A0A087XHR3_POEFO Loading...

Arsenite methyltransferase

AlphaFold DB , UniProt , Accession A0A087XHR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 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
1M44.8Very low65Low202 Ų20285.6 Ų85.6100%0.99546%0.462SS*.  0-590-66.9-178.1-171.600111.4H3 H4 N5M1-H3 PolarHBondContact O-N 3.15Å; M1-H4 PolarHBondContact O-N 3.2Å; M1-H4 VanDerWaalsContact O-N 3.13Å; M1-N5 PolarHBondContact O-N 2.79Å; M1-N5 VanDerWaalsContact O-N 3.09Å; M1-N5 PolarHBondContact O-OD1 3.49Å
2A43.2Very low66.1Low84 Ų8478.8 Ų78.869%0.69443%0.426SS*.Hα-helixtrans-55-45.5-178.800000115.6H4 N5 S6A2-H4 PolarHBondContact O-N 3.07Å; A2-N5 PolarHBondContact O-N 3.17Å; A2-S6 PolarHBondContact O-N 3.32Å; A2-S6 VanDerWaalsContact O-N 3.13Å
3H41.9Very low67Low180 Ų18079.1 Ų79.183%0.83342%0.421SS*.Hα-helixtrans-66.6-32178-77.2-65.8000114.1M1 S7M1-H3 PolarHBondContact O-N 3.15Å; H3-S7 PolarHBondContact O-N 2.99Å
4H58.8Low67.9Low104 Ų10477.5 Ų77.548%0.48141%0.412SS..Hα-helixtrans-74.1-42.6178.5-175.669000110.8M1 A2 S6 S7 V8M1-H4 PolarHBondContact O-N 3.2Å; M1-H4 VanDerWaalsContact O-N 3.13Å; A2-H4 PolarHBondContact O-N 3.07Å; H4-S6 PolarHBondContact O-N 2.99Å; H4-S7 PolarHBondContact O-N 3.37Å; H4-V8 WeakPolarHBondContact O-CG2 3.5Å; H4-V8 PolarHBondContact O-N 3.23Å; H4-V8 VanDerWaalsContact O-N 3.12Å
5N62.6Low68.3Low45 Ų4574.7 Ų74.724%0.24139%0.394CS..Hα-helixtrans-64-39.4177.7-64.413.3000112M1 A2 S7 V8 H9 P161M1-N5 PolarHBondContact O-N 2.79Å; M1-N5 VanDerWaalsContact O-N 3.09Å; M1-N5 PolarHBondContact O-OD1 3.49Å; A2-N5 PolarHBondContact O-N 3.17Å; N5-S7 PolarHBondContact O-N 2.83Å; N5-V8 PolarHBondContact O-N 3.19Å; N5-H9 PolarHBondContact O-N 3.41Å; N5-H9 PolarHBondContact O-ND1 2.59Å; N5-P161 HydrophobicContact CB-CB 4.32Å; N5-P161 HydrophobicContact CB-CG 3.94Å
6S64.1Low68.5Low57 Ų5772.6 Ų72.640%0.39938%0.38SS..Hα-helixtrans-61-42.9175.5-163.90000112.2A2 H4 V8 H9 E10A2-S6 PolarHBondContact O-N 3.32Å; A2-S6 VanDerWaalsContact O-N 3.13Å; H4-S6 PolarHBondContact O-N 2.99Å; S6-V8 PolarHBondContact O-N 3.14Å; S6-H9 PolarHBondContact O-N 2.96Å; S6-E10 WeakPolarHBondContact O-CG 3.37Å; S6-E10 PolarHBondContact O-N 3.14Å; S6-E10 VanDerWaalsContact O-N 3.07Å
7S79.2Confident68.3Low56 Ų5669.8 Ų69.839%0.39237%0.372SS..Hα-helixtrans-65.1-38.1178.5-175.50000112.4H3 H4 N5 D11H3-S7 PolarHBondContact O-N 2.99Å; H4-S7 PolarHBondContact O-N 3.37Å; N5-S7 PolarHBondContact O-N 2.83Å; S7-D11 WeakPolarHBondContact O-CB 3.42Å; S7-D11 PolarHBondContact O-N 2.92Å
8V78.9Confident68.5Low14 Ų1473.4 Ų73.49%0.08538%0.384CS..Hα-helixtrans-66.3-46.3176.9171.10000110.8H4 N5 S6 E10 D11 V12 P161 W202H4-V8 WeakPolarHBondContact O-CG2 3.5Å; H4-V8 PolarHBondContact O-N 3.23Å; H4-V8 VanDerWaalsContact O-N 3.12Å; N5-V8 PolarHBondContact O-N 3.19Å; S6-V8 PolarHBondContact O-N 3.14Å; V8-E10 VanDerWaalsContact C-N 3.33Å; V8-E10 PolarHBondContact O-N 3.37Å; V8-D11 PolarHBondContact O-N 2.82Å; V8-V12 HydrophobicContact CG1-CG2 4.29Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.48Å; V8-V12 PolarHBondContact O-N 2.68Å; V8-P161 HydrophobicContact CB-CB 4.38Å; V8-P161 HydrophobicContact CG1-CB 4.25Å; V8-P161 HydrophobicContact CG1-CG 4.37Å; V8-W202 HydrophobicContact CG1-CH2 4.4Å; V8-W202 HydrophobicContact CG1-CZ2 3.46Å; V8-W202 VanDerWaalsContact CG1-CZ2 3.46Å
9H81.3Confident68.3Low33 Ų3378.3 Ų78.315%0.15340%0.397CS..Hα-helixtrans-59.9-42.5177.4-65.7152.2000112.4N5 S6 V12 K13 Y134 E136N5-H9 PolarHBondContact O-N 3.41Å; N5-H9 PolarHBondContact O-ND1 2.59Å; S6-H9 PolarHBondContact O-N 2.96Å; H9-V12 PolarHBondContact O-N 3.5Å; H9-K13 WeakPolarHBondContact O-CB 3.37Å; H9-K13 PolarHBondContact O-N 3.17Å; H9-Y134 HydrophobicContact CB-CE1 4.08Å; H9-Y134 AromaticContact CG-CE1 3.8Å; H9-Y134 AromaticContact ND1-CE1 3.8Å; H9-E136 IonicContact NE2-OE1 3.79Å
10E80.4Confident68Low118 Ų11874.5 Ų74.555%0.55138%0.378SS*.Hα-helixtrans-62.1-45.7175.9-74.5170.6-159.400111.7S6 V8 V12 K13 D14S6-E10 WeakPolarHBondContact O-CG 3.37Å; S6-E10 PolarHBondContact O-N 3.14Å; S6-E10 VanDerWaalsContact O-N 3.07Å; V8-E10 VanDerWaalsContact C-N 3.33Å; V8-E10 PolarHBondContact O-N 3.37Å; E10-V12 PolarHBondContact O-N 3.1Å; E10-K13 PolarHBondContact O-N 3.32Å; E10-D14 WeakPolarHBondContact O-CB 3.26Å; E10-D14 PolarHBondContact O-N 3.2Å
11D80.1Confident67.5Low49 Ų4976.9 Ų76.926%0.26239%0.387SS..Hα-helixtrans-62.4-43.6178.5-82.5-29000111.8S7 V8 Y15 K199S7-D11 WeakPolarHBondContact O-CB 3.42Å; S7-D11 PolarHBondContact O-N 2.92Å; V8-D11 PolarHBondContact O-N 2.82Å; D11-Y15 WeakPolarHBondContact O-CB 3.32Å; D11-Y15 PolarHBondContact O-N 2.89Å; D11-K199 VanDerWaalsContact CG-NZ 3.25Å; D11-K199 IonicContact OD1-NZ 2.76Å; D11-K199 PolarHBondContact OD1-NZ 3.41Å; D11-K199 WeakPolarHBondContact OD2-CE 3.47Å; D11-K199 IonicContact OD2-NZ 2.69Å; D11-K199 PolarHBondContact OD2-NZ 3.48Å
12V78.2Confident67.9Low4 Ų473.8 Ų73.82%0.02437%0.368CS..Hα-helixtrans-68.2-43.9177.7-178.70000110.7V8 H9 E10 D14 Y15 Y16 M102 L159V8-V12 HydrophobicContact CG1-CG2 4.29Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.48Å; V8-V12 PolarHBondContact O-N 2.68Å; H9-V12 PolarHBondContact O-N 3.5Å; E10-V12 PolarHBondContact O-N 3.1Å; V12-D14 VanDerWaalsContact C-N 3.34Å; V12-D14 PolarHBondContact O-N 2.86Å; V12-Y15 PolarHBondContact O-N 3.27Å; V12-Y16 HydrophobicContact CG1-CD2 3.67Å; V12-Y16 HydrophobicContact CG1-CE2 3.99Å; V12-Y16 WeakPolarHBondContact O-CD2 3.13Å; V12-Y16 PolarHBondContact O-N 2.7Å; V12-M102 HydrophobicContact CB-CE 3.87Å; V12-M102 HydrophobicContact CG1-CE 3.33Å; V12-L159 HydrophobicContact CG1-CB 4.17Å; V12-L159 HydrophobicContact CG1-CD1 4Å; V12-L159 HydrophobicContact CG1-CD2 4.47Å; V12-L159 HydrophobicContact CG1-CG 4.46Å; V12-L159 HydrophobicContact CG2-CB 4.34Å; V12-L159 HydrophobicContact CG2-CD2 4.47Å
13K77.8Confident68.3Low82 Ų8273.3 Ų73.336%0.35736%0.357SS..Hα-helixtrans-62.9-40177.9-174175.3-177.21740112H9 E10 G17H9-K13 WeakPolarHBondContact O-CB 3.37Å; H9-K13 PolarHBondContact O-N 3.17Å; E10-K13 PolarHBondContact O-N 3.32Å; K13-G17 WeakPolarHBondContact O-CA 3.35Å; K13-G17 PolarHBondContact O-N 2.91Å
14D79.4Confident68.8Low57 Ų5769.4 Ų69.431%0.30535%0.35SS..Hα-helixtrans-69.1-37.5174.7-87.2-1000111.7E10 V12 K18 R19E10-D14 WeakPolarHBondContact O-CB 3.26Å; E10-D14 PolarHBondContact O-N 3.2Å; V12-D14 VanDerWaalsContact C-N 3.34Å; V12-D14 PolarHBondContact O-N 2.86Å; D14-K18 WeakPolarHBondContact O-CB 3.31Å; D14-K18 PolarHBondContact O-N 3.46Å; D14-K18 WeakPolarHBondContact OD1-CE 3.36Å; D14-K18 IonicContact OD1-NZ 3.8Å; D14-K18 PolarHBondContact OD1-NZ 2.92Å; D14-K18 IonicContact OD2-NZ 2.72Å; D14-R19 PolarHBondContact O-N 3.13Å; D14-R19 VanDerWaalsContact O-N 3.09Å
15Y74Confident68.6Low35 Ų3567.6 Ų67.614%0.13734%0.344CS..Iπ-helixtrans-62.2-56.9176.8-168.1-106.9000111.8D11 V12 R19 L20 G203 E204D11-Y15 WeakPolarHBondContact O-CB 3.32Å; D11-Y15 PolarHBondContact O-N 2.89Å; V12-Y15 PolarHBondContact O-N 3.27Å; Y15-R19 HydrophobicContact CD2-CB 4.43Å; Y15-R19 WeakPolarHBondContact O-CB 3.49Å; Y15-R19 PolarHBondContact O-N 3.49Å; Y15-L20 HydrophobicContact CD1-CD1 3.51Å; Y15-L20 HydrophobicContact CD1-CG 4.36Å; Y15-L20 HydrophobicContact CE1-CD1 3.32Å; Y15-L20 HydrophobicContact CE1-CG 4.05Å; Y15-L20 HydrophobicContact CG-CD1 4.44Å; Y15-L20 PolarHBondContact O-N 3.35Å; Y15-G203 WeakPolarHBondContact CE1-O 3.27Å; Y15-E204 PolarHBondContact OH-OE1 3.41Å
16Y71.2Confident68.3Low42 Ų4266.9 Ų66.917%0.16534%0.34CS..Iπ-helixtrans-82-23.2-176.2-73.3-83.8000114.2V12 L20 L159 G203V12-Y16 HydrophobicContact CG1-CD2 3.67Å; V12-Y16 HydrophobicContact CG1-CE2 3.99Å; V12-Y16 WeakPolarHBondContact O-CD2 3.13Å; V12-Y16 PolarHBondContact O-N 2.7Å; Y16-L20 HydrophobicContact CD1-CD1 3.4Å; Y16-L20 VanDerWaalsContact CD1-CD1 3.4Å; Y16-L20 HydrophobicContact CE1-CD1 3.51Å; Y16-L20 HydrophobicContact CG-CD1 4.01Å; Y16-L159 HydrophobicContact CD2-CD1 4.35Å; Y16-L159 HydrophobicContact CE2-CD1 3.55Å; Y16-L159 HydrophobicContact CE2-CD2 4.26Å; Y16-G203 PolarHBondContact OH-O 3.31Å
17G65.1Low67.7Low25 Ų2570.4 Ų70.426%0.25835%0.348SS..Iπ-helixtrans-92.3-24.5-179.300000114.8K13K13-G17 WeakPolarHBondContact O-CA 3.35Å; K13-G17 PolarHBondContact O-N 2.91Å
18K72Confident66.4Low135 Ų13568.4 Ų68.459%0.58733%0.334SS*.Iπ-helixtrans-128.4-42.8-175.9-60.4174.5-175.9154.70113.9D14 Q21D14-K18 WeakPolarHBondContact O-CB 3.31Å; D14-K18 PolarHBondContact O-N 3.46Å; D14-K18 WeakPolarHBondContact OD1-CE 3.36Å; D14-K18 IonicContact OD1-NZ 3.8Å; D14-K18 PolarHBondContact OD1-NZ 2.92Å; D14-K18 IonicContact OD2-NZ 2.72Å; K18-Q21 PolarHBondContact O-NE2 3.46Å
19R64.8Low64.9Low165 Ų16569 Ų6962%0.62334%0.343SS*.Iπ-helixtrans-84.8-41.7-170.1-64.3-176179.2171.73.5113.3D14 Y15 Q21D14-R19 PolarHBondContact O-N 3.13Å; D14-R19 VanDerWaalsContact O-N 3.09Å; Y15-R19 HydrophobicContact CD2-CB 4.43Å; Y15-R19 WeakPolarHBondContact O-CB 3.49Å; Y15-R19 PolarHBondContact O-N 3.49Å; R19-Q21 PolarHBondContact O-N 3.03Å
20L61.9Low63Low3 Ų367.6 Ų67.62%0.01634%0.337CS..  trans-73.7117.2172.9-89.1157.2000109.8Y15 Y16 D25 L26 Y58Y15-L20 HydrophobicContact CD1-CD1 3.51Å; Y15-L20 HydrophobicContact CD1-CG 4.36Å; Y15-L20 HydrophobicContact CE1-CD1 3.32Å; Y15-L20 HydrophobicContact CE1-CG 4.05Å; Y15-L20 HydrophobicContact CG-CD1 4.44Å; Y15-L20 PolarHBondContact O-N 3.35Å; Y16-L20 HydrophobicContact CD1-CD1 3.4Å; Y16-L20 VanDerWaalsContact CD1-CD1 3.4Å; Y16-L20 HydrophobicContact CE1-CD1 3.51Å; Y16-L20 HydrophobicContact CG-CD1 4.01Å; L20-D25 HydrophobicContact CD2-CB 4.07Å; L20-L26 HydrophobicContact CD1-CD2 4.36Å; L20-L26 HydrophobicContact CD2-CD2 3.9Å; L20-L26 HydrophobicContact CD2-CG 4.07Å; L20-Y58 HydrophobicContact CB-CD1 4.17Å; L20-Y58 HydrophobicContact CB-CE1 4.08Å; L20-Y58 HydrophobicContact CB-CE2 4.43Å; L20-Y58 HydrophobicContact CB-CG 4.43Å; L20-Y58 HydrophobicContact CD2-CD1 4.09Å; L20-Y58 PolarHBondContact O-OH 2.83Å; L20-Y58 VanDerWaalsContact O-OH 3.08Å
21Q57.9Low61.5Low124 Ų12464 Ų6458%0.57932%0.324SS*.  trans-113.7-26.7175-64.4-66.7-36.900111.1K18 R19 D25 Y58K18-Q21 PolarHBondContact O-NE2 3.46Å; R19-Q21 PolarHBondContact O-N 3.03Å; Q21-D25 PolarHBondContact N-OD2 2.91Å; Q21-Y58 PolarHBondContact O-OH 3.39Å
22K53.7Low60Low137 Ų13763.5 Ų63.560%0.59632%0.323SS*.SBendtrans-145.9155.6176.7-60.2-179.4-175.4174.80110.9S24 D25K22-S24 PolarHBondContact O-N 3.37Å; K22-S24 VanDerWaalsContact O-N 3.14Å; K22-D25 PolarHBondContact N-OD2 2.89Å; K22-D25 VanDerWaalsContact O-CB 3.31Å; K22-D25 WeakPolarHBondContact O-CB 3.43Å; K22-D25 VanDerWaalsContact O-CG 3.27Å; K22-D25 PolarHBondContact O-N 2.94Å
23T51.6Low58.4Low75 Ų7567 Ų6746%0.4635%0.352SS..G310 helixtrans-58.3-27175.8-39.30000113D25 L26T23-D25 PolarHBondContact O-N 3.25Å; T23-L26 HydrophobicContact CG2-CD1 4.1Å; T23-L26 PolarHBondContact O-N 3.23Å
24S52.3Low57.1Low98 Ų9866.3 Ų66.369%0.68536%0.356SS*.G310 helixtrans-67.2-11.4175.256.10000114.5K22 L26K22-S24 PolarHBondContact O-N 3.37Å; K22-S24 VanDerWaalsContact O-N 3.14Å; S24-L26 VanDerWaalsContact C-N 3.25Å
25D54.7Low55.7Low66 Ų6666.2 Ų66.235%0.35336%0.363SS..G310 helixtrans-80.6-9.3179.5-54.3-25.6000112.1L20 Q21 K22 T23L20-D25 HydrophobicContact CD2-CB 4.07Å; Q21-D25 PolarHBondContact N-OD2 2.91Å; K22-D25 PolarHBondContact N-OD2 2.89Å; K22-D25 VanDerWaalsContact O-CB 3.31Å; K22-D25 WeakPolarHBondContact O-CB 3.43Å; K22-D25 VanDerWaalsContact O-CG 3.27Å; K22-D25 PolarHBondContact O-N 2.94Å; T23-D25 PolarHBondContact O-N 3.25Å
26L56.7Low55Low30 Ų3070 Ų7016%0.15738%0.382CS..  trans-70.5133.7175.6-65.6169.9000110.8L20 T23 S24 C31L20-L26 HydrophobicContact CD1-CD2 4.36Å; L20-L26 HydrophobicContact CD2-CD2 3.9Å; L20-L26 HydrophobicContact CD2-CG 4.07Å; T23-L26 HydrophobicContact CG2-CD1 4.1Å; T23-L26 PolarHBondContact O-N 3.23Å; S24-L26 VanDerWaalsContact C-N 3.25Å; L26-C31 WeakPolarHBondContact CD1-SG 3.3Å
27K51.8Low54.9Low130 Ų13073.6 Ų73.657%0.56541%0.411SS*.  trans-97.1-4.9-168.3-66.8-171.6177.9-175.10114.5V200 E204K27-V200 HydrophobicContact CD-CG1 4.29Å; K27-E204 PolarHBondContact N-OE1 2.89Å; K27-E204 PolarHBondContact N-OE2 3.35Å
28T51.3Low55.5Low15 Ų1574.6 Ų74.69%0.09241%0.41CS..SBendtrans-129159.1-178.268.90000112.7A30 E204 L206 V237 L242T28-A30 PolarHBondContact O-N 3.39Å; T28-A30 WeakPolarHBondContact OG1-CB 3.48Å; T28-A30 PolarHBondContact OG1-N 2.91Å; T28-E204 WeakPolarHBondContact CB-OE2 3.49Å; T28-E204 HydrophobicContact CG2-CB 4.2Å; T28-E204 HydrophobicContact CG2-CG 3.99Å; T28-E204 PolarHBondContact N-OE2 3.45Å; T28-E204 PolarHBondContact OG1-OE2 3.04Å; T28-L206 HydrophobicContact CG2-CD1 4.15Å; T28-V237 HydrophobicContact CG2-CG1 4.36Å; T28-L242 HydrophobicContact CG2-CD1 3.77Å
