Confident177 Ų177100 Ų10077%0.7751%0.509SS*.BIsolated β-bridgetrans-67.2139177.9-71.8-178.7179.9175.40110.4G385 Q389G385-K387 PolarHBondContact O-N 2.98Å; K387-Q389 PolarHBondContact O-N 3.13Å
388V81Confident71.4Confident22 Ų2298.8 Ų98.813%0.13350%0.501CS..PPolyproline II helixtrans-71.7119173.1-177.50000108.7L370 L371 L374 I447L370-V388 HydrophobicContact CB-CG1 4.35Å; L370-V388 HydrophobicContact CD1-CG1 4.46Å; L370-V388 HydrophobicContact CD2-CG1 4.42Å; L371-V388 HydrophobicContact CB-CG2 4.31Å; L371-V388 WeakPolarHBondContact O-CB 3.36Å; L371-V388 WeakPolarHBondContact O-CG2 3.37Å; L374-V388 HydrophobicContact CD2-CG2 3.92Å; L374-V388 HydrophobicContact CG-CG2 3.96Å; V388-I447 HydrophobicContact CG1-CB 3.97Å; V388-I447 HydrophobicContact CG1-CG2 4.18Å
389Q83.5Confident73.1Confident151 Ų15190.4 Ų90.471%0.70647%0.469SS*.PPolyproline II helixtrans-71.5149.9173.5-62.2-179.13.800110.5K387 R438K387-Q389 PolarHBondContact O-N 3.13Å; Q389-R438 PolarHBondContact O-NH1 2.85Å; Q389-R438 PolarHBondContact O-NH2 2.65Å
390K87.1Confident75Confident185 Ų18587.7 Ų87.780%0.80445%0.452SS*.PPolyproline II helixtrans-57.3159.2173.7-66.5-175.2177.7-176.80111.2R438K390-R438 PolarHBondContact O-NH2 3.41Å; K390-R438 VanDerWaalsContact O-NH2 3.12Å
391L86Confident77.4Confident16 Ų1678.3 Ų78.38%0.08441%0.408CS..PPolyproline II helixtrans-70.1134.9174.8-62-176.6000110.2F368 L370 L397 V413 A418 I447F368-L391 HydrophobicContact CD1-CD1 4.14Å; F368-L391 HydrophobicContact CD2-CD1 3.93Å; F368-L391 HydrophobicContact CE1-CD1 4.05Å; F368-L391 HydrophobicContact CE2-CD1 3.83Å; F368-L391 HydrophobicContact CE2-CG 4.18Å; F368-L391 HydrophobicContact CG-CD1 4.09Å; F368-L391 HydrophobicContact CZ-CD1 3.9Å; F368-L391 HydrophobicContact CZ-CG 4.4Å; L370-L391 HydrophobicContact CD1-CG 4.4Å; L370-L391 HydrophobicContact CD2-CD2 4.31Å; L370-L391 HydrophobicContact CD2-CG 4.43Å; L391-L397 HydrophobicContact CD1-CD1 4.33Å; L391-L397 HydrophobicContact CD2-CD1 3.7Å; L391-L397 HydrophobicContact CD2-CD2 4.32Å; L391-V413 HydrophobicContact CB-CG2 3.95Å; L391-A418 HydrophobicContact CD1-CB 4.26Å; L391-I447 HydrophobicContact CD2-CD1 3.77Å
392S87.1Confident79.3Confident63 Ų6376.4 Ų76.444%0.44139%0.389SS..  trans-104.3154.2175.959.30000111.4E395S392-E395 PolarHBondContact N-OE2 3.3Å; S392-E395 VanDerWaalsContact O-CB 3.28Å; S392-E395 WeakPolarHBondContact O-CB 3.39Å; S392-E395 WeakPolarHBondContact OG-CB 3.42Å; S392-E395 PolarHBondContact OG-OE2 2.95Å
393K89.2Confident81.1Confident149 Ų14968.6 Ų68.665%0.64835%0.347SS*.THydrogen-bonded Turntrans-69.5145.6174.2-65.3-175.6-177.7-179.50109.6E395K393-E395 PolarHBondContact O-N 3.16Å
394N88Confident82.9Confident128 Ų12861.9 Ų61.968%0.68432%0.316SS*.THydrogen-bonded Turntrans60.918.3-174.8-60.4-24.2000114.8V410N394-V410 WeakPolarHBondContact CA-O 3.46Å; N394-V410 PolarHBondContact N-O 3.35Å
395E89.4Confident84.6Confident29 Ų2957 Ų5714%0.13630%0.302CS..  trans-77.4138.2174.5-162.2179.9154.500110.8S392 K393 L397 C409 V410 R438S392-E395 PolarHBondContact N-OE2 3.3Å; S392-E395 VanDerWaalsContact O-CB 3.28Å; S392-E395 WeakPolarHBondContact O-CB 3.39Å; S392-E395 WeakPolarHBondContact OG-CB 3.42Å; S392-E395 PolarHBondContact OG-OE2 2.95Å; K393-E395 PolarHBondContact O-N 3.16Å; E395-L397 HydrophobicContact CG-CD2 4.31Å; E395-L397 WeakPolarHBondContact OE1-CD2 3.28Å; E395-C409 WeakPolarHBondContact O-CA 3.33Å; E395-V410 HydrophobicContact CB-CG2 4.42Å; E395-V410 PolarHBondContact O-N 2.97Å; E395-R438 IonicContact OE1-CZ 3.26Å; E395-R438 IonicContact OE1-NE 3.32Å; E395-R438 PolarHBondContact OE1-NE 3.06Å; E395-R438 IonicContact OE1-NH2 3.69Å; E395-R438 PolarHBondContact OE1-NH2 3.06Å; E395-R438 IonicContact OE2-NH2 2.7Å; E395-R438 PolarHBondContact OE2-NH2 3.45Å; E395-R438 VanDerWaalsContact OE2-NH2 3.07Å
396V90.7Very high86.1Confident86 Ų8656.2 Ų56.252%0.52129%0.293SS..EExtended strand (participates in β ladder)trans-89.9115.5173.6-176.40000109.2
397L92.1Very high87.1Confident0 Ų055 Ų550%029%0.286CS..EExtended strand (participates in β ladder)trans-110.8156173.9-60.3177.3000109.8L391 E395 G407 G408 V410 I420 R438 I447L391-L397 HydrophobicContact CD1-CD1 4.33Å; L391-L397 HydrophobicContact CD2-CD1 3.7Å; L391-L397 HydrophobicContact CD2-CD2 4.32Å; E395-L397 HydrophobicContact CG-CD2 4.31Å; E395-L397 WeakPolarHBondContact OE1-CD2 3.28Å; L397-G407 CarbonylContact O-C 3.46Å; L397-G407 WeakPolarHBondContact O-CA 3.08Å; L397-G408 PolarHBondContact N-O 3.45Å; L397-G408 PolarHBondContact O-N 3.24Å; L397-V410 HydrophobicContact CD1-CG2 3.48Å; L397-V410 VanDerWaalsContact CD1-CG2 3.48Å; L397-V410 HydrophobicContact CG-CG2 3.96Å; L397-I420 HydrophobicContact CD1-CD1 4.48Å; L397-R438 HydrophobicContact CD2-CB 4.29Å; L397-I447 HydrophobicContact CD2-CD1 4Å
