A0A096ND77_PAPAN Loading...

DDB1 and CUL4 associated factor 4 like 1

AlphaFold DB , UniProt , Accession A0A096ND77, Species PAPAN (Papio anubis, Olive baboon), Gene DCAF4L1, Length 396 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
1M76.4Confident82.6Confident83 Ų8388.3 Ų88.341%0.40943%0.433SS..  0-61.50-177.6-101.6-74.400112.7A3 E4 R5 V312 E314M1-A3 PolarHBondContact O-N 3.23Å; M1-E4 PolarHBondContact O-N 3.18Å; M1-R5 PolarHBondContact O-N 3.02Å; M1-V312 HydrophobicContact CB-CG1 4.35Å; M1-V312 HydrophobicContact CG-CG1 3.65Å; M1-E314 HydrophobicContact CB-CG 4.15Å; M1-E314 WeakPolarHBondContact CB-OE1 3.27Å; M1-E314 HydrophobicContact CE-CG 4.27Å; M1-E314 WeakPolarHBondContact CE-OE1 3.48Å; M1-E314 HydrophobicContact CG-CG 4.05Å
2E78.9Confident82.5Confident141 Ų14182.7 Ų82.766%0.65941%0.405SS*.Hα-helixtrans-62.2-41-174.5-167.7170.5-164.500114.7E4 R5 L6E2-E4 PolarHBondContact O-N 3.31Å; E2-R5 WeakPolarHBondContact O-CB 3.46Å; E2-R5 PolarHBondContact O-N 3.3Å; E2-L6 HydrophobicContact CG-CD1 4.39Å; E2-L6 WeakPolarHBondContact O-CG 3.44Å; E2-L6 PolarHBondContact O-N 2.82Å
3A82.5Confident81.9Confident80 Ų8080.2 Ų80.266%0.66141%0.406SS*.Hα-helixtrans-63.3-39.5176.600000113.2M1 L6 R7M1-A3 PolarHBondContact O-N 3.23Å; A3-L6 PolarHBondContact O-N 2.99Å; A3-R7 WeakPolarHBondContact O-CB 3.38Å; A3-R7 PolarHBondContact O-N 2.68Å
4E83.3Confident81.2Confident116 Ų11683.9 Ų83.954%0.54242%0.418SS..Hα-helixtrans-67.5-43.3177.7-177.5175.4-170.800111.1M1 E2 R7 L8 V312M1-E4 PolarHBondContact O-N 3.18Å; E2-E4 PolarHBondContact O-N 3.31Å; E4-R7 WeakPolarHBondContact O-CB 3.43Å; E4-R7 PolarHBondContact O-N 2.95Å; E4-L8 WeakPolarHBondContact O-CG 3.21Å; E4-L8 PolarHBondContact O-N 2.83Å; E4-V312 HydrophobicContact CG-CG2 4.3Å
5R81.7Confident80.1Confident35 Ų3585.7 Ų85.713%0.13243%0.425CS..Hα-helixtrans-56.8-50172.3167.4-169.9167.714311.6112M1 E2 R7 L8 L9 V312 D335 Y337 A358M1-R5 PolarHBondContact O-N 3.02Å; E2-R5 WeakPolarHBondContact O-CB 3.46Å; E2-R5 PolarHBondContact O-N 3.3Å; R5-R7 VanDerWaalsContact C-N 3.31Å; R5-R7 PolarHBondContact O-N 2.81Å; R5-L8 PolarHBondContact O-N 2.87Å; R5-L9 HydrophobicContact CG-CD1 4.13Å; R5-L9 WeakPolarHBondContact O-CG 3.2Å; R5-L9 PolarHBondContact O-N 3.03Å; R5-V312 HydrophobicContact CB-CB 4.48Å; R5-V312 HydrophobicContact CB-CG2 4.24Å; R5-D335 PolarHBondContact NH1-O 3.44Å; R5-D335 PolarHBondContact NH2-O 3.15Å; R5-D335 VanDerWaalsContact NH2-O 3.12Å; R5-Y337 HydrophobicContact CG-CE2 4.4Å; R5-Y337 VanDerWaalsContact CZ-CE2 3.47Å; R5-Y337 PolarHBondContact NH2-OH 3.12Å; R5-A358 VanDerWaalsContact CZ-CB 3.47Å
6L83.8Confident78.8Confident92 Ų9288.3 Ų88.348%0.48243%0.433SS..Hα-helixtrans-61.6-41.4-180-72.5172.8000111.4E2 A3 L8 L9 E10E2-L6 HydrophobicContact CG-CD1 4.39Å; E2-L6 WeakPolarHBondContact O-CG 3.44Å; E2-L6 PolarHBondContact O-N 2.82Å; A3-L6 PolarHBondContact O-N 2.99Å; L6-L8 PolarHBondContact O-N 3.41Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-E10 WeakPolarHBondContact O-CG 3.4Å; L6-E10 PolarHBondContact O-N 2.87Å
7R87.6Confident77.1Confident161 Ų16194.4 Ų94.461%0.60846%0.457SS*.Hα-helixtrans-59.3-47.2175179.8-175164-175.1-4.7112.1A3 E4 R5 L9 E10 E11A3-R7 WeakPolarHBondContact O-CB 3.38Å; A3-R7 PolarHBondContact O-N 2.68Å; E4-R7 WeakPolarHBondContact O-CB 3.43Å; E4-R7 PolarHBondContact O-N 2.95Å; R5-R7 VanDerWaalsContact C-N 3.31Å; R5-R7 PolarHBondContact O-N 2.81Å; R7-L9 VanDerWaalsContact C-N 3.31Å; R7-L9 PolarHBondContact O-N 3.45Å; R7-E10 WeakPolarHBondContact O-CB 3.21Å; R7-E10 PolarHBondContact O-N 2.9Å; R7-E11 IonicContact CZ-OE1 3.8Å; R7-E11 IonicContact NE-OE1 3.3Å; R7-E11 PolarHBondContact NE-OE1 2.9Å; R7-E11 IonicContact NH2-OE1 3.79Å; R7-E11 PolarHBondContact NH2-OE1 2.89Å; R7-E11 WeakPolarHBondContact O-CG 3.32Å; R7-E11 PolarHBondContact O-N 3.49Å
8L84Confident75.5Confident39 Ų3995.5 Ų95.520%0.20447%0.47CS..Hα-helixtrans-61.1-41.2178-73.3170.2000111.6E4 R5 L6 E10 E11 E12 G310 V312E4-L8 WeakPolarHBondContact O-CG 3.21Å; E4-L8 PolarHBondContact O-N 2.83Å; R5-L8 PolarHBondContact O-N 2.87Å; L6-L8 PolarHBondContact O-N 3.41Å; L8-E10 VanDerWaalsContact C-N 3.32Å; L8-E10 PolarHBondContact O-N 2.95Å; L8-E11 PolarHBondContact O-N 2.63Å; L8-E12 WeakPolarHBondContact O-CB 3.39Å; L8-E12 VanDerWaalsContact O-CG 3.27Å; L8-E12 WeakPolarHBondContact O-CG 3.36Å; L8-E12 PolarHBondContact O-N 2.87Å; L8-G310 WeakPolarHBondContact CD1-O 3.46Å; L8-V312 HydrophobicContact CD1-CG2 3.52Å
9L82.9Confident73.9Confident35 Ų3592.9 Ų92.918%0.18347%0.465CS..Hα-helixtrans-64.2-36.3176.6-67.7167.3000112.7R5 L6 R7 A13 Y337R5-L9 HydrophobicContact CG-CD1 4.13Å; R5-L9 WeakPolarHBondContact O-CG 3.2Å; R5-L9 PolarHBondContact O-N 3.03Å; L6-L9 PolarHBondContact O-N 3.11Å; R7-L9 VanDerWaalsContact C-N 3.31Å; R7-L9 PolarHBondContact O-N 3.45Å; L9-A13 VanDerWaalsContact O-CB 3.25Å; L9-A13 WeakPolarHBondContact O-CB 3.13Å; L9-A13 PolarHBondContact O-N 3.32Å; L9-Y337 HydrophobicContact CD1-CE1 4.29Å; L9-Y337 HydrophobicContact CD1-CE2 3.74Å; L9-Y337 VanDerWaalsContact CD1-CZ 3.48Å; L9-Y337 WeakPolarHBondContact CD1-OH 3.49Å; L9-Y337 HydrophobicContact CD2-CD1 4.06Å; L9-Y337 HydrophobicContact CD2-CD2 4.42Å; L9-Y337 HydrophobicContact CD2-CE1 3.6Å; L9-Y337 HydrophobicContact CD2-CE2 3.99Å; L9-Y337 HydrophobicContact CD2-CG 4.47Å; L9-Y337 HydrophobicContact CG-CE2 4.35Å
10E83.9Confident72.8Confident117 Ų11796.8 Ų96.855%0.54747%0.474SS..Hα-helixtrans-66.2-41.3173-73.1-177.9-172.400112.2L6 R7 L8 A13 K14L6-E10 WeakPolarHBondContact O-CG 3.4Å; L6-E10 PolarHBondContact O-N 2.87Å; R7-E10 WeakPolarHBondContact O-CB 3.21Å; R7-E10 PolarHBondContact O-N 2.9Å; L8-E10 VanDerWaalsContact C-N 3.32Å; L8-E10 PolarHBondContact O-N 2.95Å; E10-A13 PolarHBondContact O-N 3.19Å; E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.08Å
11E83.8Confident71.1Confident72 Ų72101.7 Ų101.734%0.33650%0.498SS..Hα-helixtrans-63.6-45.4175.6-70.6176.2-172.600111R7 L8 A13 K14 Q15R7-E11 IonicContact CZ-OE1 3.8Å; R7-E11 IonicContact NE-OE1 3.3Å; R7-E11 PolarHBondContact NE-OE1 2.9Å; R7-E11 IonicContact NH2-OE1 3.79Å; R7-E11 PolarHBondContact NH2-OE1 2.89Å; R7-E11 WeakPolarHBondContact O-CG 3.32Å; R7-E11 PolarHBondContact O-N 3.49Å; L8-E11 PolarHBondContact O-N 2.63Å; E11-A13 PolarHBondContact O-N 3.11Å; E11-K14 PolarHBondContact O-N 2.8Å; E11-Q15 PolarHBondContact O-N 2.68Å
12E81.1Confident69.9Low21 Ų21101.5 Ų101.510%0.09852%0.517CS..Hα-helixtrans-61.2-41.9174-71.1177.9-16200111.9L8 K14 Q15 K16 R339 L348 T351L8-E12 WeakPolarHBondContact O-CB 3.39Å; L8-E12 VanDerWaalsContact O-CG 3.27Å; L8-E12 WeakPolarHBondContact O-CG 3.36Å; L8-E12 PolarHBondContact O-N 2.87Å; E12-K14 PolarHBondContact O-N 3.32Å; E12-Q15 PolarHBondContact O-N 2.9Å; E12-K16 PolarHBondContact O-N 3.12Å; E12-R339 IonicContact OE1-CZ 3.55Å; E12-R339 IonicContact OE1-NE 3.74Å; E12-R339 PolarHBondContact OE1-NE 3.24Å; E12-R339 IonicContact OE1-NH2 3.85Å; E12-R339 PolarHBondContact OE1-NH2 2.71Å; E12-L348 HydrophobicContact CG-CD2 3.81Å; E12-T351 VanDerWaalsContact CD-OG1 3.31Å; E12-T351 WeakPolarHBondContact OE2-CB 3.39Å; E12-T351 WeakPolarHBondContact OE2-CG2 3.48Å; E12-T351 PolarHBondContact OE2-OG1 2.96Å
13A74.6Confident68.9Low51 Ų5197.6 Ų97.642%0.42150%0.498SS..Hα-helixtrans-67.1-35.217800000112.5L9 E10 E11 K16 K17L9-A13 VanDerWaalsContact O-CB 3.25Å; L9-A13 WeakPolarHBondContact O-CB 3.13Å; L9-A13 PolarHBondContact O-N 3.32Å; E10-A13 PolarHBondContact O-N 3.19Å; E11-A13 PolarHBondContact O-N 3.11Å; A13-K16 PolarHBondContact O-N 3.38Å; A13-K17 PolarHBondContact O-N 2.81Å
14K71.7Confident68.2Low131 Ų13198.2 Ų98.257%0.5749%0.49SS*.Hα-helixtrans-64.5-41.1172.3-73.6165.8-174.21660110.9E10 E11 E12 K17E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.08Å; E11-K14 PolarHBondContact O-N 2.8Å; E12-K14 PolarHBondContact O-N 3.32Å; K14-K17 PolarHBondContact O-N 2.83Å
15Q65.5Low67.5Low112 Ų11295.8 Ų95.852%0.52349%0.49SS..Hα-helixtrans-63.2-40175.1-71.9175.9-1.700112.4E11 E12 K17 V18 A19E11-Q15 PolarHBondContact O-N 2.68Å; E12-Q15 PolarHBondContact O-N 2.9Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 2.8Å; Q15-V18 WeakPolarHBondContact O-CA 3.33Å; Q15-V18 WeakPolarHBondContact O-CB 3.36Å; Q15-V18 PolarHBondContact O-N 2.91Å; Q15-A19 PolarHBondContact O-N 2.9Å; Q15-A19 VanDerWaalsContact O-N 3.14Å
16K58.4Low67.1Low127 Ų12797.5 Ų97.555%0.55251%0.507SS*.Hα-helixtrans-60.5-35.7175.3-78.8-178.4178.5173.40113.9E12 A13 V18 A19E12-K16 PolarHBondContact O-N 3.12Å; A13-K16 PolarHBondContact O-N 3.38Å; K16-V18 PolarHBondContact O-N 3.03Å; K16-A19 PolarHBondContact O-N 2.85Å
17K50.3Low66.8Low192 Ų19295.4 Ų95.484%0.83550%0.5SS*.Hα-helixtrans-65.5-23.1174.7-71.8-174.8178.7-178.70112.6A13 K14 Q15A13-K17 PolarHBondContact O-N 2.81Å; K14-K17 PolarHBondContact O-N 2.83Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 2.8Å
18V47.9Very low66.3Low114 Ų11488.3 Ų88.369%0.69147%0.474SS*.Hα-helixtrans-86.8-24177.3-176.70000111.5Q15 K16 R20Q15-V18 WeakPolarHBondContact O-CA 3.33Å; Q15-V18 WeakPolarHBondContact O-CB 3.36Å; Q15-V18 PolarHBondContact O-N 2.91Å; K16-V18 PolarHBondContact O-N 3.03Å; V18-R20 WeakPolarHBondContact O-CG 3.14Å; V18-R20 PolarHBondContact O-N 3.46Å
19A46.6Very low66Low46 Ų4690.2 Ų90.238%0.3848%0.484SS..SBendtrans-78.563.5174.800000113.2Q15 K16Q15-A19 PolarHBondContact O-N 2.9Å; Q15-A19 VanDerWaalsContact O-N 3.14Å; K16-A19 PolarHBondContact O-N 2.85Å
20R51.6Low65.7Low171 Ų17197.1 Ų97.165%0.64551%0.508SS*.  trans34.7107.5144.6-55.7172.1178.1166.7-0.5119.4V18 G22 F23V18-R20 WeakPolarHBondContact O-CG 3.14Å; V18-R20 PolarHBondContact O-N 3.46Å; R20-G22 PolarHBondContact O-N 2.9Å; R20-F23 HydrophobicContact CB-CD2 3.84Å; R20-F23 HydrophobicContact CB-CE2 3.51Å; R20-F23 HydrophobicContact CB-CZ 4.21Å; R20-F23 HydrophobicContact CG-CE2 4.2Å; R20-F23 HydrophobicContact CG-CZ 4.47Å; R20-F23 WeakPolarHBondContact O-CD2 3.06Å
21M36.7Very low65.6Low200 Ų20096.5 Ų96.599%0.98550%0.503SS*.THydrogen-bonded Turntrans-57.2127.2145-71.6-151.3-68.600109.8
22G50.8Low65.3Low78 Ų7894.9 Ų94.980%0.80450%0.5SS*.THydrogen-bonded Turntrans110.126.2170.500000117.4R20 N24R20-G22 PolarHBondContact O-N 2.9Å; G22-N24 PolarHBondContact O-N 3.35Å
23F57.9Low65.3Low60 Ų60100.7 Ų100.726%0.26353%0.527SS..  trans-73.9117.9172.8-84.8-80.6000112.3R20 M28 L45 L49R20-F23 HydrophobicContact CB-CD2 3.84Å; R20-F23 HydrophobicContact CB-CE2 3.51Å; R20-F23 HydrophobicContact CB-CZ 4.21Å; R20-F23 HydrophobicContact CG-CE2 4.2Å; R20-F23 HydrophobicContact CG-CZ 4.47Å; R20-F23 WeakPolarHBondContact O-CD2 3.06Å; F23-M28 HydrophobicContact CD1-SD 4.19Å; F23-M28 HydrophobicContact CE1-SD 4.43Å; F23-L45 HydrophobicContact CE1-CD2 4.03Å; F23-L45 HydrophobicContact CZ-CD2 4.29Å; F23-L49 HydrophobicContact CB-CD1 4.24Å; F23-L49 HydrophobicContact CB-CD2 3.37Å; F23-L49 HydrophobicContact CB-CG 4.4Å; F23-L49 HydrophobicContact CD1-CD2 4.1Å; F23-L49 HydrophobicContact CD2-CD2 4.03Å; F23-L49 HydrophobicContact CG-CD2 3.63Å
24N67.1Low65.8Low92 Ų92103.9 Ų103.949%0.49254%0.537SS..  trans-110.6116.9174.6-176-13.7000110G22 S26 S27 M28G22-N24 PolarHBondContact O-N 3.35Å; N24-S26 PolarHBondContact ND2-OG 3.02Å; N24-S26 VanDerWaalsContact ND2-OG 3.14Å; N24-S26 PolarHBondContact O-N 3.41Å; N24-S26 WeakPolarHBondContact OD1-CB 3.2Å; N24-S26 PolarHBondContact OD1-N 2.82Å; N24-S26 PolarHBondContact OD1-OG 2.99Å; N24-S27 WeakPolarHBondContact O-CB 3.3Å; N24-S27 PolarHBondContact O-N 3.07Å; N24-M28 PolarHBondContact O-N 3.29Å
25A69.1Low66.3Low65 Ų65100.6 Ų100.654%0.53754%0.54SS..Hα-helixtrans-54.7-36.9179.200000112.6S27 M28 L29A25-S27 VanDerWaalsContact C-N 3.32Å; A25-S27 PolarHBondContact O-N 3.14Å; A25-M28 PolarHBondContact O-N 3.24Å; A25-L29 PolarHBondContact O-N 3.22Å
26S74.4Confident67Low71 Ų71102.7 Ų102.750%0.49755%0.548SS..Hα-helixtrans-66.6-32.4176.968.20000113N24 R30N24-S26 PolarHBondContact ND2-OG 3.02Å; N24-S26 VanDerWaalsContact ND2-OG 3.14Å; N24-S26 PolarHBondContact O-N 3.41Å; N24-S26 WeakPolarHBondContact OD1-CB 3.2Å; N24-S26 PolarHBondContact OD1-N 2.82Å; N24-S26 PolarHBondContact OD1-OG 2.99Å; S26-R30 PolarHBondContact O-N 3.49Å; S26-R30 VanDerWaalsContact O-N 3.1Å
27S76.8Confident67.9Low48 Ų4898.5 Ų98.534%0.33653%0.531SS..Hα-helixtrans-70.4-36.6174.6175.80000111.7N24 A25 R30 K31N24-S27 WeakPolarHBondContact O-CB 3.3Å; N24-S27 PolarHBondContact O-N 3.07Å; A25-S27 VanDerWaalsContact C-N 3.32Å; A25-S27 PolarHBondContact O-N 3.14Å; S27-R30 PolarHBondContact O-N 2.92Å; S27-K31 WeakPolarHBondContact O-CG 3.31Å; S27-K31 PolarHBondContact O-N 2.82Å
28M76.9Confident69.5Low13 Ų1393.7 Ų93.76%0.06452%0.515CS..Hα-helixtrans-69.3-42.7177.2-61.4-156.4-50.500112F23 N24 A25 R30 K31 S32 Y42 L45 L49F23-M28 HydrophobicContact CD1-SD 4.19Å; F23-M28 HydrophobicContact CE1-SD 4.43Å; N24-M28 PolarHBondContact O-N 3.29Å; A25-M28 PolarHBondContact O-N 3.24Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 2.93Å; M28-K31 PolarHBondContact O-N 3Å; M28-S32 WeakPolarHBondContact O-CB 3.37Å; M28-S32 PolarHBondContact O-N 2.67Å; M28-Y42 HydrophobicContact CB-CD2 4.41Å; M28-Y42 HydrophobicContact CB-CE2 4.12Å; M28-L45 HydrophobicContact CE-CB 3.97Å; M28-L45 HydrophobicContact SD-CB 3.5Å; M28-L45 WeakPolarHBondContact SD-CB 3.46Å; M28-L45 HydrophobicContact SD-CD1 3.96Å; M28-L45 HydrophobicContact SD-CG 4.28Å; M28-L49 HydrophobicContact CE-CD1 3.3Å; M28-L49 HydrophobicContact CE-CG 4.24Å; M28-L49 HydrophobicContact SD-CD1 4.09Å
29L77.3Confident71.1Confident79 Ų7994.1 Ų94.141%0.41452%0.517SS..Hα-helixtrans-59.7-44.6175.3-174.667.7000110.5A25 K31 S32 Q33A25-L29 PolarHBondContact O-N 3.22Å; L29-K31 PolarHBondContact O-N 2.77Å; L29-S32 PolarHBondContact O-N 2.76Å; L29-Q33 WeakPolarHBondContact O-CB 3.43Å; L29-Q33 VanDerWaalsContact O-CG 3.31Å; L29-Q33 WeakPolarHBondContact O-CG 3.38Å; L29-Q33 PolarHBondContact O-N 2.92Å
30R78.1Confident72.8Confident179 Ų17994.8 Ų94.868%0.67552%0.516SS*.Hα-helixtrans-59.2-46.5173.2-98.6-177.7174.1174.8-1.1112.7S26 S27 M28 S32 Q33 L34S26-R30 PolarHBondContact O-N 3.49Å; S26-R30 VanDerWaalsContact O-N 3.1Å; S27-R30 PolarHBondContact O-N 2.92Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 2.93Å; R30-S32 VanDerWaalsContact C-N 3.3Å; R30-S32 PolarHBondContact O-N 2.83Å; R30-Q33 PolarHBondContact O-N 2.81Å; R30-L34 WeakPolarHBondContact O-CB 3.12Å; R30-L34 WeakPolarHBondContact O-CD1 3.37Å; R30-L34 WeakPolarHBondContact O-CG 3.36Å; R30-L34 PolarHBondContact O-N 2.83Å
31K80.1Confident74.2Confident104 Ų10487.9 Ų87.945%0.45250%0.495SS..Hα-helixtrans-62.9-37.3178.6-76.2176.9-179.9-178.60112.3S27 M28 L29 G35 F36 L37S27-K31 WeakPolarHBondContact O-CG 3.31Å; S27-K31 PolarHBondContact O-N 2.82Å; M28-K31 PolarHBondContact O-N 3Å; L29-K31 PolarHBondContact O-N 2.77Å; K31-G35 PolarHBondContact O-N 2.8Å; K31-F36 HydrophobicContact CB-CB 4.31Å; K31-F36 WeakPolarHBondContact O-CB 3.32Å; K31-F36 PolarHBondContact O-N 2.94Å; K31-L37 HydrophobicContact CB-CD1 3.8Å; K31-L37 HydrophobicContact CB-CG 4.1Å
32S79.1Confident76.4Confident38 Ų3881.6 Ų81.627%0.26646%0.46SS..Hα-helixtrans-65.6-48.9173.6177.90000111.7M28 L29 R30 L34 G35M28-S32 WeakPolarHBondContact O-CB 3.37Å; M28-S32 PolarHBondContact O-N 2.67Å; L29-S32 PolarHBondContact O-N 2.76Å; R30-S32 VanDerWaalsContact C-N 3.3Å; R30-S32 PolarHBondContact O-N 2.83Å; S32-L34 PolarHBondContact O-N 2.98Å; S32-G35 PolarHBondContact O-N 2.91Å
33Q81.4Confident77.8Confident143 Ų14379.2 Ų79.267%0.66843%0.431SS*.Hα-helixtrans-60.1-32.1176.5-73.9174.6-18.400113L29 R30 G35L29-Q33 WeakPolarHBondContact O-CB 3.43Å; L29-Q33 VanDerWaalsContact O-CG 3.31Å; L29-Q33 WeakPolarHBondContact O-CG 3.38Å; L29-Q33 PolarHBondContact O-N 2.92Å; R30-Q33 PolarHBondContact O-N 2.81Å; Q33-G35 VanDerWaalsContact C-N 3.28Å
34L84.8Confident79.1Confident119 Ų11979.6 Ų79.662%0.62343%0.431SS*.THydrogen-bonded Turntrans-84.53176-66.5169.8000113.4R30 S32 F36R30-L34 WeakPolarHBondContact O-CB 3.12Å; R30-L34 WeakPolarHBondContact O-CD1 3.37Å; R30-L34 WeakPolarHBondContact O-CG 3.36Å; R30-L34 PolarHBondContact O-N 2.83Å; S32-L34 PolarHBondContact O-N 2.98Å; L34-F36 VanDerWaalsContact C-N 3.29Å; L34-F36 HydrophobicContact CB-CD2 3.51Å; L34-F36 HydrophobicContact CB-CE2 3.6Å; L34-F36 HydrophobicContact CD1-CD2 4.34Å; L34-F36 HydrophobicContact CD1-CE2 4.04Å; L34-F36 HydrophobicContact CG-CE2 4.41Å; L34-F36 PolarHBondContact O-N 2.88Å
35G81Confident79.8Confident62 Ų6276.4 Ų76.464%0.63941%0.414SS*.THydrogen-bonded Turntrans76.16.817700000115.5K31 S32 Q33 L37K31-G35 PolarHBondContact O-N 2.8Å; S32-G35 PolarHBondContact O-N 2.91Å; Q33-G35 VanDerWaalsContact C-N 3.28Å; G35-L37 VanDerWaalsContact C-N 3.26Å; G35-L37 PolarHBondContact O-N 3.31Å
36F79.8Confident80.4Confident156 Ų15674.5 Ų74.568%0.68440%0.398SS*.SBendtrans-74.8-14.7177.9-66.2-69.2000113.5K31 L34K31-F36 HydrophobicContact CB-CB 4.31Å; K31-F36 WeakPolarHBondContact O-CB 3.32Å; K31-F36 PolarHBondContact O-N 2.94Å; L34-F36 VanDerWaalsContact C-N 3.29Å; L34-F36 HydrophobicContact CB-CD2 3.51Å; L34-F36 HydrophobicContact CB-CE2 3.6Å; L34-F36 HydrophobicContact CD1-CD2 4.34Å; L34-F36 HydrophobicContact CD1-CE2 4.04Å; L34-F36 HydrophobicContact CG-CE2 4.41Å; L34-F36 PolarHBondContact O-N 2.88Å
37L78.9Confident80.8Confident38 Ų3871.5 Ų71.520%0.19938%0.376CS..SBendtrans-123.9128.5177.3-65.7171.6000109.1K31 G35 Y42 L45K31-L37 HydrophobicContact CB-CD1 3.8Å; K31-L37 HydrophobicContact CB-CG 4.1Å; G35-L37 VanDerWaalsContact C-N 3.26Å; G35-L37 PolarHBondContact O-N 3.31Å; L37-Y42 HydrophobicContact CD1-CD2 4.4Å; L37-L45 HydrophobicContact CD1-CD1 4.25Å; L37-L45 HydrophobicContact CD2-CD1 4.18Å
38N83.6Confident81.2Confident92 Ų9271.1 Ų71.149%0.49237%0.369SS..  trans-70.6161.9166.468.45.5000110.1T40 S41 Y42N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact ND2-OG1 3.43Å; N38-T40 PolarHBondContact O-N 3.09Å; N38-T40 PolarHBondContact OD1-OG1 3.14Å; N38-S41 PolarHBondContact O-N 3.24Å; N38-S41 VanDerWaalsContact O-N 3.16Å; N38-S41 WeakPolarHBondContact OD1-CA 3.08Å; N38-S41 WeakPolarHBondContact OD1-CB 3.3Å; N38-S41 PolarHBondContact OD1-N 3.32Å; N38-S41 PolarHBondContact OD1-OG 2.85Å; N38-Y42 PolarHBondContact O-N 3.45Å
39V81Confident81.4Confident122 Ų12272.1 Ų72.174%0.73938%0.375SS*.Hα-helixtrans-56.2-41.8-176.1179.10000111.7Y42 S43V39-Y42 PolarHBondContact O-N 3.32Å; V39-S43 WeakPolarHBondContact O-CB 3.39Å; V39-S43 PolarHBondContact O-N 3.16Å; V39-S43 PolarHBondContact O-OG 3.48Å
40T81.6Confident81.5Confident60 Ų6071.7 Ų71.737%0.36837%0.368SS..Hα-helixtrans-67.8-38.3179.137.90000113.5N38 S43 R44 H344N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact ND2-OG1 3.43Å; N38-T40 PolarHBondContact O-N 3.09Å; N38-T40 PolarHBondContact OD1-OG1 3.14Å; T40-S43 PolarHBondContact O-OG 2.81Å; T40-S43 VanDerWaalsContact O-OG 3.06Å; T40-R44 VanDerWaalsContact O-CB 3.28Å; T40-R44 WeakPolarHBondContact O-CB 3.29Å; T40-R44 PolarHBondContact O-N 2.61Å; T40-H344 HydrophobicContact CG2-CB 4.08Å
41S81.7Confident81.8Confident27 Ų2763.2 Ų63.219%0.18934%0.336CS..Hα-helixtrans-71.2-37.2175.4-61.30000111.2N38 L45N38-S41 PolarHBondContact O-N 3.24Å; N38-S41 VanDerWaalsContact O-N 3.16Å; N38-S41 WeakPolarHBondContact OD1-CA 3.08Å; N38-S41 WeakPolarHBondContact OD1-CB 3.3Å; N38-S41 PolarHBondContact OD1-N 3.32Å; N38-S41 PolarHBondContact OD1-OG 2.85Å; S41-L45 WeakPolarHBondContact O-CB 3.34Å; S41-L45 VanDerWaalsContact O-CG 3.23Å; S41-L45 WeakPolarHBondContact O-CG 3.35Å; S41-L45 PolarHBondContact O-N 3.36Å
42Y82.5Confident81.8Confident68 Ų6861.5 Ų61.527%0.26734%0.337SS..Hα-helixtrans-64.8-48.4174.7178.3-96.9000111.3M28 L37 N38 V39 R44 L45 A46M28-Y42 HydrophobicContact CB-CD2 4.41Å; M28-Y42 HydrophobicContact CB-CE2 4.12Å; L37-Y42 HydrophobicContact CD1-CD2 4.4Å; N38-Y42 PolarHBondContact O-N 3.45Å; V39-Y42 PolarHBondContact O-N 3.32Å; Y42-R44 VanDerWaalsContact C-N 3.34Å; Y42-R44 PolarHBondContact O-N 2.85Å; Y42-L45 PolarHBondContact O-N 2.78Å; Y42-A46 WeakPolarHBondContact O-CB 3.23Å; Y42-A46 PolarHBondContact O-N 2.79Å
43S80.4Confident81.7Confident28 Ų2863 Ų6320%0.19635%0.347CS..Hα-helixtrans-62.1-42.2178.467.30000111.6V39 T40 A46 N47V39-S43 WeakPolarHBondContact O-CB 3.39Å; V39-S43 PolarHBondContact O-N 3.16Å; V39-S43 PolarHBondContact O-OG 3.48Å; T40-S43 PolarHBondContact O-OG 2.81Å; T40-S43 VanDerWaalsContact O-OG 3.06Å; S43-A46 PolarHBondContact O-N 2.94Å; S43-N47 WeakPolarHBondContact O-CB 3.25Å; S43-N47 VanDerWaalsContact O-CG 3.3Å; S43-N47 PolarHBondContact O-N 2.88Å
44R84.6Confident81.7Confident67 Ų6756.4 Ų56.425%0.25332%0.316SS..Hα-helixtrans-56.8-53.4173.7178.417862.6-161.23.5111.9T40 Y42 A46 N47 E48 D345 L349T40-R44 VanDerWaalsContact O-CB 3.28Å; T40-R44 WeakPolarHBondContact O-CB 3.29Å; T40-R44 PolarHBondContact O-N 2.61Å; Y42-R44 VanDerWaalsContact C-N 3.34Å; Y42-R44 PolarHBondContact O-N 2.85Å; R44-A46 VanDerWaalsContact C-N 3.31Å; R44-A46 PolarHBondContact O-N 2.79Å; R44-N47 PolarHBondContact O-N 2.61Å; R44-E48 WeakPolarHBondContact O-CB 3.24Å; R44-E48 PolarHBondContact O-N 2.82Å; R44-D345 VanDerWaalsContact CD-OD2 3.24Å; R44-D345 WeakPolarHBondContact CD-OD2 3.33Å; R44-D345 IonicContact CZ-OD2 3.32Å; R44-D345 IonicContact NE-OD2 3.56Å; R44-D345 IonicContact NH1-OD2 3.12Å; R44-D345 PolarHBondContact NH1-OD2 2.94Å; R44-L349 HydrophobicContact CG-CD2 3.97Å
45L82.4Confident81.5Confident26 Ų2657.1 Ų57.114%0.13632%0.316CS..Hα-helixtrans-64.6-37.1-177.9-69.5170.9000111.8F23 M28 L37 S41 Y42 E48 L49F23-L45 HydrophobicContact CE1-CD2 4.03Å; F23-L45 HydrophobicContact CZ-CD2 4.29Å; M28-L45 HydrophobicContact CE-CB 3.97Å; M28-L45 HydrophobicContact SD-CB 3.5Å; M28-L45 WeakPolarHBondContact SD-CB 3.46Å; M28-L45 HydrophobicContact SD-CD1 3.96Å; M28-L45 HydrophobicContact SD-CG 4.28Å; L37-L45 HydrophobicContact CD1-CD1 4.25Å; L37-L45 HydrophobicContact CD2-CD1 4.18Å; S41-L45 WeakPolarHBondContact O-CB 3.34Å; S41-L45 VanDerWaalsContact O-CG 3.23Å; S41-L45 WeakPolarHBondContact O-CG 3.35Å; S41-L45 PolarHBondContact O-N 3.36Å; Y42-L45 PolarHBondContact O-N 2.78Å; L45-E48 PolarHBondContact O-N 2.87Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.26Å
46A81.7Confident81.8Confident24 Ų2461 Ų6120%0.19831%0.311CS..Hα-helixtrans-62.5-44.4174.600000111.4Y42 S43 R44 L49 R50Y42-A46 WeakPolarHBondContact O-CB 3.23Å; Y42-A46 PolarHBondContact O-N 2.79Å; S43-A46 PolarHBondContact O-N 2.94Å; R44-A46 VanDerWaalsContact C-N 3.31Å; R44-A46 PolarHBondContact O-N 2.79Å; A46-L49 PolarHBondContact O-N 3.4Å; A46-R50 WeakPolarHBondContact O-CG 3.34Å; A46-R50 PolarHBondContact O-N 2.77Å
47N84.1Confident81.8Confident8 Ų856.5 Ų56.54%0.04329%0.291CS..Hα-helixtrans-67.3-40.7176.4-73.3-13.5000111.9S43 R44 L49 R50 V51 E326 L349S43-N47 WeakPolarHBondContact O-CB 3.25Å; S43-N47 VanDerWaalsContact O-CG 3.3Å; S43-N47 PolarHBondContact O-N 2.88Å; R44-N47 PolarHBondContact O-N 2.61Å; N47-L49 VanDerWaalsContact C-N 3.32Å; N47-L49 PolarHBondContact O-N 2.76Å; N47-R50 PolarHBondContact O-N 2.92Å; N47-V51 WeakPolarHBondContact O-CB 3.21Å; N47-V51 WeakPolarHBondContact O-CG2 3.46Å; N47-V51 PolarHBondContact O-N 3.03Å; N47-E326 PolarHBondContact ND2-O 3.22Å; N47-L349 HydrophobicContact CB-CD1 3.84Å
48E84.7Confident81.9Confident41 Ų4160.2 Ų60.219%0.19231%0.306CS..Hα-helixtrans-57.8-45.3175.1-169.6-178.6170.700110.8R44 L45 S52 L349R44-E48 WeakPolarHBondContact O-CB 3.24Å; R44-E48 PolarHBondContact O-N 2.82Å; L45-E48 PolarHBondContact O-N 2.87Å; E48-S52 WeakPolarHBondContact O-CB 3.36Å; E48-S52 PolarHBondContact O-N 2.94Å; E48-S52 PolarHBondContact O-OG 3.16Å; E48-L349 HydrophobicContact CB-CD2 4.27Å
49L81Confident81.5Confident34 Ų3456.1 Ų56.118%0.17828%0.284CS..Hα-helixtrans-62.7-52.5175.4-68.6-179.7000112.3F23 M28 L45 A46 N47 V51 S52 C53F23-L49 HydrophobicContact CB-CD1 4.24Å; F23-L49 HydrophobicContact CB-CD2 3.37Å; F23-L49 HydrophobicContact CB-CG 4.4Å; F23-L49 HydrophobicContact CD1-CD2 4.1Å; F23-L49 HydrophobicContact CD2-CD2 4.03Å; F23-L49 HydrophobicContact CG-CD2 3.63Å; M28-L49 HydrophobicContact CE-CD1 3.3Å; M28-L49 HydrophobicContact CE-CG 4.24Å; M28-L49 HydrophobicContact SD-CD1 4.09Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.26Å; A46-L49 PolarHBondContact O-N 3.4Å; N47-L49 VanDerWaalsContact C-N 3.32Å; N47-L49 PolarHBondContact O-N 2.76Å; L49-V51 VanDerWaalsContact C-N 3.32Å; L49-V51 PolarHBondContact O-N 3.28Å; L49-S52 PolarHBondContact O-N 3.32Å; L49-S52 VanDerWaalsContact O-N 3.15Å; L49-S52 PolarHBondContact O-OG 2.97Å; L49-C53 PolarHBondContact O-N 2.86Å; L49-C53 VanDerWaalsContact O-N 3.1Å; L49-C53 PolarHBondContact O-SG 2.82Å
50R79.4Confident80.9Confident70 Ų7055.8 Ų55.826%0.26428%0.275SS..Hα-helixtrans-59.9-45.4-178.5-72.1172.870.7-166.9-2111.7A46 N47 S52 C53 E326 F395A46-R50 WeakPolarHBondContact O-CG 3.34Å; A46-R50 PolarHBondContact O-N 2.77Å; N47-R50 PolarHBondContact O-N 2.92Å; R50-S52 VanDerWaalsContact C-N 3.34Å; R50-C53 PolarHBondContact O-N 2.8Å; R50-E326 IonicContact CZ-OE1 2.76Å; R50-E326 IonicContact CZ-OE2 3.28Å; R50-E326 VanDerWaalsContact NH1-CD 3.32Å; R50-E326 IonicContact NH1-OE1 3.11Å; R50-E326 PolarHBondContact NH1-OE1 3.21Å; R50-E326 IonicContact NH1-OE2 2.76Å; R50-E326 PolarHBondContact NH1-OE2 2.85Å; R50-E326 IonicContact NH2-OE1 3.63Å; R50-E326 PolarHBondContact NH2-OE1 2.9Å; R50-E326 IonicContact NH2-OE2 3.92Å; R50-F395 HydrophobicContact CB-CD1 4.04Å
51V83.4Confident80.2Confident0 Ų054.6 Ų54.60%027%0.266CS..Hα-helixtrans-69.6-34.3179.4-179.80000109.9N47 L49 C53 M54 I340 R350 F395N47-V51 WeakPolarHBondContact O-CB 3.21Å; N47-V51 WeakPolarHBondContact O-CG2 3.46Å; N47-V51 PolarHBondContact O-N 3.03Å; L49-V51 VanDerWaalsContact C-N 3.32Å; L49-V51 PolarHBondContact O-N 3.28Å; V51-C53 VanDerWaalsContact C-N 3.34Å; V51-C53 PolarHBondContact O-N 2.98Å; V51-M54 HydrophobicContact CB-CE 4.29Å; V51-M54 HydrophobicContact CB-SD 4.43Å; V51-M54 HydrophobicContact CG1-CE 4.17Å; V51-M54 HydrophobicContact CG1-SD 3.9Å; V51-M54 HydrophobicContact CG2-CE 3.96Å; V51-M54 WeakPolarHBondContact O-CG 3.46Å; V51-M54 PolarHBondContact O-N 2.96Å; V51-I340 HydrophobicContact CG1-CB 4.38Å; V51-I340 HydrophobicContact CG1-CD1 3.65Å; V51-I340 HydrophobicContact CG1-CG2 4.36Å; V51-I340 HydrophobicContact CG2-CG2 4.33Å; V51-R350 HydrophobicContact CB-CB 4.5Å; V51-R350 HydrophobicContact CG1-CB 3.29Å; V51-R350 HydrophobicContact CG1-CG 4.01Å; V51-R350 WeakPolarHBondContact O-CD 3.26Å; V51-R350 PolarHBondContact O-NH1 3.06Å; V51-F395 HydrophobicContact CG2-CE1 3.93Å; V51-F395 HydrophobicContact CG2-CZ 4.25Å
52S80.5Confident79.1Confident68 Ų6859 Ų5948%0.47628%0.278SS..Hα-helixtrans-65.5-33.8176.274.20000113.5E48 L49 R50 M54 R350E48-S52 WeakPolarHBondContact O-CB 3.36Å; E48-S52 PolarHBondContact O-N 2.94Å; E48-S52 PolarHBondContact O-OG 3.16Å; L49-S52 PolarHBondContact O-N 3.32Å; L49-S52 VanDerWaalsContact O-N 3.15Å; L49-S52 PolarHBondContact O-OG 2.97Å; R50-S52 VanDerWaalsContact C-N 3.34Å; S52-M54 VanDerWaalsContact C-N 3.26Å; S52-M54 PolarHBondContact O-N 3.34Å; S52-R350 PolarHBondContact O-NH1 3.26Å; S52-R350 VanDerWaalsContact O-NH1 3.15Å
53C77.4Confident78Confident70 Ų7057 Ų5747%0.47327%0.274SS..THydrogen-bonded Turntrans-77.1-5.4179.5-65.20000114L49 R50 V51 E55 S396L49-C53 PolarHBondContact O-N 2.86Å; L49-C53 VanDerWaalsContact O-N 3.1Å; L49-C53 PolarHBondContact O-SG 2.82Å; R50-C53 PolarHBondContact O-N 2.8Å; V51-C53 VanDerWaalsContact C-N 3.34Å; V51-C53 PolarHBondContact O-N 2.98Å; C53-E55 PolarHBondContact O-N 2.86Å; C53-S396 WeakPolarHBondContact CB-OG 3.36Å