29G46.4Very low56.2Low26 Ų2671 Ų7127%0.26840%0.4SS..THydrogen-bonded Turntrans-75.915.4167.700000113.5C31 V32 A236G29-C31 CarbonylContact O-C 3.56Å; G29-C31 PolarHBondContact O-N 2.83Å; G29-C31 VanDerWaalsContact O-N 3.12Å; G29-V32 WeakPolarHBondContact O-CG2 3.31Å; G29-A236 WeakPolarHBondContact CA-O 3.27Å; G29-A236 PolarHBondContact N-O 3.23Å
30A41.4Very low57.3Low4 Ų465.7 Ų65.73%0.03339%0.392CS..THydrogen-bonded Turntrans-56.5-24.2173.200000112.3T28 V32 L206 V235T28-A30 PolarHBondContact O-N 3.39Å; T28-A30 WeakPolarHBondContact OG1-CB 3.48Å; T28-A30 PolarHBondContact OG1-N 2.91Å; A30-V32 PolarHBondContact O-N 2.84Å; A30-L206 HydrophobicContact CB-CD2 4.31Å; A30-V235 VanDerWaalsContact CA-CG1 3.5Å; A30-V235 HydrophobicContact CB-CG1 3.91Å
31C49.6Very low58.7Low43 Ų4369.2 Ų69.229%0.29141%0.407SS..SBendtrans-80.289.5165.1-63.30000112.1L26 G29 C60L26-C31 WeakPolarHBondContact CD1-SG 3.3Å; G29-C31 CarbonylContact O-C 3.56Å; G29-C31 PolarHBondContact O-N 2.83Å; G29-C31 VanDerWaalsContact O-N 3.12Å; C31-C60 WeakPolarHBondContact CA-SG 3.49Å; C31-C60 HydrophobicContact CB-CB 3.62Å; C31-C60 WeakPolarHBondContact CB-SG 3.43Å; C31-C60 WeakPolarHBondContact SG-CA 3.46Å; C31-C60 WeakPolarHBondContact SG-CB 3.39Å; C31-C60 CovalentContact SG-SG 2.05Å; C31-C60 PolarHBondContact SG-SG 2.92Å
32V48.5Very low60.3Low37 Ų3763.8 Ų63.822%0.22438%0.382CS..PPolyproline II helixtrans-91.2131.4175.9-164.50000110G29 A30 T233 V235G29-V32 WeakPolarHBondContact O-CG2 3.31Å; A30-V32 PolarHBondContact O-N 2.84Å; V32-T233 HydrophobicContact CB-CG2 4.44Å; V32-T233 HydrophobicContact CG1-CG2 3.49Å; V32-T233 VanDerWaalsContact CG1-CG2 3.49Å; V32-V235 HydrophobicContact CG2-CG2 3.96Å
33A43.8Very low62.1Low77 Ų7762.6 Ų62.664%0.63637%0.374SS*.PPolyproline II helixtrans-55.8147.317100000110.5A35A33-A35 PolarHBondContact O-N 3.23Å
34P51.9Low64.1Low68 Ų6863.5 Ų63.544%0.44237%0.372SS..PPolyproline II helixtrans-55.2138.6-178.619.8-30.4000111.1Q36 L38P34-Q36 PolarHBondContact O-N 3.34Å; P34-L38 HydrophobicContact CG-CD2 4.32Å; P34-L38 HydrophobicContact CG-CG 4.25Å
35A48.8Very low66.2Low56 Ų5658.9 Ų58.946%0.46334%0.341SS..SBendtrans-61.8-15.4-177.600000113.6A33A33-A35 PolarHBondContact O-N 3.23Å
36Q59.5Low68Low115 Ų11557 Ų5754%0.53733%0.33SS..SBendtrans-131.8151.9175.6-65.8-172.5100111.1P34 L38P34-Q36 PolarHBondContact O-N 3.34Å; Q36-L38 PolarHBondContact O-N 3.47Å
37P68.8Low69.9Low117 Ų11762.6 Ų62.676%0.7635%0.353SS*.PPolyproline II helixtrans-58.8130.3173.6-19.130.7000110.7
38L79.3Confident72Confident45 Ų4560.3 Ų60.324%0.23634%0.343CS..PPolyproline II helixtrans-56.8130.7177.4-70.8176.4000110.9P34 Q36 R43 L46 L62P34-L38 HydrophobicContact CG-CD2 4.32Å; P34-L38 HydrophobicContact CG-CG 4.25Å; Q36-L38 PolarHBondContact O-N 3.47Å; L38-R43 HydrophobicContact CB-CG 3.73Å; L38-R43 VanDerWaalsContact O-CZ 3.22Å; L38-R43 PolarHBondContact O-NE 3.28Å; L38-R43 PolarHBondContact O-NH1 3.15Å; L38-L46 HydrophobicContact CD1-CD1 4.2Å; L38-L62 HydrophobicContact CD1-CD2 4.08Å; L38-L62 HydrophobicContact CD2-CB 4.31Å; L38-L62 HydrophobicContact CD2-CD2 3.63Å
39P85.2Confident74.2Confident59 Ų5959.9 Ų59.938%0.38334%0.341SS..PPolyproline II helixtrans-50146.9173-29.833.9000113.2F41 I42 R43P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 HydrophobicContact CB-CD1 3.59Å; P39-F41 HydrophobicContact CB-CE1 3.31Å; P39-F41 HydrophobicContact CB-CZ 4.17Å; P39-F41 HydrophobicContact CG-CE1 4.06Å; P39-F41 PolarHBondContact O-N 3.44Å; P39-I42 HydrophobicContact CB-CD1 4.23Å; P39-I42 HydrophobicContact CB-CG1 4.32Å; P39-I42 HydrophobicContact CG-CD1 4Å; P39-I42 PolarHBondContact O-N 2.97Å; P39-R43 PolarHBondContact O-N 3.46Å; P39-R43 VanDerWaalsContact O-N 3.1Å
40A89.2Confident76.6Confident54 Ų5460.5 Ų60.545%0.44634%0.336SS..Hα-helixtrans-57.9-44.2-174.500000112.6I42 R43 E44A40-I42 VanDerWaalsContact C-N 3.3Å; A40-I42 PolarHBondContact O-N 3.37Å; A40-R43 WeakPolarHBondContact O-CB 3.48Å; A40-R43 PolarHBondContact O-N 3.42Å; A40-R43 VanDerWaalsContact O-N 3.13Å; A40-E44 WeakPolarHBondContact O-CG 3.3Å; A40-E44 PolarHBondContact O-N 3.48Å
41F90.3Very high79.2Confident78 Ų7863.9 Ų63.934%0.34236%0.358SS..Hα-helixtrans-61.8-36.5-179.773.3-87.9000112.7P39 E44 A45 L90P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 HydrophobicContact CB-CD1 3.59Å; P39-F41 HydrophobicContact CB-CE1 3.31Å; P39-F41 HydrophobicContact CB-CZ 4.17Å; P39-F41 HydrophobicContact CG-CE1 4.06Å; P39-F41 PolarHBondContact O-N 3.44Å; F41-E44 PolarHBondContact O-N 3.38Å; F41-A45 WeakPolarHBondContact O-CB 3.25Å; F41-A45 PolarHBondContact O-N 3.09Å; F41-L90 HydrophobicContact CD2-CD2 3.61Å; F41-L90 HydrophobicContact CE2-CD1 4.26Å; F41-L90 HydrophobicContact CE2-CD2 3.92Å
42I92.3Very high81.2Confident9 Ų964.6 Ų64.65%0.04636%0.357CS..Hα-helixtrans-67.2-43.5174.5-65.4179.6000110.7P39 A40 E44 A45 L46 L62 V64 M86 L90P39-I42 HydrophobicContact CB-CD1 4.23Å; P39-I42 HydrophobicContact CB-CG1 4.32Å; P39-I42 HydrophobicContact CG-CD1 4Å; P39-I42 PolarHBondContact O-N 2.97Å; A40-I42 VanDerWaalsContact C-N 3.3Å; A40-I42 PolarHBondContact O-N 3.37Å; I42-E44 VanDerWaalsContact C-N 3.32Å; I42-E44 PolarHBondContact O-N 3.37Å; I42-A45 PolarHBondContact O-N 2.93Å; I42-L46 HydrophobicContact CG2-CD1 4.29Å; I42-L46 WeakPolarHBondContact O-CG 3.44Å; I42-L46 PolarHBondContact O-N 3.24Å; I42-L62 HydrophobicContact CG2-CD2 3.35Å; I42-V64 HydrophobicContact CD1-CB 3.92Å; I42-V64 HydrophobicContact CD1-CG1 3.63Å; I42-V64 HydrophobicContact CD1-CG2 4.24Å; I42-V64 HydrophobicContact CG1-CG1 4.34Å; I42-M86 HydrophobicContact CG2-SD 3.86Å; I42-L90 HydrophobicContact CG1-CD1 4.26Å
43R91.2Very high83.4Confident113 Ų11362.8 Ų62.843%0.42635%0.347SS..Hα-helixtrans-62.3-41.4176.7-64.5-174.5-58.4-128.76.7111.6L38 P39 A40 L46 K47L38-R43 HydrophobicContact CB-CG 3.73Å; L38-R43 VanDerWaalsContact O-CZ 3.22Å; L38-R43 PolarHBondContact O-NE 3.28Å; L38-R43 PolarHBondContact O-NH1 3.15Å; P39-R43 PolarHBondContact O-N 3.46Å; P39-R43 VanDerWaalsContact O-N 3.1Å; A40-R43 WeakPolarHBondContact O-CB 3.48Å; A40-R43 PolarHBondContact O-N 3.42Å; A40-R43 VanDerWaalsContact O-N 3.13Å; R43-L46 PolarHBondContact O-N 2.95Å; R43-K47 WeakPolarHBondContact O-CG 3.39Å; R43-K47 PolarHBondContact O-N 2.65Å; R43-K47 VanDerWaalsContact O-N 3.09Å
44E93.8Very high85.5Confident93 Ų9360.9 Ų60.944%0.43533%0.329SS..Hα-helixtrans-66.4-38.1175.7-65-45.2121.500111.9A40 F41 I42 K47 K48A40-E44 WeakPolarHBondContact O-CG 3.3Å; A40-E44 PolarHBondContact O-N 3.48Å; F41-E44 PolarHBondContact O-N 3.38Å; I42-E44 VanDerWaalsContact C-N 3.32Å; I42-E44 PolarHBondContact O-N 3.37Å; E44-K47 PolarHBondContact O-N 3.11Å; E44-K47 IonicContact OE1-NZ 3.52Å; E44-K47 PolarHBondContact OE1-NZ 3.34Å; E44-K47 IonicContact OE2-NZ 3.9Å; E44-K48 PolarHBondContact O-N 2.89Å
45A95.4Very high87.1Confident2 Ų263.4 Ų63.42%0.01734%0.338CS..Hα-helixtrans-62-45.4173.600000112.1F41 I42 K47 K48 M86 L89 L90F41-A45 WeakPolarHBondContact O-CB 3.25Å; F41-A45 PolarHBondContact O-N 3.09Å; I42-A45 PolarHBondContact O-N 2.93Å; A45-K47 VanDerWaalsContact C-N 3.32Å; A45-K47 PolarHBondContact O-N 3.13Å; A45-K48 PolarHBondContact O-N 2.99Å; A45-K48 VanDerWaalsContact O-N 3.15Å; A45-M86 HydrophobicContact CB-CG 3.69Å; A45-L89 HydrophobicContact CB-CD2 3.83Å; A45-L90 HydrophobicContact CB-CD2 4.12Å; A45-L90 HydrophobicContact CB-CG 4.5Å
46L93.7Very high88.6Confident25 Ų2564.1 Ų64.113%0.13133%0.331CS..Hα-helixtrans-61.2-37.3177.1-78.9171.6000113.1L38 I42 R43 K48 V49 L62 R82 M86L38-L46 HydrophobicContact CD1-CD1 4.2Å; I42-L46 HydrophobicContact CG2-CD1 4.29Å; I42-L46 WeakPolarHBondContact O-CG 3.44Å; I42-L46 PolarHBondContact O-N 3.24Å; R43-L46 PolarHBondContact O-N 2.95Å; L46-K48 PolarHBondContact O-N 3.09Å; L46-V49 WeakPolarHBondContact O-CB 3.49Å; L46-V49 PolarHBondContact O-N 3.32Å; L46-V49 VanDerWaalsContact O-N 3.14Å; L46-L62 HydrophobicContact CD1-CD2 4.02Å; L46-R82 HydrophobicContact CD2-CG 4.27Å; L46-M86 HydrophobicContact CD2-CB 4.04Å; L46-M86 HydrophobicContact CD2-CG 4.08Å; L46-M86 HydrophobicContact CD2-SD 3.96Å; L46-M86 HydrophobicContact CG-CB 4.47Å; L46-M86 HydrophobicContact CG-CG 4.02Å; L46-M86 HydrophobicContact CG-SD 3.92Å
47K95.3Very high89.3Confident148 Ų14859.6 Ų59.664%0.64331%0.309SS*.Hα-helixtrans-63.6-24.7177.4-75171.6-176.51730113.4R43 E44 A45 V49R43-K47 WeakPolarHBondContact O-CG 3.39Å; R43-K47 PolarHBondContact O-N 2.65Å; R43-K47 VanDerWaalsContact O-N 3.09Å; E44-K47 PolarHBondContact O-N 3.11Å; E44-K47 IonicContact OE1-NZ 3.52Å; E44-K47 PolarHBondContact OE1-NZ 3.34Å; E44-K47 IonicContact OE2-NZ 3.9Å; A45-K47 VanDerWaalsContact C-N 3.32Å; A45-K47 PolarHBondContact O-N 3.13Å; K47-V49 VanDerWaalsContact C-N 3.35Å
48K96.9Very high89.2Confident82 Ų8255.4 Ų55.436%0.35728%0.278SS..THydrogen-bonded Turntrans-85.7-7.4177.9-63.8-177.3172.2-163.20113.4E44 A45 L46 L89 E120 F121E44-K48 PolarHBondContact O-N 2.89Å; A45-K48 PolarHBondContact O-N 2.99Å; A45-K48 VanDerWaalsContact O-N 3.15Å; L46-K48 PolarHBondContact O-N 3.09Å; K48-L89 HydrophobicContact CD-CD2 3.87Å; K48-E120 HydrophobicContact CB-CG 4.14Å; K48-F121 HydrophobicContact CB-CE1 3.8Å; K48-F121 HydrophobicContact CD-CD1 4.34Å; K48-F121 HydrophobicContact CD-CE1 4.26Å
49V97.1Very high88.4Confident7 Ų754.3 Ų54.34%0.04228%0.278CS..SBendtrans-72.9132.7176.2-179.50000109.5L46 K47 V53 S54 R82 M86 H117L46-V49 WeakPolarHBondContact O-CB 3.49Å; L46-V49 PolarHBondContact O-N 3.32Å; L46-V49 VanDerWaalsContact O-N 3.14Å; K47-V49 VanDerWaalsContact C-N 3.35Å; V49-V53 HydrophobicContact CG1-CB 3.99Å; V49-V53 HydrophobicContact CG1-CG1 3.72Å; V49-S54 WeakPolarHBondContact CG1-OG 3.46Å; V49-R82 HydrophobicContact CG1-CG 4.45Å; V49-M86 HydrophobicContact CG2-CB 4.21Å; V49-H117 WeakPolarHBondContact CA-NE2 3.35Å
50H97.8Very high87.2Confident38 Ų3853 Ų5318%0.17627%0.27CS..  trans-54.5133.4-177.9-172.5-85.7000111.4E52 V53 S54 Y113 Y116 H117H50-E52 VanDerWaalsContact C-N 3.31Å; H50-E52 WeakPolarHBondContact ND1-CB 3.16Å; H50-E52 PolarHBondContact ND1-N 3.05Å; H50-E52 VanDerWaalsContact ND1-N 3.11Å; H50-E52 PolarHBondContact O-N 3.39Å; H50-V53 HydrophobicContact CB-CG2 4.34Å; H50-V53 WeakPolarHBondContact O-CB 3.47Å; H50-V53 PolarHBondContact O-N 2.97Å; H50-S54 PolarHBondContact O-N 2.9Å; H50-S54 VanDerWaalsContact O-N 3.14Å; H50-Y113 HydrophobicContact CB-CD1 4Å; H50-Y113 HydrophobicContact CB-CE1 4.47Å; H50-Y113 HydrophobicContact CB-CG 4.1Å; H50-Y113 AromaticContact CD2-CD1 3.58Å; H50-Y113 AromaticContact CD2-CE1 3.4Å; H50-Y113 VanDerWaalsContact CD2-CE1 3.4Å; H50-Y113 WeakPolarHBondContact CD2-CE1 3.49Å; H50-Y113 AromaticContact CE1-CD1 4Å; H50-Y113 AromaticContact CE1-CE1 3.19Å; H50-Y113 WeakPolarHBondContact CE1-CE1 3.47Å; H50-Y113 AromaticContact CE1-CZ 3.19Å; H50-Y113 PolarHBondContact CE1-OH 2.9Å; H50-Y113 AromaticContact CG-CD1 3.47Å; H50-Y113 VanDerWaalsContact CG-CD1 3.47Å; H50-Y113 AromaticContact CG-CE1 3.49Å; H50-Y113 VanDerWaalsContact CG-CE1 3.49Å; H50-Y113 AromaticContact CG-CG 3.94Å; H50-Y113 AromaticContact CG-CZ 3.95Å; H50-Y113 AromaticContact ND1-CD1 3.72Å; H50-Y113 AromaticContact ND1-CE1 3.33Å; H50-Y113 VanDerWaalsContact ND1-CE1 3.33Å; H50-Y113 WeakPolarHBondContact ND1-CE1 3.4Å; H50-Y113 AromaticContact ND1-CE2 3.69Å; H50-Y113 AromaticContact ND1-CZ 3.31Å; H50-Y113 VanDerWaalsContact ND1-CZ 3.31Å; H50-Y113 AromaticContact NE2-CD1 3.92Å; H50-Y113 AromaticContact NE2-CE1 3.22Å; H50-Y113 WeakPolarHBondContact NE2-CE1 3.32Å; H50-Y113 AromaticContact NE2-CZ 3.73Å; H50-Y116 HydrophobicContact CB-CD1 3.82Å; H50-Y116 HydrophobicContact CB-CE1 3.69Å; H50-Y116 AromaticContact CD2-CE1 3.85Å; H50-Y116 AromaticContact CD2-CE2 3.95Å; H50-Y116 AromaticContact CD2-CZ 3.82Å; H50-H117 PolarHBondContact N-NE2 3.32Å
51P94.2Very high86.1Confident76 Ų7651.5 Ų51.549%0.49426%0.26SS..Hα-helixtrans-56.4-37.1-175-28.835.1000115V53 S54 N55P51-V53 VanDerWaalsContact C-N 3.3Å; P51-V53 PolarHBondContact O-N 3.11Å; P51-S54 PolarHBondContact O-N 2.66Å; P51-N55 VanDerWaalsContact O-CB 3.26Å; P51-N55 WeakPolarHBondContact O-CB 3.34Å; P51-N55 PolarHBondContact O-N 3.21Å; P51-N55 PolarHBondContact O-ND2 2.98Å
52E93.3Very high85.6Confident57 Ų5749.1 Ų49.127%0.26625%0.251SS..Hα-helixtrans-63.5-36.1176.9-170.8179.2153.700112.2H50 K56 V109 K112 Y113H50-E52 VanDerWaalsContact C-N 3.31Å; H50-E52 WeakPolarHBondContact ND1-CB 3.16Å; H50-E52 PolarHBondContact ND1-N 3.05Å; H50-E52 VanDerWaalsContact ND1-N 3.11Å; H50-E52 PolarHBondContact O-N 3.39Å; E52-K56 PolarHBondContact O-N 2.78Å; E52-K56 IonicContact OE1-NZ 2.76Å; E52-V109 HydrophobicContact CG-CG1 4.21Å; E52-K112 IonicContact OE1-NZ 3.05Å; E52-K112 IonicContact OE2-NZ 2.66Å; E52-K112 PolarHBondContact OE2-NZ 2.95Å; E52-Y113 HydrophobicContact CB-CE2 3.78Å; E52-Y113 HydrophobicContact CG-CE2 4.13Å; E52-Y113 PolarHBondContact OE2-OH 3.42Å