398M90.7Very high87.7Confident16 Ų1646.7 Ų46.78%0.07925%0.25CC..EExtended strand (participates in β ladder)trans-97.8120.5164.6-178.8171.77300107.9A135 S437 W444A135-M398 HydrophobicContact CB-CE 3.74Å; A135-M398 HydrophobicContact CB-SD 4.13Å; M398-S437 PolarHBondContact N-O 3.31Å; M398-S437 PolarHBondContact O-N 2.95Å; M398-W444 HydrophobicContact CB-CD2 4Å; M398-W444 HydrophobicContact CB-CE3 3.55Å; M398-W444 HydrophobicContact CB-CH2 4.07Å; M398-W444 HydrophobicContact CB-CZ2 4.46Å; M398-W444 HydrophobicContact CB-CZ3 3.59Å; M398-W444 HydrophobicContact CE-CB 3.46Å; M398-W444 VanDerWaalsContact CE-CB 3.46Å; M398-W444 HydrophobicContact CE-CD2 3.94Å; M398-W444 HydrophobicContact CE-CE3 4.33Å; M398-W444 HydrophobicContact CE-CG 3.55Å; M398-W444 HydrophobicContact SD-CD2 4Å; M398-W444 HydrophobicContact SD-CE3 4.49Å; M398-W444 HydrophobicContact SD-CG 4Å
399V91.7Very high88.3Confident2 Ų247.4 Ų47.41%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-105.2120.9179.2-172.40000107.6I401 S406 I420 L422 I434 L436V399-I401 HydrophobicContact CG1-CD1 4.01Å; V399-I401 HydrophobicContact CG1-CG1 3.71Å; V399-S406 PolarHBondContact N-O 2.92Å; V399-S406 PolarHBondContact O-N 3.26Å; V399-I420 HydrophobicContact CG2-CD1 4.08Å; V399-I420 HydrophobicContact CG2-CG2 4.14Å; V399-L422 HydrophobicContact CB-CD2 4.36Å; V399-L422 HydrophobicContact CG2-CD2 4.31Å; V399-I434 HydrophobicContact CG1-CB 4.17Å; V399-I434 HydrophobicContact CG1-CD1 4.03Å; V399-I434 HydrophobicContact CG1-CG2 4.48Å; V399-L436 HydrophobicContact CG1-CD2 4.36Å; V399-L436 HydrophobicContact CG2-CD2 4.05Å
400N89.8Confident88.7Confident4 Ų440.2 Ų40.22%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-103.5118.9173.2-63-16.6000108.7L138 L404 S405 I434 A435L138-N400 HydrophobicContact CB-CB 4.47Å; L138-N400 WeakPolarHBondContact CD1-ND2 3.31Å; N400-L404 CarbonylContact C-O 3.59Å; N400-L404 VanDerWaalsContact CA-O 3.29Å; N400-L404 WeakPolarHBondContact CA-O 3.41Å; N400-S405 VanDerWaalsContact OD1-CA 3.3Å; N400-S405 WeakPolarHBondContact OD1-CA 3.27Å; N400-S405 WeakPolarHBondContact OD1-CB 3.23Å; N400-I434 CarbonylContact O-C 3.54Å; N400-I434 VanDerWaalsContact O-CA 3.28Å; N400-I434 WeakPolarHBondContact O-CA 3.46Å; N400-A435 HydrophobicContact CB-CB 4.29Å; N400-A435 PolarHBondContact N-O 3.19Å; N400-A435 PolarHBondContact O-N 2.88Å
401I88.5Confident89Confident7 Ų734.1 Ų34.14%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-120.9111.5-178.3-46.6-173.6000106.7L364 V399 S403 L404 L422 V426 T428 I434 I452L364-I401 HydrophobicContact CD1-CD1 3.36Å; V399-I401 HydrophobicContact CG1-CD1 4.01Å; V399-I401 HydrophobicContact CG1-CG1 3.71Å; I401-S403 PolarHBondContact O-N 3.26Å; I401-L404 PolarHBondContact N-O 3.05Å; I401-L404 PolarHBondContact O-N 3.44Å; I401-L422 HydrophobicContact CD1-CD1 4.25Å; I401-V426 HydrophobicContact CB-CG1 4.3Å; I401-V426 HydrophobicContact CD1-CB 4.42Å; I401-V426 HydrophobicContact CD1-CG1 4.15Å; I401-V426 HydrophobicContact CD1-CG2 4.38Å; I401-V426 HydrophobicContact CG2-CG1 4.33Å; I401-T428 HydrophobicContact CG2-CG2 4.47Å; I401-T428 WeakPolarHBondContact CG2-OG1 3.5Å; I401-I434 HydrophobicContact CB-CG2 4.18Å; I401-I434 HydrophobicContact CD1-CG2 4.18Å; I401-I434 HydrophobicContact CG1-CB 4.44Å; I401-I434 HydrophobicContact CG1-CG2 3.66Å; I401-I434 HydrophobicContact CG2-CG2 4.05Å; I401-I452 HydrophobicContact CD1-CD1 4.43Å; I401-I452 HydrophobicContact CG2-CD1 4.2Å
402G82.7Confident89.2Confident15 Ų1535 Ų3516%0.15521%0.207CC..THydrogen-bonded Turntrans54.5-114.7-171.800000111.5A142A142-G402 VanDerWaalsContact CB-O 3.3Å; A142-G402 WeakPolarHBondContact CB-O 3.26Å
403S82Confident89.4Confident2 Ų234.1 Ų34.11%0.01420%0.199CC..THydrogen-bonded Turntrans-96.6-2.2176.9690000114.9N139 I249 V250 G348 I401N139-S403 PolarHBondContact ND2-O 3.16Å; N139-S403 VanDerWaalsContact ND2-O 3.08Å; N139-S403 PolarHBondContact OD1-O 3.03Å; I249-S403 WeakPolarHBondContact CG2-OG 3.46Å; V250-S403 PolarHBondContact O-OG 2.77Å; G348-S403 WeakPolarHBondContact CA-OG 3.44Å; I401-S403 PolarHBondContact O-N 3.26Å
404L86.3Confident89.5Confident24 Ų2435.2 Ų35.213%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-96.1128.3-177.9-173.967.4000111V347 N400 I401 V426V347-L404 WeakPolarHBondContact O-CD1 3.21Å; N400-L404 CarbonylContact C-O 3.59Å; N400-L404 VanDerWaalsContact CA-O 3.29Å; N400-L404 WeakPolarHBondContact CA-O 3.41Å; I401-L404 PolarHBondContact N-O 3.05Å; I401-L404 PolarHBondContact O-N 3.44Å; L404-V426 HydrophobicContact CD2-CB 3.93Å; L404-V426 HydrophobicContact CD2-CG1 3.6Å; L404-V426 HydrophobicContact CD2-CG2 3.32Å
405S86.4Confident89.4Confident52 Ų5232 Ų3236%0.36420%0.201SC..EExtended strand (participates in β ladder)trans-104.8110.5169.258.10000110.1N400N400-S405 VanDerWaalsContact OD1-CA 3.3Å; N400-S405 WeakPolarHBondContact OD1-CA 3.27Å; N400-S405 WeakPolarHBondContact OD1-CB 3.23Å
406S88.7Confident89.3Confident4 Ų436.3 Ų36.33%0.02823%0.225CC..EExtended strand (participates in β ladder)trans-118.9142.6178.1178.50000111.1V399 S424V399-S406 PolarHBondContact N-O 2.92Å; V399-S406 PolarHBondContact O-N 3.26Å; S406-S424 WeakPolarHBondContact CB-OG 3.47Å; S406-S424 PolarHBondContact OG-OG 3.48Å