54M82.1Confident76.7Confident4 Ų460.9 Ų60.92%0.0229%0.292CS..  trans-65.7130179.7-50.1164158.900110.9V51 S52 I340 R350 F393 F395V51-M54 HydrophobicContact CB-CE 4.29Å; V51-M54 HydrophobicContact CB-SD 4.43Å; V51-M54 HydrophobicContact CG1-CE 4.17Å; V51-M54 HydrophobicContact CG1-SD 3.9Å; V51-M54 HydrophobicContact CG2-CE 3.96Å; V51-M54 WeakPolarHBondContact O-CG 3.46Å; V51-M54 PolarHBondContact O-N 2.96Å; S52-M54 VanDerWaalsContact C-N 3.26Å; S52-M54 PolarHBondContact O-N 3.34Å; M54-I340 HydrophobicContact CE-CD1 4.43Å; M54-I340 HydrophobicContact SD-CD1 4.23Å; M54-R350 VanDerWaalsContact CB-NH1 3.26Å; M54-R350 VanDerWaalsContact O-CZ 3.32Å; M54-R350 PolarHBondContact O-NH1 2.82Å; M54-R350 PolarHBondContact O-NH2 3.29Å; M54-F393 HydrophobicContact CB-CB 4.14Å; M54-F393 HydrophobicContact CB-CD1 4.43Å; M54-F393 HydrophobicContact SD-CB 4.24Å; M54-F395 HydrophobicContact CE-CD1 3.98Å; M54-F395 HydrophobicContact CE-CD2 3.34Å; M54-F395 HydrophobicContact CE-CE1 3.66Å; M54-F395 HydrophobicContact CE-CE2 2.99Å; M54-F395 HydrophobicContact CE-CG 3.84Å; M54-F395 HydrophobicContact CE-CZ 3.15Å
55E80.6Confident75.3Confident134 Ų13461.7 Ų61.763%0.62630%0.302SS*.  trans-107.8138.9173.9-66.9-177.6166.100110.3C53 K57C53-E55 PolarHBondContact O-N 2.86Å; E55-K57 PolarHBondContact O-N 2.89Å
56R85.8Confident73.9Confident143 Ų14365.6 Ų65.654%0.5433%0.328SS..  trans-70.9116.8175-178.917757-174.2-3.4109.3Y391 F393R56-Y391 HydrophobicContact CG-CD1 3.54Å; R56-Y391 HydrophobicContact CG-CE1 4.23Å; R56-Y391 HydrophobicContact CG-CG 4.22Å; R56-F393 HydrophobicContact CB-CD1 4.23Å; R56-F393 HydrophobicContact CB-CE1 3.49Å; R56-F393 VanDerWaalsContact CB-CE1 3.49Å; R56-F393 HydrophobicContact CB-CZ 3.84Å; R56-F393 HydrophobicContact CG-CE1 3.97Å; R56-F393 HydrophobicContact CG-CZ 3.75Å
57K81.3Confident72.5Confident62 Ų6269.6 Ų69.627%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-115.4122.1172.8-61.6-178-179.7176.50110E55 F112 Y391 C392 P394E55-K57 PolarHBondContact O-N 2.89Å; K57-F112 HydrophobicContact CB-CE2 3.8Å; K57-F112 HydrophobicContact CD-CE2 4.17Å; K57-F112 HydrophobicContact CD-CZ 4.42Å; K57-Y391 WeakPolarHBondContact O-CA 3.44Å; K57-C392 PolarHBondContact N-O 3.14Å; K57-C392 PolarHBondContact O-N 3.33Å; K57-P394 HydrophobicContact CD-CG 4.41Å
58K80.4Confident70.8Confident116 Ų11670 Ų7050%0.50436%0.358SS..EExtended strand (participates in β ladder)trans-75.3131.3176.8-174167.5176.9160.90109.9D389 Y391K58-D389 VanDerWaalsContact CE-CG 3.48Å; K58-D389 WeakPolarHBondContact CE-OD1 3.45Å; K58-D389 IonicContact NZ-OD1 2.75Å; K58-D389 PolarHBondContact NZ-OD1 2.8Å; K58-D389 IonicContact NZ-OD2 2.69Å; K58-D389 PolarHBondContact NZ-OD2 3.28Å; K58-Y391 HydrophobicContact CB-CD1 4.1Å; K58-Y391 HydrophobicContact CB-CE1 3.96Å; K58-Y391 HydrophobicContact CD-CE1 4.2Å; K58-Y391 HydrophobicContact CG-CD1 4.43Å; K58-Y391 HydrophobicContact CG-CE1 4.06Å
59V75.2Confident69.2Low7 Ų770.6 Ų70.64%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-91.3130.3178.7173.90000109.2I61 F112 V114 L390 C392V59-I61 PolarHBondContact O-N 2.88Å; V59-F112 HydrophobicContact CB-CB 4.05Å; V59-F112 HydrophobicContact CG1-CB 3.63Å; V59-F112 HydrophobicContact CG2-CB 3.92Å; V59-F112 HydrophobicContact CG2-CD2 3.82Å; V59-F112 HydrophobicContact CG2-CG 4.09Å; V59-V114 HydrophobicContact CG1-CG2 3.44Å; V59-V114 VanDerWaalsContact CG1-CG2 3.44Å; V59-L390 HydrophobicContact CB-CB 4.09Å; V59-L390 HydrophobicContact CB-CD2 4.07Å; V59-L390 HydrophobicContact CB-CG 4.01Å; V59-L390 WeakPolarHBondContact CB-O 2.98Å; V59-L390 HydrophobicContact CG1-CD2 3.87Å; V59-L390 HydrophobicContact CG1-CG 4.37Å; V59-L390 HydrophobicContact CG2-CD2 4.32Å; V59-L390 HydrophobicContact CG2-CG 4.14Å; V59-L390 PolarHBondContact N-O 3.32Å; V59-C392 HydrophobicContact CG2-CB 4.01Å
60Q67.9Low67.6Low114 Ų11472.4 Ų72.453%0.53338%0.382SS..EExtended strand (participates in β ladder)trans-87.3109.4178.2-69.9-172.8-2.800110.5F112 H113 V114Q60-F112 CarbonylContact C-O 3.58Å; Q60-F112 WeakPolarHBondContact CA-O 3.23Å; Q60-F112 WeakPolarHBondContact CB-O 3.34Å; Q60-F112 PolarHBondContact N-O 2.81Å; Q60-H113 WeakPolarHBondContact O-CA 3.41Å; Q60-H113 PolarHBondContact OE1-CE1 3.42Å; Q60-H113 VanDerWaalsContact OE1-CE1 3.32Å; Q60-V114 PolarHBondContact O-N 3.31Å
61I66.3Low66.2Low35 Ų3572.7 Ų72.718%0.17939%0.392CS..EExtended strand (participates in β ladder)trans-84.5126.2177.7-57.4149.3000108.9V59 L69 F74 V114 V116 L390V59-I61 PolarHBondContact O-N 2.88Å; I61-L69 HydrophobicContact CG2-CD2 3.82Å; I61-F74 HydrophobicContact CD1-CE2 3.63Å; I61-F74 HydrophobicContact CD1-CZ 3.46Å; I61-F74 VanDerWaalsContact CD1-CZ 3.46Å; I61-F74 HydrophobicContact CG1-CZ 4.47Å; I61-V114 HydrophobicContact CG1-CB 4.3Å; I61-V114 HydrophobicContact CG2-CB 4.44Å; I61-V114 HydrophobicContact CG2-CG1 4.4Å; I61-V116 HydrophobicContact CG2-CG2 3.86Å; I61-L390 HydrophobicContact CD1-CB 4.07Å
62R59.8Low65.1Low121 Ų12173 Ų7346%0.45739%0.393SS..EExtended strand (participates in β ladder)trans-113.6109.7175.5-71.1-172.7173.6177.51.9108.8H113 V114 Y115R62-H113 PolarHBondContact NE-CE1 2.84Å; R62-H113 VanDerWaalsContact NE-CE1 3.25Å; R62-H113 PolarHBondContact NE-ND1 3.16Å; R62-H113 PolarHBondContact NH2-CE1 2.91Å; R62-H113 PolarHBondContact NH2-NE2 3.03Å; R62-V114 CarbonylContact C-O 3.59Å; R62-V114 PolarHBondContact N-O 3.46Å; R62-Y115 HydrophobicContact CB-CE1 4.44Å; R62-Y115 WeakPolarHBondContact O-CA 3.44Å
63S58.4Low64.3Low26 Ų2674.7 Ų74.718%0.18239%0.389CS..EExtended strand (participates in β ladder)trans-86.2147.3170.5-1740000109.8D65 S68 L69S63-D65 WeakPolarHBondContact CB-O 3.29Å; S63-D65 PolarHBondContact O-N 2.87Å; S63-D65 PolarHBondContact OG-N 3.31Å; S63-D65 VanDerWaalsContact OG-N 3.14Å; S63-D65 PolarHBondContact OG-O 3.2Å; S63-D65 VanDerWaalsContact OG-O 3.12Å; S63-S68 PolarHBondContact OG-OG 2.94Å; S63-S68 VanDerWaalsContact OG-OG 3.13Å; S63-L69 VanDerWaalsContact CB-CD1 3.47Å; S63-L69 VanDerWaalsContact CB-CG 3.46Å
64L54.2Low63.6Low108 Ų10872.6 Ų72.657%0.56537%0.372SS*.SBendtrans-67.7-22.7167.7-78.2145.3000111.4L117 V167L64-L117 HydrophobicContact CD1-CD2 3.81Å; L64-V167 HydrophobicContact CD1-CG2 4.43Å
65D54.6Low62.6Low85 Ų8574.6 Ų74.646%0.45538%0.383SS..SBendtrans-115.2100.8173.2-80.9-31.2000110.7S63 S67 S68S63-D65 WeakPolarHBondContact CB-O 3.29Å; S63-D65 PolarHBondContact O-N 2.87Å; S63-D65 PolarHBondContact OG-N 3.31Å; S63-D65 VanDerWaalsContact OG-N 3.14Å; S63-D65 PolarHBondContact OG-O 3.2Å; S63-D65 VanDerWaalsContact OG-O 3.12Å; D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.5Å; D65-S68 WeakPolarHBondContact O-CB 3.45Å; D65-S68 PolarHBondContact O-N 2.88Å; D65-S68 VanDerWaalsContact O-N 3.14Å; D65-S68 PolarHBondContact O-OG 3.24Å
66P52.1Low61.7Low107 Ų10771.3 Ų71.370%0.69537%0.367SS*.G310 helixtrans-66.4-23.8-17523.4-32.7000114.5S68P66-S68 PolarHBondContact O-N 2.97Å
67S52.6Low60.7Low108 Ų10864.7 Ų64.776%0.75534%0.342SS*.G310 helixtrans-69.1-17.4175.255.30000113.5D65D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.5Å
68S49.6Very low59.7Low17 Ų1763.7 Ų63.712%0.11934%0.339CS..G310 helixtrans-86.1-19.7-175710000114.4S63 D65 P66 K98S63-S68 PolarHBondContact OG-OG 2.94Å; S63-S68 VanDerWaalsContact OG-OG 3.13Å; D65-S68 WeakPolarHBondContact O-CB 3.45Å; D65-S68 PolarHBondContact O-N 2.88Å; D65-S68 VanDerWaalsContact O-N 3.14Å; D65-S68 PolarHBondContact O-OG 3.24Å; P66-S68 PolarHBondContact O-N 2.97Å; S68-K98 PolarHBondContact O-NZ 3Å
69L51.1Low58.5Low54 Ų5459 Ų5928%0.28332%0.323SS..THydrogen-bonded Turntrans-80.2-24.5-172.2-76.7164.4000114.2I61 S63 T71I61-L69 HydrophobicContact CG2-CD2 3.82Å; S63-L69 VanDerWaalsContact CB-CD1 3.47Å; S63-L69 VanDerWaalsContact CB-CG 3.46Å; L69-T71 VanDerWaalsContact C-N 3.26Å; L69-T71 PolarHBondContact O-N 2.84Å
70A46.3Very low57.6Low71 Ų7159 Ų5959%0.58732%0.323SS*.THydrogen-bonded Turntrans-74.2-12.9-168.900000114.2Q388A70-Q388 VanDerWaalsContact C-NE2 3.35Å; A70-Q388 PolarHBondContact O-NE2 3.2Å
71T51.7Low56.9Low76 Ų7658.2 Ų58.247%0.46633%0.326SS..SBendtrans-127-3.5-17453.50000114.5L69 R73L69-T71 VanDerWaalsContact C-N 3.26Å; L69-T71 PolarHBondContact O-N 2.84Å; T71-R73 PolarHBondContact O-N 3.48Å
72D60.2Low56Low7 Ų762.1 Ų62.14%0.03735%0.347CS..  trans-87.6112-170.6-74.7-6000112.2N90 V92 K98 Q388D72-N90 HydrophobicContact CB-CB 4.14Å; D72-V92 WeakPolarHBondContact OD1-CG2 3.38Å; D72-K98 IonicContact OD1-NZ 3.07Å; D72-K98 PolarHBondContact OD1-NZ 2.82Å; D72-K98 WeakPolarHBondContact OD2-CD 2.97Å; D72-K98 WeakPolarHBondContact OD2-CE 3.41Å; D72-K98 IonicContact OD2-NZ 2.67Å; D72-K98 PolarHBondContact OD2-NZ 2.87Å; D72-Q388 VanDerWaalsContact O-CG 3.25Å; D72-Q388 WeakPolarHBondContact O-CG 3.43Å
73R62Low55.6Low103 Ų10357.6 Ų57.639%0.38933%0.334SS..EExtended strand (participates in β ladder)trans-88.9131.4174.1-58.3-171.2-163.6-1697.3110.4T71 N75 N90 Q91 E93 R387T71-R73 PolarHBondContact O-N 3.48Å; R73-N75 PolarHBondContact O-N 2.94Å; R73-N90 CarbonylContact O-C 3.47Å; R73-N90 VanDerWaalsContact O-CA 3.3Å; R73-N90 WeakPolarHBondContact O-CA 3.48Å; R73-Q91 PolarHBondContact N-O 2.82Å; R73-Q91 PolarHBondContact O-N 3.44Å; R73-E93 IonicContact CZ-OE1 2.75Å; R73-E93 VanDerWaalsContact CZ-OE1 3.26Å; R73-E93 IonicContact NE-OE1 2.75Å; R73-E93 PolarHBondContact NE-OE1 3Å; R73-E93 IonicContact NH2-OE1 3.17Å; R73-E93 PolarHBondContact NH2-OE1 2.84Å; R73-R387 CarbonylContact C-O 3.56Å; R73-R387 WeakPolarHBondContact CA-O 3.4Å
74F63.1Low55.6Low26 Ų2657 Ų5711%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-61.6126.1168.8-73.8-63.8000109.8I61 V88 N90 A385 R387 Q388 L390I61-F74 HydrophobicContact CD1-CE2 3.63Å; I61-F74 HydrophobicContact CD1-CZ 3.46Å; I61-F74 VanDerWaalsContact CD1-CZ 3.46Å; I61-F74 HydrophobicContact CG1-CZ 4.47Å; F74-V88 HydrophobicContact CD1-CG1 3.19Å; F74-V88 HydrophobicContact CE1-CB 4.43Å; F74-V88 HydrophobicContact CE1-CG1 3.25Å; F74-V88 HydrophobicContact CG-CG1 4.48Å; F74-N90 WeakPolarHBondContact CD1-OD1 3.28Å; F74-N90 WeakPolarHBondContact CE1-OD1 3.34Å; F74-A385 HydrophobicContact CB-CB 3.64Å; F74-A385 HydrophobicContact CD1-CB 4.31Å; F74-A385 HydrophobicContact CD2-CB 3.64Å; F74-A385 HydrophobicContact CE2-CB 4.38Å; F74-A385 HydrophobicContact CG-CB 3.6Å; F74-R387 VanDerWaalsContact CD2-O 3.29Å; F74-R387 WeakPolarHBondContact CD2-O 3.48Å; F74-R387 PolarHBondContact N-O 3Å; F74-Q388 WeakPolarHBondContact CE2-O 3.25Å; F74-L390 HydrophobicContact CE2-CB 4.22Å; F74-L390 HydrophobicContact CZ-CB 4.44Å
75N61.5Low55.9Low47 Ų4752.8 Ų52.825%0.25131%0.306SS..EExtended strand (participates in β ladder)trans-106.5-47.9176.7-166.9-1.2000110.6R73 V89 Q91R73-N75 PolarHBondContact O-N 2.94Å; N75-V89 PolarHBondContact N-O 2.88Å; N75-Q91 HydrophobicContact CB-CB 4.28Å; N75-Q91 PolarHBondContact ND2-OE1 2.8Å; N75-Q91 VanDerWaalsContact ND2-OE1 3.14Å
76F61.1Low56.2Low64 Ų6448.8 Ų48.828%0.28129%0.285SS..EExtended strand (participates in β ladder)trans-135.7140179.2-61.5-73.4000112.1V88 V89 L130F76-V88 WeakPolarHBondContact O-CA 3.41Å; F76-V89 HydrophobicContact CB-CB 4.26Å; F76-V89 HydrophobicContact CB-CG2 4.49Å; F76-V89 HydrophobicContact CD2-CB 4.41Å; F76-V89 PolarHBondContact N-O 2.89Å; F76-V89 PolarHBondContact O-N 3.23Å; F76-L130 HydrophobicContact CB-CD1 4.44Å; F76-L130 HydrophobicContact CB-CD2 3.82Å; F76-L130 HydrophobicContact CD2-CD2 3.9Å; F76-L130 HydrophobicContact CG-CD2 3.98Å
77I65.1Low56.6Low5 Ų543.8 Ų43.83%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-119.8129163.7-60.3-166.9000109L86 V88 S365 A367 A385 L390I77-L86 HydrophobicContact CG2-CB 4.41Å; I77-L86 HydrophobicContact CG2-CD2 3.91Å; I77-V88 HydrophobicContact CD1-CG2 4.39Å; I77-V88 HydrophobicContact CG1-CG1 4.06Å; I77-V88 HydrophobicContact CG1-CG2 4.08Å; I77-V88 HydrophobicContact CG2-CG2 4.29Å; I77-S365 PolarHBondContact N-OG 3Å; I77-A367 HydrophobicContact CB-CB 4.32Å; I77-A367 HydrophobicContact CG2-CB 3.67Å; I77-A385 HydrophobicContact CD1-CB 3.19Å; I77-A385 HydrophobicContact CG1-CB 4.01Å; I77-L390 HydrophobicContact CD1-CD1 3.57Å
78L60.4Low57Low40 Ų4038.9 Ų38.921%0.20922%0.218CC..EExtended strand (participates in β ladder)trans-115.7123.7163.9-70-172.7000110L86 F87 L130L78-L86 CarbonylContact O-C 3.51Å; L78-L86 VanDerWaalsContact O-CA 3.25Å; L78-L86 WeakPolarHBondContact O-CA 3.33Å; L78-F87 HydrophobicContact CB-CB 4.47Å; L78-F87 PolarHBondContact N-O 2.82Å; L78-F87 PolarHBondContact O-N 3.5Å; L78-L130 HydrophobicContact CD1-CD1 3.13Å; L78-L130 HydrophobicContact CD1-CG 4.47Å; L78-L130 HydrophobicContact CD2-CD1 3.78Å; L78-L130 HydrophobicContact CG-CD1 3.24Å
79A56.2Low57.3Low19 Ų1938.1 Ų38.116%0.15721%0.212CC..EExtended strand (participates in β ladder)trans-78.6134.616000000109.6L86 W132 A367 F368 A369A79-L86 HydrophobicContact CB-CD2 3.66Å; A79-W132 PolarHBondContact O-NE1 3.19Å; A79-A367 HydrophobicContact CB-CB 4.1Å; A79-F368 VanDerWaalsContact CB-O 3.29Å; A79-F368 WeakPolarHBondContact CB-O 3.34Å; A79-A369 HydrophobicContact CB-CB 4.36Å
80S56.4Low57.7Low5 Ų535.9 Ų35.94%0.03520%0.201CC..  trans-68.1138.1162.9167.80000108.7N82 S83 Q85 D139S80-N82 VanDerWaalsContact C-N 3.34Å; S80-N82 PolarHBondContact OG-N 2.79Å; S80-S83 WeakPolarHBondContact CB-OG 3.46Å; S80-S83 WeakPolarHBondContact OG-CB 3.33Å; S80-S83 PolarHBondContact OG-N 2.92Å; S80-S83 PolarHBondContact OG-OG 3.08Å; S80-Q85 WeakPolarHBondContact CB-O 3.4Å; S80-Q85 PolarHBondContact N-O 3.28Å; S80-D139 PolarHBondContact OG-OD2 3.43Å
81T52.2Low58.1Low98 Ų9836 Ų3660%0.60119%0.189SC*.SBendtrans-70.8-32.2176.531.90000112.1D139T81-D139 PolarHBondContact N-OD2 3.04Å; T81-D139 PolarHBondContact OG1-OD2 2.76Å
82N48.1Very low58.3Low117 Ų11733 Ų3363%0.62617%0.171SC*.SBendtrans-115.6-9-170.2-67.9-29.8000114.5S80 D139S80-N82 VanDerWaalsContact C-N 3.34Å; S80-N82 PolarHBondContact OG-N 2.79Å; N82-D139 PolarHBondContact N-OD2 2.97Å
83S51.4Low57.8Low27 Ų2738.9 Ų38.919%0.18920%0.198CC..SBendtrans-125.5148.6179.574.10000111S80 Q85S80-S83 WeakPolarHBondContact CB-OG 3.46Å; S80-S83 WeakPolarHBondContact OG-CB 3.33Å; S80-S83 PolarHBondContact OG-N 2.92Å; S80-S83 PolarHBondContact OG-OG 3.08Å; S83-Q85 PolarHBondContact O-N 3.36Å; S83-Q85 WeakPolarHBondContact OG-CB 3.34Å
84D57Low57.1Low12 Ų1240.4 Ų40.46%0.06422%0.219CC..SBendtrans-69.747.2174.6-48.9-53.3000110.6L104 R105D84-L104 HydrophobicContact CB-CB 4.15Å; D84-L104 WeakPolarHBondContact O-CA 3.35Å; D84-L104 WeakPolarHBondContact O-CB 3.27Å; D84-L104 PolarHBondContact O-N 3.33Å; D84-R105 HydrophobicContact CB-CG 3.61Å; D84-R105 WeakPolarHBondContact OD2-CG 3.5Å; D84-R105 IonicContact OD2-NE 3.94Å; D84-R105 PolarHBondContact OD2-NE 3.33Å; D84-R105 VanDerWaalsContact OD2-NE 3.11Å
85Q60.3Low56.5Low21 Ų2144.1 Ų44.110%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-131.1134.5-171.8-59.7-175.38.100110.4S80 S83 I101 I102S80-Q85 WeakPolarHBondContact CB-O 3.4Å; S80-Q85 PolarHBondContact N-O 3.28Å; S83-Q85 PolarHBondContact O-N 3.36Å; S83-Q85 WeakPolarHBondContact OG-CB 3.34Å; Q85-I101 HydrophobicContact CB-CG2 3.97Å; Q85-I101 HydrophobicContact CG-CG2 4.22Å; Q85-I102 CarbonylContact C-O 3.57Å; Q85-I102 WeakPolarHBondContact CA-O 3.19Å
86L62.7Low56.3Low0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-103.9131.1163.6-54.3158.6000108.3I77 L78 A79 V88 I101 I102 L104 L383I77-L86 HydrophobicContact CG2-CB 4.41Å; I77-L86 HydrophobicContact CG2-CD2 3.91Å; L78-L86 CarbonylContact O-C 3.51Å; L78-L86 VanDerWaalsContact O-CA 3.25Å; L78-L86 WeakPolarHBondContact O-CA 3.33Å; A79-L86 HydrophobicContact CB-CD2 3.66Å; L86-V88 HydrophobicContact CB-CG2 4.1Å; L86-I101 CarbonylContact O-C 3.52Å; L86-I101 VanDerWaalsContact O-CA 3.3Å; L86-I101 WeakPolarHBondContact O-CA 3.29Å; L86-I102 HydrophobicContact CB-CB 4Å; L86-I102 HydrophobicContact CB-CD1 4.42Å; L86-I102 HydrophobicContact CB-CG1 4.31Å; L86-I102 HydrophobicContact CD1-CB 4.21Å; L86-I102 HydrophobicContact CD1-CD1 4.1Å; L86-I102 HydrophobicContact CD1-CG2 4.31Å; L86-I102 PolarHBondContact N-O 3.05Å; L86-I102 PolarHBondContact O-N 3.23Å; L86-L104 HydrophobicContact CD1-CD1 4.38Å; L86-L104 HydrophobicContact CD1-CD2 3.49Å; L86-L104 VanDerWaalsContact CD1-CD2 3.49Å; L86-L104 HydrophobicContact CD1-CG 4.32Å; L86-L104 HydrophobicContact CD2-CD1 4.37Å; L86-L104 HydrophobicContact CG-CD1 3.98Å; L86-L104 HydrophobicContact CG-CD2 3.87Å; L86-L104 HydrophobicContact CG-CG 4.14Å; L86-L383 HydrophobicContact CD1-CD1 3.43Å; L86-L383 VanDerWaalsContact CD1-CD1 3.43Å; L86-L383 HydrophobicContact CD1-CD2 4.37Å; L86-L383 HydrophobicContact CD1-CG 4.43Å; L86-L383 HydrophobicContact CD2-CD1 3.28Å; L86-L383 HydrophobicContact CG-CD1 3.85Å
87F60.2Low56.2Low2 Ų240.3 Ų40.31%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-91.6133.3161.1-174.5-109000109L78 V89 Y99 G100 I101 W132 I142 L144 F164L78-F87 HydrophobicContact CB-CB 4.47Å; L78-F87 PolarHBondContact N-O 2.82Å; L78-F87 PolarHBondContact O-N 3.5Å; F87-V89 HydrophobicContact CD1-CG2 3.99Å; F87-V89 HydrophobicContact CE1-CG2 3.42Å; F87-V89 VanDerWaalsContact CE1-CG2 3.42Å; F87-V89 HydrophobicContact CZ-CG2 4.21Å; F87-Y99 HydrophobicContact CE1-CD1 4.34Å; F87-Y99 AromaticContact CZ-CD1 3.82Å; F87-Y99 HydrophobicContact CZ-CD1 3.82Å; F87-Y99 HydrophobicContact CZ-CG 4.26Å; F87-G100 WeakPolarHBondContact CD2-O 3.43Å; F87-I101 HydrophobicContact CD2-CD1 4.44Å; F87-I101 HydrophobicContact CD2-CG1 3.68Å; F87-I101 HydrophobicContact CE2-CG1 4.44Å; F87-W132 HydrophobicContact CB-CH2 4.21Å; F87-W132 HydrophobicContact CB-CZ2 3.75Å; F87-I142 HydrophobicContact CB-CD1 4.1Å; F87-I142 HydrophobicContact CD1-CD1 4.1Å; F87-I142 HydrophobicContact CD1-CG2 4.29Å; F87-I142 HydrophobicContact CD2-CD1 3.23Å; F87-I142 HydrophobicContact CE1-CD1 4.29Å; F87-I142 HydrophobicContact CE1-CG2 4.04Å; F87-I142 HydrophobicContact CE2-CD1 3.46Å; F87-I142 VanDerWaalsContact CE2-CD1 3.46Å; F87-I142 HydrophobicContact CG-CD1 3.55Å; F87-I142 HydrophobicContact CZ-CD1 3.99Å; F87-I142 HydrophobicContact CZ-CG2 4.3Å; F87-L144 HydrophobicContact CE1-CD2 4.03Å; F87-L144 HydrophobicContact CZ-CD2 4.42Å; F87-F164 HydrophobicContact CE2-CD1 4.39Å; F87-F164 HydrophobicContact CE2-CD2 4.38Å; F87-F164 AromaticContact CE2-CE1 3.99Å; F87-F164 HydrophobicContact CE2-CE1 3.99Å; F87-F164 AromaticContact CE2-CE2 3.99Å; F87-F164 HydrophobicContact CE2-CE2 3.99Å; F87-F164 AromaticContact CE2-CZ 3.77Å; F87-F164 HydrophobicContact CE2-CZ 3.77Å; F87-F164 HydrophobicContact CZ-CZ 4.29Å
88V60.5Low55.8Low5 Ų540.9 Ų40.93%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-131.2135.5-176.2-173.70000110.3F74 F76 I77 L86 G100 I102F74-V88 HydrophobicContact CD1-CG1 3.19Å; F74-V88 HydrophobicContact CE1-CB 4.43Å; F74-V88 HydrophobicContact CE1-CG1 3.25Å; F74-V88 HydrophobicContact CG-CG1 4.48Å; F76-V88 WeakPolarHBondContact O-CA 3.41Å; I77-V88 HydrophobicContact CD1-CG2 4.39Å; I77-V88 HydrophobicContact CG1-CG1 4.06Å; I77-V88 HydrophobicContact CG1-CG2 4.08Å; I77-V88 HydrophobicContact CG2-CG2 4.29Å; L86-V88 HydrophobicContact CB-CG2 4.1Å; V88-G100 PolarHBondContact N-O 3.22Å; V88-G100 PolarHBondContact O-N 2.85Å; V88-I102 HydrophobicContact CB-CD1 4.4Å; V88-I102 HydrophobicContact CG2-CD1 3.45Å; V88-I102 VanDerWaalsContact CG2-CD1 3.45Å; V88-I102 HydrophobicContact CG2-CG1 3.81Å
89V56.6Low56Low1 Ų139.2 Ų39.21%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-116.5119.7177.2-173.60000108.7N75 F76 F87 Y99 L130N75-V89 PolarHBondContact N-O 2.88Å; F76-V89 HydrophobicContact CB-CB 4.26Å; F76-V89 HydrophobicContact CB-CG2 4.49Å; F76-V89 HydrophobicContact CD2-CB 4.41Å; F76-V89 PolarHBondContact N-O 2.89Å; F76-V89 PolarHBondContact O-N 3.23Å; F87-V89 HydrophobicContact CD1-CG2 3.99Å; F87-V89 HydrophobicContact CE1-CG2 3.42Å; F87-V89 VanDerWaalsContact CE1-CG2 3.42Å; F87-V89 HydrophobicContact CZ-CG2 4.21Å; V89-Y99 HydrophobicContact CB-CD1 4.46Å; V89-Y99 HydrophobicContact CG1-CD1 4.01Å; V89-Y99 HydrophobicContact CG1-CE1 3.8Å; V89-Y99 HydrophobicContact CG2-CD1 3.93Å; V89-Y99 HydrophobicContact CG2-CE1 4.27Å; V89-L130 HydrophobicContact CB-CD2 4.32Å; V89-L130 HydrophobicContact CG2-CD2 3.4Å; V89-L130 VanDerWaalsContact CG2-CD2 3.4Å
90N59.6Low56.1Low8 Ų838.5 Ų38.54%0.04321%0.212CC..EExtended strand (participates in β ladder)trans-104.4132.3175.9-65.81.4000108.8D72 R73 F74 S97 K98D72-N90 HydrophobicContact CB-CB 4.14Å; R73-N90 CarbonylContact O-C 3.47Å; R73-N90 VanDerWaalsContact O-CA 3.3Å; R73-N90 WeakPolarHBondContact O-CA 3.48Å; F74-N90 WeakPolarHBondContact CD1-OD1 3.28Å; F74-N90 WeakPolarHBondContact CE1-OD1 3.34Å; N90-S97 CarbonylContact O-C 3.55Å; N90-S97 WeakPolarHBondContact O-CA 3.2Å; N90-K98 HydrophobicContact CB-CB 4.27Å; N90-K98 PolarHBondContact N-O 3.5Å; N90-K98 PolarHBondContact O-N 3.43Å
91Q53.6Low56.4Low72 Ų7238.6 Ų38.634%0.33621%0.212SC..EExtended strand (participates in β ladder)trans-91.9131.6172-170.4172.4-23.500109.5R73 N75R73-Q91 PolarHBondContact N-O 2.82Å; R73-Q91 PolarHBondContact O-N 3.44Å; N75-Q91 HydrophobicContact CB-CB 4.28Å; N75-Q91 PolarHBondContact ND2-OE1 2.8Å; N75-Q91 VanDerWaalsContact ND2-OE1 3.14Å
92V56.7Low56.8Low15 Ų1534.1 Ų34.19%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-103.8126.1174.1-166.80000107.5D72 V94 E95 G96 K98D72-V92 WeakPolarHBondContact OD1-CG2 3.38Å; V92-V94 PolarHBondContact O-N 3.48Å; V92-V94 VanDerWaalsContact O-N 3.14Å; V92-E95 HydrophobicContact CG1-CB 4.26Å; V92-G96 WeakPolarHBondContact CA-O 3.39Å; V92-G96 WeakPolarHBondContact CB-O 3.37Å; V92-G96 PolarHBondContact N-O 3.02Å; V92-K98 HydrophobicContact CG2-CB 4.44Å; V92-K98 HydrophobicContact CG2-CD 3.55Å; V92-K98 HydrophobicContact CG2-CG 3.74Å
93E48.5Very low57.3Low130 Ų13030.4 Ų30.461%0.60717%0.168SC*.THydrogen-bonded Turntrans-61.5-24-172.7-71.1177.5179.400114.2R73R73-E93 IonicContact CZ-OE1 2.75Å; R73-E93 VanDerWaalsContact CZ-OE1 3.26Å; R73-E93 IonicContact NE-OE1 2.75Å; R73-E93 PolarHBondContact NE-OE1 3Å; R73-E93 IonicContact NH2-OE1 3.17Å; R73-E93 PolarHBondContact NH2-OE1 2.84Å
94V47.8Very low57.7Low135 Ų13529.4 Ų29.482%0.81816%0.16SC*.THydrogen-bonded Turntrans-121-20.6-173.8-172.50000113.6V92V92-V94 PolarHBondContact O-N 3.48Å; V92-V94 VanDerWaalsContact O-N 3.14Å
95E51Low57.5Low104 Ų10436.1 Ų36.149%0.48619%0.185SC..THydrogen-bonded Turntrans-131.538.6-171.7-63.7-170.116900113.3V92 R118 N124V92-E95 HydrophobicContact CG1-CB 4.26Å; E95-R118 IonicContact OE2-NH2 2.89Å; E95-R118 PolarHBondContact OE2-NH2 2.94Å; E95-R118 VanDerWaalsContact OE2-NH2 3.07Å; E95-N124 VanDerWaalsContact C-ND2 3.26Å; E95-N124 PolarHBondContact O-ND2 3.29Å; E95-N124 PolarHBondContact O-OD1 2.71Å
96G57.2Low56.9Low23 Ų2339.3 Ų39.324%0.23721%0.206CC..EExtended strand (participates in β ladder)trans74-138.6171.600000115.5V92 N124V92-G96 WeakPolarHBondContact CA-O 3.39Å; V92-G96 WeakPolarHBondContact CB-O 3.37Å; V92-G96 PolarHBondContact N-O 3.02Å; G96-N124 WeakPolarHBondContact CA-OD1 3.48Å
97S57.8Low56.4Low8 Ų840 Ų406%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-120.2134.7-171.4-46.90000112.1N90 Y99 N124 R125N90-S97 CarbonylContact O-C 3.55Å; N90-S97 WeakPolarHBondContact O-CA 3.2Å; S97-Y99 WeakPolarHBondContact CB-OH 3.31Å; S97-Y99 WeakPolarHBondContact O-CE2 3.46Å; S97-N124 PolarHBondContact N-OD1 3.15Å; S97-R125 PolarHBondContact OG-O 3.22Å
98K58.5Low55.9Low17 Ų1747.9 Ų47.97%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-100.5145.6171-72.1165.5-179.5161.50109.9S68 D72 N90 V92S68-K98 PolarHBondContact O-NZ 3Å; D72-K98 IonicContact OD1-NZ 3.07Å; D72-K98 PolarHBondContact OD1-NZ 2.82Å; D72-K98 WeakPolarHBondContact OD2-CD 2.97Å; D72-K98 WeakPolarHBondContact OD2-CE 3.41Å; D72-K98 IonicContact OD2-NZ 2.67Å; D72-K98 PolarHBondContact OD2-NZ 2.87Å; N90-K98 HydrophobicContact CB-CB 4.27Å; N90-K98 PolarHBondContact N-O 3.5Å; N90-K98 PolarHBondContact O-N 3.43Å; V92-K98 HydrophobicContact CG2-CB 4.44Å; V92-K98 HydrophobicContact CG2-CD 3.55Å; V92-K98 HydrophobicContact CG2-CG 3.74Å
99Y63.8Low55.4Low5 Ų552.8 Ų52.82%0.0227%0.269CS..EExtended strand (participates in β ladder)trans-122.1147.1-177.2-50.4-80000109.3F87 V89 S97 L117 V122 V127 L144 F146F87-Y99 HydrophobicContact CE1-CD1 4.34Å; F87-Y99 AromaticContact CZ-CD1 3.82Å; F87-Y99 HydrophobicContact CZ-CD1 3.82Å; F87-Y99 HydrophobicContact CZ-CG 4.26Å; V89-Y99 HydrophobicContact CB-CD1 4.46Å; V89-Y99 HydrophobicContact CG1-CD1 4.01Å; V89-Y99 HydrophobicContact CG1-CE1 3.8Å; V89-Y99 HydrophobicContact CG2-CD1 3.93Å; V89-Y99 HydrophobicContact CG2-CE1 4.27Å; S97-Y99 WeakPolarHBondContact CB-OH 3.31Å; S97-Y99 WeakPolarHBondContact O-CE2 3.46Å; Y99-L117 CarbonylContact O-C 3.45Å; Y99-V122 HydrophobicContact CD2-CB 3.96Å; Y99-V122 HydrophobicContact CD2-CG1 3.94Å; Y99-V122 HydrophobicContact CD2-CG2 4.08Å; Y99-V122 HydrophobicContact CE2-CB 3.67Å; Y99-V122 HydrophobicContact CE2-CG1 3.31Å; Y99-V122 HydrophobicContact CE2-CG2 4.27Å; Y99-V127 HydrophobicContact CE1-CG2 3.72Å; Y99-V127 WeakPolarHBondContact OH-CG2 3.49Å; Y99-L144 HydrophobicContact CD1-CD1 4.41Å; Y99-L144 HydrophobicContact CE1-CD1 4.17Å; Y99-F146 WeakPolarHBondContact OH-CE1 3.48Å
100G59.1Low54.8Low3 Ų358.2 Ų58.23%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-152.1148.1172.800000111.9F87 V88F87-G100 WeakPolarHBondContact CD2-O 3.43Å; V88-G100 PolarHBondContact N-O 3.22Å; V88-G100 PolarHBondContact O-N 2.85Å
101I61.4Low54Low7 Ų760.6 Ų60.64%0.03632%0.322CS..EExtended strand (participates in β ladder)trans-102125.4162.1-70.3-173.5000108.5Q85 L86 F87 W132 I142 A161 F164 L165Q85-I101 HydrophobicContact CB-CG2 3.97Å; Q85-I101 HydrophobicContact CG-CG2 4.22Å; L86-I101 CarbonylContact O-C 3.52Å; L86-I101 VanDerWaalsContact O-CA 3.3Å; L86-I101 WeakPolarHBondContact O-CA 3.29Å; F87-I101 HydrophobicContact CD2-CD1 4.44Å; F87-I101 HydrophobicContact CD2-CG1 3.68Å; F87-I101 HydrophobicContact CE2-CG1 4.44Å; I101-W132 HydrophobicContact CD1-CH2 4.35Å; I101-I142 HydrophobicContact CD1-CD1 4.36Å; I101-A161 HydrophobicContact CD1-CB 4.06Å; I101-F164 HydrophobicContact CB-CB 3.72Å; I101-F164 HydrophobicContact CD1-CB 3.51Å; I101-F164 HydrophobicContact CD1-CD2 3.78Å; I101-F164 HydrophobicContact CD1-CG 3.96Å; I101-F164 HydrophobicContact CG1-CB 3.43Å; I101-F164 VanDerWaalsContact CG1-CB 3.43Å; I101-F164 HydrophobicContact CG1-CD2 4.1Å; I101-F164 HydrophobicContact CG1-CG 3.86Å; I101-L165 HydrophobicContact CG2-CD2 4.13Å
102I61.9Low54Low5 Ų557.4 Ų57.43%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-93.3114.9169.7-46.8-173.7000107.8Q85 L86 V88 L104 V114 L390Q85-I102 CarbonylContact C-O 3.57Å; Q85-I102 WeakPolarHBondContact CA-O 3.19Å; L86-I102 HydrophobicContact CB-CB 4Å; L86-I102 HydrophobicContact CB-CD1 4.42Å; L86-I102 HydrophobicContact CB-CG1 4.31Å; L86-I102 HydrophobicContact CD1-CB 4.21Å; L86-I102 HydrophobicContact CD1-CD1 4.1Å; L86-I102 HydrophobicContact CD1-CG2 4.31Å; L86-I102 PolarHBondContact N-O 3.05Å; L86-I102 PolarHBondContact O-N 3.23Å; V88-I102 HydrophobicContact CB-CD1 4.4Å; V88-I102 HydrophobicContact CG2-CD1 3.45Å; V88-I102 VanDerWaalsContact CG2-CD1 3.45Å; V88-I102 HydrophobicContact CG2-CG1 3.81Å; I102-L104 HydrophobicContact CG2-CD2 4.09Å; I102-V114 HydrophobicContact CB-CG1 3.85Å; I102-V114 HydrophobicContact CB-CG2 4.48Å; I102-V114 HydrophobicContact CD1-CB 4.4Å; I102-V114 HydrophobicContact CD1-CG1 3.44Å; I102-V114 VanDerWaalsContact CD1-CG1 3.44Å; I102-V114 HydrophobicContact CD1-CG2 4.2Å; I102-V114 HydrophobicContact CG1-CB 4.5Å; I102-V114 HydrophobicContact CG1-CG1 3.31Å; I102-V114 HydrophobicContact CG2-CB 3.95Å; I102-V114 HydrophobicContact CG2-CG1 3.59Å; I102-V114 HydrophobicContact CG2-CG2 3.37Å; I102-L390 HydrophobicContact CD1-CD2 3.75Å