53V93.6Very high85.4Confident0 Ų048.9 Ų48.90%025%0.249CC..Hα-helixtrans-65.8-51.5174.8168.40000109.5V49 H50 P51 N55 K56 S80 R82 Y85 V109 Y113V49-V53 HydrophobicContact CG1-CB 3.99Å; V49-V53 HydrophobicContact CG1-CG1 3.72Å; H50-V53 HydrophobicContact CB-CG2 4.34Å; H50-V53 WeakPolarHBondContact O-CB 3.47Å; H50-V53 PolarHBondContact O-N 2.97Å; P51-V53 VanDerWaalsContact C-N 3.3Å; P51-V53 PolarHBondContact O-N 3.11Å; V53-N55 VanDerWaalsContact C-N 3.33Å; V53-N55 PolarHBondContact O-N 3.32Å; V53-K56 PolarHBondContact O-N 2.77Å; V53-S80 VanDerWaalsContact CG1-O 3.29Å; V53-S80 WeakPolarHBondContact CG1-O 3.42Å; V53-S80 WeakPolarHBondContact O-CB 3.5Å; V53-S80 PolarHBondContact O-OG 3.04Å; V53-R82 HydrophobicContact CG1-CB 4.05Å; V53-Y85 HydrophobicContact CG1-CD2 4.06Å; V53-Y85 HydrophobicContact CG2-CD2 4.3Å; V53-Y85 HydrophobicContact CG2-CE2 4.07Å; V53-V109 HydrophobicContact CG2-CG1 4.25Å; V53-Y113 HydrophobicContact CG2-CD2 3.64Å; V53-Y113 HydrophobicContact CG2-CG 4.11Å
54S89.1Confident85.4Confident37 Ų3744.5 Ų44.526%0.25924%0.235SC..Hα-helixtrans-61.8-37.9-178.8-62.60000113V49 H50 P51 K56 Y57V49-S54 WeakPolarHBondContact CG1-OG 3.46Å; H50-S54 PolarHBondContact O-N 2.9Å; H50-S54 VanDerWaalsContact O-N 3.14Å; P51-S54 PolarHBondContact O-N 2.66Å; S54-K56 VanDerWaalsContact C-N 3.3Å; S54-K56 PolarHBondContact O-N 3.29Å; S54-Y57 VanDerWaalsContact O-CB 3.31Å; S54-Y57 WeakPolarHBondContact O-CB 3.32Å; S54-Y57 PolarHBondContact O-N 2.84Å
55N84.8Confident85.4Confident120 Ų12040.2 Ų40.264%0.64222%0.216SC*.Hα-helixtrans-72.7-21.3-178-71.4-16.9000113.6P51 V53P51-N55 VanDerWaalsContact O-CB 3.26Å; P51-N55 WeakPolarHBondContact O-CB 3.34Å; P51-N55 PolarHBondContact O-N 3.21Å; P51-N55 PolarHBondContact O-ND2 2.98Å; V53-N55 VanDerWaalsContact C-N 3.33Å; V53-N55 PolarHBondContact O-N 3.32Å
56K79.3Confident85.4Confident71 Ų7142.3 Ų42.331%0.30923%0.225SC..THydrogen-bonded Turntrans-97.212.4176.1-72.6-176.9173.8175.90113E52 V53 S54 Y58 Q106 V109E52-K56 PolarHBondContact O-N 2.78Å; E52-K56 IonicContact OE1-NZ 2.76Å; V53-K56 PolarHBondContact O-N 2.77Å; S54-K56 VanDerWaalsContact C-N 3.3Å; S54-K56 PolarHBondContact O-N 3.29Å; K56-Y58 WeakPolarHBondContact O-CD2 3.25Å; K56-Y58 WeakPolarHBondContact O-CE2 3.37Å; K56-Q106 PolarHBondContact O-OE1 2.76Å; K56-V109 HydrophobicContact CD-CB 4.38Å; K56-V109 HydrophobicContact CD-CG1 4.15Å; K56-V109 HydrophobicContact CD-CG2 3.61Å
57Y75Confident85.5Confident21 Ų2142.5 Ų42.58%0.08223%0.228CC..  trans-86.1127.5175.3-177.9-98.7000111S54 G59 G61 R82 D83 N154S54-Y57 VanDerWaalsContact O-CB 3.31Å; S54-Y57 WeakPolarHBondContact O-CB 3.32Å; S54-Y57 PolarHBondContact O-N 2.84Å; Y57-G59 VanDerWaalsContact CE1-N 3.3Å; Y57-G59 VanDerWaalsContact CE1-O 3.24Å; Y57-G59 WeakPolarHBondContact CE1-O 3.49Å; Y57-G61 PolarHBondContact OH-O 3.37Å; Y57-G61 VanDerWaalsContact OH-O 3.09Å; Y57-R82 HydrophobicContact CD2-CB 3.62Å; Y57-R82 HydrophobicContact CD2-CG 4.29Å; Y57-R82 HydrophobicContact CE2-CB 4.21Å; Y57-R82 HydrophobicContact CG-CB 4.06Å; Y57-R82 VanDerWaalsContact CG-CD 3.47Å; Y57-R82 HydrophobicContact CG-CG 4.4Å; Y57-D83 WeakPolarHBondContact CE2-OD2 3.44Å; Y57-D83 PolarHBondContact OH-OD2 3.45Å; Y57-N154 PolarHBondContact OH-ND2 3.47Å
58Y67Low85.6Confident28 Ų2836 Ų3611%0.1120%0.201CC..  trans-113.911.1-179.6-55.3-66.3000113.4L20 Q21 K56L20-Y58 HydrophobicContact CB-CD1 4.17Å; L20-Y58 HydrophobicContact CB-CE1 4.08Å; L20-Y58 HydrophobicContact CB-CE2 4.43Å; L20-Y58 HydrophobicContact CB-CG 4.43Å; L20-Y58 HydrophobicContact CD2-CD1 4.09Å; L20-Y58 PolarHBondContact O-OH 2.83Å; L20-Y58 VanDerWaalsContact O-OH 3.08Å; Q21-Y58 PolarHBondContact O-OH 3.39Å; K56-Y58 WeakPolarHBondContact O-CD2 3.25Å; K56-Y58 WeakPolarHBondContact O-CE2 3.37Å
59G61.6Low85.6Confident23 Ų2338.4 Ų38.424%0.23721%0.213CC..  trans-73.7150.8178.700000112.9Y57Y57-G59 VanDerWaalsContact CE1-N 3.3Å; Y57-G59 VanDerWaalsContact CE1-O 3.24Å; Y57-G59 WeakPolarHBondContact CE1-O 3.49Å
60C60.6Low85.6Confident30 Ų3039.9 Ų39.920%0.20323%0.23CC..SBendtrans-91.30.4-172.6-820000114.9C31C31-C60 WeakPolarHBondContact CA-SG 3.49Å; C31-C60 HydrophobicContact CB-CB 3.62Å; C31-C60 WeakPolarHBondContact CB-SG 3.43Å; C31-C60 WeakPolarHBondContact SG-CA 3.46Å; C31-C60 WeakPolarHBondContact SG-CB 3.39Å; C31-C60 CovalentContact SG-SG 2.05Å; C31-C60 PolarHBondContact SG-SG 2.92Å
61G66.6Low85.7Confident23 Ų2338.5 Ų38.524%0.23722%0.224CC..SBendtrans-167.7-162.3-170.100000112.7Y57 N154Y57-G61 PolarHBondContact OH-O 3.37Å; Y57-G61 VanDerWaalsContact OH-O 3.09Å; G61-N154 PolarHBondContact N-ND2 3.41Å; G61-N154 PolarHBondContact O-ND2 3.43Å
62L80.2Confident85.9Confident29 Ų2939.6 Ų39.615%0.15222%0.219CC..  trans-139.5128.2171.9-172.171.7000109L38 I42 L46 V64 D83 M86L38-L62 HydrophobicContact CD1-CD2 4.08Å; L38-L62 HydrophobicContact CD2-CB 4.31Å; L38-L62 HydrophobicContact CD2-CD2 3.63Å; I42-L62 HydrophobicContact CG2-CD2 3.35Å; L46-L62 HydrophobicContact CD1-CD2 4.02Å; L62-V64 HydrophobicContact CD1-CG2 4.22Å; L62-V64 HydrophobicContact CD2-CG2 3.8Å; L62-V64 HydrophobicContact CG-CG2 3.74Å; L62-D83 WeakPolarHBondContact CD1-OD1 3.06Å; L62-M86 HydrophobicContact CD1-CE 4.08Å; L62-M86 HydrophobicContact CD1-SD 3.81Å; L62-M86 HydrophobicContact CD2-SD 3.96Å; L62-M86 HydrophobicContact CG-SD 4.39Å
63V86.5Confident86.1Confident3 Ų336.9 Ų36.92%0.01821%0.206CC..  trans-11599.6-178.2176.50000107.5I152 N154 Y181V63-I152 HydrophobicContact CG1-CB 4.2Å; V63-I152 HydrophobicContact CG1-CG2 4.42Å; V63-N154 HydrophobicContact CB-CB 4.49Å; V63-N154 HydrophobicContact CG2-CB 3.8Å; V63-Y181 HydrophobicContact CG1-CD1 3.41Å; V63-Y181 VanDerWaalsContact CG1-CD1 3.41Å; V63-Y181 HydrophobicContact CG1-CE1 3.75Å; V63-Y181 WeakPolarHBondContact CG1-O 3.49Å
64V92.4Very high86.4Confident22 Ų2236.9 Ų36.913%0.13321%0.206CC..  trans-126.4104.2-1791790000108.2I42 L62 L68 M86 L87 L90I42-V64 HydrophobicContact CD1-CB 3.92Å; I42-V64 HydrophobicContact CD1-CG1 3.63Å; I42-V64 HydrophobicContact CD1-CG2 4.24Å; I42-V64 HydrophobicContact CG1-CG1 4.34Å; L62-V64 HydrophobicContact CD1-CG2 4.22Å; L62-V64 HydrophobicContact CD2-CG2 3.8Å; L62-V64 HydrophobicContact CG-CG2 3.74Å; V64-L68 HydrophobicContact CG1-CD1 3.91Å; V64-M86 HydrophobicContact CG2-CE 3.37Å; V64-M86 HydrophobicContact CG2-SD 3.91Å; V64-L87 HydrophobicContact CG1-CD2 4.48Å; V64-L87 HydrophobicContact CG2-CD2 4.49Å; V64-L90 HydrophobicContact CG1-CD1 3.96Å
65P93.6Very high86.8Confident3 Ų335.4 Ų35.42%0.01920%0.195CC..  trans-70.1162.8170.818.5-15.2000110.7L68 I150 I152 Y181P65-L68 HydrophobicContact CB-CD2 4.28Å; P65-L68 HydrophobicContact CG-CD2 3.85Å; P65-L68 WeakPolarHBondContact O-CD1 3.47Å; P65-L68 VanDerWaalsContact O-CD2 3.25Å; P65-L68 WeakPolarHBondContact O-CD2 3.42Å; P65-L68 VanDerWaalsContact O-CG 3.23Å; P65-L68 WeakPolarHBondContact O-CG 3.29Å; P65-I150 HydrophobicContact CG-CD1 4.22Å; P65-I150 HydrophobicContact CG-CG2 3.67Å; P65-I152 HydrophobicContact CG-CG2 3.88Å; P65-Y181 HydrophobicContact CB-CD1 4.04Å; P65-Y181 HydrophobicContact CB-CD2 3.97Å; P65-Y181 HydrophobicContact CB-CE1 4.47Å; P65-Y181 HydrophobicContact CB-CE2 4.38Å; P65-Y181 HydrophobicContact CB-CG 3.79Å; P65-Y181 HydrophobicContact CG-CD1 4.18Å; P65-Y181 HydrophobicContact CG-CG 4.16Å
66E94.8Very high87.4Confident46 Ų4629.7 Ų29.722%0.21516%0.164CC..SBendtrans-85.4171.4176.3-49.479.3-173.600111.4R257 I277 F284 R312E66-R257 IonicContact OE2-CZ 3.54Å; E66-R257 IonicContact OE2-NH1 2.7Å; E66-R257 PolarHBondContact OE2-NH1 3.43Å; E66-R257 IonicContact OE2-NH2 3.54Å; E66-R257 PolarHBondContact OE2-NH2 2.98Å; E66-I277 HydrophobicContact CB-CG2 3.79Å; E66-F284 HydrophobicContact CB-CD2 4.49Å; E66-F284 HydrophobicContact CB-CE2 3.87Å; E66-F284 HydrophobicContact CG-CD2 4.19Å; E66-F284 HydrophobicContact CG-CE2 3.71Å; E66-R312 PolarHBondContact O-NE 2.77Å; E66-R312 PolarHBondContact O-NH2 3.19Å
67S96.1Very high88.2Confident28 Ų2827.5 Ų27.520%0.19616%0.162CC..  trans56.261.4176.7-179.20000112.8R312S67-R312 WeakPolarHBondContact O-CD 3.48Å; S67-R312 PolarHBondContact O-NE 3.27Å
68L96.9Very high89.2Confident13 Ų1326.7 Ų26.77%0.06816%0.159CC..  trans-97.5-17.6-171.5-61.1-176.9000115V64 P65 G70 C71 I73 L87 L90 V91 I150V64-L68 HydrophobicContact CG1-CD1 3.91Å; P65-L68 HydrophobicContact CB-CD2 4.28Å; P65-L68 HydrophobicContact CG-CD2 3.85Å; P65-L68 WeakPolarHBondContact O-CD1 3.47Å; P65-L68 VanDerWaalsContact O-CD2 3.25Å; P65-L68 WeakPolarHBondContact O-CD2 3.42Å; P65-L68 VanDerWaalsContact O-CG 3.23Å; P65-L68 WeakPolarHBondContact O-CG 3.29Å; L68-G70 PolarHBondContact O-N 3.06Å; L68-C71 WeakPolarHBondContact O-CB 3.1Å; L68-C71 PolarHBondContact O-N 3.31Å; L68-C71 PolarHBondContact O-SG 3.14Å; L68-I73 HydrophobicContact CD2-CD1 3.98Å; L68-L87 HydrophobicContact CD1-CD2 3.77Å; L68-L90 HydrophobicContact CD1-CB 3.85Å; L68-L90 HydrophobicContact CD1-CD1 3.91Å; L68-V91 HydrophobicContact CB-CG1 4.22Å; L68-V91 WeakPolarHBondContact O-CA 3.33Å; L68-V91 WeakPolarHBondContact O-CG1 3.37Å; L68-I150 HydrophobicContact CD2-CD1 3.49Å; L68-I150 VanDerWaalsContact CD2-CD1 3.49Å
69E96.6Very high90.4Very high132 Ų13226 Ų2662%0.61716%0.161SC*.THydrogen-bonded Turntrans-57.4128.4-170.1-65.6-178.2-162.600111.6C71 T278E69-C71 PolarHBondContact O-N 3.04Å; E69-C71 VanDerWaalsContact O-N 3.13Å; E69-T278 PolarHBondContact OE1-OG1 3.47Å
70G98Very high92Very high38 Ų3824.9 Ų24.939%0.39215%0.149SC..THydrogen-bonded Turntrans70.9-1.7-178.700000115.8L68 V91L68-G70 PolarHBondContact O-N 3.06Å; G70-V91 PolarHBondContact N-O 3.29Å
71C98.6Very high93.7Very high9 Ų923.5 Ų23.56%0.06114%0.14CC..  trans-69.9150-176.6-70.60000112.8L68 E69 I73 G95 H96 D149 I150L68-C71 WeakPolarHBondContact O-CB 3.1Å; L68-C71 PolarHBondContact O-N 3.31Å; L68-C71 PolarHBondContact O-SG 3.14Å; E69-C71 PolarHBondContact O-N 3.04Å; E69-C71 VanDerWaalsContact O-N 3.13Å; C71-I73 HydrophobicContact CB-CG1 4.24Å; C71-G95 WeakPolarHBondContact O-CA 3.4Å; C71-H96 PolarHBondContact O-N 2.8Å; C71-D149 HydrophobicContact CB-CB 4.14Å; C71-I150 HydrophobicContact CB-CD1 4.2Å
72R98.8Very high95.1Very high99 Ų9924.8 Ų24.837%0.37414%0.138SC..EExtended strand (participates in β ladder)trans-94.2113.7163.9-65.7176.964.1167.2-4.3109.1H96 S147 F148 D149 I150R72-H96 CarbonylContact C-O 3.5Å; R72-H96 VanDerWaalsContact CA-O 3.29Å; R72-H96 WeakPolarHBondContact CA-O 3.38Å; R72-H96 HydrophobicContact CG-CB 4.43Å; R72-S147 WeakPolarHBondContact CD-O 3.31Å; R72-S147 PolarHBondContact NE-O 3.01Å; R72-S147 VanDerWaalsContact NE-O 3.15Å; R72-F148 HydrophobicContact CB-CD1 4.36Å; R72-D149 WeakPolarHBondContact CB-OD2 3.24Å; R72-D149 PolarHBondContact N-OD2 2.76Å; R72-D149 PolarHBondContact O-N 3.11Å; R72-I150 PolarHBondContact O-N 2.52Å
73I98.8Very high95.8Very high0 Ų023.7 Ų23.70%013%0.132CC..EExtended strand (participates in β ladder)trans-108.4138.9-177.2-52-174.3000110.5L68 C71 L87 V91 H96 V97 T98 I150 I152L68-I73 HydrophobicContact CD2-CD1 3.98Å; C71-I73 HydrophobicContact CB-CG1 4.24Å; I73-L87 HydrophobicContact CD1-CB 4.36Å; I73-L87 HydrophobicContact CD1-CD1 4.4Å; I73-L87 HydrophobicContact CD1-CD2 4.08Å; I73-L87 HydrophobicContact CG2-CD1 4.24Å; I73-V91 HydrophobicContact CD1-CG1 3.43Å; I73-V91 VanDerWaalsContact CD1-CG1 3.43Å; I73-V91 HydrophobicContact CG1-CG1 3.95Å; I73-H96 PolarHBondContact N-O 3.2Å; I73-V97 HydrophobicContact CB-CG1 4.28Å; I73-V97 HydrophobicContact CB-CG2 4.31Å; I73-V97 CarbonylContact O-C 3.51Å; I73-V97 WeakPolarHBondContact O-CA 3.41Å; I73-T98 PolarHBondContact O-N 2.91Å; I73-I150 CarbonylContact C-O 3.51Å; I73-I150 VanDerWaalsContact CA-O 3.26Å; I73-I150 WeakPolarHBondContact CA-O 3.34Å; I73-I150 HydrophobicContact CD1-CD1 4.4Å; I73-I150 HydrophobicContact CG1-CB 4.21Å; I73-I150 HydrophobicContact CG1-CD1 4.46Å; I73-I150 HydrophobicContact CG2-CB 4.45Å; I73-I152 HydrophobicContact CG2-CG1 4.26Å; I73-I152 HydrophobicContact CG2-CG2 4.35Å
74L98.9Very high96.3Very high0 Ų023.5 Ų23.50%013%0.131CC..EExtended strand (participates in β ladder)trans-109.3128.2164175.162.3000109.9L76 T98 I100 L138 L143 F148 I150 I151 I152L74-L76 HydrophobicContact CD2-CD2 3.75Å; L74-L76 HydrophobicContact CG-CD2 3.88Å; L74-T98 CarbonylContact C-O 3.23Å; L74-T98 VanDerWaalsContact CA-O 3.27Å; L74-T98 WeakPolarHBondContact CA-O 3.37Å; L74-T98 HydrophobicContact CD1-CG2 3.97Å; L74-T98 WeakPolarHBondContact CD1-O 3.14Å; L74-I100 HydrophobicContact CD1-CB 4.44Å; L74-I100 HydrophobicContact CD1-CG2 3.96Å; L74-L138 HydrophobicContact CD2-CD1 3.79Å; L74-L138 HydrophobicContact CD2-CD2 4.41Å; L74-L143 HydrophobicContact CD1-CD1 3.77Å; L74-L143 HydrophobicContact CD2-CD1 3.78Å; L74-L143 HydrophobicContact CG-CD1 4.47Å; L74-F148 HydrophobicContact CB-CD1 3.67Å; L74-F148 HydrophobicContact CB-CD2 4.1Å; L74-F148 HydrophobicContact CB-CE1 3.76Å; L74-F148 HydrophobicContact CB-CE2 4.18Å; L74-F148 HydrophobicContact CB-CG 3.83Å; L74-F148 HydrophobicContact CB-CZ 4.02Å; L74-F148 HydrophobicContact CD1-CZ 4.3Å; L74-F148 HydrophobicContact CD2-CD2 4.23Å; L74-F148 HydrophobicContact CD2-CE2 4.05Å; L74-F148 HydrophobicContact CD2-CZ 4.43Å; L74-F148 HydrophobicContact CG-CZ 4.49Å; L74-I150 PolarHBondContact N-O 3.01Å; L74-I151 HydrophobicContact CB-CG1 4.08Å; L74-I151 HydrophobicContact CB-CG2 4.44Å; L74-I151 HydrophobicContact CD2-CD1 4.15Å; L74-I151 HydrophobicContact CD2-CG1 4.35Å; L74-I151 HydrophobicContact CD2-CG2 4.46Å; L74-I151 HydrophobicContact CG-CG2 4.46Å; L74-I151 CarbonylContact O-C 3.58Å; L74-I151 VanDerWaalsContact O-CA 3.31Å; L74-I151 WeakPolarHBondContact O-CA 3.4Å; L74-I152 PolarHBondContact O-N 3.5Å