407G90.2Very high89.4Confident24 Ų2436.3 Ų36.325%0.24722%0.222CC..EExtended strand (participates in β ladder)trans-68.1144.7162.400000110.4L397 N423L397-G407 CarbonylContact O-C 3.46Å; L397-G407 WeakPolarHBondContact O-CA 3.08Å; G407-N423 WeakPolarHBondContact O-CB 3.46Å; G407-N423 PolarHBondContact O-N 2.9Å
408G91.5Very high89.4Confident1 Ų136.4 Ų36.41%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-145.4142.2175.600000111.9L397 R421L397-G408 PolarHBondContact N-O 3.45Å; L397-G408 PolarHBondContact O-N 3.24Å; G408-R421 CarbonylContact C-O 3.57Å; G408-R421 WeakPolarHBondContact CA-O 3.39Å
409C92.9Very high89.6Confident37 Ų3740.1 Ų40.125%0.2524%0.238CC..EExtended strand (participates in β ladder)trans-99.9128.5176.8-171.70000110.1E395 I411 I420 R421E395-C409 WeakPolarHBondContact O-CA 3.33Å; C409-I411 PolarHBondContact O-N 3.49Å; C409-I420 WeakPolarHBondContact O-CA 3.32Å; C409-R421 PolarHBondContact N-O 2.77Å; C409-R421 PolarHBondContact O-N 3.46Å
410V92.9Very high89.6Confident0 Ų040 Ų400%024%0.238CC..EExtended strand (participates in β ladder)trans-76.1111.1178.4-177.90000109.8N394 E395 L397 V413 I420N394-V410 WeakPolarHBondContact CA-O 3.46Å; N394-V410 PolarHBondContact N-O 3.35Å; E395-V410 HydrophobicContact CB-CG2 4.42Å; E395-V410 PolarHBondContact O-N 2.97Å; L397-V410 HydrophobicContact CD1-CG2 3.48Å; L397-V410 VanDerWaalsContact CD1-CG2 3.48Å; L397-V410 HydrophobicContact CG-CG2 3.96Å; V410-V413 HydrophobicContact CG1-CG2 3.43Å; V410-V413 VanDerWaalsContact CG1-CG2 3.43Å; V410-I420 HydrophobicContact CG2-CG1 4.37Å
411I92.3Very high89.8Confident57 Ų5745.9 Ų45.929%0.29226%0.259SS..EExtended strand (participates in β ladder)trans-79.7-46.1179.3-60.4164000110.9C409 K419 R421C409-I411 PolarHBondContact O-N 3.49Å; I411-K419 HydrophobicContact CB-CB 4.38Å; I411-K419 PolarHBondContact N-O 3.2Å; I411-R421 HydrophobicContact CD1-CB 3.73Å; I411-R421 HydrophobicContact CG1-CB 4.1Å
412A91.3Very high89.9Confident34 Ų3446 Ų4628%0.28126%0.26SS..EExtended strand (participates in β ladder)trans-149146.4-175.700000110.9A418 K419A412-A418 CarbonylContact O-C 3.54Å; A412-A418 WeakPolarHBondContact O-CA 3.42Å; A412-K419 HydrophobicContact CB-CB 4.43Å; A412-K419 HydrophobicContact CB-CG 4.42Å; A412-K419 PolarHBondContact O-N 2.76Å
413V90.9Very high90.2Very high45 Ų4549.5 Ų49.527%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-127.8127.6174-174.70000107.3F368 L391 V410 L417F368-V413 HydrophobicContact CE1-CG1 4.08Å; F368-V413 HydrophobicContact CZ-CG1 3.95Å; L391-V413 HydrophobicContact CB-CG2 3.95Å; V410-V413 HydrophobicContact CG1-CG2 3.43Å; V410-V413 VanDerWaalsContact CG1-CG2 3.43Å; V413-L417 WeakPolarHBondContact CA-O 3.21Å
414K89.7Confident90.4Very high173 Ų17351.4 Ų51.475%0.75229%0.289SS*.EExtended strand (participates in β ladder)trans-135.798.9177.8-173.4-178-178.9-177.50109D416 L417K414-D416 PolarHBondContact O-N 3.49Å; K414-L417 PolarHBondContact N-O 3.1Å; K414-L417 WeakPolarHBondContact O-CB 3.48Å; K414-L417 PolarHBondContact O-N 3.11Å
415G86.6Confident90.5Very high61 Ų6150.5 Ų50.563%0.62928%0.284SS*.THydrogen-bonded Turntrans59.7-121.3-174.700000110.6F368 L417F368-G415 WeakPolarHBondContact CZ-O 3.48Å; G415-L417 VanDerWaalsContact C-N 3.33Å
416D88.7Confident90.7Very high118 Ų11848.2 Ų48.263%0.63127%0.268SS*.THydrogen-bonded Turntrans-91.16.1179.4-54.5-33000113S367 F368 K414S367-D416 CarbonylContact C-O 3.45Å; S367-D416 WeakPolarHBondContact CA-O 3.49Å; F368-D416 WeakPolarHBondContact CD1-O 3.21Å; F368-D416 VanDerWaalsContact CE1-C 3.47Å; F368-D416 WeakPolarHBondContact CE1-O 3.03Å; F368-D416 PolarHBondContact N-O 3.37Å; K414-D416 PolarHBondContact O-N 3.49Å
417L92.2Very high90.6Very high87 Ų8748.4 Ų48.446%0.45527%0.269SS..EExtended strand (participates in β ladder)trans-104.4135.3175.7-62.4172.2000110.9I366 V413 K414 G415I366-L417 CarbonylContact O-C 3.57Å; I366-L417 VanDerWaalsContact O-CA 3.31Å; I366-L417 WeakPolarHBondContact O-CA 3.35Å; V413-L417 WeakPolarHBondContact CA-O 3.21Å; K414-L417 PolarHBondContact N-O 3.1Å; K414-L417 WeakPolarHBondContact O-CB 3.48Å; K414-L417 PolarHBondContact O-N 3.11Å; G415-L417 VanDerWaalsContact C-N 3.33Å
418A92Very high90.6Very high2 Ų247.3 Ų47.32%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-129.2140172.900000110.9E365 I366 F368 L391 A412E365-A418 WeakPolarHBondContact CA-O 3.4Å; I366-A418 HydrophobicContact CD1-CB 4.35Å; I366-A418 HydrophobicContact CG1-CB 3.98Å; I366-A418 WeakPolarHBondContact CG1-O 3.46Å; I366-A418 PolarHBondContact N-O 3.26Å; I366-A418 PolarHBondContact O-N 3.03Å; F368-A418 HydrophobicContact CD1-CB 3.6Å; F368-A418 HydrophobicContact CE1-CB 3.66Å; L391-A418 HydrophobicContact CD1-CB 4.26Å; A412-A418 CarbonylContact O-C 3.54Å; A412-A418 WeakPolarHBondContact O-CA 3.42Å