103S58.3Low53.5Low39 Ų3958.6 Ų58.627%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-79.3121.3167.7-176.40000110R105S103-R105 VanDerWaalsContact C-N 3.25Å; S103-R105 PolarHBondContact OG-N 3.07Å
104L59.7Low53.7Low5 Ų552.5 Ų52.53%0.02628%0.283CS..G310 helixtrans-81.9-3.6174-52.8178.6000112.5D84 L86 I102 T106 L107 A369 L383D84-L104 HydrophobicContact CB-CB 4.15Å; D84-L104 WeakPolarHBondContact O-CA 3.35Å; D84-L104 WeakPolarHBondContact O-CB 3.27Å; D84-L104 PolarHBondContact O-N 3.33Å; L86-L104 HydrophobicContact CD1-CD1 4.38Å; L86-L104 HydrophobicContact CD1-CD2 3.49Å; L86-L104 VanDerWaalsContact CD1-CD2 3.49Å; L86-L104 HydrophobicContact CD1-CG 4.32Å; L86-L104 HydrophobicContact CD2-CD1 4.37Å; L86-L104 HydrophobicContact CG-CD1 3.98Å; L86-L104 HydrophobicContact CG-CD2 3.87Å; L86-L104 HydrophobicContact CG-CG 4.14Å; I102-L104 HydrophobicContact CG2-CD2 4.09Å; L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 PolarHBondContact O-N 3.05Å; L104-L107 HydrophobicContact CB-CD1 3.64Å; L104-L107 HydrophobicContact CB-CG 4.19Å; L104-L107 HydrophobicContact CD2-CD1 3.61Å; L104-L107 HydrophobicContact CD2-CD2 4.49Å; L104-L107 HydrophobicContact CD2-CG 4.32Å; L104-L107 HydrophobicContact CG-CD1 4.15Å; L104-L107 WeakPolarHBondContact O-CB 3.45Å; L104-L107 VanDerWaalsContact O-CG 3.26Å; L104-L107 WeakPolarHBondContact O-CG 3.43Å; L104-L107 PolarHBondContact O-N 2.79Å; L104-A369 HydrophobicContact CD1-CB 4.11Å; L104-L383 HydrophobicContact CD1-CD1 4.44Å
105R52.2Low53.8Low153 Ų15351.9 Ų51.958%0.57727%0.266SS*.G310 helixtrans-67.3-27.5179.6-63.9-170170177.23.9113.8D84 S103D84-R105 HydrophobicContact CB-CG 3.61Å; D84-R105 WeakPolarHBondContact OD2-CG 3.5Å; D84-R105 IonicContact OD2-NE 3.94Å; D84-R105 PolarHBondContact OD2-NE 3.33Å; D84-R105 VanDerWaalsContact OD2-NE 3.11Å; S103-R105 VanDerWaalsContact C-N 3.25Å; S103-R105 PolarHBondContact OG-N 3.07Å
106T47.9Very low54Low89 Ų8947.9 Ų47.955%0.54625%0.249SC..G310 helixtrans-93.45.9-179.446.80000113.2L104 K108L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 PolarHBondContact O-N 3.05Å; T106-K108 PolarHBondContact O-N 2.87Å
107L51.4Low53.7Low15 Ų1548.6 Ų48.68%0.07925%0.248CC..  trans-70.480.4177.8-62.5178.5000110.3L104 I109 F112 L372L104-L107 HydrophobicContact CB-CD1 3.64Å; L104-L107 HydrophobicContact CB-CG 4.19Å; L104-L107 HydrophobicContact CD2-CD1 3.61Å; L104-L107 HydrophobicContact CD2-CD2 4.49Å; L104-L107 HydrophobicContact CD2-CG 4.32Å; L104-L107 HydrophobicContact CG-CD1 4.15Å; L104-L107 WeakPolarHBondContact O-CB 3.45Å; L104-L107 VanDerWaalsContact O-CG 3.26Å; L104-L107 WeakPolarHBondContact O-CG 3.43Å; L104-L107 PolarHBondContact O-N 2.79Å; L107-I109 PolarHBondContact O-N 3.33Å; L107-F112 HydrophobicContact CB-CD1 3.63Å; L107-F112 HydrophobicContact CB-CE1 3.78Å; L107-F112 HydrophobicContact CD1-CD1 4.3Å; L107-F112 HydrophobicContact CD1-CE1 4.36Å; L107-F112 HydrophobicContact CD2-CB 3.69Å; L107-F112 HydrophobicContact CD2-CD1 3.19Å; L107-F112 HydrophobicContact CD2-CE1 4.03Å; L107-F112 HydrophobicContact CD2-CG 3.78Å; L107-F112 HydrophobicContact CG-CD1 3.82Å; L107-F112 HydrophobicContact CG-CE1 4.24Å; L107-L372 HydrophobicContact CD1-CD2 3.51Å; L107-L372 HydrophobicContact CD1-CG 4.37Å
108K50.9Low53.3Low167 Ų16754.2 Ų54.273%0.72627%0.267SS*.BIsolated β-bridgetrans-81.9110.2160-70.8-174.5179.3-1790107.1T106 S111T106-K108 PolarHBondContact O-N 2.87Å; K108-S111 PolarHBondContact O-N 2.81Å
109I48.7Very low53.1Low107 Ų10754.8 Ų54.855%0.54927%0.271SS..THydrogen-bonded Turntrans-54.5123.7165.3-58.5169.4000106.2L107 F112L107-I109 PolarHBondContact O-N 3.33Å; I109-F112 HydrophobicContact CG1-CE1 4Å; I109-F112 HydrophobicContact CG1-CZ 3.97Å
110P43.7Very low52.3Low116 Ų11662 Ų6275%0.75331%0.309SS*.THydrogen-bonded Turncis-107.8-5.621.638.5-32.9000116.8
111S44.7Very low52.1Low58 Ų5870.4 Ų70.441%0.40634%0.341SS..BIsolated β-bridgetrans-103.4100.2-175.360.30000111.4K108K108-S111 PolarHBondContact O-N 2.81Å
112F52.5Low52Low5 Ų570.8 Ų70.82%0.02234%0.344CS..  trans-86.7112.3174.8-55.2-60.7000109.5K57 V59 Q60 L107 I109 C392K57-F112 HydrophobicContact CB-CE2 3.8Å; K57-F112 HydrophobicContact CD-CE2 4.17Å; K57-F112 HydrophobicContact CD-CZ 4.42Å; V59-F112 HydrophobicContact CB-CB 4.05Å; V59-F112 HydrophobicContact CG1-CB 3.63Å; V59-F112 HydrophobicContact CG2-CB 3.92Å; V59-F112 HydrophobicContact CG2-CD2 3.82Å; V59-F112 HydrophobicContact CG2-CG 4.09Å; Q60-F112 CarbonylContact C-O 3.58Å; Q60-F112 WeakPolarHBondContact CA-O 3.23Å; Q60-F112 WeakPolarHBondContact CB-O 3.34Å; Q60-F112 PolarHBondContact N-O 2.81Å; L107-F112 HydrophobicContact CB-CD1 3.63Å; L107-F112 HydrophobicContact CB-CE1 3.78Å; L107-F112 HydrophobicContact CD1-CD1 4.3Å; L107-F112 HydrophobicContact CD1-CE1 4.36Å; L107-F112 HydrophobicContact CD2-CB 3.69Å; L107-F112 HydrophobicContact CD2-CD1 3.19Å; L107-F112 HydrophobicContact CD2-CE1 4.03Å; L107-F112 HydrophobicContact CD2-CG 3.78Å; L107-F112 HydrophobicContact CG-CD1 3.82Å; L107-F112 HydrophobicContact CG-CE1 4.24Å; I109-F112 HydrophobicContact CG1-CE1 4Å; I109-F112 HydrophobicContact CG1-CZ 3.97Å; F112-C392 HydrophobicContact CE2-CB 4.42Å
113H46.5Very low51.9Low39 Ų3972.3 Ų72.318%0.18135%0.354CS..EExtended strand (participates in β ladder)trans-106.6129.6173.7-68-45.7000110.9Q60 R62Q60-H113 WeakPolarHBondContact O-CA 3.41Å; Q60-H113 PolarHBondContact OE1-CE1 3.42Å; Q60-H113 VanDerWaalsContact OE1-CE1 3.32Å; R62-H113 PolarHBondContact NE-CE1 2.84Å; R62-H113 VanDerWaalsContact NE-CE1 3.25Å; R62-H113 PolarHBondContact NE-ND1 3.16Å; R62-H113 PolarHBondContact NH2-CE1 2.91Å; R62-H113 PolarHBondContact NH2-NE2 3.03Å
114V52.2Low52.3Low3 Ų374.7 Ų74.72%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-121.2129.9-179.2171.30000109.4V59 Q60 I61 R62 I102 L390V59-V114 HydrophobicContact CG1-CG2 3.44Å; V59-V114 VanDerWaalsContact CG1-CG2 3.44Å; Q60-V114 PolarHBondContact O-N 3.31Å; I61-V114 HydrophobicContact CG1-CB 4.3Å; I61-V114 HydrophobicContact CG2-CB 4.44Å; I61-V114 HydrophobicContact CG2-CG1 4.4Å; R62-V114 CarbonylContact C-O 3.59Å; R62-V114 PolarHBondContact N-O 3.46Å; I102-V114 HydrophobicContact CB-CG1 3.85Å; I102-V114 HydrophobicContact CB-CG2 4.48Å; I102-V114 HydrophobicContact CD1-CB 4.4Å; I102-V114 HydrophobicContact CD1-CG1 3.44Å; I102-V114 VanDerWaalsContact CD1-CG1 3.44Å; I102-V114 HydrophobicContact CD1-CG2 4.2Å; I102-V114 HydrophobicContact CG1-CB 4.5Å; I102-V114 HydrophobicContact CG1-CG1 3.31Å; I102-V114 HydrophobicContact CG2-CB 3.95Å; I102-V114 HydrophobicContact CG2-CG1 3.59Å; I102-V114 HydrophobicContact CG2-CG2 3.37Å; V114-L390 HydrophobicContact CG2-CD2 4.45Å
115Y50.1Low52.8Low121 Ų12176.9 Ų76.948%0.47537%0.372SS..EExtended strand (participates in β ladder)trans-100.4120.6173.2-64-84.4000110.5R62R62-Y115 HydrophobicContact CB-CE1 4.44Å; R62-Y115 WeakPolarHBondContact O-CA 3.44Å
116V54.5Low53.9Low21 Ų2174 Ų7413%0.12736%0.364CS..EExtended strand (participates in β ladder)trans-88.9119.3169.8-177.70000107.7I61I61-V116 HydrophobicContact CG2-CG2 3.86Å
117L51.2Low55.2Low38 Ų3869.9 Ų69.920%0.19934%0.338CS..  trans-103.2102.9-179.4-75.6162.3000109.9L64 Y99 N119 F164 V167L64-L117 HydrophobicContact CD1-CD2 3.81Å; Y99-L117 CarbonylContact O-C 3.45Å; L117-N119 PolarHBondContact O-N 2.82Å; L117-N119 VanDerWaalsContact O-N 3.13Å; L117-F164 WeakPolarHBondContact CD1-O 3.46Å; L117-V167 HydrophobicContact CD2-CG2 3.47Å; L117-V167 VanDerWaalsContact CD2-CG2 3.47Å
118R49.9Very low56.6Low125 Ų12571.5 Ų71.547%0.47235%0.345SS..  trans-64.4113.6175.9-162.9177.1-171.5177.94.4109.1E95E95-R118 IonicContact OE2-NH2 2.89Å; E95-R118 PolarHBondContact OE2-NH2 2.94Å; E95-R118 VanDerWaalsContact OE2-NH2 3.07Å
119N53.5Low58.1Low29 Ų2964.5 Ų64.516%0.15532%0.317CS..  trans-91.1117.5176-166.9-16.9000109.8L117 Y121 V122 F164L117-N119 PolarHBondContact O-N 2.82Å; L117-N119 VanDerWaalsContact O-N 3.13Å; N119-Y121 PolarHBondContact O-N 3.47Å; N119-Y121 PolarHBondContact OD1-N 2.82Å; N119-V122 HydrophobicContact CB-CG2 4.1Å; N119-F164 HydrophobicContact CB-CE1 4.01Å
120L48.8Very low59.9Low157 Ų15760.3 Ų60.382%0.82230%0.296SS*.THydrogen-bonded Turntrans-75.1-8-177.9-68.1163.2000113.7
121Y53.5Low61.7Low179 Ų17955.7 Ų55.770%0.70227%0.265SS*.THydrogen-bonded Turntrans-101.6-1.9-174-65.1-78.9000114.6N119N119-Y121 PolarHBondContact O-N 3.47Å; N119-Y121 PolarHBondContact OD1-N 2.82Å
122V60.1Low63.5Low15 Ų1554.5 Ų54.59%0.09125%0.252CS..SBendtrans-91.6131.8178.6-170.80000108.5Y99 N119 N124 L144 F146 L159Y99-V122 HydrophobicContact CD2-CB 3.96Å; Y99-V122 HydrophobicContact CD2-CG1 3.94Å; Y99-V122 HydrophobicContact CD2-CG2 4.08Å; Y99-V122 HydrophobicContact CE2-CB 3.67Å; Y99-V122 HydrophobicContact CE2-CG1 3.31Å; Y99-V122 HydrophobicContact CE2-CG2 4.27Å; N119-V122 HydrophobicContact CB-CG2 4.1Å; V122-N124 PolarHBondContact O-N 3.04Å; V122-L144 HydrophobicContact CG1-CD1 4.36Å; V122-F146 HydrophobicContact CG1-CE1 3.94Å; V122-F146 HydrophobicContact CG1-CE2 4.47Å; V122-F146 HydrophobicContact CG1-CZ 3.44Å; V122-F146 VanDerWaalsContact CG1-CZ 3.44Å; V122-L159 HydrophobicContact CG1-CD1 4.47Å; V122-L159 HydrophobicContact CG2-CD1 3.68Å
123P60.2Low64.8Low38 Ų3854.2 Ų54.225%0.24725%0.251CS..  trans-56.9135.5178.222.9-33000109.8R125 F146P123-R125 HydrophobicContact CB-CG 4.17Å; P123-R125 PolarHBondContact O-N 3.44Å; P123-F146 HydrophobicContact CG-CD1 4.29Å; P123-F146 HydrophobicContact CG-CD2 4.07Å; P123-F146 HydrophobicContact CG-CE1 4.06Å; P123-F146 HydrophobicContact CG-CE2 3.86Å; P123-F146 HydrophobicContact CG-CG 4.28Å; P123-F146 HydrophobicContact CG-CZ 3.87Å
124N65.9Low66.2Low89 Ų8952.7 Ų52.748%0.47624%0.244SC..SBendtrans-77.771.6-176.1-160.921.4000111.1E95 G96 S97 V122E95-N124 VanDerWaalsContact C-ND2 3.26Å; E95-N124 PolarHBondContact O-ND2 3.29Å; E95-N124 PolarHBondContact O-OD1 2.71Å; G96-N124 WeakPolarHBondContact CA-OD1 3.48Å; S97-N124 PolarHBondContact N-OD1 3.15Å; V122-N124 PolarHBondContact O-N 3.04Å
125R70.8Confident66.9Low50 Ų5054.4 Ų54.419%0.18925%0.254CS..SBendtrans-133.4162-173.1-57-171.5-166.416511.1110.7S97 P123 F146 E147 I149 P153S97-R125 PolarHBondContact OG-O 3.22Å; P123-R125 HydrophobicContact CB-CG 4.17Å; P123-R125 PolarHBondContact O-N 3.44Å; R125-F146 HydrophobicContact CB-CB 4.38Å; R125-F146 HydrophobicContact CB-CD1 3.86Å; R125-F146 HydrophobicContact CB-CG 4.48Å; R125-E147 WeakPolarHBondContact CD-O 3.32Å; R125-I149 HydrophobicContact CB-CD1 4.42Å; R125-I149 HydrophobicContact CG-CD1 3.76Å; R125-I149 HydrophobicContact CG-CG1 4.49Å; R125-P153 PolarHBondContact NH1-O 2.78Å
126K74.4Confident67.5Low94 Ų9454.8 Ų54.841%0.40926%0.264SS..  trans-70.6132173.9-169.1173.7179.9-177.30109.6E147K126-E147 HydrophobicContact CB-CB 4.45Å; K126-E147 WeakPolarHBondContact CD-OE2 3.41Å; K126-E147 PolarHBondContact O-N 2.89Å
127V76.4Confident67.7Low2 Ų261.5 Ų61.51%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-89.5125.8171.5178.60000108.5Y99 S129 L130 L144 C145 F146Y99-V127 HydrophobicContact CE1-CG2 3.72Å; Y99-V127 WeakPolarHBondContact OH-CG2 3.49Å; V127-S129 VanDerWaalsContact CG1-O 3.28Å; V127-S129 WeakPolarHBondContact CG1-O 3.27Å; V127-L130 HydrophobicContact CG1-CB 4.25Å; V127-L130 HydrophobicContact CG1-CD2 4.14Å; V127-L144 HydrophobicContact CG1-CD2 4.32Å; V127-C145 WeakPolarHBondContact CA-O 3.18Å; V127-F146 HydrophobicContact CG2-CD1 3.92Å; V127-F146 HydrophobicContact CG2-CE1 3.6Å; V127-F146 HydrophobicContact CG2-CZ 4.35Å
128K80.9Confident68Low49 Ų4965.4 Ų65.421%0.21331%0.314CS..EExtended strand (participates in β ladder)trans-89.6-38.2177.4-72.2-89.4174.6140.30111.6C145 E147 E184 A185K128-C145 PolarHBondContact N-O 3.25Å; K128-E147 WeakPolarHBondContact CE-OE1 3.42Å; K128-E147 WeakPolarHBondContact CE-OE2 3.16Å; K128-E147 HydrophobicContact CG-CB 4.11Å; K128-E147 VanDerWaalsContact NZ-CD 3.32Å; K128-E147 IonicContact NZ-OE1 2.68Å; K128-E147 PolarHBondContact NZ-OE1 3.48Å; K128-E147 IonicContact NZ-OE2 3.95Å; K128-E184 IonicContact NZ-OE1 2.67Å; K128-E184 PolarHBondContact NZ-OE1 3.14Å; K128-A185 VanDerWaalsContact CB-O 3.29Å; K128-A185 WeakPolarHBondContact CB-O 3.45Å
129S81.8Confident68.5Low20 Ų2060.7 Ų60.714%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-151.3154.1-179.8-163.20000111V127 C145 S187 C188V127-S129 VanDerWaalsContact CG1-O 3.28Å; V127-S129 WeakPolarHBondContact CG1-O 3.27Å; S129-C145 PolarHBondContact O-N 2.68Å; S129-S187 WeakPolarHBondContact OG-CA 3.26Å; S129-C188 VanDerWaalsContact C-SG 3.59Å; S129-C188 PolarHBondContact OG-N 3.36Å; S129-C188 PolarHBondContact OG-SG 2.9Å
130L85.6Confident69Low19 Ų1960.8 Ų60.810%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-150.6148.7-176.749.982.4000110.6F76 L78 V89 V127 L143 L144 C188F76-L130 HydrophobicContact CB-CD1 4.44Å; F76-L130 HydrophobicContact CB-CD2 3.82Å; F76-L130 HydrophobicContact CD2-CD2 3.9Å; F76-L130 HydrophobicContact CG-CD2 3.98Å; L78-L130 HydrophobicContact CD1-CD1 3.13Å; L78-L130 HydrophobicContact CD1-CG 4.47Å; L78-L130 HydrophobicContact CD2-CD1 3.78Å; L78-L130 HydrophobicContact CG-CD1 3.24Å; V89-L130 HydrophobicContact CB-CD2 4.32Å; V89-L130 HydrophobicContact CG2-CD2 3.4Å; V89-L130 VanDerWaalsContact CG2-CD2 3.4Å; V127-L130 HydrophobicContact CG1-CB 4.25Å; V127-L130 HydrophobicContact CG1-CD2 4.14Å; L130-L143 VanDerWaalsContact CA-O 3.29Å; L130-L143 WeakPolarHBondContact CA-O 3.34Å; L130-L144 HydrophobicContact CB-CD2 3.72Å; L130-L144 HydrophobicContact CD2-CD2 4.42Å; L130-C188 PolarHBondContact N-SG 3.42Å
131C83.3Confident70.4Confident18 Ų1854.4 Ų54.412%0.12227%0.267CS..EExtended strand (participates in β ladder)trans-152156.6172.575.60000111.3L143 W190C131-L143 PolarHBondContact N-O 2.9Å; C131-L143 VanDerWaalsContact N-O 3.08Å; C131-L143 PolarHBondContact O-N 2.77Å; C131-W190 PolarHBondContact SG-N 2.92Å; C131-W190 VanDerWaalsContact SG-N 3.43Å
132W81.8Confident71.7Confident33 Ų3346 Ų4613%0.12523%0.234CC..EExtended strand (participates in β ladder)trans-66.3144.3166.4-74.3107.7000110A79 F87 I101 D139 I142 A161 W190A79-W132 PolarHBondContact O-NE1 3.19Å; F87-W132 HydrophobicContact CB-CH2 4.21Å; F87-W132 HydrophobicContact CB-CZ2 3.75Å; I101-W132 HydrophobicContact CD1-CH2 4.35Å; W132-D139 HydrophobicContact CD2-CB 4.44Å; W132-D139 HydrophobicContact CE3-CB 4.08Å; W132-I142 HydrophobicContact CE3-CD1 4.49Å; W132-I142 HydrophobicContact CE3-CG1 3.76Å; W132-I142 HydrophobicContact CH2-CD1 3.94Å; W132-I142 HydrophobicContact CH2-CG1 4.1Å; W132-I142 HydrophobicContact CZ3-CD1 3.86Å; W132-I142 HydrophobicContact CZ3-CG1 3.52Å; W132-A161 HydrophobicContact CZ3-CB 3.93Å; W132-W190 VanDerWaalsContact O-CB 3.31Å; W132-W190 WeakPolarHBondContact O-CB 3.38Å
133A80.7Confident72.8Confident0 Ų045.3 Ų45.30%023%0.23CC..EExtended strand (participates in β ladder)trans-130141.5178.500000110.1S140 H141 L143 L158 W190A133-S140 PolarHBondContact O-N 3.14Å; A133-H141 HydrophobicContact CB-CB 3.93Å; A133-H141 PolarHBondContact N-O 3.43Å; A133-H141 CarbonylContact O-C 3.57Å; A133-H141 PolarHBondContact O-N 2.95Å; A133-L143 HydrophobicContact CB-CB 4.45Å; A133-L158 HydrophobicContact CB-CD1 3.48Å; A133-L158 VanDerWaalsContact CB-CD1 3.48Å; A133-W190 HydrophobicContact CB-CB 4.28Å; A133-W190 HydrophobicContact CB-CD2 3.45Å; A133-W190 VanDerWaalsContact CB-CD2 3.45Å; A133-W190 HydrophobicContact CB-CE3 3.52Å; A133-W190 HydrophobicContact CB-CG 3.78Å; A133-W190 HydrophobicContact CB-CZ2 4.48Å; A133-W190 HydrophobicContact CB-CZ3 4.08Å
134S75.6Confident74Confident6 Ų643.5 Ų43.54%0.04222%0.219CC..  trans-134.2105.8-175.7-168.40000110.6Q137 L138 W190S134-Q137 WeakPolarHBondContact OG-CA 3.33Å; S134-Q137 PolarHBondContact OG-N 3.28Å; S134-L138 WeakPolarHBondContact CB-O 3.38Å; S134-L138 PolarHBondContact OG-N 3.43Å; S134-L138 PolarHBondContact OG-O 2.99Å; S134-W190 PolarHBondContact O-NE1 3.38Å
135L66.8Low74.9Confident40 Ų4039.3 Ų39.321%0.20920%0.196CC..SBendtrans-83-25.7173.4-76.6161.5000111.9L158 W190L135-L158 HydrophobicContact CD1-CD2 3.83Å; L135-W190 HydrophobicContact CD2-CH2 4.2Å; L135-W190 HydrophobicContact CD2-CZ2 3.99Å; L135-W190 HydrophobicContact CG-CH2 4.47Å; L135-W190 HydrophobicContact CG-CZ2 4.18Å
136N62.3Low75.5Confident129 Ų12937.1 Ų37.169%0.6919%0.188SC*.SBendtrans-123.925.9-175-65-6.9000112.9L138N136-L138 PolarHBondContact O-N 2.84Å
137Q58.2Low75.8Confident161 Ų16135.4 Ų35.475%0.75218%0.181SC*.SBendtrans61.49.3-175.3-56.5176.5-1100115.6S134S134-Q137 WeakPolarHBondContact OG-CA 3.33Å; S134-Q137 PolarHBondContact OG-N 3.28Å
138L58.2Low75.9Confident121 Ų12136.7 Ų36.763%0.63420%0.195SC*.SBendtrans-111.6141.7165.9-63.2172.4000109.6S134 N136 S140S134-L138 WeakPolarHBondContact CB-O 3.38Å; S134-L138 PolarHBondContact OG-N 3.43Å; S134-L138 PolarHBondContact OG-O 2.99Å; N136-L138 PolarHBondContact O-N 2.84Å; L138-S140 WeakPolarHBondContact O-CB 3.38Å; L138-S140 PolarHBondContact O-N 3.1Å; L138-S140 PolarHBondContact O-OG 3.21Å
139D59.1Low75.8Confident25 Ų2538.8 Ų38.813%0.13421%0.207CC..SBendtrans-63.379.9174.1-67.6-15.5000109.3S80 T81 N82 W132S80-D139 PolarHBondContact OG-OD2 3.43Å; T81-D139 PolarHBondContact N-OD2 3.04Å; T81-D139 PolarHBondContact OG1-OD2 2.76Å; N82-D139 PolarHBondContact N-OD2 2.97Å; W132-D139 HydrophobicContact CD2-CB 4.44Å; W132-D139 HydrophobicContact CE3-CB 4.08Å
140S65.9Low75.2Confident31 Ų3144.2 Ų44.222%0.21724%0.24CC..  trans-111.9-16.6-166.544.30000111.6A133 L138 P160 A161A133-S140 PolarHBondContact O-N 3.14Å; L138-S140 WeakPolarHBondContact O-CB 3.38Å; L138-S140 PolarHBondContact O-N 3.1Å; L138-S140 PolarHBondContact O-OG 3.21Å; S140-P160 CarbonylContact O-C 3.5Å; S140-P160 WeakPolarHBondContact O-CA 3.34Å; S140-A161 WeakPolarHBondContact O-CB 3.41Å; S140-A161 PolarHBondContact O-N 2.63Å
141H77.6Confident74.6Confident24 Ų2450.6 Ų50.611%0.11127%0.274CS..EExtended strand (participates in β ladder)trans-136.1159.2-175.1-57.780.6000110.9A133 L158 L159 L177A133-H141 HydrophobicContact CB-CB 3.93Å; A133-H141 PolarHBondContact N-O 3.43Å; A133-H141 CarbonylContact O-C 3.57Å; A133-H141 PolarHBondContact O-N 2.95Å; H141-L158 HydrophobicContact CB-CD1 3.71Å; H141-L158 HydrophobicContact CB-CG 4.06Å; H141-L159 CarbonylContact C-O 3.42Å; H141-L159 WeakPolarHBondContact CA-O 3.26Å; H141-L177 WeakPolarHBondContact CD2-CD1 3.25Å; H141-L177 WeakPolarHBondContact NE2-CD1 3.24Å
142I79.8Confident74.4Confident1 Ų150.6 Ų50.61%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-126.1126.7177.2-58.1176.7000106.9F87 I101 W132 L144 L159 F164F87-I142 HydrophobicContact CB-CD1 4.1Å; F87-I142 HydrophobicContact CD1-CD1 4.1Å; F87-I142 HydrophobicContact CD1-CG2 4.29Å; F87-I142 HydrophobicContact CD2-CD1 3.23Å; F87-I142 HydrophobicContact CE1-CD1 4.29Å; F87-I142 HydrophobicContact CE1-CG2 4.04Å; F87-I142 HydrophobicContact CE2-CD1 3.46Å; F87-I142 VanDerWaalsContact CE2-CD1 3.46Å; F87-I142 HydrophobicContact CG-CD1 3.55Å; F87-I142 HydrophobicContact CZ-CD1 3.99Å; F87-I142 HydrophobicContact CZ-CG2 4.3Å; I101-I142 HydrophobicContact CD1-CD1 4.36Å; W132-I142 HydrophobicContact CE3-CD1 4.49Å; W132-I142 HydrophobicContact CE3-CG1 3.76Å; W132-I142 HydrophobicContact CH2-CD1 3.94Å; W132-I142 HydrophobicContact CH2-CG1 4.1Å; W132-I142 HydrophobicContact CZ3-CD1 3.86Å; W132-I142 HydrophobicContact CZ3-CG1 3.52Å; I142-L144 HydrophobicContact CG2-CD2 3.77Å; I142-L144 HydrophobicContact CG2-CG 4.06Å; I142-L159 PolarHBondContact N-O 3.01Å; I142-L159 PolarHBondContact O-N 3.13Å; I142-F164 HydrophobicContact CD1-CD2 4.39Å; I142-F164 HydrophobicContact CD1-CE2 4.07Å
143L84.8Confident74.5Confident2 Ų252.3 Ų52.31%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-92.6125.2171.5-176.869.2000108.5L130 C131 A133 A156 L158 C188 W190 F200L130-L143 VanDerWaalsContact CA-O 3.29Å; L130-L143 WeakPolarHBondContact CA-O 3.34Å; C131-L143 PolarHBondContact N-O 2.9Å; C131-L143 VanDerWaalsContact N-O 3.08Å; C131-L143 PolarHBondContact O-N 2.77Å; A133-L143 HydrophobicContact CB-CB 4.45Å; L143-A156 HydrophobicContact CD1-CB 4.27Å; L143-L158 HydrophobicContact CB-CD1 4.37Å; L143-L158 HydrophobicContact CD1-CD1 4.46Å; L143-C188 HydrophobicContact CD2-CB 4.12Å; L143-W190 HydrophobicContact CD2-CE3 4.44Å; L143-F200 HydrophobicContact CD1-CD2 4.38Å; L143-F200 HydrophobicContact CD1-CG 4.32Å; L143-F200 HydrophobicContact CD2-CB 3.66Å; L143-F200 HydrophobicContact CD2-CD2 3.78Å; L143-F200 HydrophobicContact CD2-CG 3.85Å
144L84.3Confident74.8Confident0 Ų053 Ų530%030%0.296CS..EExtended strand (participates in β ladder)trans-120.2129.1176.7-61.1176.9000109.6F87 Y99 V122 V127 L130 I142 F146 A156 V157 L159F87-L144 HydrophobicContact CE1-CD2 4.03Å; F87-L144 HydrophobicContact CZ-CD2 4.42Å; Y99-L144 HydrophobicContact CD1-CD1 4.41Å; Y99-L144 HydrophobicContact CE1-CD1 4.17Å; V122-L144 HydrophobicContact CG1-CD1 4.36Å; V127-L144 HydrophobicContact CG1-CD2 4.32Å; L130-L144 HydrophobicContact CB-CD2 3.72Å; L130-L144 HydrophobicContact CD2-CD2 4.42Å; I142-L144 HydrophobicContact CG2-CD2 3.77Å; I142-L144 HydrophobicContact CG2-CG 4.06Å; L144-F146 HydrophobicContact CB-CE2 3.77Å; L144-F146 HydrophobicContact CB-CZ 3.82Å; L144-F146 HydrophobicContact CD1-CE2 4.47Å; L144-F146 HydrophobicContact CD1-CZ 3.86Å; L144-A156 CarbonylContact O-C 3.56Å; L144-A156 WeakPolarHBondContact O-CA 3.43Å; L144-V157 PolarHBondContact N-O 3.23Å; L144-V157 PolarHBondContact O-N 3.05Å; L144-L159 HydrophobicContact CD1-CD1 3.81Å
145C84.6Confident75.3Confident1 Ų153.2 Ų53.21%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-104.2115.4172.4-69.80000110.1V127 K128 S129 A185 C188V127-C145 WeakPolarHBondContact CA-O 3.18Å; K128-C145 PolarHBondContact N-O 3.25Å; S129-C145 PolarHBondContact O-N 2.68Å; C145-A185 HydrophobicContact CB-CB 4.34Å; C145-C188 WeakPolarHBondContact SG-CB 3.44Å
146F83.3Confident76.2Confident4 Ų451.3 Ų51.32%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-94.7141.6-178.8-64.8-75.9000112Y99 V122 P123 R125 V127 L144 S154 C155 V157Y99-F146 WeakPolarHBondContact OH-CE1 3.48Å; V122-F146 HydrophobicContact CG1-CE1 3.94Å; V122-F146 HydrophobicContact CG1-CE2 4.47Å; V122-F146 HydrophobicContact CG1-CZ 3.44Å; V122-F146 VanDerWaalsContact CG1-CZ 3.44Å; P123-F146 HydrophobicContact CG-CD1 4.29Å; P123-F146 HydrophobicContact CG-CD2 4.07Å; P123-F146 HydrophobicContact CG-CE1 4.06Å; P123-F146 HydrophobicContact CG-CE2 3.86Å; P123-F146 HydrophobicContact CG-CG 4.28Å; P123-F146 HydrophobicContact CG-CZ 3.87Å; R125-F146 HydrophobicContact CB-CB 4.38Å; R125-F146 HydrophobicContact CB-CD1 3.86Å; R125-F146 HydrophobicContact CB-CG 4.48Å; V127-F146 HydrophobicContact CG2-CD1 3.92Å; V127-F146 HydrophobicContact CG2-CE1 3.6Å; V127-F146 HydrophobicContact CG2-CZ 4.35Å; L144-F146 HydrophobicContact CB-CE2 3.77Å; L144-F146 HydrophobicContact CB-CZ 3.82Å; L144-F146 HydrophobicContact CD1-CE2 4.47Å; L144-F146 HydrophobicContact CD1-CZ 3.86Å; F146-S154 WeakPolarHBondContact O-CA 3.28Å; F146-S154 WeakPolarHBondContact O-CB 3.39Å; F146-C155 PolarHBondContact N-O 2.63Å; F146-C155 PolarHBondContact O-N 2.96Å; F146-V157 HydrophobicContact CD2-CB 4.43Å; F146-V157 HydrophobicContact CD2-CG2 3.8Å; F146-V157 HydrophobicContact CE2-CB 3.84Å; F146-V157 HydrophobicContact CE2-CG2 3.58Å
147E81.8Confident77.2Confident57 Ų5745.3 Ų45.327%0.26626%0.256SS..PPolyproline II helixtrans-71.4141.3166.7-171.9167.5-150.500110.9R125 K126 K128R125-E147 WeakPolarHBondContact CD-O 3.32Å; K126-E147 HydrophobicContact CB-CB 4.45Å; K126-E147 WeakPolarHBondContact CD-OE2 3.41Å; K126-E147 PolarHBondContact O-N 2.89Å; K128-E147 WeakPolarHBondContact CE-OE1 3.42Å; K128-E147 WeakPolarHBondContact CE-OE2 3.16Å; K128-E147 HydrophobicContact CG-CB 4.11Å; K128-E147 VanDerWaalsContact NZ-CD 3.32Å; K128-E147 IonicContact NZ-OE1 2.68Å; K128-E147 PolarHBondContact NZ-OE1 3.48Å; K128-E147 IonicContact NZ-OE2 3.95Å
148G77.4Confident78.4Confident29 Ų2937.8 Ų37.830%0.29922%0.22SC..PPolyproline II helixtrans-71.4145.4173.100000111.5A152 S154G148-A152 CarbonylContact C-O 3.55Å; G148-A152 VanDerWaalsContact CA-O 3.3Å; G148-A152 WeakPolarHBondContact CA-O 3.26Å; G148-S154 WeakPolarHBondContact CA-OG 3.31Å; G148-S154 PolarHBondContact N-OG 2.72Å
149I78.6Confident79.4Confident93 Ų9332.4 Ų32.448%0.47719%0.192SC..BIsolated β-bridgetrans-115.6164.3170.1-57175.6000106.5R125 D151 A152R125-I149 HydrophobicContact CB-CD1 4.42Å; R125-I149 HydrophobicContact CG-CD1 3.76Å; R125-I149 HydrophobicContact CG-CG1 4.49Å; I149-D151 PolarHBondContact O-N 2.82Å; I149-A152 PolarHBondContact N-O 3.02Å; I149-A152 CarbonylContact O-C 3.55Å; I149-A152 PolarHBondContact O-N 3.45Å
150T70.2Confident80Confident135 Ų13531.5 Ų31.583%0.82819%0.188SC*.THydrogen-bonded Turntrans-44.2-37.8178.554.40000113.6
151D73.5Confident80.1Confident152 Ų15230.2 Ų30.281%0.81318%0.179SC*.THydrogen-bonded Turntrans-96.8-4.7-172.7-57.9-5.8000113.1I149I149-D151 PolarHBondContact O-N 2.82Å
152A77.4Confident79.4Confident19 Ų1932.4 Ų32.416%0.15720%0.197CC..BIsolated β-bridgetrans-158.2132.6179.300000114.3G148 I149G148-A152 CarbonylContact C-O 3.55Å; G148-A152 VanDerWaalsContact CA-O 3.3Å; G148-A152 WeakPolarHBondContact CA-O 3.26Å; I149-A152 PolarHBondContact N-O 3.02Å; I149-A152 CarbonylContact O-C 3.55Å; I149-A152 PolarHBondContact O-N 3.45Å
153P84.9Confident78.4Confident69 Ų6934 Ų3445%0.44820%0.203SC..  trans-68.1162.2-176.530.5-36.7000112.6R125 Q181R125-P153 PolarHBondContact NH1-O 2.78Å; P153-Q181 HydrophobicContact CB-CG 4Å; P153-Q181 HydrophobicContact CG-CG 3.92Å
154S86.1Confident77Confident13 Ų1334 Ų349%0.09120%0.203CC..  trans-57.4142.3170.2-55.60000110.6F146 G148 I182F146-S154 WeakPolarHBondContact O-CA 3.28Å; F146-S154 WeakPolarHBondContact O-CB 3.39Å; G148-S154 WeakPolarHBondContact CA-OG 3.31Å; G148-S154 PolarHBondContact N-OG 2.72Å; S154-I182 CarbonylContact C-O 3.56Å; S154-I182 VanDerWaalsContact CB-O 3.27Å; S154-I182 WeakPolarHBondContact CB-O 3.43Å; S154-I182 PolarHBondContact O-N 3.26Å
155C85.8Confident75.5Confident12 Ų1238.2 Ų38.28%0.08123%0.225CC..EExtended strand (participates in β ladder)trans-147.4150.4-178.363.40000113F146 F180F146-C155 PolarHBondContact N-O 2.63Å; F146-C155 PolarHBondContact O-N 2.96Å; C155-F180 CarbonylContact C-O 3.55Å; C155-F180 WeakPolarHBondContact CA-O 3.41Å; C155-F180 WeakPolarHBondContact CB-O 3.3Å
156A86.1Confident73.6Confident0 Ų040.3 Ų40.30%024%0.239CC..EExtended strand (participates in β ladder)trans-102.3124.9167.800000109.4L143 L144 S179 F180 I182 F200L143-A156 HydrophobicContact CD1-CB 4.27Å; L144-A156 CarbonylContact O-C 3.56Å; L144-A156 WeakPolarHBondContact O-CA 3.43Å; A156-S179 WeakPolarHBondContact O-CA 3.43Å; A156-F180 PolarHBondContact N-O 3Å; A156-F180 PolarHBondContact O-N 3.25Å; A156-I182 HydrophobicContact CB-CD1 3.83Å; A156-I182 HydrophobicContact CB-CG1 4.37Å; A156-F200 HydrophobicContact CB-CE2 3.7Å; A156-F200 HydrophobicContact CB-CZ 3.79Å
157V84.3Confident71.7Confident3 Ų344.3 Ų44.32%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-120133.9-178.6-1760000109.8L144 F146 L159 M176L144-V157 PolarHBondContact N-O 3.23Å; L144-V157 PolarHBondContact O-N 3.05Å; F146-V157 HydrophobicContact CD2-CB 4.43Å; F146-V157 HydrophobicContact CD2-CG2 3.8Å; F146-V157 HydrophobicContact CE2-CB 3.84Å; F146-V157 HydrophobicContact CE2-CG2 3.58Å; V157-L159 HydrophobicContact CG1-CD2 3.8Å; V157-L159 HydrophobicContact CG1-CG 3.99Å; V157-M176 HydrophobicContact CG1-CG 3.72Å; V157-M176 HydrophobicContact CG1-SD 3.66Å; V157-M176 HydrophobicContact CG2-SD 4.44Å