75D98.4Very high96.6Very high5 Ų522.5 Ų22.53%0.02713%0.125CC..EExtended strand (participates in β ladder)trans-105.3113.1174.2-177.718.4000109.8C78 C84 T98 I100 I152D75-C78 HydrophobicContact CB-CB 4.16Å; D75-C78 WeakPolarHBondContact OD2-CA 3.35Å; D75-C78 WeakPolarHBondContact OD2-CB 3.25Å; D75-C84 VanDerWaalsContact CB-SG 3.56Å; D75-C84 PolarHBondContact OD2-SG 3Å; D75-T98 PolarHBondContact N-O 3.13Å; D75-I100 PolarHBondContact O-N 3.49Å; D75-I152 HydrophobicContact CB-CD1 4.29Å; D75-I152 HydrophobicContact CB-CG1 4Å
76L97.8Very high96.8Very high1 Ų122.4 Ų22.41%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-83.1123.2179.8-56.1-178.3000109.8L74 I100 I135 L138 I151 I152 V156 V166L74-L76 HydrophobicContact CD2-CD2 3.75Å; L74-L76 HydrophobicContact CG-CD2 3.88Å; L76-I100 HydrophobicContact CD2-CG2 3.8Å; L76-I135 HydrophobicContact CB-CG2 3.91Å; L76-I135 HydrophobicContact CD2-CG2 4.23Å; L76-L138 HydrophobicContact CD2-CD1 4.22Å; L76-L138 HydrophobicContact CD2-CD2 3.9Å; L76-I151 HydrophobicContact CD1-CG2 3.73Å; L76-I151 HydrophobicContact CD2-CG2 4.14Å; L76-I151 HydrophobicContact CG-CG2 3.68Å; L76-I152 PolarHBondContact N-O 2.56Å; L76-V156 HydrophobicContact CB-CG2 4.26Å; L76-V156 WeakPolarHBondContact O-CG2 3.38Å; L76-V166 HydrophobicContact CD1-CG1 4.24Å
77G95Very high96.9Very high24 Ų2420.2 Ų20.225%0.24711%0.113CC..THydrogen-bonded Turntrans69.650.6-177.100000112G79 I100G77-G79 PolarHBondContact O-N 3.14Å; G77-I100 VanDerWaalsContact CA-O 3.23Å; G77-I100 WeakPolarHBondContact CA-O 3.3Å; G77-I100 PolarHBondContact N-O 3.3Å
78C95.1Very high97Very high4 Ų419 Ų193%0.02711%0.105CC..  trans-69.5-12.8-169.468.20000114.8D75 S80 G81 G99 I100D75-C78 HydrophobicContact CB-CB 4.16Å; D75-C78 WeakPolarHBondContact OD2-CA 3.35Å; D75-C78 WeakPolarHBondContact OD2-CB 3.25Å; C78-S80 PolarHBondContact O-N 3.27Å; C78-G81 WeakPolarHBondContact O-CA 3.39Å; C78-G81 PolarHBondContact O-N 3.26Å; C78-G99 VanDerWaalsContact SG-C 3.5Å; C78-G99 VanDerWaalsContact SG-CA 3.56Å; C78-I100 PolarHBondContact N-O 2.8Å
79G93.9Very high97.1Very high14 Ų1420.3 Ų20.314%0.14411%0.112CC..THydrogen-bonded Turntrans52.8-129.5-176.900000112.3G77 G81 D101G77-G79 PolarHBondContact O-N 3.14Å; G79-G81 PolarHBondContact O-N 2.96Å; G79-D101 WeakPolarHBondContact CA-OD2 3.29Å; G79-D101 PolarHBondContact N-OD2 3.1Å
80S94.7Very high97.1Very high0 Ų015.4 Ų15.40%09%0.09CC..THydrogen-bonded Turntrans-71.2-4.4178.361.30000114V53 C78 A110V53-S80 VanDerWaalsContact CG1-O 3.29Å; V53-S80 WeakPolarHBondContact CG1-O 3.42Å; V53-S80 WeakPolarHBondContact O-CB 3.5Å; V53-S80 PolarHBondContact O-OG 3.04Å; C78-S80 PolarHBondContact O-N 3.27Å; S80-A110 WeakPolarHBondContact O-CA 3.23Å; S80-A110 VanDerWaalsContact O-CB 3.27Å; S80-A110 WeakPolarHBondContact O-CB 3.16Å
81G95.8Very high97.1Very high0 Ų013.7 Ų13.70%07%0.071CC..SBendtrans89.917.1175.700000115.5C78 G79 D83 C84 Y85C78-G81 WeakPolarHBondContact O-CA 3.39Å; C78-G81 PolarHBondContact O-N 3.26Å; G79-G81 PolarHBondContact O-N 2.96Å; G81-D83 PolarHBondContact O-N 3.25Å; G81-C84 WeakPolarHBondContact O-CB 3.45Å; G81-C84 PolarHBondContact O-N 2.82Å; G81-Y85 WeakPolarHBondContact O-CD2 3.21Å; G81-Y85 PolarHBondContact O-N 3.49Å
82R95.5Very high97.1Very high51 Ų5114.3 Ų14.319%0.1928%0.079CC..Hα-helixtrans-52.7-53.6179.7178.7-165163.3-162.1-8.4112L46 V49 V53 Y57 Y85 M86L46-R82 HydrophobicContact CD2-CG 4.27Å; V49-R82 HydrophobicContact CG1-CG 4.45Å; V53-R82 HydrophobicContact CG1-CB 4.05Å; Y57-R82 HydrophobicContact CD2-CB 3.62Å; Y57-R82 HydrophobicContact CD2-CG 4.29Å; Y57-R82 HydrophobicContact CE2-CB 4.21Å; Y57-R82 HydrophobicContact CG-CB 4.06Å; Y57-R82 VanDerWaalsContact CG-CD 3.47Å; Y57-R82 HydrophobicContact CG-CG 4.4Å; R82-Y85 PolarHBondContact O-N 3.42Å; R82-M86 PolarHBondContact O-N 2.99Å; R82-M86 VanDerWaalsContact O-N 3.1Å
83D94.9Very high97Very high5 Ų514 Ų143%0.0278%0.083CC..Hα-helixtrans-70.3-38.7-177-63.6-15.1000110Y57 L62 G81 Y85 M86 L87Y57-D83 WeakPolarHBondContact CE2-OD2 3.44Å; Y57-D83 PolarHBondContact OH-OD2 3.45Å; L62-D83 WeakPolarHBondContact CD1-OD1 3.06Å; G81-D83 PolarHBondContact O-N 3.25Å; D83-Y85 PolarHBondContact O-N 3.24Å; D83-M86 PolarHBondContact O-N 3.21Å; D83-L87 WeakPolarHBondContact O-CB 3.44Å; D83-L87 VanDerWaalsContact O-CG 3.24Å; D83-L87 WeakPolarHBondContact O-CG 3.46Å; D83-L87 PolarHBondContact O-N 3.33Å
84C97.9Very high97Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-53-47.3171.1-73.10000113.5D75 G81 L87 S88 V97 G99 F130D75-C84 VanDerWaalsContact CB-SG 3.56Å; D75-C84 PolarHBondContact OD2-SG 3Å; G81-C84 WeakPolarHBondContact O-CB 3.45Å; G81-C84 PolarHBondContact O-N 2.82Å; C84-L87 PolarHBondContact O-N 2.83Å; C84-S88 VanDerWaalsContact O-CB 3.22Å; C84-S88 WeakPolarHBondContact O-CB 3.45Å; C84-S88 PolarHBondContact O-N 2.96Å; C84-V97 HydrophobicContact CB-CG1 4.03Å; C84-G99 VanDerWaalsContact SG-CA 3.59Å; C84-F130 HydrophobicContact CB-CE1 3.84Å; C84-F130 HydrophobicContact CB-CZ 4.03Å
85Y98.3Very high97Very high1 Ų123.8 Ų23.80%0.00413%0.126CC..Hα-helixtrans-72.6-39-178.4-77.2-58.8000113.3V53 G81 R82 D83 S88 L89 A110 Y113 M114 H117 F121 V128 F130V53-Y85 HydrophobicContact CG1-CD2 4.06Å; V53-Y85 HydrophobicContact CG2-CD2 4.3Å; V53-Y85 HydrophobicContact CG2-CE2 4.07Å; G81-Y85 WeakPolarHBondContact O-CD2 3.21Å; G81-Y85 PolarHBondContact O-N 3.49Å; R82-Y85 PolarHBondContact O-N 3.42Å; D83-Y85 PolarHBondContact O-N 3.24Å; Y85-S88 WeakPolarHBondContact O-CB 3.47Å; Y85-S88 PolarHBondContact O-N 3.38Å; Y85-L89 PolarHBondContact O-N 2.96Å; Y85-A110 PolarHBondContact OH-O 3.44Å; Y85-Y113 PolarHBondContact OH-O 3.25Å; Y85-M114 WeakPolarHBondContact OH-CA 3.49Å; Y85-M114 VanDerWaalsContact OH-CG 3.25Å; Y85-M114 WeakPolarHBondContact OH-CG 3.4Å; Y85-M114 PolarHBondContact OH-N 3.25Å; Y85-H117 HydrophobicContact CD1-CB 3.48Å; Y85-H117 VanDerWaalsContact CD1-CB 3.48Å; Y85-H117 AromaticContact CD1-CD2 3.79Å; Y85-H117 AromaticContact CD1-CE1 3.77Å; Y85-H117 AromaticContact CD1-CG 3.23Å; Y85-H117 AromaticContact CD1-ND1 3.25Å; Y85-H117 VanDerWaalsContact CD1-ND1 3.25Å; Y85-H117 WeakPolarHBondContact CD1-ND1 3.39Å; Y85-H117 AromaticContact CD2-CE1 3.39Å; Y85-H117 WeakPolarHBondContact CD2-CE1 3.46Å; Y85-H117 AromaticContact CD2-ND1 3.7Å; Y85-H117 AromaticContact CD2-NE2 3.87Å; Y85-H117 HydrophobicContact CE1-CB 3.67Å; Y85-H117 AromaticContact CE1-CE1 3.88Å; Y85-H117 AromaticContact CE1-CG 3.52Å; Y85-H117 AromaticContact CE1-ND1 3.14Å; Y85-H117 WeakPolarHBondContact CE1-ND1 3.41Å; Y85-H117 AromaticContact CE2-CE1 3.54Å; Y85-H117 AromaticContact CE2-ND1 3.62Å; Y85-H117 HydrophobicContact CG-CB 4.34Å; Y85-H117 AromaticContact CG-CD2 3.75Å; Y85-H117 AromaticContact CG-CE1 3.51Å; Y85-H117 AromaticContact CG-CG 3.65Å; Y85-H117 AromaticContact CG-ND1 3.52Å; Y85-H117 AromaticContact CG-NE2 3.68Å; Y85-H117 AromaticContact CZ-CE1 3.77Å; Y85-H117 AromaticContact CZ-ND1 3.33Å; Y85-H117 VanDerWaalsContact CZ-ND1 3.33Å; Y85-F121 WeakPolarHBondContact O-CE2 3.44Å; Y85-F121 WeakPolarHBondContact O-CZ 3.48Å; Y85-V128 HydrophobicContact CD1-CG1 4.21Å; Y85-V128 HydrophobicContact CD1-CG2 4.38Å; Y85-V128 HydrophobicContact CE1-CG1 4.29Å; Y85-V128 HydrophobicContact CE1-CG2 3.66Å; Y85-F130 HydrophobicContact CE1-CE2 4.47Å; Y85-F130 HydrophobicContact CE2-CE2 4.23Å; Y85-F130 AromaticContact CE2-CZ 3.91Å; Y85-F130 HydrophobicContact CE2-CZ 3.91Å; Y85-F130 AromaticContact CZ-CE2 3.83Å; Y85-F130 AromaticContact CZ-CZ 3.9Å; Y85-F130 WeakPolarHBondContact OH-CE2 3.42Å
86M97.5Very high97Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-62.3-46.6172.5172.4-141.662.900110.3I42 A45 L46 V49 L62 V64 R82 D83 S88 L89 L90I42-M86 HydrophobicContact CG2-SD 3.86Å; A45-M86 HydrophobicContact CB-CG 3.69Å; L46-M86 HydrophobicContact CD2-CB 4.04Å; L46-M86 HydrophobicContact CD2-CG 4.08Å; L46-M86 HydrophobicContact CD2-SD 3.96Å; L46-M86 HydrophobicContact CG-CB 4.47Å; L46-M86 HydrophobicContact CG-CG 4.02Å; L46-M86 HydrophobicContact CG-SD 3.92Å; V49-M86 HydrophobicContact CG2-CB 4.21Å; L62-M86 HydrophobicContact CD1-CE 4.08Å; L62-M86 HydrophobicContact CD1-SD 3.81Å; L62-M86 HydrophobicContact CD2-SD 3.96Å; L62-M86 HydrophobicContact CG-SD 4.39Å; V64-M86 HydrophobicContact CG2-CE 3.37Å; V64-M86 HydrophobicContact CG2-SD 3.91Å; R82-M86 PolarHBondContact O-N 2.99Å; R82-M86 VanDerWaalsContact O-N 3.1Å; D83-M86 PolarHBondContact O-N 3.21Å; M86-S88 VanDerWaalsContact C-N 3.32Å; M86-S88 PolarHBondContact O-N 3.16Å; M86-L89 WeakPolarHBondContact O-CB 3.37Å; M86-L89 PolarHBondContact O-N 3.08Å; M86-L90 HydrophobicContact CE-CD1 4.39Å; M86-L90 HydrophobicContact CG-CD1 4.48Å; M86-L90 WeakPolarHBondContact O-CG 3.25Å; M86-L90 PolarHBondContact O-N 3.41Å
87L98Very high97Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-63.7-36.6177.1-70.9166.6000112.3V64 L68 I73 D83 C84 L89 L90 V91 V97 I152V64-L87 HydrophobicContact CG1-CD2 4.48Å; V64-L87 HydrophobicContact CG2-CD2 4.49Å; L68-L87 HydrophobicContact CD1-CD2 3.77Å; I73-L87 HydrophobicContact CD1-CB 4.36Å; I73-L87 HydrophobicContact CD1-CD1 4.4Å; I73-L87 HydrophobicContact CD1-CD2 4.08Å; I73-L87 HydrophobicContact CG2-CD1 4.24Å; D83-L87 WeakPolarHBondContact O-CB 3.44Å; D83-L87 VanDerWaalsContact O-CG 3.24Å; D83-L87 WeakPolarHBondContact O-CG 3.46Å; D83-L87 PolarHBondContact O-N 3.33Å; C84-L87 PolarHBondContact O-N 2.83Å; L87-L89 PolarHBondContact O-N 2.89Å; L87-L90 HydrophobicContact CD2-CD1 4.47Å; L87-L90 CarbonylContact O-C 3.42Å; L87-L90 PolarHBondContact O-N 3.14Å; L87-V91 WeakPolarHBondContact O-CG1 3.06Å; L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.5Å; L87-V97 HydrophobicContact CB-CG1 4.44Å; L87-V97 HydrophobicContact CB-CG2 3.84Å; L87-I152 HydrophobicContact CD1-CD1 3.41Å; L87-I152 VanDerWaalsContact CD1-CD1 3.41Å; L87-I152 HydrophobicContact CD1-CG1 4.24Å
88S98.4Very high97.2Very high2 Ų225.6 Ų25.61%0.01413%0.128CC..Hα-helixtrans-56-34.8175.4150.30000112.8C84 Y85 M86 Y123 N127 V128C84-S88 VanDerWaalsContact O-CB 3.22Å; C84-S88 WeakPolarHBondContact O-CB 3.45Å; C84-S88 PolarHBondContact O-N 2.96Å; Y85-S88 WeakPolarHBondContact O-CB 3.47Å; Y85-S88 PolarHBondContact O-N 3.38Å; M86-S88 VanDerWaalsContact C-N 3.32Å; M86-S88 PolarHBondContact O-N 3.16Å; S88-Y123 WeakPolarHBondContact O-CE2 3.5Å; S88-Y123 PolarHBondContact O-OH 3.17Å; S88-N127 WeakPolarHBondContact CB-OD1 3.29Å; S88-N127 PolarHBondContact O-ND2 2.94Å; S88-N127 PolarHBondContact OG-OD1 3.09Å; S88-V128 VanDerWaalsContact CB-CG1 3.4Å
89L98.1Very high97.4Very high41 Ų4125.4 Ų25.422%0.21513%0.127CC..Hα-helixtrans-72-44.4171.2-176.560000111.7A45 K48 Y85 M86 L87 G92 F121 Y123A45-L89 HydrophobicContact CB-CD2 3.83Å; K48-L89 HydrophobicContact CD-CD2 3.87Å; Y85-L89 PolarHBondContact O-N 2.96Å; M86-L89 WeakPolarHBondContact O-CB 3.37Å; M86-L89 PolarHBondContact O-N 3.08Å; L87-L89 PolarHBondContact O-N 2.89Å; L89-G92 PolarHBondContact O-N 3.35Å; L89-F121 HydrophobicContact CB-CD1 4.36Å; L89-F121 HydrophobicContact CB-CD2 4.1Å; L89-F121 HydrophobicContact CB-CE1 4.22Å; L89-F121 HydrophobicContact CB-CE2 3.93Å; L89-F121 HydrophobicContact CB-CG 4.32Å; L89-F121 HydrophobicContact CB-CZ 4Å; L89-F121 HydrophobicContact CD1-CB 3.95Å; L89-F121 HydrophobicContact CD1-CD1 3.86Å; L89-F121 HydrophobicContact CD1-CD2 4.31Å; L89-F121 HydrophobicContact CD1-CE1 4.47Å; L89-F121 HydrophobicContact CD1-CG 3.78Å; L89-F121 HydrophobicContact CD2-CD1 4.21Å; L89-F121 HydrophobicContact CD2-CE1 4.13Å; L89-F121 HydrophobicContact CG-CD1 4.37Å; L89-Y123 PolarHBondContact O-OH 3.27Å
90L97.4Very high97.6Very high29 Ų2924.8 Ų24.815%0.15212%0.12CC..Hα-helixtrans-69.1-34.8-176.1-60.1-177.1000113.8F41 I42 A45 V64 L68 M86 L87 G92F41-L90 HydrophobicContact CD2-CD2 3.61Å; F41-L90 HydrophobicContact CE2-CD1 4.26Å; F41-L90 HydrophobicContact CE2-CD2 3.92Å; I42-L90 HydrophobicContact CG1-CD1 4.26Å; A45-L90 HydrophobicContact CB-CD2 4.12Å; A45-L90 HydrophobicContact CB-CG 4.5Å; V64-L90 HydrophobicContact CG1-CD1 3.96Å; L68-L90 HydrophobicContact CD1-CB 3.85Å; L68-L90 HydrophobicContact CD1-CD1 3.91Å; M86-L90 HydrophobicContact CE-CD1 4.39Å; M86-L90 HydrophobicContact CG-CD1 4.48Å; M86-L90 WeakPolarHBondContact O-CG 3.25Å; M86-L90 PolarHBondContact O-N 3.41Å; L87-L90 HydrophobicContact CD2-CD1 4.47Å; L87-L90 CarbonylContact O-C 3.42Å; L87-L90 PolarHBondContact O-N 3.14Å; L90-G92 PolarHBondContact O-N 2.84Å