419K93.6Very high90.5Very high93 Ų9351.2 Ų51.240%0.40428%0.276SS..EExtended strand (participates in β ladder)trans-98.8123167.9-56-153.8-168.5-160.20109.1L364 E365 I411 A412L364-K419 CarbonylContact O-C 3.58Å; L364-K419 WeakPolarHBondContact O-CA 3.32Å; E365-K419 HydrophobicContact CG-CD 4.05Å; E365-K419 HydrophobicContact CG-CG 4.01Å; E365-K419 WeakPolarHBondContact OE1-CD 3.35Å; E365-K419 WeakPolarHBondContact OE1-CE 3.45Å; E365-K419 IonicContact OE1-NZ 2.83Å; E365-K419 PolarHBondContact OE1-NZ 3.31Å; I411-K419 HydrophobicContact CB-CB 4.38Å; I411-K419 PolarHBondContact N-O 3.2Å; A412-K419 HydrophobicContact CB-CB 4.43Å; A412-K419 HydrophobicContact CB-CG 4.42Å; A412-K419 PolarHBondContact O-N 2.76Å
420I93.4Very high90.2Very high1 Ų152.7 Ų52.71%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-122.3126-178.9-53.6-175.2000109.1E363 L364 I366 L397 V399 C409 V410 L422 L436E363-I420 CarbonylContact C-O 3.5Å; E363-I420 WeakPolarHBondContact CA-O 3.41Å; L364-I420 PolarHBondContact N-O 3.42Å; L364-I420 PolarHBondContact O-N 3.48Å; I366-I420 HydrophobicContact CD1-CD1 3.46Å; I366-I420 VanDerWaalsContact CD1-CD1 3.46Å; I366-I420 HydrophobicContact CD1-CG1 4.24Å; I366-I420 HydrophobicContact CG1-CD1 4.16Å; I366-I420 HydrophobicContact CG1-CG1 4.44Å; L397-I420 HydrophobicContact CD1-CD1 4.48Å; V399-I420 HydrophobicContact CG2-CD1 4.08Å; V399-I420 HydrophobicContact CG2-CG2 4.14Å; C409-I420 WeakPolarHBondContact O-CA 3.32Å; V410-I420 HydrophobicContact CG2-CG1 4.37Å; I420-L422 HydrophobicContact CG2-CD2 4.2Å; I420-L436 HydrophobicContact CD1-CD2 4.09Å
421R92.6Very high90Very high126 Ų12657.2 Ų57.248%0.47531%0.308SS..EExtended strand (participates in β ladder)trans-88.8124.3168.4-177.3177.1-64.2156.61109.5E363 G408 C409 I411E363-R421 HydrophobicContact CG-CB 4.29Å; E363-R421 HydrophobicContact CG-CG 4.23Å; E363-R421 IonicContact OE1-CZ 3.29Å; E363-R421 VanDerWaalsContact OE1-CZ 3.29Å; E363-R421 IonicContact OE1-NE 2.84Å; E363-R421 PolarHBondContact OE1-NE 3.41Å; E363-R421 IonicContact OE1-NH2 2.84Å; E363-R421 PolarHBondContact OE1-NH2 3.31Å; G408-R421 CarbonylContact C-O 3.57Å; G408-R421 WeakPolarHBondContact CA-O 3.39Å; C409-R421 PolarHBondContact N-O 2.77Å; C409-R421 PolarHBondContact O-N 3.46Å; I411-R421 HydrophobicContact CD1-CB 3.73Å; I411-R421 HydrophobicContact CG1-CB 4.1Å
422L90.9Very high89.8Confident9 Ų957 Ų575%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-86142.7-179-54.5177000110.8V362 L364 V399 I401 I420 S424 V426V362-L422 WeakPolarHBondContact O-CB 3.5Å; V362-L422 PolarHBondContact O-N 2.92Å; L364-L422 HydrophobicContact CD1-CD1 3.69Å; L364-L422 HydrophobicContact CD1-CD2 4.36Å; L364-L422 HydrophobicContact CD1-CG 4.37Å; L364-L422 HydrophobicContact CG-CD1 3.96Å; L364-L422 HydrophobicContact CG-CG 4.49Å; V399-L422 HydrophobicContact CB-CD2 4.36Å; V399-L422 HydrophobicContact CG2-CD2 4.31Å; I401-L422 HydrophobicContact CD1-CD1 4.25Å; I420-L422 HydrophobicContact CG2-CD2 4.2Å; L422-S424 VanDerWaalsContact CB-O 3.3Å; L422-S424 WeakPolarHBondContact CB-O 3.37Å; L422-V426 HydrophobicContact CD1-CB 4.1Å; L422-V426 HydrophobicContact CD1-CG2 3.5Å
423N89Confident89.7Confident90 Ų9057.6 Ų57.648%0.48130%0.302SS..EExtended strand (participates in β ladder)trans-73.3-31.6177.4-72.5-7.3000112.6K295 G407K295-N423 PolarHBondContact NZ-O 3.19Å; G407-N423 WeakPolarHBondContact O-CB 3.46Å; G407-N423 PolarHBondContact O-N 2.9Å
424S87Confident89.7Confident42 Ų4255.4 Ų55.429%0.29429%0.289SS..EExtended strand (participates in β ladder)trans-121.4136.5171.549.30000109S406 L422 V426S406-S424 WeakPolarHBondContact CB-OG 3.47Å; S406-S424 PolarHBondContact OG-OG 3.48Å; L422-S424 VanDerWaalsContact CB-O 3.3Å; L422-S424 WeakPolarHBondContact CB-O 3.37Å; S424-V426 WeakPolarHBondContact O-CG2 3.5Å
425P88.3Confident89.7Confident5 Ų547.2 Ų47.23%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-66.8149.3177.230.9-35.5000110.6P290 V293 V302 C304 I360 Y361 V362P290-P425 HydrophobicContact CB-CG 4.42Å; V293-P425 HydrophobicContact CB-CG 4.28Å; V293-P425 HydrophobicContact CG1-CG 3.69Å; V293-P425 HydrophobicContact CG2-CG 3.53Å; V302-P425 HydrophobicContact CG1-CG 3.97Å; C304-P425 VanDerWaalsContact SG-CG 3.54Å; I360-P425 HydrophobicContact CG2-CB 3.59Å; I360-P425 HydrophobicContact CG2-CG 4.49Å; Y361-P425 WeakPolarHBondContact O-CA 3.28Å; V362-P425 HydrophobicContact CG2-CB 4.47Å
426V89.4Confident89.9Confident3 Ų344.3 Ų44.32%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-129.5134.7-172.7-174.50000110.5I360 Y361 I401 L404 L422 S424 T428I360-V426 CarbonylContact C-O 3.57Å; I360-V426 WeakPolarHBondContact CA-O 3.11Å; Y361-V426 PolarHBondContact N-O 3.44Å; Y361-V426 PolarHBondContact O-N 3.42Å; I401-V426 HydrophobicContact CB-CG1 4.3Å; I401-V426 HydrophobicContact CD1-CB 4.42Å; I401-V426 HydrophobicContact CD1-CG1 4.15Å; I401-V426 HydrophobicContact CD1-CG2 4.38Å; I401-V426 HydrophobicContact CG2-CG1 4.33Å; L404-V426 HydrophobicContact CD2-CB 3.93Å; L404-V426 HydrophobicContact CD2-CG1 3.6Å; L404-V426 HydrophobicContact CD2-CG2 3.32Å; L422-V426 HydrophobicContact CD1-CB 4.1Å; L422-V426 HydrophobicContact CD1-CG2 3.5Å; S424-V426 WeakPolarHBondContact O-CG2 3.5Å; V426-T428 HydrophobicContact CG1-CG2 4.26Å