158L83.2Confident69.6Low3 Ų349.8 Ų49.82%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-102.7119.2173.6-168.867.4000110.2A133 L135 H141 L143 L177 C178 W190 V213A133-L158 HydrophobicContact CB-CD1 3.48Å; A133-L158 VanDerWaalsContact CB-CD1 3.48Å; L135-L158 HydrophobicContact CD1-CD2 3.83Å; H141-L158 HydrophobicContact CB-CD1 3.71Å; H141-L158 HydrophobicContact CB-CG 4.06Å; L143-L158 HydrophobicContact CB-CD1 4.37Å; L143-L158 HydrophobicContact CD1-CD1 4.46Å; L158-L177 PolarHBondContact O-N 3.13Å; L158-C178 WeakPolarHBondContact CB-SG 3.44Å; L158-C178 PolarHBondContact N-O 3.5Å; L158-C178 VanDerWaalsContact N-O 3.14Å; L158-W190 HydrophobicContact CD1-CE3 4.45Å; L158-W190 HydrophobicContact CD1-CH2 4.45Å; L158-W190 HydrophobicContact CD1-CZ3 3.97Å; L158-W190 HydrophobicContact CD2-CH2 4.05Å; L158-W190 HydrophobicContact CD2-CZ3 4.22Å; L158-V213 HydrophobicContact CD2-CG1 4.32Å
159L78.1Confident67.6Low8 Ų852.4 Ų52.44%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-117135-178.5-62.9176.4000110.9V122 H141 I142 L144 V157 F164V122-L159 HydrophobicContact CG1-CD1 4.47Å; V122-L159 HydrophobicContact CG2-CD1 3.68Å; H141-L159 CarbonylContact C-O 3.42Å; H141-L159 WeakPolarHBondContact CA-O 3.26Å; I142-L159 PolarHBondContact N-O 3.01Å; I142-L159 PolarHBondContact O-N 3.13Å; L144-L159 HydrophobicContact CD1-CD1 3.81Å; V157-L159 HydrophobicContact CG1-CD2 3.8Å; V157-L159 HydrophobicContact CG1-CG 3.99Å; L159-F164 HydrophobicContact CD1-CZ 4.31Å
160P73.4Confident65.9Low6 Ų659.8 Ų59.84%0.03932%0.321CS..EExtended strand (participates in β ladder)trans-70.8132.2172.825.9-28.8000110.9S140 S162 R163S140-P160 CarbonylContact O-C 3.5Å; S140-P160 WeakPolarHBondContact O-CA 3.34Å; P160-S162 PolarHBondContact O-N 3.49Å; P160-R163 HydrophobicContact CG-CG 3.78Å; P160-R163 VanDerWaalsContact O-CB 3.28Å; P160-R163 WeakPolarHBondContact O-CB 3.23Å; P160-R163 WeakPolarHBondContact O-CG 3.5Å; P160-R163 PolarHBondContact O-N 3.47Å; P160-R163 VanDerWaalsContact O-N 3.11Å
161A68Low64.4Low4 Ų459 Ų593%0.03332%0.316CS..G310 helixtrans-60.9-27.2179.600000112.5I101 W132 S140 R163 F164I101-A161 HydrophobicContact CD1-CB 4.06Å; W132-A161 HydrophobicContact CZ3-CB 3.93Å; S140-A161 WeakPolarHBondContact O-CB 3.41Å; S140-A161 PolarHBondContact O-N 2.63Å; A161-R163 PolarHBondContact O-N 3.07Å; A161-R163 VanDerWaalsContact O-N 3.16Å; A161-F164 PolarHBondContact O-N 2.86Å
162S61.3Low62.9Low69 Ų6959.2 Ų59.248%0.48332%0.317SS..G310 helixtrans-58.3-25.117558.90000113.9P160 F164 L165P160-S162 PolarHBondContact O-N 3.49Å; S162-F164 PolarHBondContact O-N 3.28Å; S162-L165 PolarHBondContact O-N 2.77Å; S162-L165 VanDerWaalsContact O-N 3.15Å
163R59.2Low61.5Low36 Ų3662.4 Ų62.414%0.13633%0.329CS..G310 helixtrans-58.2-28.5173.5-74.4-100.1-176.6158.9-5112.9P160 A161 P174 G175P160-R163 HydrophobicContact CG-CG 3.78Å; P160-R163 VanDerWaalsContact O-CB 3.28Å; P160-R163 WeakPolarHBondContact O-CB 3.23Å; P160-R163 WeakPolarHBondContact O-CG 3.5Å; P160-R163 PolarHBondContact O-N 3.47Å; P160-R163 VanDerWaalsContact O-N 3.11Å; A161-R163 PolarHBondContact O-N 3.07Å; A161-R163 VanDerWaalsContact O-N 3.16Å; R163-P174 PolarHBondContact NE-O 2.68Å; R163-P174 PolarHBondContact NH2-O 2.66Å; R163-G175 VanDerWaalsContact NH2-CA 3.27Å
164F56.4Low59.6Low2 Ų262.7 Ų62.71%0.00933%0.331CS..G310 helixtrans-99.18.8-176.6-52.4-85.8000112.4F87 I101 L117 N119 I142 L159 A161 S162F87-F164 HydrophobicContact CE2-CD1 4.39Å; F87-F164 HydrophobicContact CE2-CD2 4.38Å; F87-F164 AromaticContact CE2-CE1 3.99Å; F87-F164 HydrophobicContact CE2-CE1 3.99Å; F87-F164 AromaticContact CE2-CE2 3.99Å; F87-F164 HydrophobicContact CE2-CE2 3.99Å; F87-F164 AromaticContact CE2-CZ 3.77Å; F87-F164 HydrophobicContact CE2-CZ 3.77Å; F87-F164 HydrophobicContact CZ-CZ 4.29Å; I101-F164 HydrophobicContact CB-CB 3.72Å; I101-F164 HydrophobicContact CD1-CB 3.51Å; I101-F164 HydrophobicContact CD1-CD2 3.78Å; I101-F164 HydrophobicContact CD1-CG 3.96Å; I101-F164 HydrophobicContact CG1-CB 3.43Å; I101-F164 VanDerWaalsContact CG1-CB 3.43Å; I101-F164 HydrophobicContact CG1-CD2 4.1Å; I101-F164 HydrophobicContact CG1-CG 3.86Å; L117-F164 WeakPolarHBondContact CD1-O 3.46Å; N119-F164 HydrophobicContact CB-CE1 4.01Å; I142-F164 HydrophobicContact CD1-CD2 4.39Å; I142-F164 HydrophobicContact CD1-CE2 4.07Å; L159-F164 HydrophobicContact CD1-CZ 4.31Å; A161-F164 PolarHBondContact O-N 2.86Å; S162-F164 PolarHBondContact O-N 3.28Å
165L52.5Low58Low88 Ų8864.1 Ų64.146%0.46135%0.348SS..THydrogen-bonded Turntrans-109.6-18.7-174.5-70172.9000115.1I101 S162I101-L165 HydrophobicContact CG2-CD2 4.13Å; S162-L165 PolarHBondContact O-N 2.77Å; S162-L165 VanDerWaalsContact O-N 3.15Å
166S43.6Very low56.7Low44 Ų4468.6 Ų68.631%0.30837%0.368SS..  trans-130.4127.1-178.481.40000114.2T169S166-T169 PolarHBondContact OG-OG1 2.88Å
167V43.9Very low55.7Low88 Ų8872.5 Ų72.553%0.53339%0.389SS..SBendtrans-83.7-16.8167.5179.10000111L64 L117L64-V167 HydrophobicContact CD1-CG2 4.43Å; L117-V167 HydrophobicContact CD2-CG2 3.47Å; L117-V167 VanDerWaalsContact CD2-CG2 3.47Å
168H37.9Very low55.1Low172 Ų17273.4 Ų73.480%0.79640%0.395SS*.SBendtrans-119.812.2-160.2-79.656.5000116.9
169T36Very low55.1Low85 Ų8576.2 Ų76.252%0.52142%0.415SS..  trans-123.986.3173.446.10000111.4S166 V171S166-T169 PolarHBondContact OG-OG1 2.88Å; T169-V171 PolarHBondContact O-N 3.17Å
170R42.2Very low55.4Low248 Ų24877.1 Ų77.194%0.93642%0.419SS*.  trans-73.915.2170.8-71.5-170.2-174.5-175.52.3113.7
171V38.5Very low56Low119 Ų11983.5 Ų83.572%0.72145%0.448SS*.SBendtrans-114.9107.3-175.3-172.50000108.4T169T169-V171 PolarHBondContact O-N 3.17Å
172N41Very low56.9Low156 Ų15683.6 Ų83.683%0.83445%0.448SS*.  trans57.979.5173.8-69.6-9.7000116.4
173Q48.3Very low58.2Low85 Ų8584 Ų8440%0.39745%0.449SS..  trans-93.8129.7162.6-66.4-168.6-6.200110.2G175Q173-G175 PolarHBondContact O-N 2.61Å
174P46.1Very low59.5Low76 Ų7686.1 Ų86.149%0.49446%0.46SS..  trans-60.8137.1170.724.6-30.8000109.5R163R163-P174 PolarHBondContact NE-O 2.68Å; R163-P174 PolarHBondContact NH2-O 2.66Å
175G51.8Low61.2Low43 Ų4386.3 Ų86.344%0.44346%0.462SS..  trans-54176.4177.900000114R163 Q173 L177R163-G175 VanDerWaalsContact NH2-CA 3.27Å; Q173-G175 PolarHBondContact O-N 2.61Å; G175-L177 PolarHBondContact O-N 3.48Å
176M58.1Low63Low105 Ų10585.3 Ų85.352%0.51745%0.452SS..  trans-46.6119.3159.2173.7174.566.300107.7V157V157-M176 HydrophobicContact CG1-CG 3.72Å; V157-M176 HydrophobicContact CG1-SD 3.66Å; V157-M176 HydrophobicContact CG2-SD 4.44Å
177L64.9Low65.3Low83 Ų8383.5 Ų83.544%0.43544%0.439SS..  trans-70.1-41.3-170.7-77.2164.9000110.8H141 L158 G175H141-L177 WeakPolarHBondContact CD2-CD1 3.25Å; H141-L177 WeakPolarHBondContact NE2-CD1 3.24Å; L158-L177 PolarHBondContact O-N 3.13Å; G175-L177 PolarHBondContact O-N 3.48Å
178C72.9Confident67.7Low22 Ų2279.7 Ų79.715%0.14942%0.417CS..EExtended strand (participates in β ladder)trans-160.9147.917746.60000111.2L158 F180 V213L158-C178 WeakPolarHBondContact CB-SG 3.44Å; L158-C178 PolarHBondContact N-O 3.5Å; L158-C178 VanDerWaalsContact N-O 3.14Å; C178-F180 HydrophobicContact CB-CD2 4.34Å; C178-F180 HydrophobicContact CB-CE2 3.54Å; C178-F180 HydrophobicContact CB-CZ 3.78Å; C178-F180 VanDerWaalsContact SG-CE2 3.5Å; C178-V213 HydrophobicContact CB-CG1 4.45Å; C178-V213 WeakPolarHBondContact SG-CG1 3.25Å
179S83Confident70.3Confident61 Ų6171.8 Ų71.843%0.42738%0.381SS..EExtended strand (participates in β ladder)trans-128.8124.8169.4178.40000107.4A156A156-S179 WeakPolarHBondContact O-CA 3.43Å
180F84.1Confident72.9Confident28 Ų2868.5 Ų68.512%0.12336%0.359CS..EExtended strand (participates in β ladder)trans-112.9125.9177.7-61.2-80.8000108.9C155 A156 C178 I182 F200 T211 V213C155-F180 CarbonylContact C-O 3.55Å; C155-F180 WeakPolarHBondContact CA-O 3.41Å; C155-F180 WeakPolarHBondContact CB-O 3.3Å; A156-F180 PolarHBondContact N-O 3Å; A156-F180 PolarHBondContact O-N 3.25Å; C178-F180 HydrophobicContact CB-CD2 4.34Å; C178-F180 HydrophobicContact CB-CE2 3.54Å; C178-F180 HydrophobicContact CB-CZ 3.78Å; C178-F180 VanDerWaalsContact SG-CE2 3.5Å; F180-I182 HydrophobicContact CB-CG2 4.41Å; F180-I182 PolarHBondContact O-N 3.01Å; F180-F200 HydrophobicContact CB-CZ 4.18Å; F180-F200 AromaticContact CD2-CE1 3.56Å; F180-F200 HydrophobicContact CD2-CE1 3.56Å; F180-F200 AromaticContact CD2-CZ 3.79Å; F180-F200 HydrophobicContact CD2-CZ 3.79Å; F180-F200 AromaticContact CE2-CE1 3.81Å; F180-F200 HydrophobicContact CE2-CE1 3.81Å; F180-F200 HydrophobicContact CE2-CZ 4.48Å; F180-F200 HydrophobicContact CG-CE1 4.18Å; F180-F200 HydrophobicContact CG-CZ 4.11Å; F180-T211 HydrophobicContact CD1-CG2 3.91Å; F180-T211 HydrophobicContact CE1-CG2 4.07Å; F180-T211 HydrophobicContact CG-CG2 4.18Å; F180-T211 HydrophobicContact CZ-CG2 4.46Å; F180-V213 HydrophobicContact CE2-CB 4.37Å; F180-V213 HydrophobicContact CE2-CG1 4.09Å; F180-V213 HydrophobicContact CE2-CG2 4Å; F180-V213 HydrophobicContact CZ-CB 4.26Å; F180-V213 HydrophobicContact CZ-CG1 4.05Å; F180-V213 HydrophobicContact CZ-CG2 4.31Å
181Q86.5Confident75.2Confident139 Ų13956.7 Ų56.765%0.6531%0.314SS*.EExtended strand (participates in β ladder)trans-70.2124.8168.6-170.9175-10.300108.2P153P153-Q181 HydrophobicContact CB-CG 4Å; P153-Q181 HydrophobicContact CG-CG 3.92Å
182I86.9Confident77.3Confident7 Ų756.1 Ų56.14%0.03631%0.307CS..  trans-132.4155.1177.857.6167.6000108.3S154 A156 F180 A185 A202 L209S154-I182 CarbonylContact C-O 3.56Å; S154-I182 VanDerWaalsContact CB-O 3.27Å; S154-I182 WeakPolarHBondContact CB-O 3.43Å; S154-I182 PolarHBondContact O-N 3.26Å; A156-I182 HydrophobicContact CB-CD1 3.83Å; A156-I182 HydrophobicContact CB-CG1 4.37Å; F180-I182 HydrophobicContact CB-CG2 4.41Å; F180-I182 PolarHBondContact O-N 3.01Å; I182-A185 HydrophobicContact CD1-CB 3.87Å; I182-A202 HydrophobicContact CD1-CB 3.92Å; I182-L209 HydrophobicContact CB-CD2 4.14Å; I182-L209 HydrophobicContact CG2-CD2 3.67Å
183P87.8Confident79.3Confident77 Ų7748.8 Ų48.850%0.527%0.268SS..SBendtrans-61.1173.5166-20.934.6000111.1A185 L204P183-A185 PolarHBondContact O-N 2.79Å; P183-L204 HydrophobicContact CB-CD1 3.94Å; P183-L204 HydrophobicContact CB-CD2 4.09Å; P183-L204 HydrophobicContact CG-CD1 3.7Å; P183-L204 WeakPolarHBondContact O-CD2 3.33Å
184E87.4Confident80.8Confident81 Ų8149.3 Ų49.338%0.37928%0.277SS..PPolyproline II helixtrans-57.4117.7177.7-167.9-176.9175.300111.3K128 L204K128-E184 IonicContact NZ-OE1 2.67Å; K128-E184 PolarHBondContact NZ-OE1 3.14Å; E184-L204 WeakPolarHBondContact O-CD2 3.43Å
185A90.8Very high82.4Confident5 Ų554.9 Ų54.94%0.04129%0.288CS..PPolyproline II helixtrans-99.4133-179.200000111.4K128 C145 I182 P183 A202 G203 L204K128-A185 VanDerWaalsContact CB-O 3.29Å; K128-A185 WeakPolarHBondContact CB-O 3.45Å; C145-A185 HydrophobicContact CB-CB 4.34Å; I182-A185 HydrophobicContact CD1-CB 3.87Å; P183-A185 PolarHBondContact O-N 2.79Å; A185-A202 HydrophobicContact CB-CB 4.16Å; A185-G203 CarbonylContact C-O 3.58Å; A185-G203 WeakPolarHBondContact CA-O 3.48Å; A185-L204 HydrophobicContact CB-CD2 3.91Å
186W91.1Very high83.8Confident68 Ų6853.5 Ų53.526%0.25827%0.273SS..SBendtrans-88.8-32.6172.6-64102.9000111.7G203 V227 L228W186-G203 PolarHBondContact N-O 3.44Å; W186-V227 VanDerWaalsContact CB-O 3.31Å; W186-V227 WeakPolarHBondContact CB-O 3.33Å; W186-L228 HydrophobicContact CB-CD2 4.17Å; W186-L228 HydrophobicContact CD2-CD2 4.3Å; W186-L228 HydrophobicContact CE3-CD2 4.46Å; W186-L228 HydrophobicContact CG-CD2 4.18Å
187S92.7Very high84.8Confident5 Ų553.4 Ų53.44%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-145157.1-177.955.20000111.8S129 A202 G203 V227 L228 Q230S129-S187 WeakPolarHBondContact OG-CA 3.26Å; S187-A202 CarbonylContact O-C 3.44Å; S187-A202 WeakPolarHBondContact O-CA 3.4Å; S187-G203 PolarHBondContact N-O 3.22Å; S187-G203 PolarHBondContact O-N 3.34Å; S187-V227 PolarHBondContact OG-O 2.96Å; S187-L228 WeakPolarHBondContact CB-O 3.29Å; S187-Q230 WeakPolarHBondContact OG-CG 3.27Å
188C93.4Very high85.8Confident9 Ų951.8 Ų51.86%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-140.6153.3170.169.70000112S129 L130 L143 C145 S201S129-C188 VanDerWaalsContact C-SG 3.59Å; S129-C188 PolarHBondContact OG-N 3.36Å; S129-C188 PolarHBondContact OG-SG 2.9Å; L130-C188 PolarHBondContact N-SG 3.42Å; L143-C188 HydrophobicContact CD2-CB 4.12Å; C145-C188 WeakPolarHBondContact SG-CB 3.44Å; C188-S201 VanDerWaalsContact CA-O 3.23Å; C188-S201 WeakPolarHBondContact CA-O 3.43Å
189A92.6Very high86.6Confident6 Ų651.4 Ų51.45%0.0526%0.255CS..EExtended strand (participates in β ladder)trans-145.1146.8175.200000110.5F200 S201 Q230 F232A189-F200 CarbonylContact O-C 3.47Å; A189-F200 WeakPolarHBondContact O-CA 3.35Å; A189-F200 WeakPolarHBondContact O-CB 3.36Å; A189-S201 PolarHBondContact N-O 3.42Å; A189-S201 PolarHBondContact O-N 3.01Å; A189-Q230 HydrophobicContact CB-CB 3.81Å; A189-F232 HydrophobicContact CB-CD2 3.76Å; A189-F232 HydrophobicContact CB-CE2 3.89Å; A189-F232 WeakPolarHBondContact O-CE2 3.36Å
190W91.2Very high87Confident15 Ų1548.5 Ų48.56%0.05724%0.235CC..EExtended strand (participates in β ladder)trans-104138.9172.5-172-89.6000110.2C131 W132 A133 S134 L135 L143 L158 Y197 F200 V213 F232C131-W190 PolarHBondContact SG-N 2.92Å; C131-W190 VanDerWaalsContact SG-N 3.43Å; W132-W190 VanDerWaalsContact O-CB 3.31Å; W132-W190 WeakPolarHBondContact O-CB 3.38Å; A133-W190 HydrophobicContact CB-CB 4.28Å; A133-W190 HydrophobicContact CB-CD2 3.45Å; A133-W190 VanDerWaalsContact CB-CD2 3.45Å; A133-W190 HydrophobicContact CB-CE3 3.52Å; A133-W190 HydrophobicContact CB-CG 3.78Å; A133-W190 HydrophobicContact CB-CZ2 4.48Å; A133-W190 HydrophobicContact CB-CZ3 4.08Å; S134-W190 PolarHBondContact O-NE1 3.38Å; L135-W190 HydrophobicContact CD2-CH2 4.2Å; L135-W190 HydrophobicContact CD2-CZ2 3.99Å; L135-W190 HydrophobicContact CG-CH2 4.47Å; L135-W190 HydrophobicContact CG-CZ2 4.18Å; L143-W190 HydrophobicContact CD2-CE3 4.44Å; L158-W190 HydrophobicContact CD1-CE3 4.45Å; L158-W190 HydrophobicContact CD1-CH2 4.45Å; L158-W190 HydrophobicContact CD1-CZ3 3.97Å; L158-W190 HydrophobicContact CD2-CH2 4.05Å; L158-W190 HydrophobicContact CD2-CZ3 4.22Å; W190-Y197 WeakPolarHBondContact CZ2-O 3.39Å; W190-Y197 PolarHBondContact NE1-O 2.96Å; W190-F200 HydrophobicContact CE3-CB 3.66Å; W190-F200 HydrophobicContact CZ3-CB 4Å; W190-F200 HydrophobicContact CZ3-CD1 4.31Å; W190-V213 HydrophobicContact CH2-CB 4.28Å; W190-V213 HydrophobicContact CH2-CG2 3.63Å; W190-V213 HydrophobicContact CZ3-CG2 3.72Å; W190-F232 WeakPolarHBondContact O-CD2 3.38Å
191S89.9Confident87.5Confident0 Ų047.2 Ų47.20%023%0.229CC..  trans-82.8122.5177.81710000111N193 A196 Y197 C199S191-N193 PolarHBondContact OG-N 2.81Å; S191-A196 WeakPolarHBondContact CB-O 3.15Å; S191-A196 PolarHBondContact OG-O 2.89Å; S191-Y197 WeakPolarHBondContact O-CA 3.24Å; S191-C199 VanDerWaalsContact CB-O 3.29Å; S191-C199 WeakPolarHBondContact CB-O 3.47Å; S191-C199 PolarHBondContact N-O 2.88Å
192L83.3Confident87.9Confident108 Ų10840.6 Ų40.657%0.56520%0.198SC*.  trans-91.8-3.5169.9-62.4175.2000112.3T194L192-T194 PolarHBondContact O-N 2.79Å
193N83.4Confident88.3Confident1 Ų140.2 Ų40.21%0.00520%0.196CC..  trans-68.3129.4-179-168.3-54.5000111S191 R195 A196 Y197 S234 T235 A236S191-N193 PolarHBondContact OG-N 2.81Å; N193-R195 PolarHBondContact O-N 3.34Å; N193-R195 WeakPolarHBondContact OD1-CB 3.33Å; N193-R195 PolarHBondContact OD1-N 3.46Å; N193-A196 CarbonylContact O-C 3.52Å; N193-A196 PolarHBondContact O-N 3.42Å; N193-Y197 WeakPolarHBondContact O-CA 3.23Å; N193-Y197 WeakPolarHBondContact O-CB 3.47Å; N193-Y197 PolarHBondContact O-N 3Å; N193-S234 WeakPolarHBondContact CA-O 3.14Å; N193-T235 VanDerWaalsContact ND2-C 3.34Å; N193-T235 PolarHBondContact ND2-O 3.49Å; N193-A236 PolarHBondContact ND2-O 3.27Å
194T79.4Confident88.6Confident97 Ų9736.9 Ų36.960%0.59517%0.174SC*.THydrogen-bonded Turntrans-53.8-24178.456.80000114.6L192 Y197L192-T194 PolarHBondContact O-N 2.79Å; T194-Y197 WeakPolarHBondContact O-CD1 3.38Å
195R79.4Confident88.9Confident192 Ų19236.1 Ų36.173%0.72518%0.177SC*.THydrogen-bonded Turntrans-86.9-20.4177.7-63.3-177.8176.61740.1113.9N193N193-R195 PolarHBondContact O-N 3.34Å; N193-R195 WeakPolarHBondContact OD1-CB 3.33Å; N193-R195 PolarHBondContact OD1-N 3.46Å
196A80.4Confident89Confident15 Ų1541.5 Ų41.512%0.12420%0.202CC..THydrogen-bonded Turntrans-134.225.4-175.100000112.2S191 N193 H198 C199 L253S191-A196 WeakPolarHBondContact CB-O 3.15Å; S191-A196 PolarHBondContact OG-O 2.89Å; N193-A196 CarbonylContact O-C 3.52Å; N193-A196 PolarHBondContact O-N 3.42Å; A196-H198 PolarHBondContact O-N 3.06Å; A196-H198 VanDerWaalsContact O-N 3.09Å; A196-C199 HydrophobicContact CB-CB 4.32Å; A196-C199 VanDerWaalsContact O-CB 3.29Å; A196-C199 WeakPolarHBondContact O-CB 3.13Å; A196-C199 PolarHBondContact O-N 3.21Å; A196-L253 HydrophobicContact CB-CD1 4.15Å
197Y80.5Confident89.2Confident103 Ų10342.9 Ų42.940%0.40421%0.211SC..THydrogen-bonded Turntrans-64.7-14.8-172.166.7-74.6000114.7W190 S191 N193 T194W190-Y197 WeakPolarHBondContact CZ2-O 3.39Å; W190-Y197 PolarHBondContact NE1-O 2.96Å; S191-Y197 WeakPolarHBondContact O-CA 3.24Å; N193-Y197 WeakPolarHBondContact O-CA 3.23Å; N193-Y197 WeakPolarHBondContact O-CB 3.47Å; N193-Y197 PolarHBondContact O-N 3Å; T194-Y197 WeakPolarHBondContact O-CD1 3.38Å
198H84.8Confident89.3Confident48 Ų4842.7 Ų42.722%0.22221%0.21CC..THydrogen-bonded Turntrans-943.9172.4-66.3-53.2000113.5A196 V213 A214A196-H198 PolarHBondContact O-N 3.06Å; A196-H198 VanDerWaalsContact O-N 3.09Å; H198-V213 WeakPolarHBondContact O-CB 3.31Å; H198-V213 WeakPolarHBondContact O-CG2 3.03Å; H198-V213 PolarHBondContact O-N 3.48Å; H198-A214 HydrophobicContact CB-CB 4.25Å
199C89.4Confident89.3Confident14 Ų1443 Ų4310%0.09521%0.211CC..EExtended strand (participates in β ladder)trans-102.5140-175.7-61.70000111.4S191 A196 L210 T211S191-C199 VanDerWaalsContact CB-O 3.29Å; S191-C199 WeakPolarHBondContact CB-O 3.47Å; S191-C199 PolarHBondContact N-O 2.88Å; A196-C199 HydrophobicContact CB-CB 4.32Å; A196-C199 VanDerWaalsContact O-CB 3.29Å; A196-C199 WeakPolarHBondContact O-CB 3.13Å; A196-C199 PolarHBondContact O-N 3.21Å; C199-L210 HydrophobicContact CB-CD1 4.06Å; C199-T211 VanDerWaalsContact CA-O 3.27Å; C199-T211 WeakPolarHBondContact CA-O 3.4Å
200F92.8Very high89.3Confident1 Ų143.6 Ų43.60%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-119.7157.3161.975.2-87.9000110.1L143 A156 F180 A189 W190 T211 V213L143-F200 HydrophobicContact CD1-CD2 4.38Å; L143-F200 HydrophobicContact CD1-CG 4.32Å; L143-F200 HydrophobicContact CD2-CB 3.66Å; L143-F200 HydrophobicContact CD2-CD2 3.78Å; L143-F200 HydrophobicContact CD2-CG 3.85Å; A156-F200 HydrophobicContact CB-CE2 3.7Å; A156-F200 HydrophobicContact CB-CZ 3.79Å; F180-F200 HydrophobicContact CB-CZ 4.18Å; F180-F200 AromaticContact CD2-CE1 3.56Å; F180-F200 HydrophobicContact CD2-CE1 3.56Å; F180-F200 AromaticContact CD2-CZ 3.79Å; F180-F200 HydrophobicContact CD2-CZ 3.79Å; F180-F200 AromaticContact CE2-CE1 3.81Å; F180-F200 HydrophobicContact CE2-CE1 3.81Å; F180-F200 HydrophobicContact CE2-CZ 4.48Å; F180-F200 HydrophobicContact CG-CE1 4.18Å; F180-F200 HydrophobicContact CG-CZ 4.11Å; A189-F200 CarbonylContact O-C 3.47Å; A189-F200 WeakPolarHBondContact O-CA 3.35Å; A189-F200 WeakPolarHBondContact O-CB 3.36Å; W190-F200 HydrophobicContact CE3-CB 3.66Å; W190-F200 HydrophobicContact CZ3-CB 4Å; W190-F200 HydrophobicContact CZ3-CD1 4.31Å; F200-T211 HydrophobicContact CD1-CG2 4.37Å; F200-T211 VanDerWaalsContact CE1-CB 3.44Å; F200-T211 HydrophobicContact CE1-CG2 3.53Å; F200-T211 HydrophobicContact CZ-CG2 3.81Å; F200-T211 PolarHBondContact N-O 3.42Å; F200-T211 PolarHBondContact O-N 2.62Å; F200-V213 HydrophobicContact CD1-CG2 3.52Å; F200-V213 HydrophobicContact CE1-CG2 3.86Å
201S94.4Very high89.4Confident0 Ų042.9 Ų42.90%021%0.21CC..EExtended strand (participates in β ladder)trans-114.6142.5173.3173.10000110C188 A189 V208 L209 Q230 L239C188-S201 VanDerWaalsContact CA-O 3.23Å; C188-S201 WeakPolarHBondContact CA-O 3.43Å; A189-S201 PolarHBondContact N-O 3.42Å; A189-S201 PolarHBondContact O-N 3.01Å; S201-V208 WeakPolarHBondContact OG-CG1 3.32Å; S201-L209 CarbonylContact C-O 3.6Å; S201-L209 WeakPolarHBondContact CA-O 3.44Å; S201-Q230 PolarHBondContact O-OE1 2.78Å; S201-Q230 VanDerWaalsContact OG-CD 3.23Å; S201-Q230 PolarHBondContact OG-NE2 3.02Å; S201-Q230 PolarHBondContact OG-OE1 2.8Å; S201-L239 WeakPolarHBondContact OG-CD2 3.39Å
202A94.8Very high89.4Confident0 Ų044.8 Ų44.80%022%0.221CC..EExtended strand (participates in β ladder)trans-119.2123.716600000109.3I182 A185 S187 L204 L209I182-A202 HydrophobicContact CD1-CB 3.92Å; A185-A202 HydrophobicContact CB-CB 4.16Å; S187-A202 CarbonylContact O-C 3.44Å; S187-A202 WeakPolarHBondContact O-CA 3.4Å; A202-L204 HydrophobicContact CB-CD2 4.3Å; A202-L209 PolarHBondContact N-O 3.18Å; A202-L209 PolarHBondContact O-N 3.37Å
203G94.2Very high89.6Confident0 Ų040.9 Ų40.90%020%0.201CC..EExtended strand (participates in β ladder)trans-83.1118.1173.100000109.8A185 W186 S187A185-G203 CarbonylContact C-O 3.58Å; A185-G203 WeakPolarHBondContact CA-O 3.48Å; W186-G203 PolarHBondContact N-O 3.44Å; S187-G203 PolarHBondContact N-O 3.22Å; S187-G203 PolarHBondContact O-N 3.34Å
204L94.4Very high89.7Confident6 Ų644.3 Ų44.33%0.03123%0.229CC..  trans-111.6-175.3-175.5-51.5176.1000110.3P183 E184 A185 A202 Q206 Q207 L209 V227P183-L204 HydrophobicContact CB-CD1 3.94Å; P183-L204 HydrophobicContact CB-CD2 4.09Å; P183-L204 HydrophobicContact CG-CD1 3.7Å; P183-L204 WeakPolarHBondContact O-CD2 3.33Å; E184-L204 WeakPolarHBondContact O-CD2 3.43Å; A185-L204 HydrophobicContact CB-CD2 3.91Å; A202-L204 HydrophobicContact CB-CD2 4.3Å; L204-Q206 PolarHBondContact O-N 3.37Å; L204-Q207 CarbonylContact C-O 3.52Å; L204-Q207 WeakPolarHBondContact CA-O 3.33Å; L204-Q207 HydrophobicContact CB-CB 4.39Å; L204-Q207 WeakPolarHBondContact CB-O 3.13Å; L204-Q207 PolarHBondContact N-O 2.85Å; L204-L209 HydrophobicContact CD1-CB 3.78Å; L204-L209 HydrophobicContact CD1-CD2 4.35Å; L204-L209 HydrophobicContact CG-CB 4.35Å; L204-V227 PolarHBondContact O-N 2.72Å; L204-V227 VanDerWaalsContact O-N 3.16Å
205S94.3Very high90Very high65 Ų6544.5 Ų44.546%0.45523%0.23SC..SBendtrans-68119.1167.7-171.60000110.6Q207 D226S205-Q207 PolarHBondContact O-N 3.45Å; S205-D226 VanDerWaalsContact CA-OD1 3.25Å; S205-D226 WeakPolarHBondContact CA-OD1 3.45Å; S205-D226 WeakPolarHBondContact CB-OD1 3.45Å; S205-D226 PolarHBondContact OG-OD1 2.68Å
206Q93.1Very high90.2Very high119 Ų11937.1 Ų37.156%0.55621%0.214SC*.SBendtrans54.113.6179.5-58.1-179-9.400115.8L204 A223L204-Q206 PolarHBondContact O-N 3.37Å; Q206-A223 PolarHBondContact O-N 3.34Å
207Q93.9Very high90.7Very high97 Ų9742.3 Ų42.345%0.45324%0.235SC..EExtended strand (participates in β ladder)trans-146.7152.7-176.2-62.7-1749.900111.2L204 S205 F221L204-Q207 CarbonylContact C-O 3.52Å; L204-Q207 WeakPolarHBondContact CA-O 3.33Å; L204-Q207 HydrophobicContact CB-CB 4.39Å; L204-Q207 WeakPolarHBondContact CB-O 3.13Å; L204-Q207 PolarHBondContact N-O 2.85Å; S205-Q207 PolarHBondContact O-N 3.45Å; Q207-F221 CarbonylContact C-O 3.57Å; Q207-F221 VanDerWaalsContact CA-O 3.29Å; Q207-F221 WeakPolarHBondContact CA-O 3.35Å
208V94.6Very high91.1Very high0 Ų041.4 Ų41.40%024%0.235CC..EExtended strand (participates in β ladder)trans-115.7126167.8175.90000107.8S201 S220 F221 V227 L239 N241 F249 I251S201-V208 WeakPolarHBondContact OG-CG1 3.32Å; V208-S220 CarbonylContact O-C 3.51Å; V208-S220 WeakPolarHBondContact O-CA 3.38Å; V208-F221 HydrophobicContact CB-CB 4.36Å; V208-F221 PolarHBondContact N-O 3.36Å; V208-F221 PolarHBondContact O-N 2.74Å; V208-V227 HydrophobicContact CG2-CB 4.43Å; V208-V227 HydrophobicContact CG2-CG1 4.21Å; V208-V227 HydrophobicContact CG2-CG2 3.76Å; V208-L239 HydrophobicContact CG1-CD2 3.9Å; V208-N241 WeakPolarHBondContact CG2-OD1 3.46Å; V208-F249 HydrophobicContact CG2-CZ 4.04Å; V208-I251 HydrophobicContact CB-CD1 3.95Å; V208-I251 HydrophobicContact CG1-CD1 3.86Å; V208-I251 HydrophobicContact CG2-CD1 4.11Å
209L94.3Very high91.4Very high16 Ų1640.6 Ų40.68%0.08423%0.231CC..EExtended strand (participates in β ladder)trans-105.7111.2177-175.965.9000109.6I182 S201 A202 L204 Q218I182-L209 HydrophobicContact CB-CD2 4.14Å; I182-L209 HydrophobicContact CG2-CD2 3.67Å; S201-L209 CarbonylContact C-O 3.6Å; S201-L209 WeakPolarHBondContact CA-O 3.44Å; A202-L209 PolarHBondContact N-O 3.18Å; A202-L209 PolarHBondContact O-N 3.37Å; L204-L209 HydrophobicContact CD1-CB 3.78Å; L204-L209 HydrophobicContact CD1-CD2 4.35Å; L204-L209 HydrophobicContact CG-CB 4.35Å; L209-Q218 HydrophobicContact CD1-CB 4.01Å
210L93.4Very high91.4Very high18 Ų1842.7 Ų42.79%0.09425%0.246CC..EExtended strand (participates in β ladder)trans-94.2123.1173-174.273.2000109.1C199 Q218 Q219 F221 F232 L253C199-L210 HydrophobicContact CB-CD1 4.06Å; L210-Q218 CarbonylContact O-C 3.32Å; L210-Q218 WeakPolarHBondContact O-CA 3.19Å; L210-Q219 PolarHBondContact N-O 2.86Å; L210-Q219 PolarHBondContact O-N 3.14Å; L210-F221 HydrophobicContact CB-CE2 4.02Å; L210-F221 HydrophobicContact CD2-CE2 4.25Å; L210-F232 HydrophobicContact CD1-CE1 4.02Å; L210-F232 HydrophobicContact CD1-CZ 3.64Å; L210-L253 HydrophobicContact CD1-CD2 4.29Å; L210-L253 HydrophobicContact CD2-CD2 3.78Å
211T92.4Very high91.4Very high0 Ų042.8 Ų42.80%025%0.246CC..EExtended strand (participates in β ladder)trans-121.4127.5-178.5-570000110F180 C199 F200 H217 Q218F180-T211 HydrophobicContact CD1-CG2 3.91Å; F180-T211 HydrophobicContact CE1-CG2 4.07Å; F180-T211 HydrophobicContact CG-CG2 4.18Å; F180-T211 HydrophobicContact CZ-CG2 4.46Å; C199-T211 VanDerWaalsContact CA-O 3.27Å; C199-T211 WeakPolarHBondContact CA-O 3.4Å; F200-T211 HydrophobicContact CD1-CG2 4.37Å; F200-T211 VanDerWaalsContact CE1-CB 3.44Å; F200-T211 HydrophobicContact CE1-CG2 3.53Å; F200-T211 HydrophobicContact CZ-CG2 3.81Å; F200-T211 PolarHBondContact N-O 3.42Å; F200-T211 PolarHBondContact O-N 2.62Å; T211-H217 WeakPolarHBondContact CA-O 3.38Å; T211-Q218 HydrophobicContact CG2-CG 3.94Å
212N89.5Confident91.2Very high41 Ų4144.5 Ų44.522%0.21927%0.265CS..EExtended strand (participates in β ladder)trans-87.3118.5169.3-175.6-49.7000109.3A214 T215 G216 H217N212-A214 PolarHBondContact O-N 2.79Å; N212-A214 WeakPolarHBondContact OD1-CB 3.34Å; N212-A214 PolarHBondContact OD1-N 2.86Å; N212-T215 WeakPolarHBondContact CB-OG1 3.44Å; N212-T215 PolarHBondContact OD1-N 3.25Å; N212-T215 VanDerWaalsContact OD1-N 3.08Å; N212-T215 PolarHBondContact OD1-OG1 3.35Å; N212-G216 VanDerWaalsContact O-CA 3.23Å; N212-G216 WeakPolarHBondContact O-CA 3.15Å; N212-G216 PolarHBondContact O-N 3.08Å; N212-H217 PolarHBondContact N-O 3.02Å
213V87.4Confident91.1Very high26 Ų2645.2 Ų45.216%0.15827%0.27CS..THydrogen-bonded Turntrans-69.1-34.3-176.1178.20000112.4L158 C178 F180 W190 H198 F200L158-V213 HydrophobicContact CD2-CG1 4.32Å; C178-V213 HydrophobicContact CB-CG1 4.45Å; C178-V213 WeakPolarHBondContact SG-CG1 3.25Å; F180-V213 HydrophobicContact CE2-CB 4.37Å; F180-V213 HydrophobicContact CE2-CG1 4.09Å; F180-V213 HydrophobicContact CE2-CG2 4Å; F180-V213 HydrophobicContact CZ-CB 4.26Å; F180-V213 HydrophobicContact CZ-CG1 4.05Å; F180-V213 HydrophobicContact CZ-CG2 4.31Å; W190-V213 HydrophobicContact CH2-CB 4.28Å; W190-V213 HydrophobicContact CH2-CG2 3.63Å; W190-V213 HydrophobicContact CZ3-CG2 3.72Å; H198-V213 WeakPolarHBondContact O-CB 3.31Å; H198-V213 WeakPolarHBondContact O-CG2 3.03Å; H198-V213 PolarHBondContact O-N 3.48Å; F200-V213 HydrophobicContact CD1-CG2 3.52Å; F200-V213 HydrophobicContact CE1-CG2 3.86Å