91V98.1Very high97.7Very high2 Ų225.6 Ų25.61%0.01213%0.125CC..THydrogen-bonded Turntrans-75.8-14176.1-56.60000112.5L68 G70 I73 L87 G95 V97L68-V91 HydrophobicContact CB-CG1 4.22Å; L68-V91 WeakPolarHBondContact O-CA 3.33Å; L68-V91 WeakPolarHBondContact O-CG1 3.37Å; G70-V91 PolarHBondContact N-O 3.29Å; I73-V91 HydrophobicContact CD1-CG1 3.43Å; I73-V91 VanDerWaalsContact CD1-CG1 3.43Å; I73-V91 HydrophobicContact CG1-CG1 3.95Å; L87-V91 WeakPolarHBondContact O-CG1 3.06Å; L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.5Å; V91-G95 PolarHBondContact O-N 3.02Å; V91-V97 HydrophobicContact CG1-CG2 4.35Å; V91-V97 HydrophobicContact CG2-CG2 4.06Å
92G97.8Very high97.7Very high22 Ų2227.3 Ų27.323%0.22713%0.133CC..THydrogen-bonded Turntrans72.9174.2-17800000114.4L89 L90 K94 G95 Y123 N127L89-G92 PolarHBondContact O-N 3.35Å; L90-G92 PolarHBondContact O-N 2.84Å; G92-K94 PolarHBondContact O-N 3.04Å; G92-K94 VanDerWaalsContact O-N 3.08Å; G92-G95 PolarHBondContact O-N 3.37Å; G92-Y123 VanDerWaalsContact CA-OH 3.29Å; G92-Y123 WeakPolarHBondContact CA-OH 3.33Å; G92-N127 PolarHBondContact O-ND2 2.89Å
93E97.4Very high97.5Very high94 Ų9425.2 Ų25.244%0.43913%0.126SC..THydrogen-bonded Turntrans-60.6-22.4-177-166.6177-156.900113.7Y123 K124E93-Y123 HydrophobicContact CB-CD1 3.71Å; E93-Y123 HydrophobicContact CB-CE1 3.85Å; E93-Y123 HydrophobicContact CB-CG 4.2Å; E93-Y123 HydrophobicContact CG-CD1 3.96Å; E93-Y123 HydrophobicContact CG-CG 4.07Å; E93-K124 WeakPolarHBondContact OE1-CG 3.22Å; E93-K124 PolarHBondContact OE1-N 3.23Å
94K97.6Very high97.4Very high201 Ų20128 Ų2887%0.87414%0.139SC*.THydrogen-bonded Turntrans-86.2-22.4177.7-66.1-177.7-177.8175.10113.6G92G92-K94 PolarHBondContact O-N 3.04Å; G92-K94 VanDerWaalsContact O-N 3.08Å
95G98.4Very high97.1Very high4 Ų432 Ų324%0.04116%0.163CC..SBendtrans-82.7175.9174.700000111.6C71 V91 G92 N127C71-G95 WeakPolarHBondContact O-CA 3.4Å; V91-G95 PolarHBondContact O-N 3.02Å; G92-G95 PolarHBondContact O-N 3.37Å; G95-N127 WeakPolarHBondContact O-CB 3.13Å; G95-N127 PolarHBondContact O-ND2 3.25Å
96H98.8Very high96.8Very high58 Ų5832.6 Ų32.627%0.26917%0.166SC..EExtended strand (participates in β ladder)trans-149.4141.3179.4-169.494.4000111C71 R72 I73 N127 S129C71-H96 PolarHBondContact O-N 2.8Å; R72-H96 CarbonylContact C-O 3.5Å; R72-H96 VanDerWaalsContact CA-O 3.29Å; R72-H96 WeakPolarHBondContact CA-O 3.38Å; R72-H96 HydrophobicContact CG-CB 4.43Å; I73-H96 PolarHBondContact N-O 3.2Å; H96-N127 CarbonylContact C-O 3.59Å; H96-N127 WeakPolarHBondContact CA-O 3.49Å; H96-N127 PolarHBondContact ND1-O 3.33Å; H96-S129 PolarHBondContact NE2-OG 2.76Å
97V98.9Very high96.8Very high0 Ų032.6 Ų32.60%017%0.166CC..EExtended strand (participates in β ladder)trans-120.6123176.5-171.10000110.8I73 C84 L87 V91 N127 V128 S129I73-V97 HydrophobicContact CB-CG1 4.28Å; I73-V97 HydrophobicContact CB-CG2 4.31Å; I73-V97 CarbonylContact O-C 3.51Å; I73-V97 WeakPolarHBondContact O-CA 3.41Å; C84-V97 HydrophobicContact CB-CG1 4.03Å; L87-V97 HydrophobicContact CB-CG1 4.44Å; L87-V97 HydrophobicContact CB-CG2 3.84Å; V91-V97 HydrophobicContact CG1-CG2 4.35Å; V91-V97 HydrophobicContact CG2-CG2 4.06Å; V97-N127 PolarHBondContact N-O 3.49Å; V97-V128 HydrophobicContact CB-CG1 4.33Å; V97-V128 CarbonylContact O-C 3.59Å; V97-V128 WeakPolarHBondContact O-CA 3.49Å; V97-S129 PolarHBondContact O-N 3.03Å
98T98.9Very high96.7Very high10 Ų1038 Ų386%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-103.8125.3172-59.90000108.8I73 L74 D75 S129 V131 L143 F148I73-T98 PolarHBondContact O-N 2.91Å; L74-T98 CarbonylContact C-O 3.23Å; L74-T98 VanDerWaalsContact CA-O 3.27Å; L74-T98 WeakPolarHBondContact CA-O 3.37Å; L74-T98 HydrophobicContact CD1-CG2 3.97Å; L74-T98 WeakPolarHBondContact CD1-O 3.14Å; D75-T98 PolarHBondContact N-O 3.13Å; T98-S129 CarbonylContact C-O 3.58Å; T98-S129 VanDerWaalsContact CA-O 3.28Å; T98-S129 WeakPolarHBondContact CA-O 3.41Å; T98-S129 PolarHBondContact OG1-OG 3.14Å; T98-S129 VanDerWaalsContact OG1-OG 3.07Å; T98-V131 HydrophobicContact CG2-CG2 4.02Å; T98-L143 HydrophobicContact CG2-CD2 3.98Å; T98-F148 HydrophobicContact CG2-CZ 4.43Å
99G98.6Very high96.6Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-101.5138.7168.100000110.8C78 C84 S129 F130 V131C78-G99 VanDerWaalsContact SG-C 3.5Å; C78-G99 VanDerWaalsContact SG-CA 3.56Å; C84-G99 VanDerWaalsContact SG-CA 3.59Å; G99-S129 PolarHBondContact N-O 2.74Å; G99-F130 CarbonylContact O-C 3.59Å; G99-F130 WeakPolarHBondContact O-CA 3.5Å; G99-V131 PolarHBondContact O-N 3.36Å
100I98.6Very high96.5Very high0 Ų036.2 Ų36.20%018%0.182CC..EExtended strand (participates in β ladder)trans-119134.3169.5-175173.5000110.5L74 D75 L76 G77 C78 V131 I135 L138 A141 L143L74-I100 HydrophobicContact CD1-CB 4.44Å; L74-I100 HydrophobicContact CD1-CG2 3.96Å; D75-I100 PolarHBondContact O-N 3.49Å; L76-I100 HydrophobicContact CD2-CG2 3.8Å; G77-I100 VanDerWaalsContact CA-O 3.23Å; G77-I100 WeakPolarHBondContact CA-O 3.3Å; G77-I100 PolarHBondContact N-O 3.3Å; C78-I100 PolarHBondContact N-O 2.8Å; I100-V131 WeakPolarHBondContact CA-O 3.49Å; I100-V131 HydrophobicContact CG1-CB 4.46Å; I100-V131 HydrophobicContact CG1-CG1 4.47Å; I100-I135 HydrophobicContact CG2-CG2 4.15Å; I100-L138 HydrophobicContact CD1-CD2 3.7Å; I100-L138 HydrophobicContact CG2-CD2 4.16Å; I100-A141 HydrophobicContact CD1-CB 3.91Å; I100-L143 HydrophobicContact CD1-CD1 4.4Å
101D97.1Very high96.6Very high17 Ų1739 Ų399%0.09119%0.19CC..EExtended strand (participates in β ladder)trans-145152.9173.3-156.4-76.1000110.9G79 T103 L107 V131 H132 G133G79-D101 WeakPolarHBondContact CA-OD2 3.29Å; G79-D101 PolarHBondContact N-OD2 3.1Å; D101-T103 VanDerWaalsContact C-N 3.35Å; D101-T103 WeakPolarHBondContact OD1-CA 3.21Å; D101-T103 WeakPolarHBondContact OD1-CB 3.43Å; D101-T103 PolarHBondContact OD1-N 3.03Å; D101-T103 PolarHBondContact OD1-OG1 3.47Å; D101-L107 HydrophobicContact CB-CD1 4.37Å; D101-L107 HydrophobicContact CB-CD2 3.67Å; D101-L107 HydrophobicContact CB-CG 4.01Å; D101-V131 PolarHBondContact N-O 3.34Å; D101-V131 VanDerWaalsContact N-O 3.16Å; D101-H132 WeakPolarHBondContact O-CA 3.4Å; D101-H132 PolarHBondContact O-CD2 3.36Å; D101-H132 VanDerWaalsContact O-CD2 3.3Å; D101-G133 CarbonylContact C-O 3.52Å; D101-G133 VanDerWaalsContact C-O 3.23Å; D101-G133 PolarHBondContact O-N 2.82Å
102M94.7Very high96.6Very high36 Ų3645 Ų4518%0.17722%0.216CC..SBendtrans-85.4-9.9176.463.4173.6163.700113.2V12 H132 G133 Y134V12-M102 HydrophobicContact CB-CE 3.87Å; V12-M102 HydrophobicContact CG1-CE 3.33Å; M102-H132 PolarHBondContact O-NE2 3.41Å; M102-G133 WeakPolarHBondContact CA-O 3.28Å; M102-G133 PolarHBondContact N-O 3.35Å; M102-Y134 HydrophobicContact CB-CD1 4.09Å; M102-Y134 HydrophobicContact CB-CE1 4.06Å; M102-Y134 HydrophobicContact SD-CD1 4.37Å; M102-Y134 HydrophobicContact SD-CE1 4.14Å
103T92.7Very high96.6Very high7 Ų745.2 Ų45.24%0.04321%0.21CC..  trans-104.4100.1-172-44.20000111.2D101 V105 Q106 L107D101-T103 VanDerWaalsContact C-N 3.35Å; D101-T103 WeakPolarHBondContact OD1-CA 3.21Å; D101-T103 WeakPolarHBondContact OD1-CB 3.43Å; D101-T103 PolarHBondContact OD1-N 3.03Å; D101-T103 PolarHBondContact OD1-OG1 3.47Å; T103-V105 VanDerWaalsContact C-N 3.27Å; T103-V105 PolarHBondContact O-N 2.97Å; T103-Q106 HydrophobicContact CG2-CB 4.45Å; T103-Q106 HydrophobicContact CG2-CG 3.88Å; T103-Q106 WeakPolarHBondContact O-CB 3.44Å; T103-Q106 PolarHBondContact O-N 2.83Å; T103-L107 PolarHBondContact O-N 3.45Å
104E93.1Very high96.6Very high64 Ų6442.9 Ų42.930%0.29920%0.2SC..Hα-helixtrans-57.4-38.1-176.3-16761.4-162.600113.3Q106 L107 E108 R111 H132E104-Q106 PolarHBondContact O-N 3.18Å; E104-L107 CarbonylContact O-C 3.58Å; E104-L107 PolarHBondContact O-N 2.94Å; E104-E108 WeakPolarHBondContact O-CG 3.41Å; E104-E108 PolarHBondContact O-N 3.42Å; E104-R111 IonicContact OE1-CZ 2.94Å; E104-R111 IonicContact OE1-NH1 2.84Å; E104-R111 PolarHBondContact OE1-NH1 2.82Å; E104-R111 IonicContact OE2-NH1 2.81Å; E104-H132 WeakPolarHBondContact OE2-CB 3.5Å; E104-H132 IonicContact OE2-CD2 3.15Å; E104-H132 PolarHBondContact OE2-CD2 2.85Å; E104-H132 IonicContact OE2-CG 3.6Å; E104-H132 IonicContact OE2-ND1 2.95Å
105V91.8Very high96.7Very high83 Ų8339 Ų3950%0.50319%0.189SC..Hα-helixtrans-61-31.3178.2-179.50000112.4T103T103-V105 VanDerWaalsContact C-N 3.27Å; T103-V105 PolarHBondContact O-N 2.97Å
106Q91.5Very high96.7Very high15 Ų1543.3 Ų43.37%0.0721%0.205CC..Hα-helixtrans-73.3-44.8174.1-68.6-64.8-15.700110.7K56 T103 E104 E108 V109 A110K56-Q106 PolarHBondContact O-OE1 2.76Å; T103-Q106 HydrophobicContact CG2-CB 4.45Å; T103-Q106 HydrophobicContact CG2-CG 3.88Å; T103-Q106 WeakPolarHBondContact O-CB 3.44Å; T103-Q106 PolarHBondContact O-N 2.83Å; E104-Q106 PolarHBondContact O-N 3.18Å; Q106-E108 VanDerWaalsContact C-N 3.31Å; Q106-E108 PolarHBondContact O-N 2.92Å; Q106-V109 WeakPolarHBondContact O-CB 3.33Å; Q106-V109 PolarHBondContact O-N 2.82Å; Q106-V109 VanDerWaalsContact O-N 3.14Å; Q106-A110 PolarHBondContact O-N 3.39Å
107L96.4Very high96.7Very high0 Ų040.6 Ų40.60%019%0.192CC..Hα-helixtrans-65.6-31.5178.7-62.5178.8000113D101 T103 E104 V109 A110 R111 F130 V131 H132D101-L107 HydrophobicContact CB-CD1 4.37Å; D101-L107 HydrophobicContact CB-CD2 3.67Å; D101-L107 HydrophobicContact CB-CG 4.01Å; T103-L107 PolarHBondContact O-N 3.45Å; E104-L107 CarbonylContact O-C 3.58Å; E104-L107 PolarHBondContact O-N 2.94Å; L107-V109 VanDerWaalsContact C-N 3.31Å; L107-V109 PolarHBondContact O-N 2.89Å; L107-A110 PolarHBondContact O-N 2.89Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 WeakPolarHBondContact O-CG 3.36Å; L107-R111 PolarHBondContact O-N 3.45Å; L107-F130 HydrophobicContact CD2-CB 4.18Å; L107-F130 HydrophobicContact CD2-CD1 4.44Å; L107-V131 WeakPolarHBondContact CD1-O 3.19Å; L107-H132 VanDerWaalsContact CD1-CA 3.47Å; L107-H132 HydrophobicContact CD1-CB 3.65Å
108E96.6Very high96.6Very high112 Ų11241 Ų4152%0.52320%0.195SC..Hα-helixtrans-58.2-44.3172-76.6174.3-176.800111.2E104 Q106 K112E104-E108 WeakPolarHBondContact O-CG 3.41Å; E104-E108 PolarHBondContact O-N 3.42Å; Q106-E108 VanDerWaalsContact C-N 3.31Å; Q106-E108 PolarHBondContact O-N 2.92Å; E108-K112 VanDerWaalsContact O-CB 3.28Å; E108-K112 WeakPolarHBondContact O-CB 3.5Å; E108-K112 PolarHBondContact O-N 2.82Å
109V95.8Very high96.6Very high6 Ų649 Ų494%0.03623%0.229CC..Hα-helixtrans-66.4-45.4175.6178.70000110.2E52 V53 K56 Q106 L107 R111 K112 Y113E52-V109 HydrophobicContact CG-CG1 4.21Å; V53-V109 HydrophobicContact CG2-CG1 4.25Å; K56-V109 HydrophobicContact CD-CB 4.38Å; K56-V109 HydrophobicContact CD-CG1 4.15Å; K56-V109 HydrophobicContact CD-CG2 3.61Å; Q106-V109 WeakPolarHBondContact O-CB 3.33Å; Q106-V109 PolarHBondContact O-N 2.82Å; Q106-V109 VanDerWaalsContact O-N 3.14Å; L107-V109 VanDerWaalsContact C-N 3.31Å; L107-V109 PolarHBondContact O-N 2.89Å; V109-R111 PolarHBondContact O-N 3.11Å; V109-K112 PolarHBondContact O-N 2.91Å; V109-Y113 HydrophobicContact CG1-CD2 4.39Å; V109-Y113 HydrophobicContact CG1-CE2 4.38Å; V109-Y113 WeakPolarHBondContact O-CD2 3.47Å
110A97.2Very high96.5Very high0 Ų053 Ų530%025%0.248CC..Hα-helixtrans-56.6-52.8178.200000110.7S80 Y85 Q106 L107 K112 Y113 F130S80-A110 WeakPolarHBondContact O-CA 3.23Å; S80-A110 VanDerWaalsContact O-CB 3.27Å; S80-A110 WeakPolarHBondContact O-CB 3.16Å; Y85-A110 PolarHBondContact OH-O 3.44Å; Q106-A110 PolarHBondContact O-N 3.39Å; L107-A110 PolarHBondContact O-N 2.89Å; A110-K112 PolarHBondContact O-N 3.19Å; A110-Y113 PolarHBondContact O-N 3.12Å; A110-F130 HydrophobicContact CB-CD1 3.67Å; A110-F130 HydrophobicContact CB-CD2 3.91Å; A110-F130 HydrophobicContact CB-CE1 3.66Å; A110-F130 HydrophobicContact CB-CE2 3.89Å; A110-F130 HydrophobicContact CB-CG 3.81Å; A110-F130 HydrophobicContact CB-CZ 3.76Å
111R98.5Very high96.5Very high88 Ų8854 Ų5433%0.33225%0.252SS..Hα-helixtrans-64.9-35.8-178.5-68.2169.2-172.6150.13.3113.2E104 L107 V109 Y113 M114 F130E104-R111 IonicContact OE1-CZ 2.94Å; E104-R111 IonicContact OE1-NH1 2.84Å; E104-R111 PolarHBondContact OE1-NH1 2.82Å; E104-R111 IonicContact OE2-NH1 2.81Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 WeakPolarHBondContact O-CG 3.36Å; L107-R111 PolarHBondContact O-N 3.45Å; V109-R111 PolarHBondContact O-N 3.11Å; R111-Y113 PolarHBondContact O-N 2.93Å; R111-Y113 VanDerWaalsContact O-N 3.13Å; R111-M114 HydrophobicContact CB-SD 4.37Å; R111-M114 HydrophobicContact CG-SD 4.41Å; R111-M114 WeakPolarHBondContact O-CG 3.31Å; R111-M114 PolarHBondContact O-N 3.28Å; R111-F130 HydrophobicContact CG-CB 3.83Å; R111-F130 HydrophobicContact CG-CD2 4.07Å; R111-F130 HydrophobicContact CG-CG 4.33Å; R111-F130 PolarHBondContact NE-O 2.93Å; R111-F130 PolarHBondContact NH2-O 3.29Å; R111-F130 VanDerWaalsContact NH2-O 3.13Å