427C88.3Confident90Very high8 Ų838.7 Ų38.75%0.05419%0.193CC..EExtended strand (participates in β ladder)trans-89.4108.1171.7-171.90000108.5R289 V350 P358R289-C427 HydrophobicContact CB-CB 4.05Å; V350-C427 HydrophobicContact CG2-CB 4.12Å; P358-C427 PolarHBondContact O-SG 2.81Å; P358-C427 VanDerWaalsContact O-SG 3.38Å
428T89.4Confident89.8Confident2 Ų235.9 Ų35.91%0.01218%0.176CC..  trans-148.2171.6-172.5178.60000109.9P358 E359 Y361 L364 I401 V426 E432 I452P358-T428 VanDerWaalsContact CB-O 3.27Å; P358-T428 WeakPolarHBondContact CB-O 3.47Å; E359-T428 PolarHBondContact O-N 3.19Å; Y361-T428 HydrophobicContact CD2-CG2 3.51Å; Y361-T428 HydrophobicContact CE2-CG2 4.13Å; Y361-T428 VanDerWaalsContact CE2-O 3.31Å; Y361-T428 WeakPolarHBondContact CE2-O 3.48Å; Y361-T428 HydrophobicContact CG-CG2 4.18Å; L364-T428 HydrophobicContact CD2-CG2 4.42Å; I401-T428 HydrophobicContact CG2-CG2 4.47Å; I401-T428 WeakPolarHBondContact CG2-OG1 3.5Å; V426-T428 HydrophobicContact CG1-CG2 4.26Å; T428-E432 WeakPolarHBondContact CA-OE2 3.33Å; T428-E432 WeakPolarHBondContact CB-OE2 3.19Å; T428-E432 VanDerWaalsContact OG1-CD 3.32Å; T428-E432 PolarHBondContact OG1-OE2 3.06Å; T428-I452 HydrophobicContact CG2-CD1 3.8Å; T428-I452 WeakPolarHBondContact OG1-CD1 3.35Å
429Q88.6Confident89.5Confident82 Ų8243.5 Ų43.538%0.38321%0.205SC..  trans-115160.7176.5-56.8-160.9-74.600111.8R247 P358 E432R247-Q429 VanDerWaalsContact NH1-OE1 3.07Å; P358-Q429 HydrophobicContact CB-CG 3.96Å; P358-Q429 HydrophobicContact CG-CG 3.83Å; Q429-E432 PolarHBondContact N-OE2 3.32Å; Q429-E432 VanDerWaalsContact O-CB 3.28Å; Q429-E432 WeakPolarHBondContact O-CB 3.35Å; Q429-E432 PolarHBondContact O-N 3.31Å
430V88Confident88.9Confident69 Ų6940.8 Ų40.842%0.41820%0.196SC..THydrogen-bonded Turntrans-62.3146.1167.8-1760000109.4E432 R453V430-E432 PolarHBondContact O-N 3.01Å; V430-R453 VanDerWaalsContact CG1-O 3.25Å; V430-R453 WeakPolarHBondContact CG1-O 3.26Å
431D88.5Confident88.1Confident95 Ų9548.3 Ų48.351%0.50823%0.231SC..THydrogen-bonded Turntrans65.89.4-174.5-54.3-49.4000115I452 R453D431-I452 WeakPolarHBondContact CA-O 3.11Å; D431-I452 PolarHBondContact N-O 3.45Å; D431-R453 IonicContact OD1-NH1 3.45Å; D431-R453 PolarHBondContact OD1-NH1 3.2Å
432E87.7Confident87.4Confident53 Ų5352.6 Ų52.625%0.24825%0.247CC..  trans-69.5139.2170.1-166.9168.6176.400110.5T428 Q429 V430 I452T428-E432 WeakPolarHBondContact CA-OE2 3.33Å; T428-E432 WeakPolarHBondContact CB-OE2 3.19Å; T428-E432 VanDerWaalsContact OG1-CD 3.32Å; T428-E432 PolarHBondContact OG1-OE2 3.06Å; Q429-E432 PolarHBondContact N-OE2 3.32Å; Q429-E432 VanDerWaalsContact O-CB 3.28Å; Q429-E432 WeakPolarHBondContact O-CB 3.35Å; Q429-E432 PolarHBondContact O-N 3.31Å; V430-E432 PolarHBondContact O-N 3.01Å; E432-I452 HydrophobicContact CB-CD1 4.29Å; E432-I452 PolarHBondContact O-N 2.64Å
433K88.2Confident86.9Confident45 Ų4554.8 Ų54.820%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-82.3144.7-179.7-68.5-178.4-171.1164.10111.3G450 E451K433-G450 CarbonylContact C-O 3.57Å; K433-G450 WeakPolarHBondContact CA-O 3.27Å; K433-E451 HydrophobicContact CG-CG 4.15Å
434I90.9Very high86.7Confident0 Ų054.3 Ų54.30%025%0.249CC..EExtended strand (participates in β ladder)trans-129.2144.9179.262.4166.6000110.3I366 V399 N400 I401 L436 W449 G450 I452I366-I434 HydrophobicContact CB-CD1 3.82Å; I366-I434 HydrophobicContact CD1-CD1 3.47Å; I366-I434 VanDerWaalsContact CD1-CD1 3.47Å; I366-I434 HydrophobicContact CG1-CD1 4.2Å; I366-I434 HydrophobicContact CG2-CD1 3.39Å; V399-I434 HydrophobicContact CG1-CB 4.17Å; V399-I434 HydrophobicContact CG1-CD1 4.03Å; V399-I434 HydrophobicContact CG1-CG2 4.48Å; N400-I434 CarbonylContact O-C 3.54Å; N400-I434 VanDerWaalsContact O-CA 3.28Å; N400-I434 WeakPolarHBondContact O-CA 3.46Å; I401-I434 HydrophobicContact CB-CG2 4.18Å; I401-I434 HydrophobicContact CD1-CG2 4.18Å; I401-I434 HydrophobicContact CG1-CB 4.44Å; I401-I434 HydrophobicContact CG1-CG2 3.66Å; I401-I434 HydrophobicContact CG2-CG2 4.05Å; I434-L436 HydrophobicContact CD1-CD2 4.09Å; I434-W449 CarbonylContact O-C 3.56Å; I434-W449 WeakPolarHBondContact O-CA 3.32Å; I434-W449 WeakPolarHBondContact O-CB 3.43Å; I434-G450 WeakPolarHBondContact CG1-O 3.43Å; I434-G450 PolarHBondContact N-O 2.99Å; I434-G450 PolarHBondContact O-N 3.5Å; I434-I452 HydrophobicContact CG2-CD1 3.91Å; I434-I452 HydrophobicContact CG2-CG1 3.86Å
435A90.5Very high86.6Confident0 Ų053.4 Ų53.40%024%0.239CC..EExtended strand (participates in β ladder)trans-102.2133.6169.800000109.6L138 M172 N400 L446L138-A435 HydrophobicContact CD1-CB 4.06Å; L138-A435 HydrophobicContact CD2-CB 3.97Å; M172-A435 HydrophobicContact CE-CB 4.35Å; N400-A435 HydrophobicContact CB-CB 4.29Å; N400-A435 PolarHBondContact N-O 3.19Å; N400-A435 PolarHBondContact O-N 2.88Å; A435-L446 HydrophobicContact CB-CD1 4.01Å