214A85.4Confident90.9Very high72 Ų7247.8 Ų47.860%0.59529%0.288SS*.THydrogen-bonded Turntrans-73.5-35.5-177.800000112.4H198 N212H198-A214 HydrophobicContact CB-CB 4.25Å; N212-A214 PolarHBondContact O-N 2.79Å; N212-A214 WeakPolarHBondContact OD1-CB 3.34Å; N212-A214 PolarHBondContact OD1-N 2.86Å
215T85.9Confident90.9Very high101 Ų10148.7 Ų48.762%0.6230%0.295SS*.THydrogen-bonded Turntrans-103.9-14.4-177.165.30000114N212 H217N212-T215 WeakPolarHBondContact CB-OG1 3.44Å; N212-T215 PolarHBondContact OD1-N 3.25Å; N212-T215 VanDerWaalsContact OD1-N 3.08Å; N212-T215 PolarHBondContact OD1-OG1 3.35Å; T215-H217 PolarHBondContact O-N 2.92Å; T215-H217 VanDerWaalsContact OG1-CB 3.3Å; T215-H217 WeakPolarHBondContact OG1-CB 3.39Å; T215-H217 PolarHBondContact OG1-N 2.9Å
216G85.3Confident91Very high37 Ų3746.4 Ų46.438%0.38128%0.278SS..  trans68.25.4-169.500000114.1N212 Q218N212-G216 VanDerWaalsContact O-CA 3.23Å; N212-G216 WeakPolarHBondContact O-CA 3.15Å; N212-G216 PolarHBondContact O-N 3.08Å; G216-Q218 PolarHBondContact O-N 2.86Å
217H89.1Confident91.2Very high124 Ų12440.7 Ų40.757%0.57425%0.251SS*.  trans-71.1131.3-178.3-173.968.2000111T211 N212 T215T211-H217 WeakPolarHBondContact CA-O 3.38Å; N212-H217 PolarHBondContact N-O 3.02Å; T215-H217 PolarHBondContact O-N 2.92Å; T215-H217 VanDerWaalsContact OG1-CB 3.3Å; T215-H217 WeakPolarHBondContact OG1-CB 3.39Å; T215-H217 PolarHBondContact OG1-N 2.9Å
218Q90.3Very high91.3Very high85 Ų8536.4 Ų36.440%0.39723%0.231SC..EExtended strand (participates in β ladder)trans-115135.4-179.8-67.6-173.6-22.100110.9L209 L210 T211 G216L209-Q218 HydrophobicContact CD1-CB 4.01Å; L210-Q218 CarbonylContact O-C 3.32Å; L210-Q218 WeakPolarHBondContact O-CA 3.19Å; T211-Q218 HydrophobicContact CG2-CG 3.94Å; G216-Q218 PolarHBondContact O-N 2.86Å
219Q89.8Confident91.3Very high31 Ų3136.8 Ų36.815%0.14523%0.234CC..EExtended strand (participates in β ladder)trans-128.7129.6175.9-176.3175.7-11.100109.9L210 F221L210-Q219 PolarHBondContact N-O 2.86Å; L210-Q219 PolarHBondContact O-N 3.14Å; Q219-F221 HydrophobicContact CB-CE2 4.4Å; Q219-F221 VanDerWaalsContact CD-CZ 3.42Å; Q219-F221 HydrophobicContact CG-CE1 4.5Å; Q219-F221 HydrophobicContact CG-CE2 3.87Å; Q219-F221 HydrophobicContact CG-CZ 3.86Å; Q219-F221 VanDerWaalsContact NE2-CE1 3.3Å
220S90.9Very high91.3Very high57 Ų5737 Ų3740%0.39923%0.234SC..EExtended strand (participates in β ladder)trans-103.1143177.859.80000112.3V208 N257V208-S220 CarbonylContact O-C 3.51Å; V208-S220 WeakPolarHBondContact O-CA 3.38Å; S220-N257 PolarHBondContact O-ND2 3.41Å; S220-N257 VanDerWaalsContact O-ND2 3.14Å
221F91.6Very high91.4Very high3 Ų338.6 Ų38.61%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-127.4134.1174.3-57.7-89.8000109.7Q207 V208 L210 Q219 I251 W262Q207-F221 CarbonylContact C-O 3.57Å; Q207-F221 VanDerWaalsContact CA-O 3.29Å; Q207-F221 WeakPolarHBondContact CA-O 3.35Å; V208-F221 HydrophobicContact CB-CB 4.36Å; V208-F221 PolarHBondContact N-O 3.36Å; V208-F221 PolarHBondContact O-N 2.74Å; L210-F221 HydrophobicContact CB-CE2 4.02Å; L210-F221 HydrophobicContact CD2-CE2 4.25Å; Q219-F221 HydrophobicContact CB-CE2 4.4Å; Q219-F221 VanDerWaalsContact CD-CZ 3.42Å; Q219-F221 HydrophobicContact CG-CE1 4.5Å; Q219-F221 HydrophobicContact CG-CE2 3.87Å; Q219-F221 HydrophobicContact CG-CZ 3.86Å; Q219-F221 VanDerWaalsContact NE2-CE1 3.3Å; F221-I251 HydrophobicContact CB-CD1 3.89Å; F221-I251 HydrophobicContact CD1-CG2 3.87Å; F221-I251 HydrophobicContact CD2-CD1 3.98Å; F221-I251 HydrophobicContact CD2-CG2 4.24Å; F221-I251 HydrophobicContact CE1-CG2 3.64Å; F221-I251 HydrophobicContact CE2-CG2 4.05Å; F221-I251 HydrophobicContact CG-CD1 3.92Å; F221-I251 HydrophobicContact CG-CG2 4.14Å; F221-I251 HydrophobicContact CZ-CG2 3.72Å; F221-W262 HydrophobicContact CB-CE3 4.46Å; F221-W262 HydrophobicContact CB-CH2 4.32Å; F221-W262 HydrophobicContact CB-CZ3 4.29Å; F221-W262 HydrophobicContact CD1-CB 4.25Å; F221-W262 AromaticContact CD1-CD2 3.84Å; F221-W262 HydrophobicContact CD1-CD2 3.84Å; F221-W262 HydrophobicContact CD1-CE3 4.01Å; F221-W262 AromaticContact CD1-CG 3.93Å; F221-W262 HydrophobicContact CD1-CG 3.93Å; F221-W262 HydrophobicContact CE1-CB 4.12Å; F221-W262 HydrophobicContact CE1-CG 4.27Å
222G91.1Very high91.5Very high37 Ų3739.2 Ų39.238%0.38124%0.244SC..EExtended strand (participates in β ladder)trans-81.8123.7-177.500000113.2W262 R263G222-W262 WeakPolarHBondContact O-CH2 3.39Å; G222-W262 WeakPolarHBondContact O-CZ2 3.28Å; G222-R263 PolarHBondContact O-NH2 2.9Å
223A92Very high91.6Very high14 Ų1437.3 Ų37.312%0.11623%0.234CC..  trans-99.2163174.400000111.3Q206 S225 V227 F249Q206-A223 PolarHBondContact O-N 3.34Å; A223-S225 VanDerWaalsContact C-N 3.32Å; A223-S225 WeakPolarHBondContact CB-O 3.37Å; A223-V227 HydrophobicContact CB-CG2 3.68Å; A223-F249 HydrophobicContact CB-CE1 3.96Å; A223-F249 HydrophobicContact CB-CZ 3.86Å
224S90.3Very high91.6Very high55 Ų5538.7 Ų38.739%0.38525%0.245SC..SBendtrans-75.5-22.5176.355.40000113.3S245 E247S224-S245 PolarHBondContact OG-OG 3.42Å; S224-E247 VanDerWaalsContact CB-OE2 3.23Å; S224-E247 WeakPolarHBondContact CB-OE2 3.18Å; S224-E247 PolarHBondContact OG-OE2 3.2Å
225S95.1Very high91.8Very high24 Ų2440 Ų4017%0.16825%0.246CC..SBendtrans-159.8176.6-177-174.40000109.8A223 V227A223-S225 VanDerWaalsContact C-N 3.32Å; A223-S225 WeakPolarHBondContact CB-O 3.37Å; S225-V227 PolarHBondContact O-N 2.91Å
226D95.8Very high92Very high17 Ų1736.4 Ų36.49%0.09123%0.227CC..  trans-47.9134172.5-59.3-10.1000112.5S205 L228 C243 R244S205-D226 VanDerWaalsContact CA-OD1 3.25Å; S205-D226 WeakPolarHBondContact CA-OD1 3.45Å; S205-D226 WeakPolarHBondContact CB-OD1 3.45Å; S205-D226 PolarHBondContact OG-OD1 2.68Å; D226-L228 HydrophobicContact CB-CD2 4.12Å; D226-C243 CarbonylContact O-C 3.56Å; D226-C243 VanDerWaalsContact O-CA 3.26Å; D226-C243 WeakPolarHBondContact O-CA 3.29Å; D226-R244 HydrophobicContact CB-CB 4.25Å; D226-R244 PolarHBondContact O-N 3.41Å; D226-R244 IonicContact OD2-CZ 2.76Å; D226-R244 IonicContact OD2-NE 3.86Å; D226-R244 IonicContact OD2-NH1 2.97Å; D226-R244 PolarHBondContact OD2-NH1 3.01Å; D226-R244 IonicContact OD2-NH2 4Å; D226-R244 PolarHBondContact OD2-NH2 3.26Å
227V96.8Very high92.2Very high0 Ų035.4 Ų35.40%021%0.213CC..EExtended strand (participates in β ladder)trans-97.3102.5-175.5-179.70000110.1W186 S187 L204 V208 A223 S225 Q230 N241 G242W186-V227 VanDerWaalsContact CB-O 3.31Å; W186-V227 WeakPolarHBondContact CB-O 3.33Å; S187-V227 PolarHBondContact OG-O 2.96Å; L204-V227 PolarHBondContact O-N 2.72Å; L204-V227 VanDerWaalsContact O-N 3.16Å; V208-V227 HydrophobicContact CG2-CB 4.43Å; V208-V227 HydrophobicContact CG2-CG1 4.21Å; V208-V227 HydrophobicContact CG2-CG2 3.76Å; A223-V227 HydrophobicContact CB-CG2 3.68Å; S225-V227 PolarHBondContact O-N 2.91Å; V227-Q230 HydrophobicContact CG1-CG 3.7Å; V227-N241 HydrophobicContact CG1-CB 3.95Å; V227-G242 CarbonylContact C-O 3.54Å
228L95.5Very high92.4Very high7 Ų731 Ų314%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-94.2-20.2-170.1-50.5-178000113.5W186 S187 D226 G242 R244 A272 V273 Y317W186-L228 HydrophobicContact CB-CD2 4.17Å; W186-L228 HydrophobicContact CD2-CD2 4.3Å; W186-L228 HydrophobicContact CE3-CD2 4.46Å; W186-L228 HydrophobicContact CG-CD2 4.18Å; S187-L228 WeakPolarHBondContact CB-O 3.29Å; D226-L228 HydrophobicContact CB-CD2 4.12Å; L228-G242 PolarHBondContact N-O 3.14Å; L228-R244 HydrophobicContact CD1-CB 3.88Å; L228-R244 HydrophobicContact CD1-CG 4.36Å; L228-R244 HydrophobicContact CD2-CB 4.49Å; L228-R244 HydrophobicContact CG-CB 4.19Å; L228-A272 HydrophobicContact CD1-CB 4.08Å; L228-V273 WeakPolarHBondContact CB-O 3.37Å; L228-Y317 HydrophobicContact CB-CE1 4.22Å
229A95.1Very high92.6Very high7 Ų726.9 Ų26.96%0.05818%0.175CC..EExtended strand (participates in β ladder)trans-140.6141.2-17900000110.8N241 G242 V276A229-N241 CarbonylContact O-C 3.54Å; A229-N241 WeakPolarHBondContact O-CA 3.45Å; A229-G242 PolarHBondContact N-O 3.32Å; A229-G242 PolarHBondContact O-N 3.35Å; A229-V276 HydrophobicContact CB-CB 4.39Å; A229-V276 HydrophobicContact CB-CG2 3.94Å
230Q95.6Very high92.9Very high20 Ų2025.6 Ų25.69%0.09317%0.168CC..EExtended strand (participates in β ladder)trans-144144.3-179.2-67.9-171.3-44.500111.5S187 A189 S201 V227 L239 F240 N241S187-Q230 WeakPolarHBondContact OG-CG 3.27Å; A189-Q230 HydrophobicContact CB-CB 3.81Å; S201-Q230 PolarHBondContact O-OE1 2.78Å; S201-Q230 VanDerWaalsContact OG-CD 3.23Å; S201-Q230 PolarHBondContact OG-NE2 3.02Å; S201-Q230 PolarHBondContact OG-OE1 2.8Å; V227-Q230 HydrophobicContact CG1-CG 3.7Å; Q230-L239 HydrophobicContact CB-CD1 4.36Å; Q230-F240 WeakPolarHBondContact CA-O 3.18Å; Q230-N241 WeakPolarHBondContact CG-OD1 3.24Å; Q230-N241 PolarHBondContact NE2-OD1 3.3Å
231Q94.8Very high93.2Very high52 Ų5222.9 Ų22.924%0.24315%0.149CC..EExtended strand (participates in β ladder)trans-155.9136.4167.9-160.8-170.613.200112.1F240 V276 Q277Q231-F240 PolarHBondContact N-O 3.07Å; Q231-F240 PolarHBondContact O-N 3.48Å; Q231-V276 PolarHBondContact OE1-O 2.91Å; Q231-Q277 VanDerWaalsContact OE1-C 3.28Å
232F93.7Very high93.5Very high13 Ų1322.8 Ų22.86%0.05715%0.149CC..EExtended strand (participates in β ladder)trans-80.2141.6171.5-74.8-87.7000111.3A189 W190 L210 L239 L253A189-F232 HydrophobicContact CB-CD2 3.76Å; A189-F232 HydrophobicContact CB-CE2 3.89Å; A189-F232 WeakPolarHBondContact O-CE2 3.36Å; W190-F232 WeakPolarHBondContact O-CD2 3.38Å; L210-F232 HydrophobicContact CD1-CE1 4.02Å; L210-F232 HydrophobicContact CD1-CZ 3.64Å; F232-L239 HydrophobicContact CD1-CB 4.02Å; F232-L239 HydrophobicContact CD1-CD1 4.09Å; F232-L239 HydrophobicContact CD2-CD1 3.87Å; F232-L239 HydrophobicContact CE1-CB 3.9Å; F232-L239 HydrophobicContact CE1-CD1 4.05Å; F232-L239 HydrophobicContact CE1-CD2 4.18Å; F232-L239 HydrophobicContact CE1-CG 4.26Å; F232-L239 HydrophobicContact CE2-CD1 3.82Å; F232-L239 HydrophobicContact CG-CD1 4.02Å; F232-L239 HydrophobicContact CZ-CB 4.47Å; F232-L239 HydrophobicContact CZ-CD1 3.92Å; F232-L239 HydrophobicContact CZ-CD2 3.99Å; F232-L239 HydrophobicContact CZ-CG 4.35Å; F232-L253 HydrophobicContact CD1-CD1 3.88Å; F232-L253 HydrophobicContact CE1-CD1 3.72Å; F232-L253 HydrophobicContact CE1-CD2 4.16Å
233A92.7Very high93.7Very high1 Ų121 Ų211%0.00813%0.131CC..  trans-66.5142.4158.100000109.9A236 L238 F240 I278 E282A233-A236 HydrophobicContact CB-CB 3.96Å; A233-A236 WeakPolarHBondContact CB-O 3.35Å; A233-L238 HydrophobicContact CB-CB 4.2Å; A233-L238 PolarHBondContact N-O 3.14Å; A233-F240 HydrophobicContact CB-CE2 4.38Å; A233-I278 HydrophobicContact CB-CD1 4.27Å; A233-E282 WeakPolarHBondContact CB-OE1 3.15Å
234S87.2Confident93.9Very high55 Ų5525.2 Ų25.239%0.38514%0.144SC..SBendtrans-77.9-38.1177.464.50000112.3N193 E282N193-S234 WeakPolarHBondContact CA-O 3.14Å; S234-E282 WeakPolarHBondContact CA-OE1 3.07Å; S234-E282 PolarHBondContact N-OE1 2.78Å; S234-E282 PolarHBondContact OG-OE1 2.84Å
235T89.2Confident94.2Very high101 Ų10124.8 Ų24.862%0.6214%0.141SC*.SBendtrans-105.4-49.8-176.882.90000111.5N193 E282N193-T235 VanDerWaalsContact ND2-C 3.34Å; N193-T235 PolarHBondContact ND2-O 3.49Å; T235-E282 PolarHBondContact N-OE1 2.85Å; T235-E282 VanDerWaalsContact OG1-CD 3.29Å; T235-E282 PolarHBondContact OG1-OE2 2.77Å
236A89.9Confident94.2Very high25 Ų2523.6 Ų23.621%0.20713%0.133CC..SBendtrans-76141.8177.800000110.4N193 A233 L238 E282N193-A236 PolarHBondContact ND2-O 3.27Å; A233-A236 HydrophobicContact CB-CB 3.96Å; A233-A236 WeakPolarHBondContact CB-O 3.35Å; A236-L238 HydrophobicContact CB-CB 4.45Å; A236-L238 HydrophobicContact CB-CD1 4.15Å; A236-L238 HydrophobicContact CB-CG 4.05Å; A236-L238 PolarHBondContact O-N 2.89Å; A236-E282 WeakPolarHBondContact CB-OE2 3.18Å; A236-E282 PolarHBondContact N-OE2 3.07Å
237P90.1Very high94.3Very high16 Ų1622.9 Ų22.910%0.10413%0.129CC..SBendtrans-78.454.6176.734.7-36.2000110.2L253 R254P237-L253 HydrophobicContact CB-CB 4.28Å; P237-L253 WeakPolarHBondContact O-CB 3.29Å; P237-L253 WeakPolarHBondContact O-CG 3.48Å; P237-L253 PolarHBondContact O-N 3.45Å; P237-R254 HydrophobicContact CB-CG 4.14Å; P237-R254 HydrophobicContact CG-CG 3.8Å
238L93.1Very high94.3Very high30 Ų3023 Ų2316%0.15713%0.129CC..EExtended strand (participates in β ladder)trans-117.5142.2-177.6-63.8-179.9000110.6A233 A236 F240 I251 D252 A264A233-L238 HydrophobicContact CB-CB 4.2Å; A233-L238 PolarHBondContact N-O 3.14Å; A236-L238 HydrophobicContact CB-CB 4.45Å; A236-L238 HydrophobicContact CB-CD1 4.15Å; A236-L238 HydrophobicContact CB-CG 4.05Å; A236-L238 PolarHBondContact O-N 2.89Å; L238-F240 HydrophobicContact CB-CE2 3.86Å; L238-F240 HydrophobicContact CB-CZ 4.36Å; L238-F240 HydrophobicContact CD1-CE2 4.28Å; L238-F240 HydrophobicContact CD1-CZ 4.02Å; L238-I251 VanDerWaalsContact CA-O 3.31Å; L238-I251 WeakPolarHBondContact CA-O 3.33Å; L238-D252 HydrophobicContact CD2-CB 4.12Å; L238-A264 HydrophobicContact CD2-CB 3.81Å
239L94.6Very high94.3Very high0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-118.1116.2168.9168.862.8000108.7S201 V208 Q230 F232 N241 A250 I251 L253S201-L239 WeakPolarHBondContact OG-CD2 3.39Å; V208-L239 HydrophobicContact CG1-CD2 3.9Å; Q230-L239 HydrophobicContact CB-CD1 4.36Å; F232-L239 HydrophobicContact CD1-CB 4.02Å; F232-L239 HydrophobicContact CD1-CD1 4.09Å; F232-L239 HydrophobicContact CD2-CD1 3.87Å; F232-L239 HydrophobicContact CE1-CB 3.9Å; F232-L239 HydrophobicContact CE1-CD1 4.05Å; F232-L239 HydrophobicContact CE1-CD2 4.18Å; F232-L239 HydrophobicContact CE1-CG 4.26Å; F232-L239 HydrophobicContact CE2-CD1 3.82Å; F232-L239 HydrophobicContact CG-CD1 4.02Å; F232-L239 HydrophobicContact CZ-CB 4.47Å; F232-L239 HydrophobicContact CZ-CD1 3.92Å; F232-L239 HydrophobicContact CZ-CD2 3.99Å; F232-L239 HydrophobicContact CZ-CG 4.35Å; L239-N241 PolarHBondContact O-ND2 2.98Å; L239-A250 CarbonylContact O-C 3.45Å; L239-A250 VanDerWaalsContact O-CA 3.3Å; L239-A250 WeakPolarHBondContact O-CA 3.46Å; L239-I251 HydrophobicContact CB-CB 4.35Å; L239-I251 HydrophobicContact CD2-CD1 4.2Å; L239-I251 PolarHBondContact N-O 3.29Å; L239-I251 PolarHBondContact O-N 2.86Å; L239-L253 HydrophobicContact CB-CD2 4.15Å
240F96.1Very high94.3Very high4 Ų422.4 Ų22.42%0.01813%0.125CC..EExtended strand (participates in β ladder)trans-87.3137.8175.7-66.5-91.9000110.1Q230 Q231 A233 L238 A250 V276 I278 L285 L299Q230-F240 WeakPolarHBondContact CA-O 3.18Å; Q231-F240 PolarHBondContact N-O 3.07Å; Q231-F240 PolarHBondContact O-N 3.48Å; A233-F240 HydrophobicContact CB-CE2 4.38Å; L238-F240 HydrophobicContact CB-CE2 3.86Å; L238-F240 HydrophobicContact CB-CZ 4.36Å; L238-F240 HydrophobicContact CD1-CE2 4.28Å; L238-F240 HydrophobicContact CD1-CZ 4.02Å; F240-A250 HydrophobicContact CD1-CB 3.84Å; F240-A250 HydrophobicContact CE1-CB 3.69Å; F240-A250 HydrophobicContact CG-CB 4.44Å; F240-A250 HydrophobicContact CZ-CB 4.15Å; F240-V276 HydrophobicContact CB-CG1 3.94Å; F240-I278 HydrophobicContact CD2-CD1 3.95Å; F240-I278 HydrophobicContact CE2-CD1 3.3Å; F240-I278 HydrophobicContact CZ-CD1 3.8Å; F240-L285 HydrophobicContact CB-CD1 4.37Å; F240-L285 HydrophobicContact CD1-CD1 4.05Å; F240-L285 HydrophobicContact CD1-CD2 3.79Å; F240-L285 HydrophobicContact CD2-CD1 4.49Å; F240-L285 HydrophobicContact CE1-CD2 4.31Å; F240-L285 HydrophobicContact CG-CD1 4.04Å; F240-L285 HydrophobicContact CG-CD2 4.45Å; F240-L299 HydrophobicContact CE1-CD1 4.04Å; F240-L299 HydrophobicContact CE1-CD2 3.79Å; F240-L299 HydrophobicContact CZ-CD1 3.8Å; F240-L299 HydrophobicContact CZ-CD2 4.38Å
241N97.1Very high94.2Very high0 Ų021.4 Ų21.40%012%0.12CC..EExtended strand (participates in β ladder)trans-133.4132.4-176.7-57.1-88.6000109.2V208 V227 A229 Q230 L239 I248 F249 I251V208-N241 WeakPolarHBondContact CG2-OD1 3.46Å; V227-N241 HydrophobicContact CG1-CB 3.95Å; A229-N241 CarbonylContact O-C 3.54Å; A229-N241 WeakPolarHBondContact O-CA 3.45Å; Q230-N241 WeakPolarHBondContact CG-OD1 3.24Å; Q230-N241 PolarHBondContact NE2-OD1 3.3Å; L239-N241 PolarHBondContact O-ND2 2.98Å; N241-I248 CarbonylContact O-C 3.6Å; N241-I248 VanDerWaalsContact O-CA 3.24Å; N241-I248 WeakPolarHBondContact O-CA 3.4Å; N241-F249 HydrophobicContact CB-CD1 4.06Å; N241-F249 HydrophobicContact CB-CE1 3.58Å; N241-F249 HydrophobicContact CB-CE2 4.14Å; N241-F249 HydrophobicContact CB-CZ 3.63Å; N241-F249 PolarHBondContact N-O 3.28Å; N241-F249 PolarHBondContact ND2-O 2.99Å; N241-F249 PolarHBondContact O-N 3.1Å; N241-I251 WeakPolarHBondContact ND2-CD1 3.42Å
242G97.1Very high94Very high0 Ų019.9 Ų19.90%011%0.114CC..EExtended strand (participates in β ladder)trans-103.7129170.200000110.8V227 L228 A229V227-G242 CarbonylContact C-O 3.54Å; L228-G242 PolarHBondContact N-O 3.14Å; A229-G242 PolarHBondContact N-O 3.32Å; A229-G242 PolarHBondContact O-N 3.35Å
243C96.8Very high93.7Very high0 Ų020.8 Ų20.80%012%0.119CC..EExtended strand (participates in β ladder)trans-102.5156.9-179.4-77.80000113D226 S245 G246 E247 F249 V273D226-C243 CarbonylContact O-C 3.56Å; D226-C243 VanDerWaalsContact O-CA 3.26Å; D226-C243 WeakPolarHBondContact O-CA 3.29Å; C243-S245 WeakPolarHBondContact CB-OG 3.04Å; C243-S245 PolarHBondContact O-N 3.01Å; C243-G246 PolarHBondContact O-N 3.17Å; C243-E247 HydrophobicContact CB-CB 4.33Å; C243-E247 WeakPolarHBondContact CB-O 3.47Å; C243-E247 PolarHBondContact N-O 2.68Å; C243-F249 VanDerWaalsContact SG-CE1 3.57Å; C243-V273 PolarHBondContact O-N 2.94Å
244R96.1Very high93.4Very high102 Ų10228.3 Ų28.339%0.38515%0.147SC..THydrogen-bonded Turntrans-60.4-23.2168.5-175.1177.5-70.3155.58.4113.2D226 L228 G246 A272D226-R244 HydrophobicContact CB-CB 4.25Å; D226-R244 PolarHBondContact O-N 3.41Å; D226-R244 IonicContact OD2-CZ 2.76Å; D226-R244 IonicContact OD2-NE 3.86Å; D226-R244 IonicContact OD2-NH1 2.97Å; D226-R244 PolarHBondContact OD2-NH1 3.01Å; D226-R244 IonicContact OD2-NH2 4Å; D226-R244 PolarHBondContact OD2-NH2 3.26Å; L228-R244 HydrophobicContact CD1-CB 3.88Å; L228-R244 HydrophobicContact CD1-CG 4.36Å; L228-R244 HydrophobicContact CD2-CB 4.49Å; L228-R244 HydrophobicContact CG-CB 4.19Å; R244-G246 PolarHBondContact O-N 3.14Å; R244-A272 HydrophobicContact CB-CB 4.31Å; R244-A272 HydrophobicContact CG-CB 3.95Å; R244-A272 VanDerWaalsContact O-CA 3.26Å; R244-A272 WeakPolarHBondContact O-CA 3.44Å; R244-A272 VanDerWaalsContact O-CB 3.27Å; R244-A272 WeakPolarHBondContact O-CB 3.45Å
245S96Very high93Very high46 Ų4627.6 Ų27.632%0.32214%0.142SC..THydrogen-bonded Turntrans-73.2-6.7174.555.20000114.4S224 C243 E247 F268S224-S245 PolarHBondContact OG-OG 3.42Å; C243-S245 WeakPolarHBondContact CB-OG 3.04Å; C243-S245 PolarHBondContact O-N 3.01Å; S245-E247 VanDerWaalsContact C-N 3.28Å; S245-F268 WeakPolarHBondContact O-CE2 3.43Å; S245-F268 WeakPolarHBondContact O-CZ 3.11Å
246G95.7Very high91.9Very high0 Ų032.9 Ų32.90%015%0.151CC..SBendtrans87.8-9.5-171.400000114C243 R244 I248 F268 H269 S271C243-G246 PolarHBondContact O-N 3.17Å; R244-G246 PolarHBondContact O-N 3.14Å; G246-I248 PolarHBondContact O-N 3.24Å; G246-F268 CarbonylContact O-C 3.54Å; G246-F268 WeakPolarHBondContact O-CA 3.47Å; G246-H269 PolarHBondContact O-N 2.61Å; G246-S271 WeakPolarHBondContact CA-O 3.49Å
247E96.4Very high90.5Very high2 Ų235.9 Ų35.91%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-69.3131.8175.6-177175.2-17800111.1S224 C243 S245 F249 R263 R266 F268S224-E247 VanDerWaalsContact CB-OE2 3.23Å; S224-E247 WeakPolarHBondContact CB-OE2 3.18Å; S224-E247 PolarHBondContact OG-OE2 3.2Å; C243-E247 HydrophobicContact CB-CB 4.33Å; C243-E247 WeakPolarHBondContact CB-O 3.47Å; C243-E247 PolarHBondContact N-O 2.68Å; S245-E247 VanDerWaalsContact C-N 3.28Å; E247-F249 HydrophobicContact CG-CB 4.46Å; E247-F249 HydrophobicContact CG-CD1 4.38Å; E247-R263 IonicContact OE1-NH1 3.72Å; E247-R263 PolarHBondContact OE1-NH1 3.02Å; E247-R263 VanDerWaalsContact OE1-NH1 3.12Å; E247-R266 VanDerWaalsContact CD-NH2 3.32Å; E247-R266 HydrophobicContact CG-CG 4.13Å; E247-R266 IonicContact OE1-CZ 3.18Å; E247-R266 IonicContact OE1-NE 2.95Å; E247-R266 PolarHBondContact OE1-NE 3.45Å; E247-R266 IonicContact OE1-NH2 3.4Å; E247-R266 PolarHBondContact OE1-NH2 3.4Å; E247-R266 IonicContact OE2-CZ 3.33Å; E247-R266 IonicContact OE2-NE 3.82Å; E247-R266 IonicContact OE2-NH2 3.78Å; E247-R266 PolarHBondContact OE2-NH2 2.71Å; E247-F268 HydrophobicContact CB-CD2 4.41Å
248I97.1Very high88.8Confident2 Ų247 Ų471%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-110.2125.8164.8-54.5172.8000107.3N241 G246 R266 L267 V273 L285 A287N241-I248 CarbonylContact O-C 3.6Å; N241-I248 VanDerWaalsContact O-CA 3.24Å; N241-I248 WeakPolarHBondContact O-CA 3.4Å; G246-I248 PolarHBondContact O-N 3.24Å; I248-R266 CarbonylContact O-C 3.59Å; I248-R266 WeakPolarHBondContact O-CA 3.41Å; I248-L267 HydrophobicContact CB-CB 4.13Å; I248-L267 PolarHBondContact N-O 3.39Å; I248-L267 PolarHBondContact O-N 3.15Å; I248-V273 HydrophobicContact CD1-CG1 4.26Å; I248-V273 HydrophobicContact CD1-CG2 4.09Å; I248-V273 HydrophobicContact CG1-CB 4.39Å; I248-V273 HydrophobicContact CG1-CG1 4.1Å; I248-V273 HydrophobicContact CG1-CG2 3.63Å; I248-L285 HydrophobicContact CG2-CD2 3.7Å; I248-A287 HydrophobicContact CD1-CB 3.35Å
249F95.5Very high87.3Confident1 Ų147.7 Ų47.70%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-135.9149.1178.471.6-82.4000112.7V208 A223 N241 C243 E247 I251 W262 T265V208-F249 HydrophobicContact CG2-CZ 4.04Å; A223-F249 HydrophobicContact CB-CE1 3.96Å; A223-F249 HydrophobicContact CB-CZ 3.86Å; N241-F249 HydrophobicContact CB-CD1 4.06Å; N241-F249 HydrophobicContact CB-CE1 3.58Å; N241-F249 HydrophobicContact CB-CE2 4.14Å; N241-F249 HydrophobicContact CB-CZ 3.63Å; N241-F249 PolarHBondContact N-O 3.28Å; N241-F249 PolarHBondContact ND2-O 2.99Å; N241-F249 PolarHBondContact O-N 3.1Å; C243-F249 VanDerWaalsContact SG-CE1 3.57Å; E247-F249 HydrophobicContact CG-CB 4.46Å; E247-F249 HydrophobicContact CG-CD1 4.38Å; F249-I251 HydrophobicContact CD2-CG1 4.08Å; F249-I251 HydrophobicContact CE2-CD1 3.88Å; F249-I251 HydrophobicContact CE2-CG1 3.64Å; F249-W262 AromaticContact CD2-CZ3 3.93Å; F249-W262 HydrophobicContact CD2-CZ3 3.93Å; F249-W262 HydrophobicContact CE2-CH2 4.19Å; F249-W262 AromaticContact CE2-CZ3 3.72Å; F249-W262 HydrophobicContact CE2-CZ3 3.72Å; F249-T265 WeakPolarHBondContact CA-O 3.13Å
250A94.9Very high85.8Confident0 Ų057.6 Ų57.60%026%0.261CS..EExtended strand (participates in β ladder)trans-104.4134.2176.200000111L239 F240 R263 A264 T265L239-A250 CarbonylContact O-C 3.45Å; L239-A250 VanDerWaalsContact O-CA 3.3Å; L239-A250 WeakPolarHBondContact O-CA 3.46Å; F240-A250 HydrophobicContact CD1-CB 3.84Å; F240-A250 HydrophobicContact CE1-CB 3.69Å; F240-A250 HydrophobicContact CG-CB 4.44Å; F240-A250 HydrophobicContact CZ-CB 4.15Å; A250-R263 WeakPolarHBondContact O-CA 3.44Å; A250-A264 HydrophobicContact CB-CB 4.21Å; A250-A264 PolarHBondContact O-N 3.29Å; A250-T265 PolarHBondContact N-O 3.1Å
251I93.3Very high84.7Confident0 Ų060.3 Ų60.30%029%0.29CS..EExtended strand (participates in β ladder)trans-97.7125.4172.1-60.2169.7000108.5V208 F221 L238 L239 N241 F249 L253 W262V208-I251 HydrophobicContact CB-CD1 3.95Å; V208-I251 HydrophobicContact CG1-CD1 3.86Å; V208-I251 HydrophobicContact CG2-CD1 4.11Å; F221-I251 HydrophobicContact CB-CD1 3.89Å; F221-I251 HydrophobicContact CD1-CG2 3.87Å; F221-I251 HydrophobicContact CD2-CD1 3.98Å; F221-I251 HydrophobicContact CD2-CG2 4.24Å; F221-I251 HydrophobicContact CE1-CG2 3.64Å; F221-I251 HydrophobicContact CE2-CG2 4.05Å; F221-I251 HydrophobicContact CG-CD1 3.92Å; F221-I251 HydrophobicContact CG-CG2 4.14Å; F221-I251 HydrophobicContact CZ-CG2 3.72Å; L238-I251 VanDerWaalsContact CA-O 3.31Å; L238-I251 WeakPolarHBondContact CA-O 3.33Å; L239-I251 HydrophobicContact CB-CB 4.35Å; L239-I251 HydrophobicContact CD2-CD1 4.2Å; L239-I251 PolarHBondContact N-O 3.29Å; L239-I251 PolarHBondContact O-N 2.86Å; N241-I251 WeakPolarHBondContact ND2-CD1 3.42Å; F249-I251 HydrophobicContact CD2-CG1 4.08Å; F249-I251 HydrophobicContact CE2-CD1 3.88Å; F249-I251 HydrophobicContact CE2-CG1 3.64Å; I251-L253 HydrophobicContact CG2-CD2 4.45Å; I251-L253 PolarHBondContact O-N 3.42Å; I251-W262 CarbonylContact C-O 3.59Å; I251-W262 WeakPolarHBondContact CA-O 3.49Å; I251-W262 HydrophobicContact CB-CE3 4.45Å; I251-W262 HydrophobicContact CD1-CZ3 4.48Å; I251-W262 HydrophobicContact CG1-CE3 3.89Å; I251-W262 HydrophobicContact CG1-CZ3 3.81Å; I251-W262 HydrophobicContact CG2-CE3 4.28Å
252D91.4Very high84.1Confident19 Ų1961.6 Ų61.610%0.10230%0.295CS..EExtended strand (participates in β ladder)trans-79.8111.3167.6-169-24.2000110.5L238 R254 C255 W262 A264L238-D252 HydrophobicContact CD2-CB 4.12Å; D252-R254 PolarHBondContact O-N 2.91Å; D252-R254 WeakPolarHBondContact OD1-CB 3.2Å; D252-R254 WeakPolarHBondContact OD1-CG 3.44Å; D252-R254 IonicContact OD1-CZ 3.01Å; D252-R254 PolarHBondContact OD1-N 3.22Å; D252-R254 IonicContact OD1-NE 3.17Å; D252-R254 PolarHBondContact OD1-NE 2.85Å; D252-R254 IonicContact OD1-NH2 3.81Å; D252-R254 IonicContact OD2-CZ 3.54Å; D252-R254 IonicContact OD2-NE 3.65Å; D252-R254 PolarHBondContact OD2-NE 2.96Å; D252-R254 IonicContact OD2-NH2 2.68Å; D252-R254 PolarHBondContact OD2-NH2 3.19Å; D252-C255 WeakPolarHBondContact O-CB 3.17Å; D252-C255 PolarHBondContact O-N 2.76Å; D252-C255 VanDerWaalsContact O-N 3.11Å; D252-W262 PolarHBondContact N-O 2.95Å; D252-A264 HydrophobicContact CB-CB 4.48Å
253L88Confident83.6Confident32 Ų3266 Ų6617%0.16831%0.312CS..THydrogen-bonded Turntrans-69-13.2-177-55.9173.7000112.8A196 L210 F232 P237 L239 I251 C255A196-L253 HydrophobicContact CB-CD1 4.15Å; L210-L253 HydrophobicContact CD1-CD2 4.29Å; L210-L253 HydrophobicContact CD2-CD2 3.78Å; F232-L253 HydrophobicContact CD1-CD1 3.88Å; F232-L253 HydrophobicContact CE1-CD1 3.72Å; F232-L253 HydrophobicContact CE1-CD2 4.16Å; P237-L253 HydrophobicContact CB-CB 4.28Å; P237-L253 WeakPolarHBondContact O-CB 3.29Å; P237-L253 WeakPolarHBondContact O-CG 3.48Å; P237-L253 PolarHBondContact O-N 3.45Å; L239-L253 HydrophobicContact CB-CD2 4.15Å; I251-L253 HydrophobicContact CG2-CD2 4.45Å; I251-L253 PolarHBondContact O-N 3.42Å; L253-C255 VanDerWaalsContact C-N 3.34Å
254R85.3Confident83Confident159 Ų15968.5 Ų68.560%0.633%0.332SS*.THydrogen-bonded Turntrans-76.6-26.1174.1-58.4172.3-70.3-175.40.5111.7P237 D252 R256P237-R254 HydrophobicContact CB-CG 4.14Å; P237-R254 HydrophobicContact CG-CG 3.8Å; D252-R254 PolarHBondContact O-N 2.91Å; D252-R254 WeakPolarHBondContact OD1-CB 3.2Å; D252-R254 WeakPolarHBondContact OD1-CG 3.44Å; D252-R254 IonicContact OD1-CZ 3.01Å; D252-R254 PolarHBondContact OD1-N 3.22Å; D252-R254 IonicContact OD1-NE 3.17Å; D252-R254 PolarHBondContact OD1-NE 2.85Å; D252-R254 IonicContact OD1-NH2 3.81Å; D252-R254 IonicContact OD2-CZ 3.54Å; D252-R254 IonicContact OD2-NE 3.65Å; D252-R254 PolarHBondContact OD2-NE 2.96Å; D252-R254 IonicContact OD2-NH2 2.68Å; D252-R254 PolarHBondContact OD2-NH2 3.19Å; R254-R256 PolarHBondContact O-N 3.4Å; R254-R256 VanDerWaalsContact O-N 3.08Å
255C79.1Confident82.6Confident41 Ų4165 Ų6528%0.27732%0.322SS..  trans-77.896.8-178.4-66.50000110D252 L253 N257 W262D252-C255 WeakPolarHBondContact O-CB 3.17Å; D252-C255 PolarHBondContact O-N 2.76Å; D252-C255 VanDerWaalsContact O-N 3.11Å; L253-C255 VanDerWaalsContact C-N 3.34Å; C255-N257 PolarHBondContact O-N 2.76Å; C255-W262 HydrophobicContact CB-CB 3.94Å