112K98.2Very high96.5Very high127 Ų12756.2 Ų56.255%0.55228%0.279SS*.Hα-helixtrans-55.2-31.2179.5178.6-176.4174.4-163.70113.3E52 E108 V109 A110E52-K112 IonicContact OE1-NZ 3.05Å; E52-K112 IonicContact OE2-NZ 2.66Å; E52-K112 PolarHBondContact OE2-NZ 2.95Å; E108-K112 VanDerWaalsContact O-CB 3.28Å; E108-K112 WeakPolarHBondContact O-CB 3.5Å; E108-K112 PolarHBondContact O-N 2.82Å; V109-K112 PolarHBondContact O-N 2.91Å; A110-K112 PolarHBondContact O-N 3.19Å
113Y98Very high96.7Very high27 Ų2756 Ų5611%0.10628%0.277CS..THydrogen-bonded Turntrans-104.812.8-172.6-69.3-69.5000115.1H50 E52 V53 Y85 V109 A110 R111 D115 Y116 H117H50-Y113 HydrophobicContact CB-CD1 4Å; H50-Y113 HydrophobicContact CB-CE1 4.47Å; H50-Y113 HydrophobicContact CB-CG 4.1Å; H50-Y113 AromaticContact CD2-CD1 3.58Å; H50-Y113 AromaticContact CD2-CE1 3.4Å; H50-Y113 VanDerWaalsContact CD2-CE1 3.4Å; H50-Y113 WeakPolarHBondContact CD2-CE1 3.49Å; H50-Y113 AromaticContact CE1-CD1 4Å; H50-Y113 AromaticContact CE1-CE1 3.19Å; H50-Y113 WeakPolarHBondContact CE1-CE1 3.47Å; H50-Y113 AromaticContact CE1-CZ 3.19Å; H50-Y113 PolarHBondContact CE1-OH 2.9Å; H50-Y113 AromaticContact CG-CD1 3.47Å; H50-Y113 VanDerWaalsContact CG-CD1 3.47Å; H50-Y113 AromaticContact CG-CE1 3.49Å; H50-Y113 VanDerWaalsContact CG-CE1 3.49Å; H50-Y113 AromaticContact CG-CG 3.94Å; H50-Y113 AromaticContact CG-CZ 3.95Å; H50-Y113 AromaticContact ND1-CD1 3.72Å; H50-Y113 AromaticContact ND1-CE1 3.33Å; H50-Y113 VanDerWaalsContact ND1-CE1 3.33Å; H50-Y113 WeakPolarHBondContact ND1-CE1 3.4Å; H50-Y113 AromaticContact ND1-CE2 3.69Å; H50-Y113 AromaticContact ND1-CZ 3.31Å; H50-Y113 VanDerWaalsContact ND1-CZ 3.31Å; H50-Y113 AromaticContact NE2-CD1 3.92Å; H50-Y113 AromaticContact NE2-CE1 3.22Å; H50-Y113 WeakPolarHBondContact NE2-CE1 3.32Å; H50-Y113 AromaticContact NE2-CZ 3.73Å; E52-Y113 HydrophobicContact CB-CE2 3.78Å; E52-Y113 HydrophobicContact CG-CE2 4.13Å; E52-Y113 PolarHBondContact OE2-OH 3.42Å; V53-Y113 HydrophobicContact CG2-CD2 3.64Å; V53-Y113 HydrophobicContact CG2-CG 4.11Å; Y85-Y113 PolarHBondContact OH-O 3.25Å; V109-Y113 HydrophobicContact CG1-CD2 4.39Å; V109-Y113 HydrophobicContact CG1-CE2 4.38Å; V109-Y113 WeakPolarHBondContact O-CD2 3.47Å; A110-Y113 PolarHBondContact O-N 3.12Å; R111-Y113 PolarHBondContact O-N 2.93Å; R111-Y113 VanDerWaalsContact O-N 3.13Å; Y113-D115 PolarHBondContact O-N 3.44Å; Y113-Y116 HydrophobicContact CD1-CG 4.34Å; Y113-Y116 WeakPolarHBondContact O-CB 3.14Å; Y113-Y116 PolarHBondContact O-N 2.98Å; Y113-H117 PolarHBondContact O-N 3.34Å; Y113-H117 VanDerWaalsContact O-N 3.14Å; Y113-H117 PolarHBondContact O-ND1 3.07Å
114M98.4Very high96.9Very high45 Ų4565 Ų6522%0.22232%0.315CS..Hα-helixtrans-61.6-49.4-176.9-70.9176.35300112.2Y85 R111 Y116 H117 A118 P126 V128 F130Y85-M114 WeakPolarHBondContact OH-CA 3.49Å; Y85-M114 VanDerWaalsContact OH-CG 3.25Å; Y85-M114 WeakPolarHBondContact OH-CG 3.4Å; Y85-M114 PolarHBondContact OH-N 3.25Å; R111-M114 HydrophobicContact CB-SD 4.37Å; R111-M114 HydrophobicContact CG-SD 4.41Å; R111-M114 WeakPolarHBondContact O-CG 3.31Å; R111-M114 PolarHBondContact O-N 3.28Å; M114-Y116 VanDerWaalsContact C-N 3.32Å; M114-Y116 PolarHBondContact O-N 3.43Å; M114-H117 PolarHBondContact O-N 2.79Å; M114-A118 PolarHBondContact O-N 2.05Å; M114-P126 HydrophobicContact CB-CB 4.12Å; M114-P126 HydrophobicContact CB-CG 4.03Å; M114-P126 HydrophobicContact CE-CB 3.96Å; M114-P126 HydrophobicContact CE-CG 4.39Å; M114-V128 HydrophobicContact CB-CG2 4.33Å; M114-V128 HydrophobicContact CE-CG2 4.22Å; M114-V128 VanDerWaalsContact CE-O 3.27Å; M114-V128 WeakPolarHBondContact CE-O 3.48Å; M114-V128 HydrophobicContact CG-CG2 3.81Å; M114-F130 HydrophobicContact CG-CD2 4.18Å; M114-F130 HydrophobicContact CG-CE2 3.94Å; M114-F130 HydrophobicContact SD-CD2 3.96Å; M114-F130 HydrophobicContact SD-CE2 4.31Å
115D98.3Very high97.1Very high121 Ų12169.3 Ų69.365%0.64733%0.333SS*.Hα-helixtrans-69.3-31.8-180-67-25.6000112.4Y113 K119 P126Y113-D115 PolarHBondContact O-N 3.44Å; D115-K119 WeakPolarHBondContact O-CB 3.43Å; D115-K119 PolarHBondContact O-N 3.44Å; D115-P126 WeakPolarHBondContact OD1-CG 3.45Å
116Y98.2Very high97.4Very high93 Ų9367 Ų6737%0.36532%0.319SS..Hα-helixtrans-58.9-52.8174.5171.4-90.4000110.6H50 Y113 M114 K119 E120H50-Y116 HydrophobicContact CB-CD1 3.82Å; H50-Y116 HydrophobicContact CB-CE1 3.69Å; H50-Y116 AromaticContact CD2-CE1 3.85Å; H50-Y116 AromaticContact CD2-CE2 3.95Å; H50-Y116 AromaticContact CD2-CZ 3.82Å; Y113-Y116 HydrophobicContact CD1-CG 4.34Å; Y113-Y116 WeakPolarHBondContact O-CB 3.14Å; Y113-Y116 PolarHBondContact O-N 2.98Å; M114-Y116 VanDerWaalsContact C-N 3.32Å; M114-Y116 PolarHBondContact O-N 3.43Å; Y116-K119 PolarHBondContact O-N 2.95Å; Y116-E120 HydrophobicContact CE1-CB 4.48Å; Y116-E120 WeakPolarHBondContact O-CB 3.31Å; Y116-E120 PolarHBondContact O-N 2.71Å
117H98.5Very high97.7Very high2 Ų266.6 Ų66.61%0.00932%0.318CS..Hα-helixtrans-69.3-37.9-178-65.696.9000111.9V49 H50 Y85 Y113 M114 K119 E120 F121V49-H117 WeakPolarHBondContact CA-NE2 3.35Å; H50-H117 PolarHBondContact N-NE2 3.32Å; Y85-H117 HydrophobicContact CD1-CB 3.48Å; Y85-H117 VanDerWaalsContact CD1-CB 3.48Å; Y85-H117 AromaticContact CD1-CD2 3.79Å; Y85-H117 AromaticContact CD1-CE1 3.77Å; Y85-H117 AromaticContact CD1-CG 3.23Å; Y85-H117 AromaticContact CD1-ND1 3.25Å; Y85-H117 VanDerWaalsContact CD1-ND1 3.25Å; Y85-H117 WeakPolarHBondContact CD1-ND1 3.39Å; Y85-H117 AromaticContact CD2-CE1 3.39Å; Y85-H117 WeakPolarHBondContact CD2-CE1 3.46Å; Y85-H117 AromaticContact CD2-ND1 3.7Å; Y85-H117 AromaticContact CD2-NE2 3.87Å; Y85-H117 HydrophobicContact CE1-CB 3.67Å; Y85-H117 AromaticContact CE1-CE1 3.88Å; Y85-H117 AromaticContact CE1-CG 3.52Å; Y85-H117 AromaticContact CE1-ND1 3.14Å; Y85-H117 WeakPolarHBondContact CE1-ND1 3.41Å; Y85-H117 AromaticContact CE2-CE1 3.54Å; Y85-H117 AromaticContact CE2-ND1 3.62Å; Y85-H117 HydrophobicContact CG-CB 4.34Å; Y85-H117 AromaticContact CG-CD2 3.75Å; Y85-H117 AromaticContact CG-CE1 3.51Å; Y85-H117 AromaticContact CG-CG 3.65Å; Y85-H117 AromaticContact CG-ND1 3.52Å; Y85-H117 AromaticContact CG-NE2 3.68Å; Y85-H117 AromaticContact CZ-CE1 3.77Å; Y85-H117 AromaticContact CZ-ND1 3.33Å; Y85-H117 VanDerWaalsContact CZ-ND1 3.33Å; Y113-H117 PolarHBondContact O-N 3.34Å; Y113-H117 VanDerWaalsContact O-N 3.14Å; Y113-H117 PolarHBondContact O-ND1 3.07Å; M114-H117 PolarHBondContact O-N 2.79Å; H117-K119 VanDerWaalsContact C-N 3.28Å; H117-K119 PolarHBondContact O-N 2.68Å; H117-E120 PolarHBondContact O-N 2.69Å; H117-F121 HydrophobicContact CB-CD2 4.29Å; H117-F121 HydrophobicContact CB-CE2 3.8Å; H117-F121 HydrophobicContact CB-CZ 4.01Å; H117-F121 AromaticContact CD2-CZ 3.84Å; H117-F121 WeakPolarHBondContact O-CB 3.49Å; H117-F121 VanDerWaalsContact O-CD2 3.25Å; H117-F121 WeakPolarHBondContact O-CD2 3.35Å; H117-F121 WeakPolarHBondContact O-CG 3.2Å; H117-F121 PolarHBondContact O-N 2.68Å
118A98.1Very high97.8Very high8 Ų866.9 Ų66.97%0.06632%0.32CS..Hα-helixtrans-55.9-45.4173.300000111.5M114 G122 Y123 P126M114-A118 PolarHBondContact O-N 2.05Å; A118-G122 PolarHBondContact O-N 3.29Å; A118-G122 VanDerWaalsContact O-N 3.13Å; A118-Y123 PolarHBondContact O-N 2.81Å; A118-P126 HydrophobicContact CB-CB 4.32Å; A118-P126 HydrophobicContact CB-CG 3.93Å
119K98Very high97.9Very high177 Ų17763.4 Ų63.477%0.7731%0.307SS*.Hα-helixtrans-66.5-46.1176.7-175.5-178.1177.8-176.10112.5D115 Y116 H117 F121 G122D115-K119 WeakPolarHBondContact O-CB 3.43Å; D115-K119 PolarHBondContact O-N 3.44Å; Y116-K119 PolarHBondContact O-N 2.95Å; H117-K119 VanDerWaalsContact C-N 3.28Å; H117-K119 PolarHBondContact O-N 2.68Å; K119-F121 PolarHBondContact O-N 2.97Å; K119-G122 PolarHBondContact O-N 3.14Å; K119-G122 VanDerWaalsContact O-N 3.11Å
120E97.9Very high98Very high85 Ų8563.9 Ų63.940%0.39731%0.309SS..Hα-helixtrans-60.8-33.3179.1-177.758.6-153.500112.2K48 Y116 H117K48-E120 HydrophobicContact CB-CG 4.14Å; Y116-E120 HydrophobicContact CE1-CB 4.48Å; Y116-E120 WeakPolarHBondContact O-CB 3.31Å; Y116-E120 PolarHBondContact O-N 2.71Å; H117-E120 PolarHBondContact O-N 2.69Å
121F97.6Very high98.1Very high21 Ų2165.3 Ų65.39%0.09232%0.318CS..THydrogen-bonded Turntrans-89.1-5.3178.6-54.5-19000113.2K48 Y85 L89 H117 K119 Y123K48-F121 HydrophobicContact CB-CE1 3.8Å; K48-F121 HydrophobicContact CD-CD1 4.34Å; K48-F121 HydrophobicContact CD-CE1 4.26Å; Y85-F121 WeakPolarHBondContact O-CE2 3.44Å; Y85-F121 WeakPolarHBondContact O-CZ 3.48Å; L89-F121 HydrophobicContact CB-CD1 4.36Å; L89-F121 HydrophobicContact CB-CD2 4.1Å; L89-F121 HydrophobicContact CB-CE1 4.22Å; L89-F121 HydrophobicContact CB-CE2 3.93Å; L89-F121 HydrophobicContact CB-CG 4.32Å; L89-F121 HydrophobicContact CB-CZ 4Å; L89-F121 HydrophobicContact CD1-CB 3.95Å; L89-F121 HydrophobicContact CD1-CD1 3.86Å; L89-F121 HydrophobicContact CD1-CD2 4.31Å; L89-F121 HydrophobicContact CD1-CE1 4.47Å; L89-F121 HydrophobicContact CD1-CG 3.78Å; L89-F121 HydrophobicContact CD2-CD1 4.21Å; L89-F121 HydrophobicContact CD2-CE1 4.13Å; L89-F121 HydrophobicContact CG-CD1 4.37Å; H117-F121 HydrophobicContact CB-CD2 4.29Å; H117-F121 HydrophobicContact CB-CE2 3.8Å; H117-F121 HydrophobicContact CB-CZ 4.01Å; H117-F121 AromaticContact CD2-CZ 3.84Å; H117-F121 WeakPolarHBondContact O-CB 3.49Å; H117-F121 VanDerWaalsContact O-CD2 3.25Å; H117-F121 WeakPolarHBondContact O-CD2 3.35Å; H117-F121 WeakPolarHBondContact O-CG 3.2Å; H117-F121 PolarHBondContact O-N 2.68Å; K119-F121 PolarHBondContact O-N 2.97Å; F121-Y123 HydrophobicContact CB-CD1 4.14Å; F121-Y123 HydrophobicContact CB-CD2 3.92Å; F121-Y123 HydrophobicContact CB-CE1 3.98Å; F121-Y123 HydrophobicContact CB-CE2 3.77Å; F121-Y123 HydrophobicContact CB-CG 4.1Å; F121-Y123 HydrophobicContact CD2-CD2 4.29Å; F121-Y123 AromaticContact CD2-CE2 3.85Å; F121-Y123 HydrophobicContact CD2-CE2 3.85Å; F121-Y123 HydrophobicContact CG-CE2 4.3Å; F121-Y123 WeakPolarHBondContact O-CD1 3.33Å
122G97.8Very high98.1Very high63 Ų6365.4 Ų65.465%0.64932%0.322SS*.THydrogen-bonded Turntrans74.921.3-179.500000114.3A118 K119A118-G122 PolarHBondContact O-N 3.29Å; A118-G122 VanDerWaalsContact O-N 3.13Å; K119-G122 PolarHBondContact O-N 3.14Å; K119-G122 VanDerWaalsContact O-N 3.11Å
123Y98.1Very high98Very high32 Ų3259.9 Ų59.913%0.12530%0.301CS..  trans-85.5147.9-179.9-59.2-17.5000111.8S88 L89 G92 E93 A118 F121 K125S88-Y123 WeakPolarHBondContact O-CE2 3.5Å; S88-Y123 PolarHBondContact O-OH 3.17Å; L89-Y123 PolarHBondContact O-OH 3.27Å; G92-Y123 VanDerWaalsContact CA-OH 3.29Å; G92-Y123 WeakPolarHBondContact CA-OH 3.33Å; E93-Y123 HydrophobicContact CB-CD1 3.71Å; E93-Y123 HydrophobicContact CB-CE1 3.85Å; E93-Y123 HydrophobicContact CB-CG 4.2Å; E93-Y123 HydrophobicContact CG-CD1 3.96Å; E93-Y123 HydrophobicContact CG-CG 4.07Å; A118-Y123 PolarHBondContact O-N 2.81Å; F121-Y123 HydrophobicContact CB-CD1 4.14Å; F121-Y123 HydrophobicContact CB-CD2 3.92Å; F121-Y123 HydrophobicContact CB-CE1 3.98Å; F121-Y123 HydrophobicContact CB-CE2 3.77Å; F121-Y123 HydrophobicContact CB-CG 4.1Å; F121-Y123 HydrophobicContact CD2-CD2 4.29Å; F121-Y123 AromaticContact CD2-CE2 3.85Å; F121-Y123 HydrophobicContact CD2-CE2 3.85Å; F121-Y123 HydrophobicContact CG-CE2 4.3Å; F121-Y123 WeakPolarHBondContact O-CD1 3.33Å; Y123-K125 WeakPolarHBondContact CB-O 3.41Å; Y123-K125 PolarHBondContact O-N 3.36Å
124K96.3Very high98Very high197 Ų19763.3 Ų63.386%0.85732%0.315SS*.SBendtrans-67.7-26.6177.9-68.1177.3-177.5175.10113.3E93E93-K124 WeakPolarHBondContact OE1-CG 3.22Å; E93-K124 PolarHBondContact OE1-N 3.23Å
125K97.5Very high97.9Very high154 Ų15462 Ų6267%0.6731%0.308SS*.SBendtrans-153158.8179.761.4178.3-177174.10109.6Y123 N127Y123-K125 WeakPolarHBondContact CB-O 3.41Å; Y123-K125 PolarHBondContact O-N 3.36Å; K125-N127 PolarHBondContact O-N 3.05Å
126P98.3Very high97.9Very high34 Ų3457.4 Ų57.422%0.22128%0.283CS..  trans-56.9135.4169.5-22.833.3000111.3M114 D115 A118 V128M114-P126 HydrophobicContact CB-CB 4.12Å; M114-P126 HydrophobicContact CB-CG 4.03Å; M114-P126 HydrophobicContact CE-CB 3.96Å; M114-P126 HydrophobicContact CE-CG 4.39Å; D115-P126 WeakPolarHBondContact OD1-CG 3.45Å; A118-P126 HydrophobicContact CB-CB 4.32Å; A118-P126 HydrophobicContact CB-CG 3.93Å; P126-V128 HydrophobicContact CB-CG2 4.25Å