436L91.5Very high86.5Confident0 Ų053.2 Ų53.20%024%0.237CC..EExtended strand (participates in β ladder)trans-104.1126.6179.6-62.7177000109.4I366 F368 V399 I420 I434 I447 G448I366-L436 HydrophobicContact CD1-CD1 3.98Å; I366-L436 HydrophobicContact CD1-CD2 4Å; I366-L436 HydrophobicContact CD1-CG 4.49Å; F368-L436 HydrophobicContact CB-CD1 3.84Å; V399-L436 HydrophobicContact CG1-CD2 4.36Å; V399-L436 HydrophobicContact CG2-CD2 4.05Å; I420-L436 HydrophobicContact CD1-CD2 4.09Å; I434-L436 HydrophobicContact CD1-CD2 4.09Å; L436-I447 HydrophobicContact CB-CD1 4.12Å; L436-I447 HydrophobicContact CB-CG1 3.84Å; L436-I447 WeakPolarHBondContact O-CG1 3.39Å; L436-I447 PolarHBondContact O-N 3.48Å; L436-G448 PolarHBondContact N-O 3.26Å; L436-G448 PolarHBondContact O-N 3.3Å
437S89.3Confident86.5Confident1 Ų153 Ų531%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-123.5139.2177.5-620000111.3M398 R445M398-S437 PolarHBondContact N-O 3.31Å; M398-S437 PolarHBondContact O-N 2.95Å; S437-R445 CarbonylContact C-O 3.18Å; S437-R445 WeakPolarHBondContact CA-O 3.34Å; S437-R445 WeakPolarHBondContact CB-O 3.26Å
438R88.1Confident86.5Confident28 Ų2852.7 Ų52.711%0.10623%0.234CC..EExtended strand (participates in β ladder)trans-113.7146.6177.5179.4179.5-78.3164.3-14.5109.9Q389 K390 E395 L397 V440 R445 I447Q389-R438 PolarHBondContact O-NH1 2.85Å; Q389-R438 PolarHBondContact O-NH2 2.65Å; K390-R438 PolarHBondContact O-NH2 3.41Å; K390-R438 VanDerWaalsContact O-NH2 3.12Å; E395-R438 IonicContact OE1-CZ 3.26Å; E395-R438 IonicContact OE1-NE 3.32Å; E395-R438 PolarHBondContact OE1-NE 3.06Å; E395-R438 IonicContact OE1-NH2 3.69Å; E395-R438 PolarHBondContact OE1-NH2 3.06Å; E395-R438 IonicContact OE2-NH2 2.7Å; E395-R438 PolarHBondContact OE2-NH2 3.45Å; E395-R438 VanDerWaalsContact OE2-NH2 3.07Å; L397-R438 HydrophobicContact CD2-CB 4.29Å; R438-V440 HydrophobicContact CG-CG2 4.3Å; R438-V440 PolarHBondContact O-N 3.18Å; R438-R445 PolarHBondContact N-O 3.1Å; R438-R445 PolarHBondContact O-N 3.2Å; R438-I447 HydrophobicContact CB-CD1 4.16Å; R438-I447 HydrophobicContact CB-CG1 4.38Å; R438-I447 HydrophobicContact CB-CG2 3.47Å; R438-I447 VanDerWaalsContact CB-CG2 3.47Å
439R86.3Confident86.6Confident161 Ų16155.9 Ų55.961%0.60825%0.246SC*.EExtended strand (participates in β ladder)trans-81115.8173.8-164.6175.4-175.6-170.3-1.5110.3H443 W444R439-H443 CarbonylContact C-O 3.43Å; R439-H443 WeakPolarHBondContact CA-O 3.49Å; R439-W444 HydrophobicContact CB-CD2 4.31Å; R439-W444 HydrophobicContact CB-CE3 3.95Å; R439-W444 HydrophobicContact CB-CH2 4.15Å; R439-W444 HydrophobicContact CB-CZ2 4.49Å; R439-W444 HydrophobicContact CB-CZ3 3.86Å
440V81.7Confident86.7Confident37 Ų3752 Ų5222%0.22423%0.228CC..EExtended strand (participates in β ladder)trans-127.2126.2176.5-176.60000107.7L374 R438 R442 H443 R445L374-V440 HydrophobicContact CD1-CG2 4.48Å; R438-V440 HydrophobicContact CG-CG2 4.3Å; R438-V440 PolarHBondContact O-N 3.18Å; V440-R442 VanDerWaalsContact C-N 3.28Å; V440-R442 PolarHBondContact O-N 3.4Å; V440-R442 VanDerWaalsContact O-N 3.17Å; V440-H443 PolarHBondContact N-O 2.89Å; V440-H443 PolarHBondContact O-N 2.89Å; V440-R445 HydrophobicContact CB-CG 4.3Å
441E76.4Confident86.9Confident159 Ų15951.6 Ų51.674%0.74322%0.222SC*.THydrogen-bonded Turntrans50.143.5178-64177.7176.300114.1H443E441-H443 PolarHBondContact O-CD2 3.03Å; E441-H443 PolarHBondContact O-N 3.22Å
442R77Confident87.1Confident216 Ų21647.1 Ų47.182%0.81520%0.198SC*.THydrogen-bonded Turntrans73-7-176.3-50.3176.2174.8-174.3-1.7116V440V440-R442 VanDerWaalsContact C-N 3.28Å; V440-R442 PolarHBondContact O-N 3.4Å; V440-R442 VanDerWaalsContact O-N 3.17Å
443H80.7Confident87.2Confident55 Ų5550.2 Ų50.226%0.25521%0.207SC..EExtended strand (participates in β ladder)trans-103.7146.1179.1-59.9-71.4000112R439 V440 E441R439-H443 CarbonylContact C-O 3.43Å; R439-H443 WeakPolarHBondContact CA-O 3.49Å; V440-H443 PolarHBondContact N-O 2.89Å; V440-H443 PolarHBondContact O-N 2.89Å; E441-H443 PolarHBondContact O-CD2 3.03Å; E441-H443 PolarHBondContact O-N 3.22Å
444W84.1Confident87.3Confident80 Ų8056.8 Ų56.830%0.30323%0.231SC..EExtended strand (participates in β ladder)trans-83.1126169.5-66104.1000109.2M398 R439M398-W444 HydrophobicContact CB-CD2 4Å; M398-W444 HydrophobicContact CB-CE3 3.55Å; M398-W444 HydrophobicContact CB-CH2 4.07Å; M398-W444 HydrophobicContact CB-CZ2 4.46Å; M398-W444 HydrophobicContact CB-CZ3 3.59Å; M398-W444 HydrophobicContact CE-CB 3.46Å; M398-W444 VanDerWaalsContact CE-CB 3.46Å; M398-W444 HydrophobicContact CE-CD2 3.94Å; M398-W444 HydrophobicContact CE-CE3 4.33Å; M398-W444 HydrophobicContact CE-CG 3.55Å; M398-W444 HydrophobicContact SD-CD2 4Å; M398-W444 HydrophobicContact SD-CE3 4.49Å; M398-W444 HydrophobicContact SD-CG 4Å; R439-W444 HydrophobicContact CB-CD2 4.31Å; R439-W444 HydrophobicContact CB-CE3 3.95Å; R439-W444 HydrophobicContact CB-CH2 4.15Å; R439-W444 HydrophobicContact CB-CZ2 4.49Å; R439-W444 HydrophobicContact CB-CZ3 3.86Å
445R85.7Confident87.1Confident22 Ų2258.2 Ų58.28%0.08325%0.245CC..EExtended strand (participates in β ladder)trans-122.3140.9-178.9-64.2-66.9-174.6-1231.3110D131 S437 R438 V440 I447D131-R445 PolarHBondContact O-NH1 2.57Å; D131-R445 IonicContact OD2-CZ 2.64Å; D131-R445 IonicContact OD2-NH1 2.62Å; D131-R445 PolarHBondContact OD2-NH1 2.99Å; D131-R445 IonicContact OD2-NH2 2.68Å; D131-R445 PolarHBondContact OD2-NH2 2.06Å; S437-R445 CarbonylContact C-O 3.18Å; S437-R445 WeakPolarHBondContact CA-O 3.34Å; S437-R445 WeakPolarHBondContact CB-O 3.26Å; R438-R445 PolarHBondContact N-O 3.1Å; R438-R445 PolarHBondContact O-N 3.2Å; V440-R445 HydrophobicContact CB-CG 4.3Å; R445-I447 PolarHBondContact O-N 3.31Å