256R66.3Low82.5Confident212 Ų21270.4 Ų70.480%0.834%0.335SS*.  trans-68.7129.7166.8-67.4-174174.3-171-1.7108.8R254 R258R254-R256 PolarHBondContact O-N 3.4Å; R254-R256 VanDerWaalsContact O-N 3.08Å; R256-R258 PolarHBondContact O-N 3.28Å
257N60.6Low82.5Confident87 Ų8771 Ų7147%0.46534%0.338SS..SBendtrans-34.836.2-169.4-135.90.8000120.9S220 C255S220-N257 PolarHBondContact O-ND2 3.41Å; S220-N257 VanDerWaalsContact O-ND2 3.14Å; C255-N257 PolarHBondContact O-N 2.76Å
258R54.9Low82.4Confident249 Ų24976.3 Ų76.394%0.9436%0.361SS*.SBendtrans-101.426.4-173.2-70.8-169.2175.1-170.3-0.8114.1R256R256-R258 PolarHBondContact O-N 3.28Å
259G61.6Low82.3Confident46 Ų4676.2 Ų76.247%0.47436%0.361SS..SBendtrans158.9-170.2172.200000115.4G261G259-G261 PolarHBondContact O-N 3.12Å
260K62.3Low82.2Confident208 Ų20880.8 Ų80.890%0.90439%0.386SS*.G310 helixtrans-72.4-0.1178.1-69.9-174.7177.91800114.8W262K260-W262 PolarHBondContact O-N 2.81Å
261G73.8Confident82.3Confident61 Ų6182.4 Ų82.463%0.62940%0.397SS*.G310 helixtrans-84.34-170.200000116.5G259G259-G261 PolarHBondContact O-N 3.12Å
262W83.7Confident82.4Confident27 Ų2782.7 Ų82.710%0.10240%0.399CS..G310 helixtrans-80.5-13.8-178.857-103.1000113.6F221 G222 F249 I251 D252 C255 K260F221-W262 HydrophobicContact CB-CE3 4.46Å; F221-W262 HydrophobicContact CB-CH2 4.32Å; F221-W262 HydrophobicContact CB-CZ3 4.29Å; F221-W262 HydrophobicContact CD1-CB 4.25Å; F221-W262 AromaticContact CD1-CD2 3.84Å; F221-W262 HydrophobicContact CD1-CD2 3.84Å; F221-W262 HydrophobicContact CD1-CE3 4.01Å; F221-W262 AromaticContact CD1-CG 3.93Å; F221-W262 HydrophobicContact CD1-CG 3.93Å; F221-W262 HydrophobicContact CE1-CB 4.12Å; F221-W262 HydrophobicContact CE1-CG 4.27Å; G222-W262 WeakPolarHBondContact O-CH2 3.39Å; G222-W262 WeakPolarHBondContact O-CZ2 3.28Å; F249-W262 AromaticContact CD2-CZ3 3.93Å; F249-W262 HydrophobicContact CD2-CZ3 3.93Å; F249-W262 HydrophobicContact CE2-CH2 4.19Å; F249-W262 AromaticContact CE2-CZ3 3.72Å; F249-W262 HydrophobicContact CE2-CZ3 3.72Å; I251-W262 CarbonylContact C-O 3.59Å; I251-W262 WeakPolarHBondContact CA-O 3.49Å; I251-W262 HydrophobicContact CB-CE3 4.45Å; I251-W262 HydrophobicContact CD1-CZ3 4.48Å; I251-W262 HydrophobicContact CG1-CE3 3.89Å; I251-W262 HydrophobicContact CG1-CZ3 3.81Å; I251-W262 HydrophobicContact CG2-CE3 4.28Å; D252-W262 PolarHBondContact N-O 2.95Å; C255-W262 HydrophobicContact CB-CB 3.94Å; K260-W262 PolarHBondContact O-N 2.81Å
263R86.1Confident82.7Confident93 Ų9381.8 Ų81.835%0.35139%0.394SS..EExtended strand (participates in β ladder)trans-84.1115.4176.1-71.2-173.4-174.2-1611.2110.4G222 E247 A250G222-R263 PolarHBondContact O-NH2 2.9Å; E247-R263 IonicContact OE1-NH1 3.72Å; E247-R263 PolarHBondContact OE1-NH1 3.02Å; E247-R263 VanDerWaalsContact OE1-NH1 3.12Å; A250-R263 WeakPolarHBondContact O-CA 3.44Å
264A84.3Confident83.1Confident52 Ų5280.7 Ų80.743%0.4339%0.389SS..EExtended strand (participates in β ladder)trans-94.4-35.7-177.500000113.7L238 A250 D252L238-A264 HydrophobicContact CD2-CB 3.81Å; A250-A264 HydrophobicContact CB-CB 4.21Å; A250-A264 PolarHBondContact O-N 3.29Å; D252-A264 HydrophobicContact CB-CB 4.48Å
265T89Confident83.5Confident28 Ų2874.2 Ų74.217%0.17237%0.368CS..EExtended strand (participates in β ladder)trans-143.9148.4-176.3-53.20000109.7F249 A250 L267 L299F249-T265 WeakPolarHBondContact CA-O 3.13Å; A250-T265 PolarHBondContact N-O 3.1Å; T265-L267 HydrophobicContact CG2-CD2 4.27Å; T265-L267 HydrophobicContact CG2-CG 4.21Å; T265-L299 HydrophobicContact CG2-CD2 4.29Å
266R92.6Very high84.3Confident160 Ų16072.7 Ų72.760%0.60436%0.357SS*.EExtended strand (participates in β ladder)trans-139122.5175.3-163.3-178.2-162.1-159.2-3.1109.8E247 I248E247-R266 VanDerWaalsContact CD-NH2 3.32Å; E247-R266 HydrophobicContact CG-CG 4.13Å; E247-R266 IonicContact OE1-CZ 3.18Å; E247-R266 IonicContact OE1-NE 2.95Å; E247-R266 PolarHBondContact OE1-NE 3.45Å; E247-R266 IonicContact OE1-NH2 3.4Å; E247-R266 PolarHBondContact OE1-NH2 3.4Å; E247-R266 IonicContact OE2-CZ 3.33Å; E247-R266 IonicContact OE2-NE 3.82Å; E247-R266 IonicContact OE2-NH2 3.78Å; E247-R266 PolarHBondContact OE2-NH2 2.71Å; I248-R266 CarbonylContact O-C 3.59Å; I248-R266 WeakPolarHBondContact O-CA 3.41Å
267L95.6Very high85.7Confident11 Ų1164.3 Ų64.36%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-126.8168.5174.3-45.6166.4000108.6I248 T265 L285 W297 L299 T302I248-L267 HydrophobicContact CB-CB 4.13Å; I248-L267 PolarHBondContact N-O 3.39Å; I248-L267 PolarHBondContact O-N 3.15Å; T265-L267 HydrophobicContact CG2-CD2 4.27Å; T265-L267 HydrophobicContact CG2-CG 4.21Å; L267-L285 HydrophobicContact CD1-CD2 3.99Å; L267-W297 HydrophobicContact CB-CD2 4.36Å; L267-W297 HydrophobicContact CB-CE3 4.35Å; L267-W297 HydrophobicContact CD1-CB 3.79Å; L267-W297 HydrophobicContact CD1-CD2 4.05Å; L267-W297 HydrophobicContact CD1-CE3 4.38Å; L267-W297 HydrophobicContact CD1-CG 3.78Å; L267-W297 HydrophobicContact CD2-CD2 4.45Å; L267-W297 HydrophobicContact CD2-CE3 3.96Å; L267-W297 HydrophobicContact CD2-CZ3 4.48Å; L267-W297 HydrophobicContact CG-CE3 4.47Å; L267-L299 HydrophobicContact CD1-CD2 4.09Å; L267-T302 HydrophobicContact CD2-CG2 4.4Å
268F95.6Very high87.3Confident114 Ų11460.9 Ų60.950%0.531%0.309SS..EExtended strand (participates in β ladder)trans-142.1130.3-175.3-158.9-100.4000112.2S245 G246 E247 W297S245-F268 WeakPolarHBondContact O-CE2 3.43Å; S245-F268 WeakPolarHBondContact O-CZ 3.11Å; G246-F268 CarbonylContact O-C 3.54Å; G246-F268 WeakPolarHBondContact O-CA 3.47Å; E247-F268 HydrophobicContact CB-CD2 4.41Å; F268-W297 WeakPolarHBondContact O-CH2 3.44Å; F268-W297 VanDerWaalsContact O-CZ2 3.25Å; F268-W297 WeakPolarHBondContact O-CZ2 3.44Å
269H95.4Very high89.1Confident0 Ų049.9 Ų49.90%027%0.269CS..  trans-101.6158164.5-91.3-113000110.3G246 S271 V273 A287 D289 W297G246-H269 PolarHBondContact O-N 2.61Å; H269-S271 WeakPolarHBondContact CB-O 3.45Å; H269-S271 PolarHBondContact O-N 2.84Å; H269-V273 HydrophobicContact CB-CG2 3.88Å; H269-A287 PolarHBondContact CE1-O 3.35Å; H269-D289 HydrophobicContact CB-CB 4.3Å; H269-D289 IonicContact CE1-OD2 2.68Å; H269-D289 IonicContact CG-OD2 3.1Å; H269-D289 IonicContact ND1-OD2 3.79Å; H269-D289 PolarHBondContact ND1-OD2 3.46Å; H269-W297 AromaticContact CD2-CZ2 3.97Å; H269-W297 AromaticContact CD2-NE1 3.71Å; H269-W297 AromaticContact NE2-CE2 3.92Å; H269-W297 AromaticContact NE2-NE1 3.16Å; H269-W297 PolarHBondContact NE2-NE1 3.43Å; H269-W297 VanDerWaalsContact NE2-NE1 3.16Å
270D93.1Very high90.3Very high98 Ų9853.8 Ų53.852%0.52428%0.275SS..SBendtrans-75.7-13.8-176.8-49.2-39.5000112.1K293 K295D270-K293 IonicContact OD2-NZ 2.96Å; D270-K293 PolarHBondContact OD2-NZ 3.04Å; D270-K295 IonicContact OD2-NZ 2.71Å
271S95.6Very high91.5Very high34 Ų3450.5 Ų50.524%0.23826%0.262CS..SBendtrans-143.6174.7178.9-172.30000110.6G246 H269 V273G246-S271 WeakPolarHBondContact CA-O 3.49Å; H269-S271 WeakPolarHBondContact CB-O 3.45Å; H269-S271 PolarHBondContact O-N 2.84Å; S271-V273 PolarHBondContact O-N 2.94Å
272A96.6Very high92.2Very high6 Ų648.6 Ų48.65%0.0524%0.237CC..  trans-51.2125.9-179.600000112.7L228 R244 T274 D289 M290L228-A272 HydrophobicContact CD1-CB 4.08Å; R244-A272 HydrophobicContact CB-CB 4.31Å; R244-A272 HydrophobicContact CG-CB 3.95Å; R244-A272 VanDerWaalsContact O-CA 3.26Å; R244-A272 WeakPolarHBondContact O-CA 3.44Å; R244-A272 VanDerWaalsContact O-CB 3.27Å; R244-A272 WeakPolarHBondContact O-CB 3.45Å; A272-T274 PolarHBondContact O-N 2.92Å; A272-D289 CarbonylContact O-C 3.56Å; A272-D289 WeakPolarHBondContact O-CA 3.23Å; A272-D289 WeakPolarHBondContact O-CB 3.49Å; A272-M290 HydrophobicContact CB-CB 4.31Å; A272-M290 HydrophobicContact CB-CG 3.72Å; A272-M290 HydrophobicContact CB-SD 3.38Å; A272-M290 WeakPolarHBondContact CB-SD 3.41Å; A272-M290 PolarHBondContact O-N 3.03Å
273V97.4Very high92.7Very high0 Ų050.8 Ų50.80%025%0.248CC..EExtended strand (participates in β ladder)trans-80.5120.2-177.5177.70000109.8L228 C243 I248 H269 S271 V276 A287 S288L228-V273 WeakPolarHBondContact CB-O 3.37Å; C243-V273 PolarHBondContact O-N 2.94Å; I248-V273 HydrophobicContact CD1-CG1 4.26Å; I248-V273 HydrophobicContact CD1-CG2 4.09Å; I248-V273 HydrophobicContact CG1-CB 4.39Å; I248-V273 HydrophobicContact CG1-CG1 4.1Å; I248-V273 HydrophobicContact CG1-CG2 3.63Å; H269-V273 HydrophobicContact CB-CG2 3.88Å; S271-V273 PolarHBondContact O-N 2.94Å; V273-V276 HydrophobicContact CG1-CG2 3.67Å; V273-A287 HydrophobicContact CG1-CB 4.29Å; V273-S288 CarbonylContact C-O 3.58Å; V273-S288 WeakPolarHBondContact CA-O 3.33Å
274T95.4Very high93.1Very high9 Ų947.7 Ų47.76%0.05524%0.241CC..EExtended strand (participates in β ladder)trans-102.8-21.4-172.855.10000114.2A272 S288 M290 Y317 L318A272-T274 PolarHBondContact O-N 2.92Å; T274-S288 PolarHBondContact N-O 2.71Å; T274-S288 PolarHBondContact OG1-O 3.21Å; T274-S288 PolarHBondContact OG1-OG 3.02Å; T274-M290 HydrophobicContact CG2-CB 4.14Å; T274-M290 HydrophobicContact CG2-CG 3.2Å; T274-M290 HydrophobicContact CG2-SD 4.48Å; T274-Y317 HydrophobicContact CG2-CD1 4.1Å; T274-Y317 HydrophobicContact CG2-CG 4.27Å; T274-L318 PolarHBondContact OG1-N 2.82Å; T274-L318 VanDerWaalsContact OG1-N 3.14Å; T274-L318 PolarHBondContact OG1-O 3.14Å
275S94.9Very high93.7Very high22 Ų2245.2 Ų45.215%0.15422%0.22CC..EExtended strand (participates in β ladder)trans-150.6147.7177.2-163.80000110A287 S288 L320S275-A287 VanDerWaalsContact O-CA 3.26Å; S275-A287 WeakPolarHBondContact O-CA 3.49Å; S275-S288 WeakPolarHBondContact CB-OG 3.33Å; S275-S288 PolarHBondContact N-OG 3.16Å; S275-S288 PolarHBondContact O-N 3.11Å; S275-L320 PolarHBondContact OG-N 2.97Å
276V96.2Very high94Very high9 Ų943.9 Ų43.96%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-138126.7178176.40000107.6A229 Q231 F240 V273 L285 M286 A287A229-V276 HydrophobicContact CB-CB 4.39Å; A229-V276 HydrophobicContact CB-CG2 3.94Å; Q231-V276 PolarHBondContact OE1-O 2.91Å; F240-V276 HydrophobicContact CB-CG1 3.94Å; V273-V276 HydrophobicContact CG1-CG2 3.67Å; V276-L285 HydrophobicContact CG1-CD1 3.47Å; V276-L285 VanDerWaalsContact CG1-CD1 3.47Å; V276-L285 HydrophobicContact CG1-CD2 3.96Å; V276-L285 HydrophobicContact CG1-CG 3.9Å; V276-M286 CarbonylContact C-O 3.54Å; V276-M286 WeakPolarHBondContact CA-O 3.04Å; V276-A287 HydrophobicContact CG2-CB 4.42Å
277Q94.7Very high94.3Very high37 Ų3736.3 Ų36.317%0.17318%0.183CC..EExtended strand (participates in β ladder)trans-132.2111.1177.4-164.9166.4-1.800111.8Q231 M286 V322Q231-Q277 VanDerWaalsContact OE1-C 3.28Å; Q277-M286 HydrophobicContact CB-CB 4.41Å; Q277-M286 PolarHBondContact N-O 2.95Å; Q277-M286 PolarHBondContact O-N 3.15Å; Q277-V322 HydrophobicContact CB-CG2 4.36Å; Q277-V322 VanDerWaalsContact CD-CB 3.48Å; Q277-V322 HydrophobicContact CG-CB 4.38Å; Q277-V322 HydrophobicContact CG-CG2 4.25Å; Q277-V322 PolarHBondContact NE2-O 3.15Å
278I94.6Very high94.3Very high14 Ų1435.8 Ų35.87%0.07218%0.181CC..EExtended strand (participates in β ladder)trans-79.3137.7171.7-166.2158.9000109.9A233 F240 E282 L285 L299A233-I278 HydrophobicContact CB-CD1 4.27Å; F240-I278 HydrophobicContact CD2-CD1 3.95Å; F240-I278 HydrophobicContact CE2-CD1 3.3Å; F240-I278 HydrophobicContact CZ-CD1 3.8Å; I278-E282 HydrophobicContact CD1-CB 3.79Å; I278-E282 HydrophobicContact CD1-CG 3.76Å; I278-E282 HydrophobicContact CG1-CB 4.24Å; I278-E282 HydrophobicContact CG1-CG 4.04Å; I278-L285 HydrophobicContact CB-CD1 3.84Å; I278-L285 HydrophobicContact CG1-CD1 4.35Å; I278-L299 HydrophobicContact CD1-CD1 4.1Å
279L93.3Very high94.3Very high19 Ų1930.3 Ų30.310%0.09916%0.157CC..  trans-80.7160.4176.4-59.5-164.1000111.2E281 E282 C284 M286 L296 V322 E324 L343L279-E281 VanDerWaalsContact C-N 3.3Å; L279-E281 PolarHBondContact O-N 2.87Å; L279-E282 WeakPolarHBondContact O-CA 3.35Å; L279-E282 PolarHBondContact O-N 2.97Å; L279-C284 HydrophobicContact CB-CB 4.4Å; L279-C284 HydrophobicContact CD1-CB 3.77Å; L279-C284 HydrophobicContact CG-CB 4.07Å; L279-C284 PolarHBondContact N-O 3.34Å; L279-C284 VanDerWaalsContact N-O 3.07Å; L279-M286 HydrophobicContact CD2-CG 4.42Å; L279-L296 HydrophobicContact CD1-CD1 4.02Å; L279-V322 HydrophobicContact CD2-CG1 3.91Å; L279-E324 WeakPolarHBondContact CA-OE1 3.39Å; L279-E324 WeakPolarHBondContact CB-OE2 3.46Å; L279-E324 HydrophobicContact CD2-CG 4.03Å; L279-L343 HydrophobicContact CD1-CD1 4.45Å
280Q86.9Confident94.3Very high128 Ų12832 Ų3260%0.59817%0.165SC*.THydrogen-bonded Turntrans-58.6-36-169.3-171.4174200113.7E282 E324Q280-E282 VanDerWaalsContact C-N 3.28Å; Q280-E282 PolarHBondContact O-N 2.9Å; Q280-E324 VanDerWaalsContact N-CD 3.25Å; Q280-E324 PolarHBondContact N-OE1 3.33Å; Q280-E324 PolarHBondContact N-OE2 3.01Å
281E86.7Confident94.3Very high138 Ų13830 Ų3065%0.64516%0.156SC*.THydrogen-bonded Turntrans-80.4-5.8175.6-66-63.9158.900113.5L279 H283L279-E281 VanDerWaalsContact C-N 3.3Å; L279-E281 PolarHBondContact O-N 2.87Å; E281-H283 PolarHBondContact O-CE1 2.83Å; E281-H283 PolarHBondContact O-N 2.8Å; E281-H283 PolarHBondContact O-ND1 3.41Å
282E89.5Confident94.1Very high22 Ų2228.5 Ų28.510%0.10315%0.147CC..SBendtrans5724.2176.8-58.9-178.9173.900114.4A233 S234 T235 A236 I278 L279 Q280A233-E282 WeakPolarHBondContact CB-OE1 3.15Å; S234-E282 WeakPolarHBondContact CA-OE1 3.07Å; S234-E282 PolarHBondContact N-OE1 2.78Å; S234-E282 PolarHBondContact OG-OE1 2.84Å; T235-E282 PolarHBondContact N-OE1 2.85Å; T235-E282 VanDerWaalsContact OG1-CD 3.29Å; T235-E282 PolarHBondContact OG1-OE2 2.77Å; A236-E282 WeakPolarHBondContact CB-OE2 3.18Å; A236-E282 PolarHBondContact N-OE2 3.07Å; I278-E282 HydrophobicContact CD1-CB 3.79Å; I278-E282 HydrophobicContact CD1-CG 3.76Å; I278-E282 HydrophobicContact CG1-CB 4.24Å; I278-E282 HydrophobicContact CG1-CG 4.04Å; L279-E282 WeakPolarHBondContact O-CA 3.35Å; L279-E282 PolarHBondContact O-N 2.97Å; Q280-E282 VanDerWaalsContact C-N 3.28Å; Q280-E282 PolarHBondContact O-N 2.9Å
283H92.4Very high94Very high73 Ų7331.8 Ų31.834%0.33816%0.16SC..SBendtrans-96-19.5173-62.9-10.4000112.2E281 L299 R300E281-H283 PolarHBondContact O-CE1 2.83Å; E281-H283 PolarHBondContact O-N 2.8Å; E281-H283 PolarHBondContact O-ND1 3.41Å; H283-L299 WeakPolarHBondContact O-CB 3.44Å; H283-L299 PolarHBondContact O-N 3.43Å; H283-R300 PolarHBondContact CE1-NH2 3.28Å; H283-R300 PolarHBondContact NE2-NH2 3.05Å
284C95.2Very high94Very high28 Ų2831.8 Ų31.819%0.18916%0.16CC..EExtended strand (participates in β ladder)trans-129.8146.1-176.2-64.70000111.3L279 L296 W297L279-C284 HydrophobicContact CB-CB 4.4Å; L279-C284 HydrophobicContact CD1-CB 3.77Å; L279-C284 HydrophobicContact CG-CB 4.07Å; L279-C284 PolarHBondContact N-O 3.34Å; L279-C284 VanDerWaalsContact N-O 3.07Å; C284-L296 HydrophobicContact CB-CD1 3.88Å; C284-W297 CarbonylContact C-O 3.52Å; C284-W297 WeakPolarHBondContact CA-O 3.41Å
285L96.3Very high94.1Very high0 Ų032.2 Ų32.20%016%0.161CC..EExtended strand (participates in β ladder)trans-127.6125.7177.9-170.975.1000109.5F240 I248 L267 V276 I278 W297 L299F240-L285 HydrophobicContact CB-CD1 4.37Å; F240-L285 HydrophobicContact CD1-CD1 4.05Å; F240-L285 HydrophobicContact CD1-CD2 3.79Å; F240-L285 HydrophobicContact CD2-CD1 4.49Å; F240-L285 HydrophobicContact CE1-CD2 4.31Å; F240-L285 HydrophobicContact CG-CD1 4.04Å; F240-L285 HydrophobicContact CG-CD2 4.45Å; I248-L285 HydrophobicContact CG2-CD2 3.7Å; L267-L285 HydrophobicContact CD1-CD2 3.99Å; V276-L285 HydrophobicContact CG1-CD1 3.47Å; V276-L285 VanDerWaalsContact CG1-CD1 3.47Å; V276-L285 HydrophobicContact CG1-CD2 3.96Å; V276-L285 HydrophobicContact CG1-CG 3.9Å; I278-L285 HydrophobicContact CB-CD1 3.84Å; I278-L285 HydrophobicContact CG1-CD1 4.35Å; L285-W297 HydrophobicContact CB-CB 4.46Å; L285-W297 PolarHBondContact N-O 2.99Å; L285-W297 PolarHBondContact O-N 3.21Å; L285-L299 HydrophobicContact CB-CD1 4.23Å; L285-L299 HydrophobicContact CB-CD2 3.77Å; L285-L299 HydrophobicContact CB-CG 4.05Å; L285-L299 HydrophobicContact CD2-CD2 4.26Å
286M97.2Very high94.2Very high0 Ų031.4 Ų31.40%016%0.155CC..EExtended strand (participates in β ladder)trans-92.1139.7167.9-67.8-16360.900110.2V276 Q277 L279 I294 K295 L296 Y308 L320 V322 V329 L343V276-M286 CarbonylContact C-O 3.54Å; V276-M286 WeakPolarHBondContact CA-O 3.04Å; Q277-M286 HydrophobicContact CB-CB 4.41Å; Q277-M286 PolarHBondContact N-O 2.95Å; Q277-M286 PolarHBondContact O-N 3.15Å; L279-M286 HydrophobicContact CD2-CG 4.42Å; M286-I294 HydrophobicContact CE-CG2 3.84Å; M286-K295 WeakPolarHBondContact CA-O 3.25Å; M286-L296 HydrophobicContact CG-CB 4.38Å; M286-L296 HydrophobicContact CG-CD1 3.3Å; M286-L296 HydrophobicContact CG-CG 4.43Å; M286-L296 HydrophobicContact SD-CD1 4.11Å; M286-Y308 HydrophobicContact CE-CD2 4Å; M286-Y308 HydrophobicContact CE-CE2 3.42Å; M286-Y308 VanDerWaalsContact CE-CE2 3.42Å; M286-L320 HydrophobicContact CB-CD1 4.35Å; M286-V322 HydrophobicContact CB-CG2 4.49Å; M286-V322 HydrophobicContact CE-CG2 4.26Å; M286-V322 HydrophobicContact CG-CG2 4.4Å; M286-V322 HydrophobicContact SD-CG1 4.35Å; M286-V322 HydrophobicContact SD-CG2 3.43Å; M286-V322 WeakPolarHBondContact SD-CG2 3.33Å; M286-V329 HydrophobicContact CE-CB 4.33Å; M286-V329 HydrophobicContact CE-CG1 3.66Å; M286-V329 HydrophobicContact CE-CG2 3.73Å; M286-V329 HydrophobicContact SD-CG2 3.86Å; M286-L343 HydrophobicContact SD-CD1 3.48Å; M286-L343 WeakPolarHBondContact SD-CD1 3.2Å
287A97.6Very high94.3Very high0 Ų032.1 Ų32.10%016%0.157CC..EExtended strand (participates in β ladder)trans-144.7147.3174.200000111.2I248 H269 V273 S275 V276 I294 K295I248-A287 HydrophobicContact CD1-CB 3.35Å; H269-A287 PolarHBondContact CE1-O 3.35Å; V273-A287 HydrophobicContact CG1-CB 4.29Å; S275-A287 VanDerWaalsContact O-CA 3.26Å; S275-A287 WeakPolarHBondContact O-CA 3.49Å; V276-A287 HydrophobicContact CG2-CB 4.42Å; A287-I294 CarbonylContact O-C 3.49Å; A287-I294 WeakPolarHBondContact O-CA 3.32Å; A287-K295 PolarHBondContact N-O 3.4Å; A287-K295 PolarHBondContact O-N 2.98Å
288S96.9Very high94.3Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-117.8152173.658.80000110.9V273 T274 S275 K293 L318V273-S288 CarbonylContact C-O 3.58Å; V273-S288 WeakPolarHBondContact CA-O 3.33Å; T274-S288 PolarHBondContact N-O 2.71Å; T274-S288 PolarHBondContact OG1-O 3.21Å; T274-S288 PolarHBondContact OG1-OG 3.02Å; S275-S288 WeakPolarHBondContact CB-OG 3.33Å; S275-S288 PolarHBondContact N-OG 3.16Å; S275-S288 PolarHBondContact O-N 3.11Å; S288-K293 WeakPolarHBondContact CA-O 3.12Å; S288-L318 WeakPolarHBondContact CB-O 3.27Å; S288-L318 PolarHBondContact OG-O 2.87Å
289D95.6Very high94.3Very high0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-117.3167.7171.962.943.8000113.9H269 A272 T291 G292 K293H269-D289 HydrophobicContact CB-CB 4.3Å; H269-D289 IonicContact CE1-OD2 2.68Å; H269-D289 IonicContact CG-OD2 3.1Å; H269-D289 IonicContact ND1-OD2 3.79Å; H269-D289 PolarHBondContact ND1-OD2 3.46Å; A272-D289 CarbonylContact O-C 3.56Å; A272-D289 WeakPolarHBondContact O-CA 3.23Å; A272-D289 WeakPolarHBondContact O-CB 3.49Å; D289-T291 PolarHBondContact O-N 3.47Å; D289-T291 VanDerWaalsContact O-N 3.13Å; D289-T291 WeakPolarHBondContact OD1-CA 3.28Å; D289-T291 PolarHBondContact OD1-N 3.11Å; D289-T291 PolarHBondContact OD1-OG1 3.24Å; D289-G292 PolarHBondContact O-N 3.45Å; D289-G292 PolarHBondContact OD1-N 2.73Å; D289-K293 PolarHBondContact N-O 3.37Å; D289-K293 PolarHBondContact OD1-N 3.38Å; D289-K293 WeakPolarHBondContact OD2-CB 3.35Å
290M94.5Very high94.3Very high36 Ų3640.9 Ų40.918%0.17719%0.191CC..THydrogen-bonded Turntrans-61.6-17.7-179.8-72-177.476.100113.6A272 T274 G292 N313 S315 A316A272-M290 HydrophobicContact CB-CB 4.31Å; A272-M290 HydrophobicContact CB-CG 3.72Å; A272-M290 HydrophobicContact CB-SD 3.38Å; A272-M290 WeakPolarHBondContact CB-SD 3.41Å; A272-M290 PolarHBondContact O-N 3.03Å; T274-M290 HydrophobicContact CG2-CB 4.14Å; T274-M290 HydrophobicContact CG2-CG 3.2Å; T274-M290 HydrophobicContact CG2-SD 4.48Å; M290-G292 VanDerWaalsContact C-N 3.33Å; M290-N313 WeakPolarHBondContact O-CB 3.36Å; M290-S315 VanDerWaalsContact CE-C 3.42Å; M290-S315 WeakPolarHBondContact CE-O 3.44Å; M290-A316 WeakPolarHBondContact CA-O 3.28Å
291T92.5Very high94.6Very high54 Ų5437 Ų3733%0.33118%0.18SC..THydrogen-bonded Turntrans-88.3-1.7178.261.20000113.2D289D289-T291 PolarHBondContact O-N 3.47Å; D289-T291 VanDerWaalsContact O-N 3.13Å; D289-T291 WeakPolarHBondContact OD1-CA 3.28Å; D289-T291 PolarHBondContact OD1-N 3.11Å; D289-T291 PolarHBondContact OD1-OG1 3.24Å
292G92.4Very high94.9Very high4 Ų434.1 Ų34.14%0.04117%0.172CC..SBendtrans94.11.9178.400000114.1D289 M290D289-G292 PolarHBondContact O-N 3.45Å; D289-G292 PolarHBondContact OD1-N 2.73Å; M290-G292 VanDerWaalsContact C-N 3.33Å
293K94.6Very high95.2Very high74 Ų7439.9 Ų39.932%0.32220%0.197SC..  trans-80.6134.9177.2-52.9-176.5-174-178.70110D270 S288 D289D270-K293 IonicContact OD2-NZ 2.96Å; D270-K293 PolarHBondContact OD2-NZ 3.04Å; S288-K293 WeakPolarHBondContact CA-O 3.12Å; D289-K293 PolarHBondContact N-O 3.37Å; D289-K293 PolarHBondContact OD1-N 3.38Å; D289-K293 WeakPolarHBondContact OD2-CB 3.35Å
294I97.3Very high95.3Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-119.1127.6175.2-55.1168.8000107.5M286 A287 Q307 Y308 L318 L320 A331 W341M286-I294 HydrophobicContact CE-CG2 3.84Å; A287-I294 CarbonylContact O-C 3.49Å; A287-I294 WeakPolarHBondContact O-CA 3.32Å; I294-Q307 CarbonylContact O-C 3.5Å; I294-Q307 WeakPolarHBondContact O-CA 3.41Å; I294-Y308 HydrophobicContact CB-CD2 4.18Å; I294-Y308 HydrophobicContact CG2-CD2 3.73Å; I294-Y308 HydrophobicContact CG2-CE2 4.46Å; I294-Y308 HydrophobicContact CG2-CG 4.3Å; I294-Y308 PolarHBondContact O-N 2.89Å; I294-L318 HydrophobicContact CD1-CD2 3.82Å; I294-L318 HydrophobicContact CG1-CD2 3.56Å; I294-L320 HydrophobicContact CD1-CD2 3.68Å; I294-L320 HydrophobicContact CG1-CD2 3.92Å; I294-L320 HydrophobicContact CG2-CD1 4.12Å; I294-L320 HydrophobicContact CG2-CD2 3.86Å; I294-A331 HydrophobicContact CD1-CB 3.78Å; I294-W341 HydrophobicContact CD1-CH2 3.76Å; I294-W341 HydrophobicContact CD1-CZ2 4.42Å; I294-W341 HydrophobicContact CD1-CZ3 4.02Å
295K97.4Very high95.4Very high19 Ų1941.4 Ų41.48%0.08321%0.209CC..EExtended strand (participates in β ladder)trans-125.8144.3-180-65.9178.8-177.5173.10110.8D270 M286 A287 W297 R306 Q307D270-K295 IonicContact OD2-NZ 2.71Å; M286-K295 WeakPolarHBondContact CA-O 3.25Å; A287-K295 PolarHBondContact N-O 3.4Å; A287-K295 PolarHBondContact O-N 2.98Å; K295-W297 HydrophobicContact CB-CZ2 4.45Å; K295-W297 HydrophobicContact CD-CZ2 3.79Å; K295-R306 CarbonylContact C-O 3.52Å; K295-R306 WeakPolarHBondContact CA-O 3.28Å; K295-Q307 HydrophobicContact CG-CG 4.41Å
296L97.4Very high95.3Very high5 Ų545.6 Ų45.63%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-104.5125.1167.6-179.471000107.9L279 C284 M286 I305 R306 Y308L279-L296 HydrophobicContact CD1-CD1 4.02Å; C284-L296 HydrophobicContact CB-CD1 3.88Å; M286-L296 HydrophobicContact CG-CB 4.38Å; M286-L296 HydrophobicContact CG-CD1 3.3Å; M286-L296 HydrophobicContact CG-CG 4.43Å; M286-L296 HydrophobicContact SD-CD1 4.11Å; L296-I305 HydrophobicContact CB-CG1 4.1Å; L296-I305 HydrophobicContact CD2-CD1 3.51Å; L296-I305 HydrophobicContact CD2-CG1 3.81Å; L296-I305 HydrophobicContact CG-CD1 3.72Å; L296-I305 HydrophobicContact CG-CG1 3.71Å; L296-I305 WeakPolarHBondContact O-CG1 3.19Å; L296-I305 PolarHBondContact O-N 3.45Å; L296-R306 HydrophobicContact CB-CB 4.07Å; L296-R306 HydrophobicContact CD2-CB 4.47Å; L296-R306 HydrophobicContact CD2-CG 4.37Å; L296-R306 PolarHBondContact N-O 3.38Å; L296-R306 PolarHBondContact O-N 2.95Å; L296-Y308 HydrophobicContact CB-CE2 4.11Å
297W97.3Very high95.3Very high24 Ų2449 Ų499%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-110.7134.8-177.6-63.289.7000110.1L267 F268 H269 C284 L285 K295 K303 C304L267-W297 HydrophobicContact CB-CD2 4.36Å; L267-W297 HydrophobicContact CB-CE3 4.35Å; L267-W297 HydrophobicContact CD1-CB 3.79Å; L267-W297 HydrophobicContact CD1-CD2 4.05Å; L267-W297 HydrophobicContact CD1-CE3 4.38Å; L267-W297 HydrophobicContact CD1-CG 3.78Å; L267-W297 HydrophobicContact CD2-CD2 4.45Å; L267-W297 HydrophobicContact CD2-CE3 3.96Å; L267-W297 HydrophobicContact CD2-CZ3 4.48Å; L267-W297 HydrophobicContact CG-CE3 4.47Å; F268-W297 WeakPolarHBondContact O-CH2 3.44Å; F268-W297 VanDerWaalsContact O-CZ2 3.25Å; F268-W297 WeakPolarHBondContact O-CZ2 3.44Å; H269-W297 AromaticContact CD2-CZ2 3.97Å; H269-W297 AromaticContact CD2-NE1 3.71Å; H269-W297 AromaticContact NE2-CE2 3.92Å; H269-W297 AromaticContact NE2-NE1 3.16Å; H269-W297 PolarHBondContact NE2-NE1 3.43Å; H269-W297 VanDerWaalsContact NE2-NE1 3.16Å; C284-W297 CarbonylContact C-O 3.52Å; C284-W297 WeakPolarHBondContact CA-O 3.41Å; L285-W297 HydrophobicContact CB-CB 4.46Å; L285-W297 PolarHBondContact N-O 2.99Å; L285-W297 PolarHBondContact O-N 3.21Å; K295-W297 HydrophobicContact CB-CZ2 4.45Å; K295-W297 HydrophobicContact CD-CZ2 3.79Å; W297-K303 WeakPolarHBondContact CA-O 3.45Å; W297-K303 VanDerWaalsContact CE3-C 3.47Å; W297-C304 HydrophobicContact CD2-CB 4.32Å; W297-C304 HydrophobicContact CE3-CB 4Å; W297-C304 VanDerWaalsContact CE3-N 3.26Å; W297-C304 HydrophobicContact CH2-CB 4.06Å; W297-C304 HydrophobicContact CZ2-CB 4.37Å; W297-C304 HydrophobicContact CZ3-CB 3.86Å
298D95.7Very high95.2Very high45 Ų4549.1 Ų49.124%0.24124%0.241CC..EExtended strand (participates in β ladder)trans-81.5118.4162.2-179.4-31.2000108R300 A301 T302 K303 I305D298-R300 VanDerWaalsContact C-N 3.35Å; D298-R300 WeakPolarHBondContact OD1-CA 3.32Å; D298-R300 WeakPolarHBondContact OD1-CB 3.45Å; D298-R300 PolarHBondContact OD1-N 3.21Å; D298-A301 HydrophobicContact CB-CB 4.08Å; D298-A301 PolarHBondContact OD1-N 3.01Å; D298-T302 WeakPolarHBondContact O-CA 3.35Å; D298-T302 PolarHBondContact O-N 2.84Å; D298-K303 PolarHBondContact N-O 2.97Å; D298-K303 PolarHBondContact O-N 3.5Å; D298-I305 HydrophobicContact CB-CG2 3.74Å
299L94.1Very high94.9Very high21 Ų2155.3 Ų55.311%0.1127%0.27CS..THydrogen-bonded Turntrans-72.7-26.5-176.8-68.9174.6000112.9F240 T265 L267 I278 H283 L285F240-L299 HydrophobicContact CE1-CD1 4.04Å; F240-L299 HydrophobicContact CE1-CD2 3.79Å; F240-L299 HydrophobicContact CZ-CD1 3.8Å; F240-L299 HydrophobicContact CZ-CD2 4.38Å; T265-L299 HydrophobicContact CG2-CD2 4.29Å; L267-L299 HydrophobicContact CD1-CD2 4.09Å; I278-L299 HydrophobicContact CD1-CD1 4.1Å; H283-L299 WeakPolarHBondContact O-CB 3.44Å; H283-L299 PolarHBondContact O-N 3.43Å; L285-L299 HydrophobicContact CB-CD1 4.23Å; L285-L299 HydrophobicContact CB-CD2 3.77Å; L285-L299 HydrophobicContact CB-CG 4.05Å; L285-L299 HydrophobicContact CD2-CD2 4.26Å
300R91.9Very high94.6Very high188 Ų18856 Ų5671%0.70928%0.277SS*.THydrogen-bonded Turntrans-78.9-46177.2-63.6179.9177.1-179.4-0.4110.7H283 D298 T302H283-R300 PolarHBondContact CE1-NH2 3.28Å; H283-R300 PolarHBondContact NE2-NH2 3.05Å; D298-R300 VanDerWaalsContact C-N 3.35Å; D298-R300 WeakPolarHBondContact OD1-CA 3.32Å; D298-R300 WeakPolarHBondContact OD1-CB 3.45Å; D298-R300 PolarHBondContact OD1-N 3.21Å; R300-T302 VanDerWaalsContact C-N 3.3Å
301A93.6Very high94.4Very high45 Ų4555 Ų5537%0.37227%0.272SS..THydrogen-bonded Turntrans-79.6-15.817900000112.6D298 K303D298-A301 HydrophobicContact CB-CB 4.08Å; D298-A301 PolarHBondContact OD1-N 3.01Å; A301-K303 HydrophobicContact CB-CB 4.32Å; A301-K303 WeakPolarHBondContact O-CG 3.43Å; A301-K303 PolarHBondContact O-N 3.29Å