127N98.5Very high97.8Very high7 Ų754.6 Ų54.64%0.03728%0.279CS..  trans-105.529.9169.369.5-22.9000111.1S88 G92 G95 H96 V97 K125S88-N127 WeakPolarHBondContact CB-OD1 3.29Å; S88-N127 PolarHBondContact O-ND2 2.94Å; S88-N127 PolarHBondContact OG-OD1 3.09Å; G92-N127 PolarHBondContact O-ND2 2.89Å; G95-N127 WeakPolarHBondContact O-CB 3.13Å; G95-N127 PolarHBondContact O-ND2 3.25Å; H96-N127 CarbonylContact C-O 3.59Å; H96-N127 WeakPolarHBondContact CA-O 3.49Å; H96-N127 PolarHBondContact ND1-O 3.33Å; V97-N127 PolarHBondContact N-O 3.49Å; K125-N127 PolarHBondContact O-N 3.05Å
128V98.7Very high97.8Very high6 Ų654.6 Ų54.64%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-123.2152.3175.4-63.70000111.1Y85 S88 V97 M114 P126 F130Y85-V128 HydrophobicContact CD1-CG1 4.21Å; Y85-V128 HydrophobicContact CD1-CG2 4.38Å; Y85-V128 HydrophobicContact CE1-CG1 4.29Å; Y85-V128 HydrophobicContact CE1-CG2 3.66Å; S88-V128 VanDerWaalsContact CB-CG1 3.4Å; V97-V128 HydrophobicContact CB-CG1 4.33Å; V97-V128 CarbonylContact O-C 3.59Å; V97-V128 WeakPolarHBondContact O-CA 3.49Å; M114-V128 HydrophobicContact CB-CG2 4.33Å; M114-V128 HydrophobicContact CE-CG2 4.22Å; M114-V128 VanDerWaalsContact CE-O 3.27Å; M114-V128 WeakPolarHBondContact CE-O 3.48Å; M114-V128 HydrophobicContact CG-CG2 3.81Å; P126-V128 HydrophobicContact CB-CG2 4.25Å; V128-F130 HydrophobicContact CB-CE2 4.22Å; V128-F130 HydrophobicContact CB-CZ 4.41Å; V128-F130 HydrophobicContact CG2-CE2 3.93Å; V128-F130 HydrophobicContact CG2-CZ 4.46Å
129S98.5Very high97.7Very high38 Ų3856.6 Ų56.627%0.26629%0.292SS..EExtended strand (participates in β ladder)trans-143.9147.8169.650.70000111.2H96 V97 T98 G99H96-S129 PolarHBondContact NE2-OG 2.76Å; V97-S129 PolarHBondContact O-N 3.03Å; T98-S129 CarbonylContact C-O 3.58Å; T98-S129 VanDerWaalsContact CA-O 3.28Å; T98-S129 WeakPolarHBondContact CA-O 3.41Å; T98-S129 PolarHBondContact OG1-OG 3.14Å; T98-S129 VanDerWaalsContact OG1-OG 3.07Å; G99-S129 PolarHBondContact N-O 2.74Å
130F98.6Very high97.6Very high16 Ų1652.5 Ų52.57%0.0729%0.291CS..EExtended strand (participates in β ladder)trans-127.2116.2-174.1-67.5-71.9000111.6C84 Y85 G99 L107 A110 R111 M114 V128C84-F130 HydrophobicContact CB-CE1 3.84Å; C84-F130 HydrophobicContact CB-CZ 4.03Å; Y85-F130 HydrophobicContact CE1-CE2 4.47Å; Y85-F130 HydrophobicContact CE2-CE2 4.23Å; Y85-F130 AromaticContact CE2-CZ 3.91Å; Y85-F130 HydrophobicContact CE2-CZ 3.91Å; Y85-F130 AromaticContact CZ-CE2 3.83Å; Y85-F130 AromaticContact CZ-CZ 3.9Å; Y85-F130 WeakPolarHBondContact OH-CE2 3.42Å; G99-F130 CarbonylContact O-C 3.59Å; G99-F130 WeakPolarHBondContact O-CA 3.5Å; L107-F130 HydrophobicContact CD2-CB 4.18Å; L107-F130 HydrophobicContact CD2-CD1 4.44Å; A110-F130 HydrophobicContact CB-CD1 3.67Å; A110-F130 HydrophobicContact CB-CD2 3.91Å; A110-F130 HydrophobicContact CB-CE1 3.66Å; A110-F130 HydrophobicContact CB-CE2 3.89Å; A110-F130 HydrophobicContact CB-CG 3.81Å; A110-F130 HydrophobicContact CB-CZ 3.76Å; R111-F130 HydrophobicContact CG-CB 3.83Å; R111-F130 HydrophobicContact CG-CD2 4.07Å; R111-F130 HydrophobicContact CG-CG 4.33Å; R111-F130 PolarHBondContact NE-O 2.93Å; R111-F130 PolarHBondContact NH2-O 3.29Å; R111-F130 VanDerWaalsContact NH2-O 3.13Å; M114-F130 HydrophobicContact CG-CD2 4.18Å; M114-F130 HydrophobicContact CG-CE2 3.94Å; M114-F130 HydrophobicContact SD-CD2 3.96Å; M114-F130 HydrophobicContact SD-CE2 4.31Å; V128-F130 HydrophobicContact CB-CE2 4.22Å; V128-F130 HydrophobicContact CB-CZ 4.41Å; V128-F130 HydrophobicContact CG2-CE2 3.93Å; V128-F130 HydrophobicContact CG2-CZ 4.46Å
131V98.4Very high97.6Very high31 Ų3149.7 Ų49.719%0.18828%0.283CS..EExtended strand (participates in β ladder)trans-106.2134.4-174.4178.80000110T98 G99 I100 D101 L107 A141 L143T98-V131 HydrophobicContact CG2-CG2 4.02Å; G99-V131 PolarHBondContact O-N 3.36Å; I100-V131 WeakPolarHBondContact CA-O 3.49Å; I100-V131 HydrophobicContact CG1-CB 4.46Å; I100-V131 HydrophobicContact CG1-CG1 4.47Å; D101-V131 PolarHBondContact N-O 3.34Å; D101-V131 VanDerWaalsContact N-O 3.16Å; L107-V131 WeakPolarHBondContact CD1-O 3.19Å; V131-A141 HydrophobicContact CG1-CB 3.88Å; V131-A141 WeakPolarHBondContact CG1-O 3.42Å; V131-L143 HydrophobicContact CG2-CD2 4.05Å
132H98.3Very high97.5Very high90 Ų9051.6 Ų51.642%0.41731%0.309SS..EExtended strand (participates in β ladder)trans-87.7124171.2-177.5-124000109.6D101 M102 E104 L107D101-H132 WeakPolarHBondContact O-CA 3.4Å; D101-H132 PolarHBondContact O-CD2 3.36Å; D101-H132 VanDerWaalsContact O-CD2 3.3Å; M102-H132 PolarHBondContact O-NE2 3.41Å; E104-H132 WeakPolarHBondContact OE2-CB 3.5Å; E104-H132 IonicContact OE2-CD2 3.15Å; E104-H132 PolarHBondContact OE2-CD2 2.85Å; E104-H132 IonicContact OE2-CG 3.6Å; E104-H132 IonicContact OE2-ND1 2.95Å; L107-H132 VanDerWaalsContact CD1-CA 3.47Å; L107-H132 HydrophobicContact CD1-CB 3.65Å
133G97.1Very high97.5Very high11 Ų1149.5 Ų49.511%0.11328%0.282CS..SBendtrans172.5178.5-179.600000114D101 M102D101-G133 CarbonylContact C-O 3.52Å; D101-G133 VanDerWaalsContact C-O 3.23Å; D101-G133 PolarHBondContact O-N 2.82Å; M102-G133 WeakPolarHBondContact CA-O 3.28Å; M102-G133 PolarHBondContact N-O 3.35Å
134Y96.8Very high97.5Very high99 Ų9954.4 Ų54.439%0.38831%0.306SS..  trans-95.2142.8175.9-66.2-75.8000110.1H9 M102 E136 A137H9-Y134 HydrophobicContact CB-CE1 4.08Å; H9-Y134 AromaticContact CG-CE1 3.8Å; H9-Y134 AromaticContact ND1-CE1 3.8Å; M102-Y134 HydrophobicContact CB-CD1 4.09Å; M102-Y134 HydrophobicContact CB-CE1 4.06Å; M102-Y134 HydrophobicContact SD-CD1 4.37Å; M102-Y134 HydrophobicContact SD-CE1 4.14Å; Y134-E136 WeakPolarHBondContact CB-OE2 3.2Å; Y134-E136 PolarHBondContact O-N 3.28Å; Y134-A137 CarbonylContact O-C 3.5Å; Y134-A137 PolarHBondContact O-N 3.41Å
135I97.2Very high97.6Very high18 Ų1851.2 Ų51.29%0.09229%0.292CS..THydrogen-bonded Turntrans-70.3-17-179.558.4170.2000112.4L76 I100 A137 V156 V166L76-I135 HydrophobicContact CB-CG2 3.91Å; L76-I135 HydrophobicContact CD2-CG2 4.23Å; I100-I135 HydrophobicContact CG2-CG2 4.15Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-V156 HydrophobicContact CD1-CG2 4.29Å; I135-V166 HydrophobicContact CD1-CG1 4.19Å; I135-V166 HydrophobicContact CD1-CG2 4.02Å; I135-V166 HydrophobicContact CG1-CG1 4.45Å; I135-V166 HydrophobicContact CG1-CG2 3.91Å
136E97.2Very high97.6Very high24 Ų2448 Ų4811%0.11228%0.283CS..THydrogen-bonded Turntrans-77.8-10.9171.4-5980.4174.900113H9 Y134 S160 Q165 V166 E169H9-E136 IonicContact NE2-OE1 3.79Å; Y134-E136 WeakPolarHBondContact CB-OE2 3.2Å; Y134-E136 PolarHBondContact O-N 3.28Å; E136-S160 WeakPolarHBondContact CG-OG 3.32Å; E136-S160 WeakPolarHBondContact OE1-CA 3.42Å; E136-S160 WeakPolarHBondContact OE1-CB 3.29Å; E136-S160 PolarHBondContact OE1-OG 2.98Å; E136-Q165 HydrophobicContact CB-CG 3.99Å; E136-Q165 WeakPolarHBondContact O-CG 3.32Å; E136-Q165 PolarHBondContact O-NE2 3.41Å; E136-V166 HydrophobicContact CG-CG2 3.76Å; E136-E169 VanDerWaalsContact O-CG 3.3Å; E136-E169 WeakPolarHBondContact O-CG 3.43Å
137A97.1Very high97.6Very high34 Ų3446.7 Ų46.728%0.28127%0.274SS..  trans-138.943.5-167.900000112.4Y134 I135 S139 A140 A141Y134-A137 CarbonylContact O-C 3.5Å; Y134-A137 PolarHBondContact O-N 3.41Å; I135-A137 VanDerWaalsContact C-N 3.29Å; A137-S139 VanDerWaalsContact C-N 3.31Å; A137-S139 PolarHBondContact O-N 3.37Å; A137-A140 HydrophobicContact CB-CB 4.14Å; A137-A140 PolarHBondContact O-N 2.85Å; A137-A140 VanDerWaalsContact O-N 3.07Å; A137-A141 PolarHBondContact O-N 3.32Å
138L98Very high97.6Very high1 Ų146.5 Ų46.51%0.00527%0.273CS..THydrogen-bonded Turntrans-54.8-44.7-177.5-56.3-175.4000112.4L74 L76 I100 A140 A141 G142 L143 E169 A173L74-L138 HydrophobicContact CD2-CD1 3.79Å; L74-L138 HydrophobicContact CD2-CD2 4.41Å; L76-L138 HydrophobicContact CD2-CD1 4.22Å; L76-L138 HydrophobicContact CD2-CD2 3.9Å; I100-L138 HydrophobicContact CD1-CD2 3.7Å; I100-L138 HydrophobicContact CG2-CD2 4.16Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 2.68Å; L138-A141 CarbonylContact O-C 3.55Å; L138-A141 WeakPolarHBondContact O-CB 3.19Å; L138-A141 PolarHBondContact O-N 3.42Å; L138-G142 PolarHBondContact O-N 3.37Å; L138-L143 HydrophobicContact CB-CB 4.28Å; L138-L143 HydrophobicContact CB-CD1 3.97Å; L138-L143 HydrophobicContact CD2-CD1 3.97Å; L138-L143 HydrophobicContact CG-CD1 4.4Å; L138-L143 WeakPolarHBondContact O-CB 3.24Å; L138-L143 PolarHBondContact O-N 2.89Å; L138-E169 HydrophobicContact CB-CB 4.1Å; L138-E169 HydrophobicContact CB-CG 4.49Å; L138-E169 HydrophobicContact CD1-CB 3.82Å; L138-E169 HydrophobicContact CG-CB 3.72Å; L138-E169 HydrophobicContact CG-CG 4.44Å; L138-E169 PolarHBondContact N-OE2 3.14Å; L138-A173 HydrophobicContact CD1-CB 4.14Å
139S95.5Very high97.6Very high50 Ų5048 Ų4835%0.3528%0.281SS..THydrogen-bonded Turntrans-62.5-40178.4-54.10000111.9A137 A141 G142 E169A137-S139 VanDerWaalsContact C-N 3.31Å; A137-S139 PolarHBondContact O-N 3.37Å; S139-A141 VanDerWaalsContact C-N 3.31Å; S139-G142 PolarHBondContact O-N 2.84Å; S139-G142 VanDerWaalsContact O-N 3.12Å; S139-E169 WeakPolarHBondContact CB-OE2 3.41Å; S139-E169 PolarHBondContact N-OE2 3.04Å; S139-E169 PolarHBondContact OG-OE2 2.86Å
140A96.7Very high97.6Very high91 Ų9146.2 Ų46.275%0.75227%0.268SS*.THydrogen-bonded Turntrans-71.4-28.5177.700000112.2A137 L138 G142A137-A140 HydrophobicContact CB-CB 4.14Å; A137-A140 PolarHBondContact O-N 2.85Å; A137-A140 VanDerWaalsContact O-N 3.07Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 2.68Å; A140-G142 PolarHBondContact O-N 3.29Å
141A96.8Very high97.6Very high27 Ų2745.4 Ų45.422%0.22327%0.265CS..THydrogen-bonded Turntrans-74.81.317100000113.2I100 V131 A137 L138 S139I100-A141 HydrophobicContact CD1-CB 3.91Å; V131-A141 HydrophobicContact CG1-CB 3.88Å; V131-A141 WeakPolarHBondContact CG1-O 3.42Å; A137-A141 PolarHBondContact O-N 3.32Å; L138-A141 CarbonylContact O-C 3.55Å; L138-A141 WeakPolarHBondContact O-CB 3.19Å; L138-A141 PolarHBondContact O-N 3.42Å; S139-A141 VanDerWaalsContact C-N 3.31Å
142G97.2Very high97.6Very high61 Ų6144 Ų4463%0.62926%0.256SS*.THydrogen-bonded Turntrans87.614.3176.300000114.5L138 S139 A140L138-G142 PolarHBondContact O-N 3.37Å; S139-G142 PolarHBondContact O-N 2.84Å; S139-G142 VanDerWaalsContact O-N 3.12Å; A140-G142 PolarHBondContact O-N 3.29Å
143L97.9Very high97.4Very high19 Ų1939.7 Ų39.710%0.09924%0.236CC..PPolyproline II helixtrans-80.5131.7174.5-60-177.7000111.1L74 T98 I100 V131 L138 F148L74-L143 HydrophobicContact CD1-CD1 3.77Å; L74-L143 HydrophobicContact CD2-CD1 3.78Å; L74-L143 HydrophobicContact CG-CD1 4.47Å; T98-L143 HydrophobicContact CG2-CD2 3.98Å; I100-L143 HydrophobicContact CD1-CD1 4.4Å; V131-L143 HydrophobicContact CG2-CD2 4.05Å; L138-L143 HydrophobicContact CB-CB 4.28Å; L138-L143 HydrophobicContact CB-CD1 3.97Å; L138-L143 HydrophobicContact CD2-CD1 3.97Å; L138-L143 HydrophobicContact CG-CD1 4.4Å; L138-L143 WeakPolarHBondContact O-CB 3.24Å; L138-L143 PolarHBondContact O-N 2.89Å; L143-F148 HydrophobicContact CB-CE2 4.4Å; L143-F148 HydrophobicContact CD1-CE2 4.49Å; L143-F148 HydrophobicContact CD2-CZ 4.25Å
144E96.6Very high97Very high134 Ų13440 Ų4063%0.62624%0.235SC*.PPolyproline II helixtrans-74.8143.9-178.5-65.2179.9166.600111.7S147E144-S147 WeakPolarHBondContact O-CB 3.24Å; E144-S147 PolarHBondContact O-OG 3.04Å
145K98Very high96.5Very high130 Ų13035.7 Ų35.757%0.56522%0.22SC*.THydrogen-bonded Turntrans-67.2151.1170-61.6-174.6-179-174.20110.7S147 N172K145-S147 PolarHBondContact O-N 2.91Å; K145-N172 CarbonylContact C-O 3.51Å; K145-N172 VanDerWaalsContact CA-O 3.27Å; K145-N172 WeakPolarHBondContact CA-O 3.42Å; K145-N172 WeakPolarHBondContact CB-O 3.36Å
146N98.3Very high96Very high88 Ų8836 Ų3647%0.47122%0.222SC..THydrogen-bonded Turntrans51.140.8177.2-52.4-45.7000113.7N172 A173 L174 K175 K260N146-N172 PolarHBondContact N-O 2.81Å; N146-A173 CarbonylContact C-O 3.58Å; N146-A173 WeakPolarHBondContact CA-O 3.36Å; N146-A173 PolarHBondContact N-O 2.79Å; N146-L174 WeakPolarHBondContact CA-O 3.33Å; N146-L174 PolarHBondContact OD1-O 2.93Å; N146-K175 VanDerWaalsContact O-CG 3.25Å; N146-K175 WeakPolarHBondContact O-CG 3.25Å; N146-K260 PolarHBondContact OD1-NZ 3.34Å
147S98.2Very high95.6Very high5 Ų535 Ų354%0.03522%0.218CC..  trans-115.7-18.3-171.768.30000114R72 E144 K145 A173 K175R72-S147 WeakPolarHBondContact CD-O 3.31Å; R72-S147 PolarHBondContact NE-O 3.01Å; R72-S147 VanDerWaalsContact NE-O 3.15Å; E144-S147 WeakPolarHBondContact O-CB 3.24Å; E144-S147 PolarHBondContact O-OG 3.04Å; K145-S147 PolarHBondContact O-N 2.91Å; S147-A173 PolarHBondContact N-O 2.99Å; S147-K175 WeakPolarHBondContact O-CE 3.39Å