446L86.1Confident86.9Confident1 Ų162 Ų621%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-67.2121.3176-176.867.4000110.4L138 E164 A167 A168 I171 L371 A435L138-L446 HydrophobicContact CD1-CD1 4.32Å; E164-L446 HydrophobicContact CG-CB 4.49Å; E164-L446 PolarHBondContact OE1-N 3.26Å; A167-L446 HydrophobicContact CB-CD2 4.44Å; A168-L446 HydrophobicContact CB-CD2 4.33Å; I171-L446 HydrophobicContact CD1-CD1 3.98Å; I171-L446 HydrophobicContact CD1-CD2 3.71Å; I171-L446 HydrophobicContact CD1-CG 4.19Å; L371-L446 HydrophobicContact CD1-CD2 4.38Å; L371-L446 HydrophobicContact CD1-CG 4.19Å; A435-L446 HydrophobicContact CB-CD1 4.01Å
447I89Confident86.7Confident0 Ų064.5 Ų64.50%028%0.284CS..EExtended strand (participates in β ladder)trans-107-21.3179.554.7160.4000113.3L370 L371 L374 V388 L391 L397 L436 R438 R445L370-I447 HydrophobicContact CD2-CB 4.48Å; L370-I447 HydrophobicContact CD2-CD1 4.07Å; L370-I447 HydrophobicContact CD2-CG1 4.4Å; L371-I447 WeakPolarHBondContact CB-O 3.19Å; L371-I447 PolarHBondContact N-O 2.91Å; L374-I447 HydrophobicContact CD2-CG2 3.92Å; V388-I447 HydrophobicContact CG1-CB 3.97Å; V388-I447 HydrophobicContact CG1-CG2 4.18Å; L391-I447 HydrophobicContact CD2-CD1 3.77Å; L397-I447 HydrophobicContact CD2-CD1 4Å; L436-I447 HydrophobicContact CB-CD1 4.12Å; L436-I447 HydrophobicContact CB-CG1 3.84Å; L436-I447 WeakPolarHBondContact O-CG1 3.39Å; L436-I447 PolarHBondContact O-N 3.48Å; R438-I447 HydrophobicContact CB-CD1 4.16Å; R438-I447 HydrophobicContact CB-CG1 4.38Å; R438-I447 HydrophobicContact CB-CG2 3.47Å; R438-I447 VanDerWaalsContact CB-CG2 3.47Å; R445-I447 PolarHBondContact O-N 3.31Å
448G89.7Confident86.4Confident0 Ų066.4 Ų66.40%029%0.293CS..EExtended strand (participates in β ladder)trans169.9-172.5-173.900000112.1F369 L436F369-G448 CarbonylContact O-C 3.56Å; F369-G448 WeakPolarHBondContact O-CA 3.25Å; L436-G448 PolarHBondContact N-O 3.26Å; L436-G448 PolarHBondContact O-N 3.3Å
449W90.8Very high85.9Confident69 Ų6973.3 Ų73.326%0.26133%0.327SS..EExtended strand (participates in β ladder)trans-135.9171.8176.766.997.8000110.5I171 F368 F369 L371 I434I171-W449 HydrophobicContact CB-CB 4.23Å; I171-W449 HydrophobicContact CB-CG 4.43Å; I171-W449 HydrophobicContact CD1-CB 4.02Å; I171-W449 HydrophobicContact CD1-CD2 4.4Å; I171-W449 HydrophobicContact CD1-CE3 3.85Å; I171-W449 HydrophobicContact CG1-CB 3.9Å; I171-W449 HydrophobicContact CG1-CD2 3.78Å; I171-W449 HydrophobicContact CG1-CE3 3.5Å; I171-W449 HydrophobicContact CG1-CG 3.98Å; I171-W449 HydrophobicContact CG1-CZ3 4.16Å; I171-W449 HydrophobicContact CG2-CB 3.3Å; I171-W449 HydrophobicContact CG2-CD2 4.46Å; I171-W449 HydrophobicContact CG2-CG 3.8Å; F368-W449 CarbonylContact C-O 3.55Å; F368-W449 VanDerWaalsContact CA-O 3.26Å; F368-W449 WeakPolarHBondContact CA-O 3.34Å; F369-W449 HydrophobicContact CB-CD2 4.25Å; F369-W449 HydrophobicContact CB-CZ2 4.06Å; F369-W449 HydrophobicContact CD1-CD2 4.21Å; F369-W449 AromaticContact CD1-CE2 3.91Å; F369-W449 AromaticContact CD1-CE3 3.93Å; F369-W449 HydrophobicContact CD1-CE3 3.93Å; F369-W449 AromaticContact CD1-CH2 3.08Å; F369-W449 HydrophobicContact CD1-CH2 3.08Å; F369-W449 AromaticContact CD1-CZ2 3.35Å; F369-W449 HydrophobicContact CD1-CZ2 3.35Å; F369-W449 AromaticContact CD1-CZ3 3.39Å; F369-W449 HydrophobicContact CD1-CZ3 3.39Å; F369-W449 AromaticContact CE1-CH2 3.31Å; F369-W449 HydrophobicContact CE1-CH2 3.31Å; F369-W449 AromaticContact CE1-CZ2 3.91Å; F369-W449 HydrophobicContact CE1-CZ2 3.91Å; F369-W449 AromaticContact CE1-CZ3 3.78Å; F369-W449 HydrophobicContact CE1-CZ3 3.78Å; F369-W449 HydrophobicContact CG-CH2 4.02Å; F369-W449 AromaticContact CG-CZ2 3.82Å; F369-W449 HydrophobicContact CG-CZ2 3.82Å; F369-W449 HydrophobicContact CG-CZ3 4.49Å; F369-W449 HydrophobicContact CZ-CH2 4.4Å; F369-W449 PolarHBondContact N-O 3.37Å; F369-W449 PolarHBondContact O-N 3.08Å; L371-W449 HydrophobicContact CD2-CE3 4.47Å; L371-W449 HydrophobicContact CD2-CZ3 3.73Å; L371-W449 HydrophobicContact CG-CZ3 4.31Å; I434-W449 CarbonylContact O-C 3.56Å; I434-W449 WeakPolarHBondContact O-CA 3.32Å; I434-W449 WeakPolarHBondContact O-CB 3.43Å
450G90.7Very high85.3Confident1 Ų167.6 Ų67.61%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-157.7177.7170.800000112.7S367 K433 I434S367-G450 CarbonylContact O-C 3.5Å; S367-G450 WeakPolarHBondContact O-CA 3.49Å; K433-G450 CarbonylContact C-O 3.57Å; K433-G450 WeakPolarHBondContact CA-O 3.27Å; I434-G450 WeakPolarHBondContact CG1-O 3.43Å; I434-G450 PolarHBondContact N-O 2.99Å; I434-G450 PolarHBondContact O-N 3.5Å