302T93.7Very high94.4Very high79 Ų7952.9 Ų52.949%0.48526%0.258SS..THydrogen-bonded Turntrans53.337.5-172.860.40000112.7L267 D298 R300L267-T302 HydrophobicContact CD2-CG2 4.4Å; D298-T302 WeakPolarHBondContact O-CA 3.35Å; D298-T302 PolarHBondContact O-N 2.84Å; R300-T302 VanDerWaalsContact C-N 3.3Å
303K94.8Very high94.2Very high143 Ų14353.2 Ų53.262%0.62226%0.26SS*.EExtended strand (participates in β ladder)trans-125.5143.3-174.7-76.5175.9-176.6-177.40110.9W297 D298 A301 I305W297-K303 WeakPolarHBondContact CA-O 3.45Å; W297-K303 VanDerWaalsContact CE3-C 3.47Å; D298-K303 PolarHBondContact N-O 2.97Å; D298-K303 PolarHBondContact O-N 3.5Å; A301-K303 HydrophobicContact CB-CB 4.32Å; A301-K303 WeakPolarHBondContact O-CG 3.43Å; A301-K303 PolarHBondContact O-N 3.29Å; K303-I305 PolarHBondContact O-N 3.33Å
304C96.1Very high93.8Very high54 Ų5454.8 Ų54.837%0.36527%0.268SS..EExtended strand (participates in β ladder)trans-67.6121168-178.30000107.8W297 R306W297-C304 HydrophobicContact CD2-CB 4.32Å; W297-C304 HydrophobicContact CE3-CB 4Å; W297-C304 VanDerWaalsContact CE3-N 3.26Å; W297-C304 HydrophobicContact CH2-CB 4.06Å; W297-C304 HydrophobicContact CZ2-CB 4.37Å; W297-C304 HydrophobicContact CZ3-CB 3.86Å; C304-R306 PolarHBondContact SG-O 2.77Å; C304-R306 VanDerWaalsContact SG-O 3.32Å
305I96Very high93.3Very high79 Ų7958.6 Ų58.641%0.40530%0.295SS..EExtended strand (participates in β ladder)trans-100.4-26.5178.455.7168.4000111.9L296 D298 K303L296-I305 HydrophobicContact CB-CG1 4.1Å; L296-I305 HydrophobicContact CD2-CD1 3.51Å; L296-I305 HydrophobicContact CD2-CG1 3.81Å; L296-I305 HydrophobicContact CG-CD1 3.72Å; L296-I305 HydrophobicContact CG-CG1 3.71Å; L296-I305 WeakPolarHBondContact O-CG1 3.19Å; L296-I305 PolarHBondContact O-N 3.45Å; D298-I305 HydrophobicContact CB-CG2 3.74Å; K303-I305 PolarHBondContact O-N 3.33Å
306R95.6Very high92.9Very high88 Ų8858.3 Ų58.333%0.33230%0.296SS..EExtended strand (participates in β ladder)trans-149.6154.1176.5-60.3-171.3179.8130.97.9112.5K295 L296 C304 Y308 L343 H344K295-R306 CarbonylContact C-O 3.52Å; K295-R306 WeakPolarHBondContact CA-O 3.28Å; L296-R306 HydrophobicContact CB-CB 4.07Å; L296-R306 HydrophobicContact CD2-CB 4.47Å; L296-R306 HydrophobicContact CD2-CG 4.37Å; L296-R306 PolarHBondContact N-O 3.38Å; L296-R306 PolarHBondContact O-N 2.95Å; C304-R306 PolarHBondContact SG-O 2.77Å; C304-R306 VanDerWaalsContact SG-O 3.32Å; R306-Y308 HydrophobicContact CB-CE2 4.4Å; R306-L343 PolarHBondContact NH1-O 3.3Å; R306-H344 PolarHBondContact NE-O 2.8Å; R306-H344 PolarHBondContact NH1-O 2.85Å; R306-H344 PolarHBondContact NH2-O 3.5Å
307Q96Very high92.5Very high72 Ų7262.6 Ų62.634%0.33631%0.312SS..EExtended strand (participates in β ladder)trans-128.3134.9172.3-175.6166-46.300109I294 K295 E309 A346I294-Q307 CarbonylContact O-C 3.5Å; I294-Q307 WeakPolarHBondContact O-CA 3.41Å; K295-Q307 HydrophobicContact CG-CG 4.41Å; Q307-E309 HydrophobicContact CG-CG 3.96Å; Q307-E309 PolarHBondContact NE2-OE1 3.25Å; Q307-A346 WeakPolarHBondContact O-CB 3.3Å
308Y95.9Very high92.3Very high1 Ų161.5 Ų61.50%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-108.5119175.7-48.5-107.5000107.7M286 I294 L296 R306 V329 W341 S342 L343 A346M286-Y308 HydrophobicContact CE-CD2 4Å; M286-Y308 HydrophobicContact CE-CE2 3.42Å; M286-Y308 VanDerWaalsContact CE-CE2 3.42Å; I294-Y308 HydrophobicContact CB-CD2 4.18Å; I294-Y308 HydrophobicContact CG2-CD2 3.73Å; I294-Y308 HydrophobicContact CG2-CE2 4.46Å; I294-Y308 HydrophobicContact CG2-CG 4.3Å; I294-Y308 PolarHBondContact O-N 2.89Å; L296-Y308 HydrophobicContact CB-CE2 4.11Å; R306-Y308 HydrophobicContact CB-CE2 4.4Å; Y308-V329 HydrophobicContact CE1-CG2 4.08Å; Y308-W341 HydrophobicContact CD1-CB 3.62Å; Y308-W341 HydrophobicContact CD1-CD2 4.38Å; Y308-W341 AromaticContact CD1-CG 3.82Å; Y308-W341 HydrophobicContact CD1-CG 3.82Å; Y308-W341 HydrophobicContact CE1-CB 4.12Å; Y308-S342 WeakPolarHBondContact CE1-O 3.33Å; Y308-L343 PolarHBondContact OH-O 2.63Å; Y308-L343 VanDerWaalsContact OH-O 3.07Å; Y308-A346 HydrophobicContact CD1-CB 3.51Å; Y308-A346 HydrophobicContact CE1-CB 3.64Å; Y308-A346 HydrophobicContact CG-CB 4Å
309E91Very high92.1Very high131 Ų13161.6 Ų61.661%0.61231%0.311SS*.  trans-110.4165.1-172.3-58.7-171160.800111.3Q307 W341Q307-E309 HydrophobicContact CG-CG 3.96Å; Q307-E309 PolarHBondContact NE2-OE1 3.25Å; E309-W341 PolarHBondContact O-NE1 2.96Å; E309-W341 VanDerWaalsContact O-NE1 3.13Å
310G88.6Confident91.9Very high15 Ų1561.1 Ų61.116%0.15531%0.309CS..  trans123.5-21173.300000114.5L8 R339L8-G310 WeakPolarHBondContact CD1-O 3.46Å; G310-R339 PolarHBondContact O-NH1 3.35Å; G310-R339 PolarHBondContact O-NH2 3.1Å
311H91.2Very high91.9Very high15 Ų1554.3 Ų54.37%0.06929%0.285CS..  trans-76.3138.8174-83.8-58.9000112.3L318 A331 D335 Y337 R339 W341H311-L318 HydrophobicContact CB-CD1 4.45Å; H311-A331 PolarHBondContact NE2-O 3.49Å; H311-D335 WeakPolarHBondContact CA-OD2 3.49Å; H311-D335 IonicContact CE1-OD1 3.11Å; H311-D335 IonicContact CG-OD2 3.47Å; H311-D335 IonicContact ND1-OD1 3.16Å; H311-D335 PolarHBondContact ND1-OD1 3.24Å; H311-D335 IonicContact ND1-OD2 2.63Å; H311-D335 PolarHBondContact ND1-OD2 2.87Å; H311-D335 VanDerWaalsContact ND1-OD2 3.1Å; H311-Y337 PolarHBondContact CE1-O 2.79Å; H311-R339 PolarHBondContact ND1-NH1 3.47Å; H311-R339 VanDerWaalsContact ND1-NH1 3.14Å; H311-W341 AromaticContact CD2-CH2 3.44Å; H311-W341 VanDerWaalsContact CD2-CH2 3.44Å; H311-W341 WeakPolarHBondContact CD2-CH2 3Å; H311-W341 AromaticContact CD2-CZ2 3.96Å; H311-W341 AromaticContact NE2-CH2 3.34Å; H311-W341 VanDerWaalsContact NE2-CH2 3.34Å; H311-W341 WeakPolarHBondContact NE2-CH2 3.4Å
312V90.8Very high91.7Very high8 Ų853 Ų535%0.04827%0.272CS..  trans-117.8102173.8-169.40000108.3M1 E4 R5 L8 D335M1-V312 HydrophobicContact CB-CG1 4.35Å; M1-V312 HydrophobicContact CG-CG1 3.65Å; E4-V312 HydrophobicContact CG-CG2 4.3Å; R5-V312 HydrophobicContact CB-CB 4.48Å; R5-V312 HydrophobicContact CB-CG2 4.24Å; L8-V312 HydrophobicContact CD1-CG2 3.52Å; V312-D335 PolarHBondContact N-OD2 2.92Å
313N90.1Very high91.4Very high12 Ų1250.7 Ų50.76%0.06426%0.256CS..  trans-122.4147.2175.9-71.47.9000110.1M290 G333 Q334M290-N313 WeakPolarHBondContact O-CB 3.36Å; N313-G333 WeakPolarHBondContact OD1-CA 3.38Å; N313-Q334 HydrophobicContact CB-CB 4.33Å; N313-Q334 PolarHBondContact OD1-N 2.89Å
314E86.3Confident91Very high106 Ų10646.8 Ų46.850%0.49524%0.24SC..SBendtrans-97-55.1170.8-60.9-172.3173.400110M1M1-E314 HydrophobicContact CB-CG 4.15Å; M1-E314 WeakPolarHBondContact CB-OE1 3.27Å; M1-E314 HydrophobicContact CE-CG 4.27Å; M1-E314 WeakPolarHBondContact CE-OE1 3.48Å; M1-E314 HydrophobicContact CG-CG 4.05Å
315S85.9Confident90.4Very high81 Ų8152.4 Ų52.457%0.56626%0.261SS*.SBendtrans-155.842.4-175.263.60000113.2M290M290-S315 VanDerWaalsContact CE-C 3.42Å; M290-S315 WeakPolarHBondContact CE-O 3.44Å
316A88.6Confident89.7Confident12 Ų1250.5 Ų50.510%0.09925%0.25CS..  trans-110.2154.5178.700000112.6M290 Q334 I363M290-A316 WeakPolarHBondContact CA-O 3.28Å; A316-Q334 HydrophobicContact CB-CB 3.75Å; A316-Q334 HydrophobicContact CB-CG 4.18Å; A316-I363 HydrophobicContact CB-CD1 3.67Å
317Y89.7Confident89.4Confident96 Ų9646.4 Ų46.438%0.37624%0.235SC..  trans-63140.2168.5-84.4-102.1000110.6L228 T274 P319L228-Y317 HydrophobicContact CB-CE1 4.22Å; T274-Y317 HydrophobicContact CG2-CD1 4.1Å; T274-Y317 HydrophobicContact CG2-CG 4.27Å; Y317-P319 WeakPolarHBondContact O-CD 3.49Å
318L92.8Very high89.1Confident0 Ų043 Ų430%022%0.219CC..  trans-12082.1175.4-16778.1000109.8T274 S288 I294 H311 L320 A331 V332T274-L318 PolarHBondContact OG1-N 2.82Å; T274-L318 VanDerWaalsContact OG1-N 3.14Å; T274-L318 PolarHBondContact OG1-O 3.14Å; S288-L318 WeakPolarHBondContact CB-O 3.27Å; S288-L318 PolarHBondContact OG-O 2.87Å; I294-L318 HydrophobicContact CD1-CD2 3.82Å; I294-L318 HydrophobicContact CG1-CD2 3.56Å; H311-L318 HydrophobicContact CB-CD1 4.45Å; L318-L320 PolarHBondContact O-N 2.98Å; L318-A331 HydrophobicContact CD1-CB 4.48Å; L318-A331 HydrophobicContact CG-CB 4.35Å; L318-V332 WeakPolarHBondContact CD1-O 3.22Å
319P90.4Very high89Confident48 Ų4843 Ų4331%0.31222%0.219SC..  trans-61.3136.2178.325.5-33.3000111.1Y317 V332Y317-P319 WeakPolarHBondContact O-CD 3.49Å; P319-V332 HydrophobicContact CG-CG1 4.43Å
320L91.9Very high89.1Confident10 Ų1036.8 Ų36.85%0.05219%0.19CC..EExtended strand (participates in β ladder)trans-106137.6177.1-66.4179000110.8S275 M286 I294 L318 A331S275-L320 PolarHBondContact OG-N 2.97Å; M286-L320 HydrophobicContact CB-CD1 4.35Å; I294-L320 HydrophobicContact CD1-CD2 3.68Å; I294-L320 HydrophobicContact CG1-CD2 3.92Å; I294-L320 HydrophobicContact CG2-CD1 4.12Å; I294-L320 HydrophobicContact CG2-CD2 3.86Å; L318-L320 PolarHBondContact O-N 2.98Å; L320-A331 HydrophobicContact CD2-CB 3.86Å
321H90.4Very high89.4Confident46 Ų4636.1 Ų36.121%0.21318%0.183CC..EExtended strand (participates in β ladder)trans-127111.4168.4-59.2-83.5000109.6V329 V330 V366 F368H321-V329 CarbonylContact O-C 3.47Å; H321-V330 HydrophobicContact CB-CB 4.37Å; H321-V330 PolarHBondContact N-O 2.74Å; H321-V330 PolarHBondContact O-N 3.35Å; H321-V366 PolarHBondContact CE1-O 3.28Å; H321-V366 PolarHBondContact NE2-O 3.11Å; H321-F368 HydrophobicContact CB-CB 4.47Å
322V89.7Confident89.4Confident18 Ų1835.4 Ų35.411%0.10918%0.18CC..EExtended strand (participates in β ladder)trans-102.7131.9174.8-175.20000109.8Q277 L279 M286 E324 V329 L343Q277-V322 HydrophobicContact CB-CG2 4.36Å; Q277-V322 VanDerWaalsContact CD-CB 3.48Å; Q277-V322 HydrophobicContact CG-CB 4.38Å; Q277-V322 HydrophobicContact CG-CG2 4.25Å; Q277-V322 PolarHBondContact NE2-O 3.15Å; L279-V322 HydrophobicContact CD2-CG1 3.91Å; M286-V322 HydrophobicContact CB-CG2 4.49Å; M286-V322 HydrophobicContact CE-CG2 4.26Å; M286-V322 HydrophobicContact CG-CG2 4.4Å; M286-V322 HydrophobicContact SD-CG1 4.35Å; M286-V322 HydrophobicContact SD-CG2 3.43Å; M286-V322 WeakPolarHBondContact SD-CG2 3.33Å; V322-E324 HydrophobicContact CG1-CG 3.98Å; V322-V329 HydrophobicContact CG1-CG2 4.47Å; V322-V329 HydrophobicContact CG2-CG1 4.34Å; V322-V329 HydrophobicContact CG2-CG2 4.29Å; V322-L343 HydrophobicContact CG1-CD1 3.96Å; V322-L343 HydrophobicContact CG1-CD2 4.12Å
323H87.8Confident89.4Confident30 Ų3035 Ų3514%0.13918%0.177CC..EExtended strand (participates in β ladder)trans-117.999.3169.1-166-80.6000109.2E326 G327 I328 F368H323-E326 HydrophobicContact CB-CB 4.43Å; H323-E326 WeakPolarHBondContact CE1-CG 3.28Å; H323-E326 WeakPolarHBondContact ND1-CB 3.2Å; H323-E326 WeakPolarHBondContact ND1-CG 3.09Å; H323-E326 PolarHBondContact ND1-N 2.83Å; H323-E326 PolarHBondContact O-N 3.36Å; H323-G327 PolarHBondContact O-N 2.78Å; H323-I328 HydrophobicContact CB-CD1 4.35Å; H323-I328 HydrophobicContact CB-CG1 3.83Å; H323-I328 PolarHBondContact N-O 2.91Å; H323-I328 PolarHBondContact O-N 2.83Å; H323-I328 VanDerWaalsContact O-N 3.14Å; H323-F368 HydrophobicContact CB-CD1 4.1Å; H323-F368 HydrophobicContact CB-CE1 3.96Å; H323-F368 HydrophobicContact CB-CZ 4.33Å; H323-F368 AromaticContact CD2-CD1 3.39Å; H323-F368 WeakPolarHBondContact CD2-CD1 3.47Å; H323-F368 AromaticContact CD2-CE1 3.13Å; H323-F368 WeakPolarHBondContact CD2-CE1 3.25Å; H323-F368 AromaticContact CG-CD1 3.96Å; H323-F368 AromaticContact CG-CE1 3.54Å; H323-F368 AromaticContact NE2-CE1 3.67Å
324E86.7Confident89.4Confident61 Ų6135 Ų3529%0.28518%0.177SC..THydrogen-bonded Turntrans-68.6-41.3-170.3-69.5-178.1-117.300113.4L279 Q280 V322 E326 G327 L343L279-E324 WeakPolarHBondContact CA-OE1 3.39Å; L279-E324 WeakPolarHBondContact CB-OE2 3.46Å; L279-E324 HydrophobicContact CD2-CG 4.03Å; Q280-E324 VanDerWaalsContact N-CD 3.25Å; Q280-E324 PolarHBondContact N-OE1 3.33Å; Q280-E324 PolarHBondContact N-OE2 3.01Å; V322-E324 HydrophobicContact CG1-CG 3.98Å; E324-E326 PolarHBondContact O-N 2.76Å; E324-G327 PolarHBondContact O-N 2.88Å; E324-L343 HydrophobicContact CG-CD2 4.19Å
325E83.1Confident89.5Confident171 Ų17130 Ų3080%0.79915%0.153SC*.THydrogen-bonded Turntrans-61-32.4178.6-62.3-176.3166.500112.2
326E81.2Confident89.7Confident40 Ų4026.2 Ų26.219%0.18713%0.127CC..THydrogen-bonded Turntrans-92.8-8.9177.8-68-73.6-17000111.6N47 R50 H323 E324 I328N47-E326 PolarHBondContact ND2-O 3.22Å; R50-E326 IonicContact CZ-OE1 2.76Å; R50-E326 IonicContact CZ-OE2 3.28Å; R50-E326 VanDerWaalsContact NH1-CD 3.32Å; R50-E326 IonicContact NH1-OE1 3.11Å; R50-E326 PolarHBondContact NH1-OE1 3.21Å; R50-E326 IonicContact NH1-OE2 2.76Å; R50-E326 PolarHBondContact NH1-OE2 2.85Å; R50-E326 IonicContact NH2-OE1 3.63Å; R50-E326 PolarHBondContact NH2-OE1 2.9Å; R50-E326 IonicContact NH2-OE2 3.92Å; H323-E326 HydrophobicContact CB-CB 4.43Å; H323-E326 WeakPolarHBondContact CE1-CG 3.28Å; H323-E326 WeakPolarHBondContact ND1-CB 3.2Å; H323-E326 WeakPolarHBondContact ND1-CG 3.09Å; H323-E326 PolarHBondContact ND1-N 2.83Å; H323-E326 PolarHBondContact O-N 3.36Å; E324-E326 PolarHBondContact O-N 2.76Å; E326-I328 VanDerWaalsContact C-N 3.33Å; E326-I328 HydrophobicContact CB-CD1 4.14Å; E326-I328 HydrophobicContact CB-CG1 3.99Å; E326-I328 PolarHBondContact O-N 2.93Å
327G88.3Confident89.8Confident1 Ų127.5 Ų27.51%0.0113%0.13CC..THydrogen-bonded Turntrans60.140.1-178.900000113.3H323 E324 S342 L343H323-G327 PolarHBondContact O-N 2.78Å; E324-G327 PolarHBondContact O-N 2.88Å; G327-S342 WeakPolarHBondContact O-CA 3.32Å; G327-L343 VanDerWaalsContact C-CB 3.47Å; G327-L343 WeakPolarHBondContact O-CB 3.32Å; G327-L343 PolarHBondContact O-N 3.03Å
328I90.4Very high89.9Confident1 Ų123 Ų231%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-125.4151.3-179.260.4177.4000112.8H323 E326 I340 W341 L349 F368 F395H323-I328 HydrophobicContact CB-CD1 4.35Å; H323-I328 HydrophobicContact CB-CG1 3.83Å; H323-I328 PolarHBondContact N-O 2.91Å; H323-I328 PolarHBondContact O-N 2.83Å; H323-I328 VanDerWaalsContact O-N 3.14Å; E326-I328 VanDerWaalsContact C-N 3.33Å; E326-I328 HydrophobicContact CB-CD1 4.14Å; E326-I328 HydrophobicContact CB-CG1 3.99Å; E326-I328 PolarHBondContact O-N 2.93Å; I328-I340 HydrophobicContact CB-CG2 4.3Å; I328-I340 HydrophobicContact CG2-CG2 4.43Å; I328-W341 VanDerWaalsContact CA-O 3.3Å; I328-W341 WeakPolarHBondContact CA-O 3.49Å; I328-L349 HydrophobicContact CG2-CD1 3.97Å; I328-F368 HydrophobicContact CD1-CD2 4.22Å; I328-F368 HydrophobicContact CD1-CE2 3.38Å; I328-F368 HydrophobicContact CD1-CZ 3.65Å; I328-F395 HydrophobicContact CD1-CE1 4.28Å; I328-F395 HydrophobicContact CD1-CZ 3.61Å
329V93.6Very high89.9Confident0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-125.1134.7175.4-177.20000107.6M286 Y308 H321 V322 I340 W341 L343M286-V329 HydrophobicContact CE-CB 4.33Å; M286-V329 HydrophobicContact CE-CG1 3.66Å; M286-V329 HydrophobicContact CE-CG2 3.73Å; M286-V329 HydrophobicContact SD-CG2 3.86Å; Y308-V329 HydrophobicContact CE1-CG2 4.08Å; H321-V329 CarbonylContact O-C 3.47Å; V322-V329 HydrophobicContact CG1-CG2 4.47Å; V322-V329 HydrophobicContact CG2-CG1 4.34Å; V322-V329 HydrophobicContact CG2-CG2 4.29Å; V329-I340 CarbonylContact O-C 3.56Å; V329-I340 VanDerWaalsContact O-CA 3.28Å; V329-I340 WeakPolarHBondContact O-CA 3.15Å; V329-W341 HydrophobicContact CB-CE3 4.4Å; V329-W341 HydrophobicContact CG1-CE3 4.35Å; V329-W341 PolarHBondContact N-O 3.05Å; V329-W341 PolarHBondContact O-N 3.27Å; V329-L343 HydrophobicContact CG2-CB 4.09Å; V329-L343 HydrophobicContact CG2-CD1 3.65Å; V329-L343 HydrophobicContact CG2-CG 4.49Å
330V93.4Very high90.1Very high2 Ų220.8 Ų20.81%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-126.2134.9177.7-171.70000109.6H321 T338 R339 I340 V366 L382H321-V330 HydrophobicContact CB-CB 4.37Å; H321-V330 PolarHBondContact N-O 2.74Å; H321-V330 PolarHBondContact O-N 3.35Å; V330-T338 HydrophobicContact CG1-CG2 3.52Å; V330-R339 WeakPolarHBondContact CA-O 3.12Å; V330-I340 HydrophobicContact CG1-CG1 4.27Å; V330-I340 HydrophobicContact CG2-CG1 4.06Å; V330-I340 HydrophobicContact CG2-CG2 4.28Å; V330-V366 HydrophobicContact CG1-CG2 4.47Å; V330-L382 HydrophobicContact CG1-CD1 3.88Å
331A94.1Very high90.3Very high0 Ų020.4 Ų20.40%010%0.095CC..EExtended strand (participates in β ladder)trans-145.7157.9173.700000110.5I294 H311 L318 L320 T338 R339 W341I294-A331 HydrophobicContact CD1-CB 3.78Å; H311-A331 PolarHBondContact NE2-O 3.49Å; L318-A331 HydrophobicContact CD1-CB 4.48Å; L318-A331 HydrophobicContact CG-CB 4.35Å; L320-A331 HydrophobicContact CD2-CB 3.86Å; A331-T338 WeakPolarHBondContact O-CA 3.13Å; A331-R339 PolarHBondContact N-O 3.16Å; A331-R339 VanDerWaalsContact N-O 3.12Å; A331-R339 PolarHBondContact O-N 3.01Å; A331-W341 HydrophobicContact CB-CH2 3.99Å; A331-W341 HydrophobicContact CB-CZ3 3.75Å
332V92.4Very high90.4Very high0 Ų018.2 Ų18.20%09%0.085CC..EExtended strand (participates in β ladder)trans-144136.8174.364.20000108.7L318 P319 P364 V366L318-V332 WeakPolarHBondContact CD1-O 3.22Å; P319-V332 HydrophobicContact CG-CG1 4.43Å; V332-P364 WeakPolarHBondContact CG1-O 3.38Å; V332-P364 HydrophobicContact CG2-CB 3.94Å; V332-P364 HydrophobicContact CG2-CG 3.9Å; V332-V366 HydrophobicContact CB-CG1 4.29Å; V332-V366 HydrophobicContact CB-CG2 4.28Å; V332-V366 HydrophobicContact CG1-CB 4.33Å; V332-V366 HydrophobicContact CG1-CG1 3.95Å; V332-V366 HydrophobicContact CG1-CG2 3.57Å
333G89.9Confident90.5Very high0 Ų017.8 Ų17.80%08%0.082CC..  trans-129.9-163-175.700000113.2N313 D335 C336 I363N313-G333 WeakPolarHBondContact OD1-CA 3.38Å; G333-D335 PolarHBondContact O-N 3.39Å; G333-C336 PolarHBondContact O-N 3.19Å; G333-I363 WeakPolarHBondContact O-CG2 3.29Å
334Q90.4Very high90.6Very high12 Ų1219.9 Ų19.96%0.0569%0.092CC..THydrogen-bonded Turntrans-63.2-23.4-179.4-162.5173.7-12.900112.6N313 A316 C336 E360 I363N313-Q334 HydrophobicContact CB-CB 4.33Å; N313-Q334 PolarHBondContact OD1-N 2.89Å; A316-Q334 HydrophobicContact CB-CB 3.75Å; A316-Q334 HydrophobicContact CB-CG 4.18Å; Q334-C336 PolarHBondContact O-N 3.41Å; Q334-E360 HydrophobicContact CG-CG 4.4Å; Q334-E360 PolarHBondContact NE2-OE1 3.34Å; Q334-I363 HydrophobicContact CB-CD1 4.33Å; Q334-I363 HydrophobicContact CG-CD1 4.49Å
335D88.6Confident90.8Very high0 Ų019.6 Ų19.60%09%0.092CC..THydrogen-bonded Turntrans-69.1-9172.162.613.9000114R5 H311 V312 G333 Y337 R339R5-D335 PolarHBondContact NH1-O 3.44Å; R5-D335 PolarHBondContact NH2-O 3.15Å; R5-D335 VanDerWaalsContact NH2-O 3.12Å; H311-D335 WeakPolarHBondContact CA-OD2 3.49Å; H311-D335 IonicContact CE1-OD1 3.11Å; H311-D335 IonicContact CG-OD2 3.47Å; H311-D335 IonicContact ND1-OD1 3.16Å; H311-D335 PolarHBondContact ND1-OD1 3.24Å; H311-D335 IonicContact ND1-OD2 2.63Å; H311-D335 PolarHBondContact ND1-OD2 2.87Å; H311-D335 VanDerWaalsContact ND1-OD2 3.1Å; V312-D335 PolarHBondContact N-OD2 2.92Å; G333-D335 PolarHBondContact O-N 3.39Å; D335-Y337 HydrophobicContact CB-CD2 4.1Å; D335-Y337 WeakPolarHBondContact O-CD2 3.48Å; D335-Y337 WeakPolarHBondContact O-CE2 3.3Å; D335-Y337 PolarHBondContact O-N 3.2Å; D335-Y337 PolarHBondContact OD1-N 2.86Å; D335-Y337 VanDerWaalsContact OD1-N 3.1Å; D335-R339 IonicContact OD1-NH1 3.56Å; D335-R339 IonicContact OD2-CZ 2.71Å; D335-R339 IonicContact OD2-NH1 3.47Å; D335-R339 PolarHBondContact OD2-NH1 3.49Å; D335-R339 IonicContact OD2-NH2 3.48Å
336C89.6Confident91.3Very high2 Ų212.4 Ų12.41%0.0146%0.063CC..  trans57.124.5-177.9-52.10000114.2G333 Q334 S354 A358G333-C336 PolarHBondContact O-N 3.19Å; Q334-C336 PolarHBondContact O-N 3.41Å; C336-S354 VanDerWaalsContact O-CB 3.26Å; C336-S354 WeakPolarHBondContact O-CB 3.44Å; C336-S354 PolarHBondContact O-N 3.18Å; C336-A358 HydrophobicContact CB-CB 3.83Å; C336-A358 VanDerWaalsContact SG-CA 3.58Å
337Y90.6Very high91.8Very high40 Ų4014.1 Ų14.116%0.1577%0.07CC..EExtended strand (participates in β ladder)trans-105.2124.6170.6-70.7-87.2000109.8R5 L9 H311 D335 R339 T351 P353R5-Y337 HydrophobicContact CG-CE2 4.4Å; R5-Y337 VanDerWaalsContact CZ-CE2 3.47Å; R5-Y337 PolarHBondContact NH2-OH 3.12Å; L9-Y337 HydrophobicContact CD1-CE1 4.29Å; L9-Y337 HydrophobicContact CD1-CE2 3.74Å; L9-Y337 VanDerWaalsContact CD1-CZ 3.48Å; L9-Y337 WeakPolarHBondContact CD1-OH 3.49Å; L9-Y337 HydrophobicContact CD2-CD1 4.06Å; L9-Y337 HydrophobicContact CD2-CD2 4.42Å; L9-Y337 HydrophobicContact CD2-CE1 3.6Å; L9-Y337 HydrophobicContact CD2-CE2 3.99Å; L9-Y337 HydrophobicContact CD2-CG 4.47Å; L9-Y337 HydrophobicContact CG-CE2 4.35Å; H311-Y337 PolarHBondContact CE1-O 2.79Å; D335-Y337 HydrophobicContact CB-CD2 4.1Å; D335-Y337 WeakPolarHBondContact O-CD2 3.48Å; D335-Y337 WeakPolarHBondContact O-CE2 3.3Å; D335-Y337 PolarHBondContact O-N 3.2Å; D335-Y337 PolarHBondContact OD1-N 2.86Å; D335-Y337 VanDerWaalsContact OD1-N 3.1Å; Y337-R339 PolarHBondContact O-N 3.22Å; Y337-T351 HydrophobicContact CD1-CG2 3.59Å; Y337-T351 HydrophobicContact CG-CG2 3.99Å; Y337-P353 HydrophobicContact CD1-CB 3.96Å; Y337-P353 HydrophobicContact CE1-CB 3.67Å
338T92.7Very high92Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans-81.7119169-56.60000108.9V330 A331 I352 V366 L382 M384V330-T338 HydrophobicContact CG1-CG2 3.52Å; A331-T338 WeakPolarHBondContact O-CA 3.13Å; T338-I352 PolarHBondContact N-O 3.36Å; T338-I352 PolarHBondContact O-N 3.13Å; T338-V366 HydrophobicContact CG2-CG1 3.98Å; T338-L382 HydrophobicContact CG2-CD2 3.83Å; T338-M384 WeakPolarHBondContact OG1-CE 3.12Å
339R93.6Very high92Very high0 Ų016.7 Ų16.70%08%0.083CC..EExtended strand (participates in β ladder)trans-107.1142.3177.2-74.5-173.6-177.482.1-2.4110.4E12 G310 H311 V330 A331 D335 Y337 W341 L348 R350 T351E12-R339 IonicContact OE1-CZ 3.55Å; E12-R339 IonicContact OE1-NE 3.74Å; E12-R339 PolarHBondContact OE1-NE 3.24Å; E12-R339 IonicContact OE1-NH2 3.85Å; E12-R339 PolarHBondContact OE1-NH2 2.71Å; G310-R339 PolarHBondContact O-NH1 3.35Å; G310-R339 PolarHBondContact O-NH2 3.1Å; H311-R339 PolarHBondContact ND1-NH1 3.47Å; H311-R339 VanDerWaalsContact ND1-NH1 3.14Å; V330-R339 WeakPolarHBondContact CA-O 3.12Å; A331-R339 PolarHBondContact N-O 3.16Å; A331-R339 VanDerWaalsContact N-O 3.12Å; A331-R339 PolarHBondContact O-N 3.01Å; D335-R339 IonicContact OD1-NH1 3.56Å; D335-R339 IonicContact OD2-CZ 2.71Å; D335-R339 IonicContact OD2-NH1 3.47Å; D335-R339 PolarHBondContact OD2-NH1 3.49Å; D335-R339 IonicContact OD2-NH2 3.48Å; Y337-R339 PolarHBondContact O-N 3.22Å; R339-W341 HydrophobicContact CB-CD2 4.32Å; R339-W341 HydrophobicContact CB-CE3 4.21Å; R339-W341 HydrophobicContact CB-CH2 3.26Å; R339-W341 HydrophobicContact CB-CZ2 3.36Å; R339-W341 HydrophobicContact CB-CZ3 3.69Å; R339-W341 HydrophobicContact CG-CH2 4.34Å; R339-W341 HydrophobicContact CG-CZ2 4.14Å; R339-W341 VanDerWaalsContact O-CZ3 3.25Å; R339-W341 WeakPolarHBondContact O-CZ3 3.45Å; R339-L348 HydrophobicContact CB-CD1 3.82Å; R339-L348 HydrophobicContact CG-CD1 3.89Å; R339-R350 WeakPolarHBondContact CA-O 3.43Å; R339-T351 HydrophobicContact CG-CG2 4.03Å
340I93.8Very high91.7Very high2 Ų219.2 Ų19.21%0.019%0.093CC..EExtended strand (participates in β ladder)trans-122.4121.1178.6-54.3176.5000106.8V51 M54 I328 V329 V330 L349 R350 I352 L382V51-I340 HydrophobicContact CG1-CB 4.38Å; V51-I340 HydrophobicContact CG1-CD1 3.65Å; V51-I340 HydrophobicContact CG1-CG2 4.36Å; V51-I340 HydrophobicContact CG2-CG2 4.33Å; M54-I340 HydrophobicContact CE-CD1 4.43Å; M54-I340 HydrophobicContact SD-CD1 4.23Å; I328-I340 HydrophobicContact CB-CG2 4.3Å; I328-I340 HydrophobicContact CG2-CG2 4.43Å; V329-I340 CarbonylContact O-C 3.56Å; V329-I340 VanDerWaalsContact O-CA 3.28Å; V329-I340 WeakPolarHBondContact O-CA 3.15Å; V330-I340 HydrophobicContact CG1-CG1 4.27Å; V330-I340 HydrophobicContact CG2-CG1 4.06Å; V330-I340 HydrophobicContact CG2-CG2 4.28Å; I340-L349 HydrophobicContact CG2-CD1 4.34Å; I340-L349 WeakPolarHBondContact O-CA 3.16Å; I340-L349 WeakPolarHBondContact O-CB 3.47Å; I340-L349 PolarHBondContact O-N 2.9Å; I340-R350 PolarHBondContact N-O 2.81Å; I340-R350 PolarHBondContact O-N 3.28Å; I340-R350 VanDerWaalsContact O-N 3.17Å; I340-I352 HydrophobicContact CD1-CD1 4.09Å; I340-L382 HydrophobicContact CD1-CD2 4.3Å
341W94.9Very high91.6Very high2 Ų219.6 Ų19.61%0.00810%0.095CC..EExtended strand (participates in β ladder)trans-115.4160176.2-56-103.1000111.2I294 Y308 E309 H311 I328 V329 A331 R339 H347 L348I294-W341 HydrophobicContact CD1-CH2 3.76Å; I294-W341 HydrophobicContact CD1-CZ2 4.42Å; I294-W341 HydrophobicContact CD1-CZ3 4.02Å; Y308-W341 HydrophobicContact CD1-CB 3.62Å; Y308-W341 HydrophobicContact CD1-CD2 4.38Å; Y308-W341 AromaticContact CD1-CG 3.82Å; Y308-W341 HydrophobicContact CD1-CG 3.82Å; Y308-W341 HydrophobicContact CE1-CB 4.12Å; E309-W341 PolarHBondContact O-NE1 2.96Å; E309-W341 VanDerWaalsContact O-NE1 3.13Å; H311-W341 AromaticContact CD2-CH2 3.44Å; H311-W341 VanDerWaalsContact CD2-CH2 3.44Å; H311-W341 WeakPolarHBondContact CD2-CH2 3Å; H311-W341 AromaticContact CD2-CZ2 3.96Å; H311-W341 AromaticContact NE2-CH2 3.34Å; H311-W341 VanDerWaalsContact NE2-CH2 3.34Å; H311-W341 WeakPolarHBondContact NE2-CH2 3.4Å; I328-W341 VanDerWaalsContact CA-O 3.3Å; I328-W341 WeakPolarHBondContact CA-O 3.49Å; V329-W341 HydrophobicContact CB-CE3 4.4Å; V329-W341 HydrophobicContact CG1-CE3 4.35Å; V329-W341 PolarHBondContact N-O 3.05Å; V329-W341 PolarHBondContact O-N 3.27Å; A331-W341 HydrophobicContact CB-CH2 3.99Å; A331-W341 HydrophobicContact CB-CZ3 3.75Å; R339-W341 HydrophobicContact CB-CD2 4.32Å; R339-W341 HydrophobicContact CB-CE3 4.21Å; R339-W341 HydrophobicContact CB-CH2 3.26Å; R339-W341 HydrophobicContact CB-CZ2 3.36Å; R339-W341 HydrophobicContact CB-CZ3 3.69Å; R339-W341 HydrophobicContact CG-CH2 4.34Å; R339-W341 HydrophobicContact CG-CZ2 4.14Å; R339-W341 VanDerWaalsContact O-CZ3 3.25Å; R339-W341 WeakPolarHBondContact O-CZ3 3.45Å; W341-H347 CarbonylContact C-O 3.57Å; W341-H347 WeakPolarHBondContact CA-O 3.05Å; W341-H347 WeakPolarHBondContact CB-O 3.38Å; W341-L348 HydrophobicContact CD2-CD1 4.34Å; W341-L348 HydrophobicContact CG-CD1 4.34Å
342S92.9Very high91.4Very high0 Ų019.9 Ų19.90%010%0.097CC..EExtended strand (participates in β ladder)trans-76.8128.8163.8-178.90000110.2Y308 G327 H344 D345 A346 H347Y308-S342 WeakPolarHBondContact CE1-O 3.33Å; G327-S342 WeakPolarHBondContact O-CA 3.32Å; S342-H344 PolarHBondContact O-N 2.77Å; S342-H344 PolarHBondContact OG-N 3.38Å; S342-D345 VanDerWaalsContact CB-OD1 3.28Å; S342-D345 WeakPolarHBondContact CB-OD1 3.26Å; S342-A346 WeakPolarHBondContact O-CA 3.33Å; S342-A346 PolarHBondContact O-N 2.79Å; S342-H347 PolarHBondContact N-O 3.29Å
343L92.6Very high91.3Very high9 Ų923.2 Ų23.25%0.04712%0.119CC..THydrogen-bonded Turntrans-58.8-29174.2-177.264.8000112.2L279 M286 R306 Y308 V322 E324 G327 V329L279-L343 HydrophobicContact CD1-CD1 4.45Å; M286-L343 HydrophobicContact SD-CD1 3.48Å; M286-L343 WeakPolarHBondContact SD-CD1 3.2Å; R306-L343 PolarHBondContact NH1-O 3.3Å; Y308-L343 PolarHBondContact OH-O 2.63Å; Y308-L343 VanDerWaalsContact OH-O 3.07Å; V322-L343 HydrophobicContact CG1-CD1 3.96Å; V322-L343 HydrophobicContact CG1-CD2 4.12Å; E324-L343 HydrophobicContact CG-CD2 4.19Å; G327-L343 VanDerWaalsContact C-CB 3.47Å; G327-L343 WeakPolarHBondContact O-CB 3.32Å; G327-L343 PolarHBondContact O-N 3.03Å; V329-L343 HydrophobicContact CG2-CB 4.09Å; V329-L343 HydrophobicContact CG2-CD1 3.65Å; V329-L343 HydrophobicContact CG2-CG 4.49Å
344H90.6Very high91.2Very high75 Ų7524 Ų2435%0.34712%0.124SC..THydrogen-bonded Turntrans-88.6-18-169.4-61.2-58.9000115.5T40 R306 S342T40-H344 HydrophobicContact CG2-CB 4.08Å; R306-H344 PolarHBondContact NE-O 2.8Å; R306-H344 PolarHBondContact NH1-O 2.85Å; R306-H344 PolarHBondContact NH2-O 3.5Å; S342-H344 PolarHBondContact O-N 2.77Å; S342-H344 PolarHBondContact OG-N 3.38Å
345D89.9Confident90.9Very high54 Ų5425.3 Ų25.329%0.28913%0.133SC..THydrogen-bonded Turntrans-145.66.8179.668.8-5.8000113.6R44 S342 H347R44-D345 VanDerWaalsContact CD-OD2 3.24Å; R44-D345 WeakPolarHBondContact CD-OD2 3.33Å; R44-D345 IonicContact CZ-OD2 3.32Å; R44-D345 IonicContact NE-OD2 3.56Å; R44-D345 IonicContact NH1-OD2 3.12Å; R44-D345 PolarHBondContact NH1-OD2 2.94Å; S342-D345 VanDerWaalsContact CB-OD1 3.28Å; S342-D345 WeakPolarHBondContact CB-OD1 3.26Å; D345-H347 PolarHBondContact O-N 2.82Å; D345-H347 VanDerWaalsContact O-N 3.15Å; D345-H347 WeakPolarHBondContact OD1-CB 3.39Å; D345-H347 PolarHBondContact OD1-N 2.8Å
346A93.4Very high90.7Very high21 Ų2128.2 Ų28.217%0.17415%0.145CC..  trans58.817.6-177.100000114.5Q307 Y308 S342 L348Q307-A346 WeakPolarHBondContact O-CB 3.3Å; Y308-A346 HydrophobicContact CD1-CB 3.51Å; Y308-A346 HydrophobicContact CE1-CB 3.64Å; Y308-A346 HydrophobicContact CG-CB 4Å; S342-A346 WeakPolarHBondContact O-CA 3.33Å; S342-A346 PolarHBondContact O-N 2.79Å; A346-L348 PolarHBondContact O-N 3.29Å
347H91.5Very high90.2Very high76 Ų7632.6 Ų32.635%0.35218%0.175SC..  trans-71.1133177.1-16174000110.9W341 S342 D345 L349W341-H347 CarbonylContact C-O 3.57Å; W341-H347 WeakPolarHBondContact CA-O 3.05Å; W341-H347 WeakPolarHBondContact CB-O 3.38Å; S342-H347 PolarHBondContact N-O 3.29Å; D345-H347 PolarHBondContact O-N 2.82Å; D345-H347 VanDerWaalsContact O-N 3.15Å; D345-H347 WeakPolarHBondContact OD1-CB 3.39Å; D345-H347 PolarHBondContact OD1-N 2.8Å; H347-L349 PolarHBondContact O-N 2.84Å
348L92.4Very high89.4Confident36 Ų3632.4 Ų32.419%0.18818%0.182CC..EExtended strand (participates in β ladder)trans-71.3114.7174.8179.965.1000109.4E12 R339 W341 A346E12-L348 HydrophobicContact CG-CD2 3.81Å; R339-L348 HydrophobicContact CB-CD1 3.82Å; R339-L348 HydrophobicContact CG-CD1 3.89Å; W341-L348 HydrophobicContact CD2-CD1 4.34Å; W341-L348 HydrophobicContact CG-CD1 4.34Å; A346-L348 PolarHBondContact O-N 3.29Å
349L90.1Very high88.6Confident19 Ų1934.5 Ų34.510%0.09920%0.197CC..EExtended strand (participates in β ladder)trans-87.8-42.9-178.7-59174.6000111.5R44 N47 E48 I328 I340 H347R44-L349 HydrophobicContact CG-CD2 3.97Å; N47-L349 HydrophobicContact CB-CD1 3.84Å; E48-L349 HydrophobicContact CB-CD2 4.27Å; I328-L349 HydrophobicContact CG2-CD1 3.97Å; I340-L349 HydrophobicContact CG2-CD1 4.34Å; I340-L349 WeakPolarHBondContact O-CA 3.16Å; I340-L349 WeakPolarHBondContact O-CB 3.47Å; I340-L349 PolarHBondContact O-N 2.9Å; H347-L349 PolarHBondContact O-N 2.84Å
350R88.9Confident87.4Confident54 Ų5440.2 Ų40.220%0.20422%0.224CC..EExtended strand (participates in β ladder)trans-157.4143179.1-174.9170.6-179.1168.10.3112.6V51 S52 M54 R339 I340 I352V51-R350 HydrophobicContact CB-CB 4.5Å; V51-R350 HydrophobicContact CG1-CB 3.29Å; V51-R350 HydrophobicContact CG1-CG 4.01Å; V51-R350 WeakPolarHBondContact O-CD 3.26Å; V51-R350 PolarHBondContact O-NH1 3.06Å; S52-R350 PolarHBondContact O-NH1 3.26Å; S52-R350 VanDerWaalsContact O-NH1 3.15Å; M54-R350 VanDerWaalsContact CB-NH1 3.26Å; M54-R350 VanDerWaalsContact O-CZ 3.32Å; M54-R350 PolarHBondContact O-NH1 2.82Å; M54-R350 PolarHBondContact O-NH2 3.29Å; R339-R350 WeakPolarHBondContact CA-O 3.43Å; I340-R350 PolarHBondContact N-O 2.81Å; I340-R350 PolarHBondContact O-N 3.28Å; I340-R350 VanDerWaalsContact O-N 3.17Å; R350-I352 HydrophobicContact CG-CG1 3.95Å
351T91.3Very high86.2Confident9 Ų946.5 Ų46.56%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-110.2126.4166.3-50.10000109.3E12 Y337 R339E12-T351 VanDerWaalsContact CD-OG1 3.31Å; E12-T351 WeakPolarHBondContact OE2-CB 3.39Å; E12-T351 WeakPolarHBondContact OE2-CG2 3.48Å; E12-T351 PolarHBondContact OE2-OG1 2.96Å; Y337-T351 HydrophobicContact CD1-CG2 3.59Å; Y337-T351 HydrophobicContact CG-CG2 3.99Å; R339-T351 HydrophobicContact CG-CG2 4.03Å
352I90.1Very high85.4Confident6 Ų647 Ų473%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-114.3113.3178.1-56.4176.5000108T338 I340 R350 L382 M384 F393T338-I352 PolarHBondContact N-O 3.36Å; T338-I352 PolarHBondContact O-N 3.13Å; I340-I352 HydrophobicContact CD1-CD1 4.09Å; R350-I352 HydrophobicContact CG-CG1 3.95Å; I352-L382 HydrophobicContact CD1-CD2 3.86Å; I352-M384 HydrophobicContact CG2-CE 3.91Å; I352-F393 HydrophobicContact CD1-CD1 4.13Å; I352-F393 HydrophobicContact CD1-CE1 4.25Å; I352-F393 HydrophobicContact CD1-CG 4.42Å; I352-F393 HydrophobicContact CG2-CE1 3.72Å; I352-F393 HydrophobicContact CG2-CE2 4.41Å; I352-F393 HydrophobicContact CG2-CZ 3.61Å
353P89.3Confident85Confident71 Ų7149.8 Ų49.846%0.46127%0.274SS..EExtended strand (participates in β ladder)trans-69.5145.3175.526.7-32.1000111.5Y337Y337-P353 HydrophobicContact CD1-CB 3.96Å; Y337-P353 HydrophobicContact CE1-CB 3.67Å
354S87.7Confident84.7Confident15 Ų1549.5 Ų49.511%0.10527%0.273CS..  trans-55.4142.7162.7179.50000110.5C336 Y356C336-S354 VanDerWaalsContact O-CB 3.26Å; C336-S354 WeakPolarHBondContact O-CB 3.44Å; C336-S354 PolarHBondContact O-N 3.18Å; S354-Y356 PolarHBondContact O-N 3.06Å; S354-Y356 PolarHBondContact OG-N 2.78Å; S354-Y356 PolarHBondContact OG-O 2.67Å
355P85.1Confident84.4Confident40 Ų4047 Ų4726%0.2626%0.264SS..SBendtrans-64.7-16.4172.124.4-31.8000113.4Y391P355-Y391 HydrophobicContact CB-CE2 4.32Å; P355-Y391 HydrophobicContact CG-CD2 4.16Å; P355-Y391 HydrophobicContact CG-CE2 3.49Å; P355-Y391 VanDerWaalsContact CG-CE2 3.49Å
356Y83.2Confident84.3Confident62 Ų6244.5 Ų44.524%0.24325%0.25CS..SBendtrans-107158177.7-57.1-78.7000110.7S354 V386 R387 D389S354-Y356 PolarHBondContact O-N 3.06Å; S354-Y356 PolarHBondContact OG-N 2.78Å; S354-Y356 PolarHBondContact OG-O 2.67Å; Y356-V386 HydrophobicContact CD2-CB 3.92Å; Y356-V386 HydrophobicContact CD2-CG1 3.56Å; Y356-V386 HydrophobicContact CE2-CB 3.99Å; Y356-V386 HydrophobicContact CE2-CG1 4.05Å; Y356-R387 VanDerWaalsContact CD1-NH1 3.3Å; Y356-R387 HydrophobicContact CE2-CB 4.36Å; Y356-R387 HydrophobicContact CE2-CG 4.4Å; Y356-D389 VanDerWaalsContact OH-CG 3.3Å; Y356-D389 PolarHBondContact OH-OD2 3.11Å
357S78.7Confident83.8Confident93 Ų9343.5 Ų43.565%0.6524%0.243SC*.  trans-56.5140.6169.452.70000109.6S359S357-S359 PolarHBondContact O-N 2.91Å
358A74.9Confident83.2Confident37 Ų3741.1 Ų41.131%0.30623%0.231SC..  trans-64.4133.3178.100000111.2R5 C336R5-A358 VanDerWaalsContact CZ-CB 3.47Å; C336-A358 HydrophobicContact CB-CB 3.83Å; C336-A358 VanDerWaalsContact SG-CA 3.58Å
359S75.8Confident82.4Confident44 Ų4439.6 Ų39.631%0.30822%0.224SC..  trans-147.8148177.9177.30000107.1S357 D361 D362S357-S359 PolarHBondContact O-N 2.91Å; S359-D361 PolarHBondContact O-N 2.85Å; S359-D361 PolarHBondContact OG-N 3.17Å; S359-D362 PolarHBondContact O-N 2.75Å; S359-D362 VanDerWaalsContact O-N 3.16Å
360E68.6Low81.3Confident120 Ų12040.6 Ų40.656%0.56123%0.232SC*.G310 helixtrans-60.1-29.3176.9-59.3-166.315300112.2Q334Q334-E360 HydrophobicContact CG-CG 4.4Å; Q334-E360 PolarHBondContact NE2-OE1 3.34Å
361D68.9Low80.2Confident133 Ų13345.2 Ų45.271%0.71125%0.25SC*.G310 helixtrans-83.9-10-178.5-64.9-35.1000114S359S359-D361 PolarHBondContact O-N 2.85Å; S359-D361 PolarHBondContact OG-N 3.17Å
362D77.8Confident78.9Confident13 Ų1345.3 Ų45.37%0.0725%0.25CC..G310 helixtrans-121.933.1-171-66.8-56000112.7S359 P364 V386 R387S359-D362 PolarHBondContact O-N 2.75Å; S359-D362 VanDerWaalsContact O-N 3.16Å; D362-P364 VanDerWaalsContact O-CD 3.28Å; D362-P364 WeakPolarHBondContact O-CD 3.4Å; D362-V386 HydrophobicContact CB-CG1 4.47Å; D362-R387 WeakPolarHBondContact OD1-CG 3.35Å; D362-R387 IonicContact OD1-CZ 3.25Å; D362-R387 IonicContact OD1-NE 3.26Å; D362-R387 PolarHBondContact OD1-NE 2.81Å; D362-R387 IonicContact OD1-NH2 3.27Å; D362-R387 IonicContact OD2-CZ 2.79Å; D362-R387 VanDerWaalsContact OD2-CZ 3.3Å; D362-R387 IonicContact OD2-NE 2.91Å; D362-R387 PolarHBondContact OD2-NE 2.75Å; D362-R387 VanDerWaalsContact OD2-NE 3.11Å; D362-R387 IonicContact OD2-NH2 3.54Å; D362-R387 PolarHBondContact OD2-NH2 3.28Å
363I85.2Confident77.2Confident58 Ų5846 Ų4630%0.29726%0.259SS..PPolyproline II helixtrans-62121.5174.4-59.2177.1000108.9A316 G333 Q334A316-I363 HydrophobicContact CB-CD1 3.67Å; G333-I363 WeakPolarHBondContact O-CG2 3.29Å; Q334-I363 HydrophobicContact CB-CD1 4.33Å; Q334-I363 HydrophobicContact CG-CD1 4.49Å
364P85.7Confident75.5Confident3 Ų342.9 Ų42.92%0.01924%0.239CC..PPolyproline II helixtrans-58.9140.3176.8-23.833.1000112.1V332 D362 M384 A385 V386V332-P364 WeakPolarHBondContact CG1-O 3.38Å; V332-P364 HydrophobicContact CG2-CB 3.94Å; V332-P364 HydrophobicContact CG2-CG 3.9Å; D362-P364 VanDerWaalsContact O-CD 3.28Å; D362-P364 WeakPolarHBondContact O-CD 3.4Å; P364-M384 HydrophobicContact CB-CG 4Å; P364-A385 WeakPolarHBondContact CA-O 2.87Å; P364-V386 HydrophobicContact CB-CG2 3.55Å; P364-V386 HydrophobicContact CG-CG2 3.66Å
365S85Confident73.4Confident22 Ų2249.4 Ų49.415%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-93.5126.1162.4-176.60000108.3I77 M384 A385I77-S365 PolarHBondContact N-OG 3Å; S365-M384 WeakPolarHBondContact O-CA 3.13Å; S365-A385 PolarHBondContact N-O 2.69Å; S365-A385 PolarHBondContact O-N 3.12Å
366V87.3Confident71.4Confident2 Ų259.5 Ų59.51%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-114150.7179.8-66.20000110.3H321 V330 V332 T338 L382 L383 M384H321-V366 PolarHBondContact CE1-O 3.28Å; H321-V366 PolarHBondContact NE2-O 3.11Å; V330-V366 HydrophobicContact CG1-CG2 4.47Å; V332-V366 HydrophobicContact CB-CG1 4.29Å; V332-V366 HydrophobicContact CB-CG2 4.28Å; V332-V366 HydrophobicContact CG1-CB 4.33Å; V332-V366 HydrophobicContact CG1-CG1 3.95Å; V332-V366 HydrophobicContact CG1-CG2 3.57Å; T338-V366 HydrophobicContact CG2-CG1 3.98Å; V366-L382 HydrophobicContact CB-CD1 4.02Å; V366-L382 HydrophobicContact CG1-CD1 4.42Å; V366-L383 CarbonylContact C-O 3.49Å; V366-L383 VanDerWaalsContact CA-O 3.23Å; V366-L383 WeakPolarHBondContact CA-O 3.3Å; V366-M384 HydrophobicContact CG1-CB 4.28Å; V366-M384 HydrophobicContact CG1-CG 4.34Å
367A82.9Confident69.9Low1 Ų158.6 Ų58.61%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-145.5140.4170.700000109.4I77 A79 L383I77-A367 HydrophobicContact CB-CB 4.32Å; I77-A367 HydrophobicContact CG2-CB 3.67Å; A79-A367 HydrophobicContact CB-CB 4.1Å; A367-L383 PolarHBondContact N-O 3.24Å; A367-L383 PolarHBondContact O-N 3.48Å
368F79.4Confident68.9Low25 Ų2556.8 Ų56.811%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-94.7126.6173.8-164.6-89.1000109.9A79 H321 H323 I328 P380 F395A79-F368 VanDerWaalsContact CB-O 3.29Å; A79-F368 WeakPolarHBondContact CB-O 3.34Å; H321-F368 HydrophobicContact CB-CB 4.47Å; H323-F368 HydrophobicContact CB-CD1 4.1Å; H323-F368 HydrophobicContact CB-CE1 3.96Å; H323-F368 HydrophobicContact CB-CZ 4.33Å; H323-F368 AromaticContact CD2-CD1 3.39Å; H323-F368 WeakPolarHBondContact CD2-CD1 3.47Å; H323-F368 AromaticContact CD2-CE1 3.13Å; H323-F368 WeakPolarHBondContact CD2-CE1 3.25Å; H323-F368 AromaticContact CG-CD1 3.96Å; H323-F368 AromaticContact CG-CE1 3.54Å; H323-F368 AromaticContact NE2-CE1 3.67Å; I328-F368 HydrophobicContact CD1-CD2 4.22Å; I328-F368 HydrophobicContact CD1-CE2 3.38Å; I328-F368 HydrophobicContact CD1-CZ 3.65Å; F368-P380 HydrophobicContact CE1-CB 3.71Å; F368-P380 HydrophobicContact CZ-CB 3.58Å; F368-P380 HydrophobicContact CZ-CG 4.5Å; F368-F395 AromaticContact CE2-CE2 3.41Å; F368-F395 HydrophobicContact CE2-CE2 3.41Å; F368-F395 VanDerWaalsContact CE2-CE2 3.41Å; F368-F395 AromaticContact CE2-CZ 3.67Å; F368-F395 HydrophobicContact CE2-CZ 3.67Å; F368-F395 AromaticContact CZ-CE2 3.69Å; F368-F395 HydrophobicContact CZ-CE2 3.69Å; F368-F395 AromaticContact CZ-CZ 3.91Å; F368-F395 HydrophobicContact CZ-CZ 3.91Å
369A74.2Confident68.4Low5 Ų556.6 Ų56.64%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-109.1124.5172.300000109.3A79 L104 R371 L372 P380 G381 L383A79-A369 HydrophobicContact CB-CB 4.36Å; L104-A369 HydrophobicContact CD1-CB 4.11Å; A369-R371 VanDerWaalsContact C-N 3.3Å; A369-R371 PolarHBondContact O-N 3.14Å; A369-L372 HydrophobicContact CB-CD1 4.14Å; A369-L372 HydrophobicContact CB-CG 4.4Å; A369-P380 CarbonylContact O-C 3.59Å; A369-P380 VanDerWaalsContact O-CA 3.24Å; A369-P380 WeakPolarHBondContact O-CA 3.22Å; A369-G381 PolarHBondContact N-O 2.9Å; A369-G381 PolarHBondContact O-N 2.74Å; A369-L383 HydrophobicContact CB-CD1 4.1Å
370S68.1Low68.4Low39 Ų3955.1 Ų55.127%0.27329%0.293SS..EExtended strand (participates in β ladder)trans-70.8-25.4178.455.10000112.8P380S370-P380 WeakPolarHBondContact O-CA 3.42Å
371R65.6Low68.9Low152 Ų15249.4 Ų49.457%0.57427%0.266SS*.EExtended strand (participates in β ladder)trans-13272.9-176.1-60.5-175.5-175.1-155.40.2112A369 G373 A378A369-R371 VanDerWaalsContact C-N 3.3Å; A369-R371 PolarHBondContact O-N 3.14Å; R371-G373 PolarHBondContact O-N 2.73Å; R371-A378 HydrophobicContact CB-CB 4.39Å; R371-A378 HydrophobicContact CG-CB 4.37Å
372L62.9Low69.7Low10 Ų1043.1 Ų43.15%0.05223%0.232CC..EExtended strand (participates in β ladder)trans-83.1111.8178.4-136.4152.1000108.9L107 A369 A379 L383 C392L107-L372 HydrophobicContact CD1-CD2 3.51Å; L107-L372 HydrophobicContact CD1-CG 4.37Å; A369-L372 HydrophobicContact CB-CD1 4.14Å; A369-L372 HydrophobicContact CB-CG 4.4Å; L372-A379 WeakPolarHBondContact CA-O 3.39Å; L372-A379 WeakPolarHBondContact CB-O 3.47Å; L372-A379 PolarHBondContact N-O 3.07Å; L372-L383 HydrophobicContact CD1-CD1 4.17Å; L372-L383 HydrophobicContact CD1-CD2 4.16Å; L372-L383 HydrophobicContact CD1-CG 3.94Å; L372-C392 VanDerWaalsContact CD1-SG 3.57Å; L372-C392 WeakPolarHBondContact CD2-SG 3.39Å
373G54.7Low70.1Confident22 Ų2242.7 Ų42.723%0.22723%0.23CC..THydrogen-bonded Turntrans1112.9-178.500000116.3R371R371-G373 PolarHBondContact O-N 2.73Å
374G53.4Low70.1Confident4 Ų439.9 Ų39.94%0.04122%0.216CC..G310 helixtrans70.4-168.1175.800000115R376 G377 A378G374-R376 PolarHBondContact O-N 3.48Å; G374-G377 PolarHBondContact O-N 2.75Å; G374-G377 VanDerWaalsContact O-N 3.15Å; G374-A378 PolarHBondContact O-N 2.67Å
375I43.7Very low70.1Confident152 Ų15239.9 Ų39.978%0.77922%0.215SC*.G310 helixtrans-56.9-20.8-166.4-58.7166.3000114.5
376R44.4Very low70.1Confident252 Ų25238.9 Ų38.995%0.95121%0.209SC*.G310 helixtrans-111.21.9-175.8-66.8-171.1179.4-167.40.1115G374G374-R376 PolarHBondContact O-N 3.48Å
377G50.8Low69.7Low43 Ų4343.1 Ų43.144%0.44322%0.224SC..SBendtrans-152.335.9-177.900000113.4G374 A379G374-G377 PolarHBondContact O-N 2.75Å; G374-G377 VanDerWaalsContact O-N 3.15Å; G377-A379 PolarHBondContact O-N 3.22Å
378A56.9Low69.4Low56 Ų5647 Ų4746%0.46324%0.243SC..  trans-70.661.8-167.600000114.5R371 G374R371-A378 HydrophobicContact CB-CB 4.39Å; R371-A378 HydrophobicContact CG-CB 4.37Å; G374-A378 PolarHBondContact O-N 2.67Å
379A65.6Low69.4Low33 Ų3347.1 Ų47.127%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-83.2139.416500000109L372 G377 F395L372-A379 WeakPolarHBondContact CA-O 3.39Å; L372-A379 WeakPolarHBondContact CB-O 3.47Å; L372-A379 PolarHBondContact N-O 3.07Å; G377-A379 PolarHBondContact O-N 3.22Å; A379-F395 VanDerWaalsContact CB-O 3.28Å; A379-F395 WeakPolarHBondContact CB-O 3.44Å
380P75.4Confident69.7Low13 Ų1347 Ų478%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-62.4164.3169.425.1-31000110.3F368 A369 S370 F395F368-P380 HydrophobicContact CE1-CB 3.71Å; F368-P380 HydrophobicContact CZ-CB 3.58Å; F368-P380 HydrophobicContact CZ-CG 4.5Å; A369-P380 CarbonylContact O-C 3.59Å; A369-P380 VanDerWaalsContact O-CA 3.24Å; A369-P380 WeakPolarHBondContact O-CA 3.22Å; S370-P380 WeakPolarHBondContact O-CA 3.42Å; P380-F395 VanDerWaalsContact C-CD2 3.46Å; P380-F395 HydrophobicContact CB-CD2 4.16Å; P380-F395 HydrophobicContact CB-CE2 4.44Å; P380-F395 HydrophobicContact CG-CB 4.1Å; P380-F395 HydrophobicContact CG-CD1 4.34Å; P380-F395 HydrophobicContact CG-CD2 4.05Å; P380-F395 HydrophobicContact CG-CG 3.91Å; P380-F395 WeakPolarHBondContact O-CB 3.35Å; P380-F395 WeakPolarHBondContact O-CD2 3.42Å; P380-F395 PolarHBondContact O-N 3.48Å
381G79.9Confident70.4Confident0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-166.8151179.900000113.3A369 F393A369-G381 PolarHBondContact N-O 2.9Å; A369-G381 PolarHBondContact O-N 2.74Å; G381-F393 VanDerWaalsContact CA-O 3.32Å; G381-F393 WeakPolarHBondContact CA-O 3.11Å
382L85.7Confident71.3Confident1 Ų138.9 Ų38.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-91.4133.5173.3174.270.8000109.1V330 T338 I340 I352 V366 F393V330-L382 HydrophobicContact CG1-CD1 3.88Å; T338-L382 HydrophobicContact CG2-CD2 3.83Å; I340-L382 HydrophobicContact CD1-CD2 4.3Å; I352-L382 HydrophobicContact CD1-CD2 3.86Å; V366-L382 HydrophobicContact CB-CD1 4.02Å; V366-L382 HydrophobicContact CG1-CD1 4.42Å; L382-F393 HydrophobicContact CB-CB 4.14Å; L382-F393 HydrophobicContact CD2-CD2 4.41Å; L382-F393 PolarHBondContact N-O 2.79Å; L382-F393 PolarHBondContact O-N 3.27Å
383L84.8Confident72.2Confident3 Ų338.6 Ų38.62%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-110.9140.3171.5-67.2155.2000108.6L86 L104 V366 A367 A369 L372 Y391 C392L86-L383 HydrophobicContact CD1-CD1 3.43Å; L86-L383 VanDerWaalsContact CD1-CD1 3.43Å; L86-L383 HydrophobicContact CD1-CD2 4.37Å; L86-L383 HydrophobicContact CD1-CG 4.43Å; L86-L383 HydrophobicContact CD2-CD1 3.28Å; L86-L383 HydrophobicContact CG-CD1 3.85Å; L104-L383 HydrophobicContact CD1-CD1 4.44Å; V366-L383 CarbonylContact C-O 3.49Å; V366-L383 VanDerWaalsContact CA-O 3.23Å; V366-L383 WeakPolarHBondContact CA-O 3.3Å; A367-L383 PolarHBondContact N-O 3.24Å; A367-L383 PolarHBondContact O-N 3.48Å; A369-L383 HydrophobicContact CB-CD1 4.1Å; L372-L383 HydrophobicContact CD1-CD1 4.17Å; L372-L383 HydrophobicContact CD1-CD2 4.16Å; L372-L383 HydrophobicContact CD1-CG 3.94Å; L383-Y391 WeakPolarHBondContact CA-O 3.4Å; L383-C392 HydrophobicContact CD2-CB 3.83Å
384M86.4Confident73.3Confident0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-135.5120.5-178.6174.7-169.3-69.400108.2T338 I352 P364 S365 V366 V386 Y391 F393T338-M384 WeakPolarHBondContact OG1-CE 3.12Å; I352-M384 HydrophobicContact CG2-CE 3.91Å; P364-M384 HydrophobicContact CB-CG 4Å; S365-M384 WeakPolarHBondContact O-CA 3.13Å; V366-M384 HydrophobicContact CG1-CB 4.28Å; V366-M384 HydrophobicContact CG1-CG 4.34Å; M384-V386 HydrophobicContact CG-CG2 3.89Å; M384-V386 HydrophobicContact SD-CG2 4.13Å; M384-Y391 PolarHBondContact N-O 3.13Å; M384-Y391 PolarHBondContact O-N 2.6Å; M384-F393 HydrophobicContact CB-CE2 4.02Å; M384-F393 HydrophobicContact CE-CE2 4.1Å; M384-F393 HydrophobicContact CE-CZ 4.37Å; M384-F393 HydrophobicContact SD-CE2 4.26Å
385A84.6Confident74.3Confident2 Ų238.7 Ų38.72%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-108136.3166.100000111.5F74 I77 P364 S365 D389 L390F74-A385 HydrophobicContact CB-CB 3.64Å; F74-A385 HydrophobicContact CD1-CB 4.31Å; F74-A385 HydrophobicContact CD2-CB 3.64Å; F74-A385 HydrophobicContact CE2-CB 4.38Å; F74-A385 HydrophobicContact CG-CB 3.6Å; I77-A385 HydrophobicContact CD1-CB 3.19Å; I77-A385 HydrophobicContact CG1-CB 4.01Å; P364-A385 WeakPolarHBondContact CA-O 2.87Å; S365-A385 PolarHBondContact N-O 2.69Å; S365-A385 PolarHBondContact O-N 3.12Å; A385-D389 WeakPolarHBondContact CA-O 3.41Å; A385-L390 HydrophobicContact CB-CD1 4.09Å
386V84.5Confident75.1Confident2 Ų237.3 Ų37.31%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-142.6128.4174.4-164.60000107.6Y356 D362 P364 M384 Q388 D389Y356-V386 HydrophobicContact CD2-CB 3.92Å; Y356-V386 HydrophobicContact CD2-CG1 3.56Å; Y356-V386 HydrophobicContact CE2-CB 3.99Å; Y356-V386 HydrophobicContact CE2-CG1 4.05Å; D362-V386 HydrophobicContact CB-CG1 4.47Å; P364-V386 HydrophobicContact CB-CG2 3.55Å; P364-V386 HydrophobicContact CG-CG2 3.66Å; M384-V386 HydrophobicContact CG-CG2 3.89Å; M384-V386 HydrophobicContact SD-CG2 4.13Å; V386-Q388 PolarHBondContact O-N 3.14Å; V386-Q388 VanDerWaalsContact O-N 3.11Å; V386-D389 PolarHBondContact N-O 3.28Å; V386-D389 PolarHBondContact O-N 3.25Å
387R80.4Confident76.6Confident90 Ų9026.6 Ų26.634%0.3417%0.167SC..THydrogen-bonded Turntrans53.8-114.3-175.1-61.9175.3176.6179.31.6111R73 F74 Y356 D362R73-R387 CarbonylContact C-O 3.56Å; R73-R387 WeakPolarHBondContact CA-O 3.4Å; F74-R387 VanDerWaalsContact CD2-O 3.29Å; F74-R387 WeakPolarHBondContact CD2-O 3.48Å; F74-R387 PolarHBondContact N-O 3Å; Y356-R387 VanDerWaalsContact CD1-NH1 3.3Å; Y356-R387 HydrophobicContact CE2-CB 4.36Å; Y356-R387 HydrophobicContact CE2-CG 4.4Å; D362-R387 WeakPolarHBondContact OD1-CG 3.35Å; D362-R387 IonicContact OD1-CZ 3.25Å; D362-R387 IonicContact OD1-NE 3.26Å; D362-R387 PolarHBondContact OD1-NE 2.81Å; D362-R387 IonicContact OD1-NH2 3.27Å; D362-R387 IonicContact OD2-CZ 2.79Å; D362-R387 VanDerWaalsContact OD2-CZ 3.3Å; D362-R387 IonicContact OD2-NE 2.91Å; D362-R387 PolarHBondContact OD2-NE 2.75Å; D362-R387 VanDerWaalsContact OD2-NE 3.11Å; D362-R387 IonicContact OD2-NH2 3.54Å; D362-R387 PolarHBondContact OD2-NH2 3.28Å
388Q75.6Confident78Confident84 Ų8425.7 Ų25.739%0.39315%0.152SC..THydrogen-bonded Turntrans-102.2-4.6-178.6-68.2168.911.400112.7A70 D72 F74 V386A70-Q388 VanDerWaalsContact C-NE2 3.35Å; A70-Q388 PolarHBondContact O-NE2 3.2Å; D72-Q388 VanDerWaalsContact O-CG 3.25Å; D72-Q388 WeakPolarHBondContact O-CG 3.43Å; F74-Q388 WeakPolarHBondContact CE2-O 3.25Å; V386-Q388 PolarHBondContact O-N 3.14Å; V386-Q388 VanDerWaalsContact O-N 3.11Å
389D79.9Confident79.1Confident27 Ų2724.1 Ų24.114%0.14414%0.135CC..EExtended strand (participates in β ladder)trans-102.1135.8-171.7-76.7-16.7000111K58 Y356 A385 V386 Y391K58-D389 VanDerWaalsContact CE-CG 3.48Å; K58-D389 WeakPolarHBondContact CE-OD1 3.45Å; K58-D389 IonicContact NZ-OD1 2.75Å; K58-D389 PolarHBondContact NZ-OD1 2.8Å; K58-D389 IonicContact NZ-OD2 2.69Å; K58-D389 PolarHBondContact NZ-OD2 3.28Å; Y356-D389 VanDerWaalsContact OH-CG 3.3Å; Y356-D389 PolarHBondContact OH-OD2 3.11Å; A385-D389 WeakPolarHBondContact CA-O 3.41Å; V386-D389 PolarHBondContact N-O 3.28Å; V386-D389 PolarHBondContact O-N 3.25Å; D389-Y391 HydrophobicContact CB-CD2 4.23Å; D389-Y391 HydrophobicContact CB-CE2 3.35Å; D389-Y391 PolarHBondContact OD2-OH 3.32Å
390L80.7Confident79.9Confident2 Ų223.5 Ų23.51%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-110.1130.5171-18065000109.4V59 I61 F74 I77 I102 V114 A385V59-L390 HydrophobicContact CB-CB 4.09Å; V59-L390 HydrophobicContact CB-CD2 4.07Å; V59-L390 HydrophobicContact CB-CG 4.01Å; V59-L390 WeakPolarHBondContact CB-O 2.98Å; V59-L390 HydrophobicContact CG1-CD2 3.87Å; V59-L390 HydrophobicContact CG1-CG 4.37Å; V59-L390 HydrophobicContact CG2-CD2 4.32Å; V59-L390 HydrophobicContact CG2-CG 4.14Å; V59-L390 PolarHBondContact N-O 3.32Å; I61-L390 HydrophobicContact CD1-CB 4.07Å; F74-L390 HydrophobicContact CE2-CB 4.22Å; F74-L390 HydrophobicContact CZ-CB 4.44Å; I77-L390 HydrophobicContact CD1-CD1 3.57Å; I102-L390 HydrophobicContact CD1-CD2 3.75Å; V114-L390 HydrophobicContact CG2-CD2 4.45Å; A385-L390 HydrophobicContact CB-CD1 4.09Å
391Y83.3Confident80.2Confident19 Ų1924.2 Ų24.28%0.07513%0.129CC..EExtended strand (participates in β ladder)trans-120.5143.6178.7-61.3-85.8000110.2R56 K57 K58 P355 L383 M384 D389R56-Y391 HydrophobicContact CG-CD1 3.54Å; R56-Y391 HydrophobicContact CG-CE1 4.23Å; R56-Y391 HydrophobicContact CG-CG 4.22Å; K57-Y391 WeakPolarHBondContact O-CA 3.44Å; K58-Y391 HydrophobicContact CB-CD1 4.1Å; K58-Y391 HydrophobicContact CB-CE1 3.96Å; K58-Y391 HydrophobicContact CD-CE1 4.2Å; K58-Y391 HydrophobicContact CG-CD1 4.43Å; K58-Y391 HydrophobicContact CG-CE1 4.06Å; P355-Y391 HydrophobicContact CB-CE2 4.32Å; P355-Y391 HydrophobicContact CG-CD2 4.16Å; P355-Y391 HydrophobicContact CG-CE2 3.49Å; P355-Y391 VanDerWaalsContact CG-CE2 3.49Å; L383-Y391 WeakPolarHBondContact CA-O 3.4Å; M384-Y391 PolarHBondContact N-O 3.13Å; M384-Y391 PolarHBondContact O-N 2.6Å; D389-Y391 HydrophobicContact CB-CD2 4.23Å; D389-Y391 HydrophobicContact CB-CE2 3.35Å; D389-Y391 PolarHBondContact OD2-OH 3.32Å
392C82.9Confident80.2Confident1 Ų125.8 Ų25.81%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-120.8137.4175.81800000109.8K57 V59 F112 L372 L383K57-C392 PolarHBondContact N-O 3.14Å; K57-C392 PolarHBondContact O-N 3.33Å; V59-C392 HydrophobicContact CG2-CB 4.01Å; F112-C392 HydrophobicContact CE2-CB 4.42Å; L372-C392 VanDerWaalsContact CD1-SG 3.57Å; L372-C392 WeakPolarHBondContact CD2-SG 3.39Å; L383-C392 HydrophobicContact CD2-CB 3.83Å
393F83.6Confident79.9Confident4 Ų427.6 Ų27.62%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-12482.5176-61.8-95.3000107.6M54 R56 I352 G381 L382 M384M54-F393 HydrophobicContact CB-CB 4.14Å; M54-F393 HydrophobicContact CB-CD1 4.43Å; M54-F393 HydrophobicContact SD-CB 4.24Å; R56-F393 HydrophobicContact CB-CD1 4.23Å; R56-F393 HydrophobicContact CB-CE1 3.49Å; R56-F393 VanDerWaalsContact CB-CE1 3.49Å; R56-F393 HydrophobicContact CB-CZ 3.84Å; R56-F393 HydrophobicContact CG-CE1 3.97Å; R56-F393 HydrophobicContact CG-CZ 3.75Å; I352-F393 HydrophobicContact CD1-CD1 4.13Å; I352-F393 HydrophobicContact CD1-CE1 4.25Å; I352-F393 HydrophobicContact CD1-CG 4.42Å; I352-F393 HydrophobicContact CG2-CE1 3.72Å; I352-F393 HydrophobicContact CG2-CE2 4.41Å; I352-F393 HydrophobicContact CG2-CZ 3.61Å; G381-F393 VanDerWaalsContact CA-O 3.32Å; G381-F393 WeakPolarHBondContact CA-O 3.11Å; L382-F393 HydrophobicContact CB-CB 4.14Å; L382-F393 HydrophobicContact CD2-CD2 4.41Å; L382-F393 PolarHBondContact N-O 2.79Å; L382-F393 PolarHBondContact O-N 3.27Å; M384-F393 HydrophobicContact CB-CE2 4.02Å; M384-F393 HydrophobicContact CE-CE2 4.1Å; M384-F393 HydrophobicContact CE-CZ 4.37Å; M384-F393 HydrophobicContact SD-CE2 4.26Å
394P76.9Confident79.5Confident21 Ų2129.5 Ų29.514%0.13616%0.158CC..EExtended strand (participates in β ladder)trans-67.9144.8178.429.7-33000110.1K57K57-P394 HydrophobicContact CD-CG 4.41Å
395F74.1Confident78.9Confident7 Ų731.9 Ų31.93%0.03117%0.171CC..  trans-71.3133.4165-73.8-119.5000107.2R50 V51 M54 I328 F368 A379 P380R50-F395 HydrophobicContact CB-CD1 4.04Å; V51-F395 HydrophobicContact CG2-CE1 3.93Å; V51-F395 HydrophobicContact CG2-CZ 4.25Å; M54-F395 HydrophobicContact CE-CD1 3.98Å; M54-F395 HydrophobicContact CE-CD2 3.34Å; M54-F395 HydrophobicContact CE-CE1 3.66Å; M54-F395 HydrophobicContact CE-CE2 2.99Å; M54-F395 HydrophobicContact CE-CG 3.84Å; M54-F395 HydrophobicContact CE-CZ 3.15Å; I328-F395 HydrophobicContact CD1-CE1 4.28Å; I328-F395 HydrophobicContact CD1-CZ 3.61Å; F368-F395 AromaticContact CE2-CE2 3.41Å; F368-F395 HydrophobicContact CE2-CE2 3.41Å; F368-F395 VanDerWaalsContact CE2-CE2 3.41Å; F368-F395 AromaticContact CE2-CZ 3.67Å; F368-F395 HydrophobicContact CE2-CZ 3.67Å; F368-F395 AromaticContact CZ-CE2 3.69Å; F368-F395 HydrophobicContact CZ-CE2 3.69Å; F368-F395 AromaticContact CZ-CZ 3.91Å; F368-F395 HydrophobicContact CZ-CZ 3.91Å; A379-F395 VanDerWaalsContact CB-O 3.28Å; A379-F395 WeakPolarHBondContact CB-O 3.44Å; P380-F395 VanDerWaalsContact C-CD2 3.46Å; P380-F395 HydrophobicContact CB-CD2 4.16Å; P380-F395 HydrophobicContact CB-CE2 4.44Å; P380-F395 HydrophobicContact CG-CB 4.1Å; P380-F395 HydrophobicContact CG-CD1 4.34Å; P380-F395 HydrophobicContact CG-CD2 4.05Å; P380-F395 HydrophobicContact CG-CG 3.91Å; P380-F395 WeakPolarHBondContact O-CB 3.35Å; P380-F395 WeakPolarHBondContact O-CD2 3.42Å; P380-F395 PolarHBondContact O-N 3.48Å
396S60.3Low78.4Confident124 Ų12434.6 Ų34.687%0.86719%0.185SC*.  trans-91.70175.655.90000112.5C53C53-S396 WeakPolarHBondContact CB-OG 3.36Å

Retrieved 396 of 396 residues in 96.4 ms (Link to these results)

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