451E92.1Very high85Confident61 Ų6169.2 Ų69.229%0.28532%0.321SS..EExtended strand (participates in β ladder)trans-124135.6175.4-69.6175.7176.200108.7I366 S367 K433 R453I366-E451 CarbonylContact C-O 3.58Å; I366-E451 VanDerWaalsContact CA-O 3.31Å; I366-E451 WeakPolarHBondContact CA-O 3.27Å; S367-E451 PolarHBondContact N-O 3.04Å; S367-E451 PolarHBondContact O-N 3.01Å; K433-E451 HydrophobicContact CG-CG 4.15Å; E451-R453 PolarHBondContact O-N 3.46Å; E451-R453 IonicContact OE2-NH2 3.87Å
452I92.1Very high84.2Confident0 Ų072.3 Ų72.30%034%0.335CS..EExtended strand (participates in β ladder)trans-72.1119.7177.4-62173.6000108.6L364 I366 I401 T428 D431 E432 I434L364-I452 HydrophobicContact CD1-CD1 3.95Å; L364-I452 HydrophobicContact CD1-CG1 4.27Å; L364-I452 HydrophobicContact CD2-CD1 4.18Å; L364-I452 HydrophobicContact CD2-CG1 4.49Å; L364-I452 HydrophobicContact CD2-CG2 3.95Å; I366-I452 HydrophobicContact CG2-CG1 4.26Å; I401-I452 HydrophobicContact CD1-CD1 4.43Å; I401-I452 HydrophobicContact CG2-CD1 4.2Å; T428-I452 HydrophobicContact CG2-CD1 3.8Å; T428-I452 WeakPolarHBondContact OG1-CD1 3.35Å; D431-I452 WeakPolarHBondContact CA-O 3.11Å; D431-I452 PolarHBondContact N-O 3.45Å; E432-I452 HydrophobicContact CB-CD1 4.29Å; E432-I452 PolarHBondContact O-N 2.64Å; I434-I452 HydrophobicContact CG2-CD1 3.91Å; I434-I452 HydrophobicContact CG2-CG1 3.86Å
453R91.3Very high84.5Confident118 Ų11865.1 Ų65.145%0.44531%0.311SS..EExtended strand (participates in β ladder)trans-95.6-46.9176.3-70-64.4-171.3-169.1-2.4111.8E365 V430 D431 E451E365-R453 PolarHBondContact O-N 3.2Å; V430-R453 VanDerWaalsContact CG1-O 3.25Å; V430-R453 WeakPolarHBondContact CG1-O 3.26Å; D431-R453 IonicContact OD1-NH1 3.45Å; D431-R453 PolarHBondContact OD1-NH1 3.2Å; E451-R453 PolarHBondContact O-N 3.46Å; E451-R453 IonicContact OE2-NH2 3.87Å
454R89.8Confident84.7Confident183 Ų18365.6 Ų65.669%0.69131%0.314SS*.EExtended strand (participates in β ladder)trans-152.4172.2-177.2-63.8-173179-178.5-1.7109.2E365E365-R454 WeakPolarHBondContact CA-O 3.41Å; E365-R454 HydrophobicContact CB-CB 4.26Å; E365-R454 WeakPolarHBondContact CB-O 3.4Å; E365-R454 HydrophobicContact CG-CB 4.47Å; E365-R454 PolarHBondContact N-O 3.49Å; E365-R454 PolarHBondContact O-N 3.03Å
455G86Confident84.8Confident30 Ų3064.8 Ų64.831%0.30931%0.314SS..EExtended strand (participates in β ladder)trans-173.3172173.200000112.4E363E363-G455 CarbonylContact O-C 3.56Å; E363-G455 WeakPolarHBondContact O-CA 3.08Å
456V87.5Confident84.7Confident79 Ų7967.4 Ų67.448%0.47933%0.328SS..EExtended strand (participates in β ladder)trans-92.2121.9174.3-179.70000108.2Y361 V362 E363Y361-V456 WeakPolarHBondContact CA-O 3.05Å; V362-V456 PolarHBondContact N-O 3.39Å; E363-V456 HydrophobicContact CB-CB 4.02Å; E363-V456 HydrophobicContact CB-CG2 4.02Å; E363-V456 HydrophobicContact CG-CB 4.42Å; E363-V456 HydrophobicContact CG-CG2 4.47Å; E363-V456 PolarHBondContact O-N 3.36Å
457T85.7Confident84.6Confident54 Ų5471.5 Ų71.533%0.33135%0.348SS..EExtended strand (participates in β ladder)trans-101.8148.8-177.6560000111.8E359 I360 Y361E359-T457 HydrophobicContact CB-CG2 3.88Å; E359-T457 WeakPolarHBondContact OE2-CB 3.42Å; E359-T457 VanDerWaalsContact OE2-CG2 3.25Å; E359-T457 WeakPolarHBondContact OE2-CG2 3.33Å; E359-T457 PolarHBondContact OE2-OG1 3.1Å; E359-T457 VanDerWaalsContact OE2-OG1 3.12Å; I360-T457 CarbonylContact O-C 3.55Å; I360-T457 WeakPolarHBondContact O-CA 2.82Å; I360-T457 WeakPolarHBondContact O-CB 3.44Å; Y361-T457 HydrophobicContact CD1-CG2 3.37Å; Y361-T457 HydrophobicContact CD2-CG2 4.18Å; Y361-T457 HydrophobicContact CE1-CG2 3.19Å; Y361-T457 HydrophobicContact CE2-CG2 4.03Å; Y361-T457 HydrophobicContact CG-CG2 3.89Å
458I82.9Confident84.3Confident40 Ų4076.3 Ų76.321%0.20537%0.371CS..EExtended strand (participates in β ladder)trans-106133.5170.8-72.7-179.6000108.1V302 I360 V362V302-I458 HydrophobicContact CB-CD1 3.96Å; V302-I458 VanDerWaalsContact O-CD1 3.27Å; V302-I458 WeakPolarHBondContact O-CD1 3.42Å; I360-I458 PolarHBondContact O-N 3.26Å; V362-I458 HydrophobicContact CB-CD1 4.48Å; V362-I458 HydrophobicContact CG2-CD1 3.08Å; V362-I458 HydrophobicContact CG2-CG1 3.51Å
459Q78.9Confident84Confident173 Ų17381.7 Ų81.781%0.80840%0.398SS*.PPolyproline II helixtrans-75.2127.3167-68.8-170.2-600109.8V461Q459-V461 PolarHBondContact O-N 3.17Å
460P73Confident83.4Confident42 Ų4282.7 Ų82.727%0.27341%0.408SS..PPolyproline II helixtrans-62.8136.4176.224.1-30.8000110.5C304 P306 I360C304-P460 WeakPolarHBondContact O-CA 3.48Å; P306-P460 HydrophobicContact CG-CB 4.1Å; I360-P460 HydrophobicContact CD1-CB 4.33Å
461V74.8Confident82.8Confident71 Ų7189.5 Ų89.543%0.4344%0.442SS..PPolyproline II helixtrans-78.9120.4168.2-175.50000106.6C304 R305 P306 Q459C304-V461 PolarHBondContact O-N 3.03Å; R305-V461 HydrophobicContact CG-CB 4.32Å; P306-V461 VanDerWaalsContact CD-O 3.31Å; P306-V461 WeakPolarHBondContact CD-O 3.33Å; Q459-V461 PolarHBondContact O-N 3.17Å
462Q59.7Low82Confident223 Ų22392.1 Ų92.1100%1.04246%0.456SS*.  trans-64.40-179.7-77.5-173.2-10.200112.8

Retrieved 462 of 462 residues in 157.3 ms (Link to these results)

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