148F98.8Very high95.2Very high4 Ų433.5 Ų33.52%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-109.2138.3-177.9-61.4-78.1000112.2R72 L74 T98 L143 I151 A173 L174 K175R72-F148 HydrophobicContact CB-CD1 4.36Å; L74-F148 HydrophobicContact CB-CD1 3.67Å; L74-F148 HydrophobicContact CB-CD2 4.1Å; L74-F148 HydrophobicContact CB-CE1 3.76Å; L74-F148 HydrophobicContact CB-CE2 4.18Å; L74-F148 HydrophobicContact CB-CG 3.83Å; L74-F148 HydrophobicContact CB-CZ 4.02Å; L74-F148 HydrophobicContact CD1-CZ 4.3Å; L74-F148 HydrophobicContact CD2-CD2 4.23Å; L74-F148 HydrophobicContact CD2-CE2 4.05Å; L74-F148 HydrophobicContact CD2-CZ 4.43Å; L74-F148 HydrophobicContact CG-CZ 4.49Å; T98-F148 HydrophobicContact CG2-CZ 4.43Å; L143-F148 HydrophobicContact CB-CE2 4.4Å; L143-F148 HydrophobicContact CD1-CE2 4.49Å; L143-F148 HydrophobicContact CD2-CZ 4.25Å; F148-I151 HydrophobicContact CB-CG1 4.29Å; F148-A173 HydrophobicContact CD2-CB 4.05Å; F148-A173 PolarHBondContact N-O 3.31Å; F148-L174 WeakPolarHBondContact O-CA 3.28Å; F148-K175 PolarHBondContact O-N 2.97Å
149D98.8Very high94.7Very high37 Ų3734.3 Ų34.320%0.19821%0.209CC..EExtended strand (participates in β ladder)trans-79.6-37172.1-57.9-68.1000110.2C71 R72 K175 G178 E179C71-D149 HydrophobicContact CB-CB 4.14Å; R72-D149 WeakPolarHBondContact CB-OD2 3.24Å; R72-D149 PolarHBondContact N-OD2 2.76Å; R72-D149 PolarHBondContact O-N 3.11Å; D149-K175 VanDerWaalsContact OD1-CD 3.26Å; D149-K175 WeakPolarHBondContact OD1-CD 3.39Å; D149-K175 WeakPolarHBondContact OD1-CE 3.3Å; D149-K175 IonicContact OD1-NZ 3.84Å; D149-K175 PolarHBondContact OD1-NZ 3.4Å; D149-K175 IonicContact OD2-NZ 3.93Å; D149-K175 PolarHBondContact OD2-NZ 2.76Å; D149-G178 WeakPolarHBondContact O-CA 3.39Å; D149-E179 PolarHBondContact O-N 3.22Å
150I98.9Very high94.6Very high0 Ų032 Ų320%019%0.193CC..EExtended strand (participates in β ladder)trans-137.3135.8-176.2-51174.2000108.9P65 L68 C71 R72 I73 L74 I152 E179P65-I150 HydrophobicContact CG-CD1 4.22Å; P65-I150 HydrophobicContact CG-CG2 3.67Å; L68-I150 HydrophobicContact CD2-CD1 3.49Å; L68-I150 VanDerWaalsContact CD2-CD1 3.49Å; C71-I150 HydrophobicContact CB-CD1 4.2Å; R72-I150 PolarHBondContact O-N 2.52Å; I73-I150 CarbonylContact C-O 3.51Å; I73-I150 VanDerWaalsContact CA-O 3.26Å; I73-I150 WeakPolarHBondContact CA-O 3.34Å; I73-I150 HydrophobicContact CD1-CD1 4.4Å; I73-I150 HydrophobicContact CG1-CB 4.21Å; I73-I150 HydrophobicContact CG1-CD1 4.46Å; I73-I150 HydrophobicContact CG2-CB 4.45Å; L74-I150 PolarHBondContact N-O 3.01Å; I150-I152 HydrophobicContact CG2-CG2 3.85Å; I150-E179 CarbonylContact C-O 3.51Å; I150-E179 VanDerWaalsContact CA-O 3.31Å; I150-E179 WeakPolarHBondContact CA-O 3.19Å
151I98.8Very high94.1Very high0 Ų029.3 Ų29.30%017%0.168CC..EExtended strand (participates in β ladder)trans-113.7131163.7-58.5-176.5000107.2L74 L76 F148 A170 A173 L174 E179 L180 Y181L74-I151 HydrophobicContact CB-CG1 4.08Å; L74-I151 HydrophobicContact CB-CG2 4.44Å; L74-I151 HydrophobicContact CD2-CD1 4.15Å; L74-I151 HydrophobicContact CD2-CG1 4.35Å; L74-I151 HydrophobicContact CD2-CG2 4.46Å; L74-I151 HydrophobicContact CG-CG2 4.46Å; L74-I151 CarbonylContact O-C 3.58Å; L74-I151 VanDerWaalsContact O-CA 3.31Å; L74-I151 WeakPolarHBondContact O-CA 3.4Å; L76-I151 HydrophobicContact CD1-CG2 3.73Å; L76-I151 HydrophobicContact CD2-CG2 4.14Å; L76-I151 HydrophobicContact CG-CG2 3.68Å; F148-I151 HydrophobicContact CB-CG1 4.29Å; I151-A170 HydrophobicContact CD1-CB 3.82Å; I151-A170 VanDerWaalsContact CD1-O 3.25Å; I151-A170 WeakPolarHBondContact CD1-O 3.42Å; I151-A173 HydrophobicContact CD1-CB 4Å; I151-L174 HydrophobicContact CB-CD2 4.4Å; I151-L174 HydrophobicContact CD1-CD1 4.36Å; I151-L174 HydrophobicContact CD1-CD2 4.06Å; I151-L174 HydrophobicContact CD1-CG 3.68Å; I151-L174 HydrophobicContact CG1-CD2 3.65Å; I151-L174 HydrophobicContact CG1-CG 3.86Å; I151-E179 PolarHBondContact N-O 2.81Å; I151-L180 HydrophobicContact CB-CD1 3.89Å; I151-L180 HydrophobicContact CG2-CD1 3.68Å; I151-L180 CarbonylContact O-C 3.59Å; I151-L180 WeakPolarHBondContact O-CA 3.29Å; I151-Y181 PolarHBondContact O-N 2.95Å
152I97.9Very high94Very high1 Ų131.1 Ų31.11%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-115.5158.1172.768.6152.5000111.5V63 P65 I73 L74 D75 L76 L87 I150 Y181V63-I152 HydrophobicContact CG1-CB 4.2Å; V63-I152 HydrophobicContact CG1-CG2 4.42Å; P65-I152 HydrophobicContact CG-CG2 3.88Å; I73-I152 HydrophobicContact CG2-CG1 4.26Å; I73-I152 HydrophobicContact CG2-CG2 4.35Å; L74-I152 PolarHBondContact O-N 3.5Å; D75-I152 HydrophobicContact CB-CD1 4.29Å; D75-I152 HydrophobicContact CB-CG1 4Å; L76-I152 PolarHBondContact N-O 2.56Å; L87-I152 HydrophobicContact CD1-CD1 3.41Å; L87-I152 VanDerWaalsContact CD1-CD1 3.41Å; L87-I152 HydrophobicContact CD1-CG1 4.24Å; I150-I152 HydrophobicContact CG2-CG2 3.85Å; I152-Y181 VanDerWaalsContact CA-O 3.26Å; I152-Y181 WeakPolarHBondContact CA-O 3.43Å
153S94Very high93.9Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-155.8141.9172.6158.90000109.1V156 F182 S183S153-V156 WeakPolarHBondContact OG-CG2 3.08Å; S153-F182 VanDerWaalsContact O-CA 3.25Å; S153-F182 WeakPolarHBondContact O-CA 3.26Å; S153-F182 VanDerWaalsContact O-CB 3.3Å; S153-F182 WeakPolarHBondContact O-CB 3.49Å; S153-S183 PolarHBondContact O-N 2.89Å
154N88.9Confident93.8Very high16 Ų1633 Ų339%0.08616%0.164CC..EExtended strand (participates in β ladder)trans-128.1105.5174.1-174.19.5000111.1Y57 G61 V63 V156Y57-N154 PolarHBondContact OH-ND2 3.47Å; G61-N154 PolarHBondContact N-ND2 3.41Å; G61-N154 PolarHBondContact O-ND2 3.43Å; V63-N154 HydrophobicContact CB-CB 4.49Å; V63-N154 HydrophobicContact CG2-CB 3.8Å; N154-V156 VanDerWaalsContact C-N 3.26Å; N154-V156 PolarHBondContact O-N 2.71Å
155C84.7Confident93.9Very high10 Ų1030 Ų307%0.06815%0.15CC..SBendtrans59.723.7175.7-59.10000116S183 C205C155-S183 PolarHBondContact N-O 3.15Å; C155-C205 PolarHBondContact O-SG 3.04Å
156V87Confident93.9Very high24 Ų2424 Ų2415%0.14512%0.124CC..  trans-107.9-23.6-179.5-600000114.7L76 I135 S153 N154 N158 L159L76-V156 HydrophobicContact CB-CG2 4.26Å; L76-V156 WeakPolarHBondContact O-CG2 3.38Å; I135-V156 HydrophobicContact CD1-CG2 4.29Å; S153-V156 WeakPolarHBondContact OG-CG2 3.08Å; N154-V156 VanDerWaalsContact C-N 3.26Å; N154-V156 PolarHBondContact O-N 2.71Å; V156-N158 PolarHBondContact O-N 2.76Å; V156-L159 WeakPolarHBondContact O-CB 3.29Å; V156-L159 PolarHBondContact O-N 3.16Å
157V89.3Confident93.9Very high4 Ų419.9 Ų19.92%0.02410%0.102CC..G310 helixtrans-64-36.1-177.8177.10000109.9L159 S160 K163 V166 F182 D184V157-L159 VanDerWaalsContact C-N 3.26Å; V157-L159 PolarHBondContact O-N 3.49Å; V157-S160 WeakPolarHBondContact O-CB 3.34Å; V157-S160 PolarHBondContact O-N 3.32Å; V157-S160 VanDerWaalsContact O-N 3.08Å; V157-K163 HydrophobicContact CG1-CB 4.39Å; V157-K163 HydrophobicContact CG1-CG 4.22Å; V157-V166 HydrophobicContact CG1-CG1 4.43Å; V157-V166 HydrophobicContact CG2-CG1 4.19Å; V157-F182 HydrophobicContact CG2-CD2 4.15Å; V157-F182 HydrophobicContact CG2-CE2 4.36Å; V157-D184 WeakPolarHBondContact CA-OD2 3.25Å; V157-D184 WeakPolarHBondContact CB-OD2 3.26Å; V157-D184 PolarHBondContact N-OD2 2.72Å; V157-D184 VanDerWaalsContact N-OD2 3.17Å
158N89.4Confident93.9Very high1 Ų120.8 Ų20.81%0.00511%0.11CC..G310 helixtrans-66.1-24.3176.1-78.8-25.9000115.3V156 S160 K163 D184 V185 G208 L210V156-N158 PolarHBondContact O-N 2.76Å; N158-S160 PolarHBondContact O-N 2.71Å; N158-K163 PolarHBondContact O-NZ 3.16Å; N158-K163 WeakPolarHBondContact OD1-CE 3.22Å; N158-D184 VanDerWaalsContact CG-CG 3.46Å; N158-D184 VanDerWaalsContact CG-OD1 3.28Å; N158-D184 PolarHBondContact N-OD2 3.48Å; N158-D184 PolarHBondContact ND2-OD1 3.46Å; N158-V185 PolarHBondContact ND2-N 3.48Å; N158-V185 PolarHBondContact ND2-O 3.23Å; N158-G208 WeakPolarHBondContact O-CA 3.46Å; N158-G208 PolarHBondContact OD1-O 3.32Å; N158-L210 PolarHBondContact OD1-N 2.68Å
159L87.8Confident93.9Very high18 Ų1821.5 Ų21.59%0.09411%0.113CC..G310 helixtrans-74.5-17.7174.4-58.8175.2000112.2V12 Y16 V156 V157 W202V12-L159 HydrophobicContact CG1-CB 4.17Å; V12-L159 HydrophobicContact CG1-CD1 4Å; V12-L159 HydrophobicContact CG1-CD2 4.47Å; V12-L159 HydrophobicContact CG1-CG 4.46Å; V12-L159 HydrophobicContact CG2-CB 4.34Å; V12-L159 HydrophobicContact CG2-CD2 4.47Å; Y16-L159 HydrophobicContact CD2-CD1 4.35Å; Y16-L159 HydrophobicContact CE2-CD1 3.55Å; Y16-L159 HydrophobicContact CE2-CD2 4.26Å; V156-L159 WeakPolarHBondContact O-CB 3.29Å; V156-L159 PolarHBondContact O-N 3.16Å; V157-L159 VanDerWaalsContact C-N 3.26Å; V157-L159 PolarHBondContact O-N 3.49Å; L159-W202 WeakPolarHBondContact CD2-O 3.26Å
160S91.6Very high93.9Very high2 Ų219.8 Ų19.81%0.01410%0.104CC..  trans-70.4133.5173.8179.30000111.4E136 V157 N158 D162 K163 V166E136-S160 WeakPolarHBondContact CG-OG 3.32Å; E136-S160 WeakPolarHBondContact OE1-CA 3.42Å; E136-S160 WeakPolarHBondContact OE1-CB 3.29Å; E136-S160 PolarHBondContact OE1-OG 2.98Å; V157-S160 WeakPolarHBondContact O-CB 3.34Å; V157-S160 PolarHBondContact O-N 3.32Å; V157-S160 VanDerWaalsContact O-N 3.08Å; N158-S160 PolarHBondContact O-N 2.71Å; S160-D162 VanDerWaalsContact C-N 3.28Å; S160-D162 PolarHBondContact OG-N 2.91Å; S160-D162 PolarHBondContact OG-O 3.34Å; S160-K163 PolarHBondContact O-NZ 3.42Å; S160-V166 WeakPolarHBondContact OG-CG2 3.39Å
161P86.9Confident93.9Very high34 Ų3422.2 Ų22.222%0.22111%0.114CC..SBendtrans-72.8-19.5168.431.1-34.5000112.8N5 V8N5-P161 HydrophobicContact CB-CB 4.32Å; N5-P161 HydrophobicContact CB-CG 3.94Å; V8-P161 HydrophobicContact CB-CB 4.38Å; V8-P161 HydrophobicContact CG1-CB 4.25Å; V8-P161 HydrophobicContact CG1-CG 4.37Å
162D94.8Very high93.9Very high65 Ų6524.8 Ų24.835%0.34813%0.127SC..  trans-12975.7-178.6-164.8-18.9000112.2S160 K164 Q165 V166S160-D162 VanDerWaalsContact C-N 3.28Å; S160-D162 PolarHBondContact OG-N 2.91Å; S160-D162 PolarHBondContact OG-O 3.34Å; D162-K164 PolarHBondContact O-N 2.77Å; D162-K164 PolarHBondContact OD1-N 2.93Å; D162-Q165 HydrophobicContact CB-CB 3.98Å; D162-Q165 WeakPolarHBondContact O-CB 3.48Å; D162-Q165 PolarHBondContact O-N 2.94Å; D162-Q165 VanDerWaalsContact O-N 3.1Å; D162-Q165 WeakPolarHBondContact OD1-CB 3.33Å; D162-Q165 PolarHBondContact OD1-N 3.29Å; D162-V166 PolarHBondContact O-N 3.12Å; D162-V166 VanDerWaalsContact O-N 3.07Å
163K94.9Very high93.9Very high26 Ų2625 Ų2511%0.11313%0.129CC..Hα-helixtrans-62.5-31.4-178.2-63.1162.9166.560.30113V157 N158 S160 Q165 V166 L167 G208 L210V157-K163 HydrophobicContact CG1-CB 4.39Å; V157-K163 HydrophobicContact CG1-CG 4.22Å; N158-K163 PolarHBondContact O-NZ 3.16Å; N158-K163 WeakPolarHBondContact OD1-CE 3.22Å; S160-K163 PolarHBondContact O-NZ 3.42Å; K163-Q165 VanDerWaalsContact C-N 3.34Å; K163-V166 PolarHBondContact O-N 2.61Å; K163-L167 WeakPolarHBondContact O-CG 3.25Å; K163-L167 PolarHBondContact O-N 3.4Å; K163-G208 WeakPolarHBondContact CE-O 3.35Å; K163-G208 PolarHBondContact NZ-O 2.65Å; K163-L210 HydrophobicContact CB-CD1 4.49Å; K163-L210 HydrophobicContact CD-CD1 3.8Å; K163-L210 HydrophobicContact CD-CD2 3.44Å; K163-L210 VanDerWaalsContact CD-CD2 3.44Å; K163-L210 HydrophobicContact CD-CG 3.45Å; K163-L210 VanDerWaalsContact CD-CG 3.45Å
164K96.9Very high94.1Very high93 Ų9325 Ų2540%0.40413%0.129SC..Hα-helixtrans-64.5-43.9175.6-176.4170.8177.51640110.1D162 L167 A168 L218 E221 V222D162-K164 PolarHBondContact O-N 2.77Å; D162-K164 PolarHBondContact OD1-N 2.93Å; K164-L167 PolarHBondContact O-N 3.13Å; K164-A168 WeakPolarHBondContact O-CB 3.48Å; K164-A168 PolarHBondContact O-N 2.87Å; K164-L218 HydrophobicContact CB-CD2 3.89Å; K164-L218 HydrophobicContact CD-CD2 4.08Å; K164-L218 HydrophobicContact CG-CD2 4.05Å; K164-E221 WeakPolarHBondContact CE-OE2 3.47Å; K164-E221 IonicContact NZ-OE2 3.65Å; K164-E221 PolarHBondContact NZ-OE2 3.08Å; K164-V222 HydrophobicContact CG-CG2 4.35Å
165Q98Very high94.6Very high73 Ų7327 Ų2734%0.34114%0.137SC..Hα-helixtrans-65.2-39.5176.7-176.260.532.400112E136 D162 K163 A168 E169E136-Q165 HydrophobicContact CB-CG 3.99Å; E136-Q165 WeakPolarHBondContact O-CG 3.32Å; E136-Q165 PolarHBondContact O-NE2 3.41Å; D162-Q165 HydrophobicContact CB-CB 3.98Å; D162-Q165 WeakPolarHBondContact O-CB 3.48Å; D162-Q165 PolarHBondContact O-N 2.94Å; D162-Q165 VanDerWaalsContact O-N 3.1Å; D162-Q165 WeakPolarHBondContact OD1-CB 3.33Å; D162-Q165 PolarHBondContact OD1-N 3.29Å; K163-Q165 VanDerWaalsContact C-N 3.34Å; Q165-A168 PolarHBondContact O-N 2.89Å; Q165-E169 PolarHBondContact O-N 2.82Å
166V98.2Very high95.2Very high2 Ų232.9 Ų32.91%0.01217%0.168CC..Hα-helixtrans-57.9-49.6172.9179.10000111.3L76 I135 E136 V157 S160 D162 K163 A168 E169 A170L76-V166 HydrophobicContact CD1-CG1 4.24Å; I135-V166 HydrophobicContact CD1-CG1 4.19Å; I135-V166 HydrophobicContact CD1-CG2 4.02Å; I135-V166 HydrophobicContact CG1-CG1 4.45Å; I135-V166 HydrophobicContact CG1-CG2 3.91Å; E136-V166 HydrophobicContact CG-CG2 3.76Å; V157-V166 HydrophobicContact CG1-CG1 4.43Å; V157-V166 HydrophobicContact CG2-CG1 4.19Å; S160-V166 WeakPolarHBondContact OG-CG2 3.39Å; D162-V166 PolarHBondContact O-N 3.12Å; D162-V166 VanDerWaalsContact O-N 3.07Å; K163-V166 PolarHBondContact O-N 2.61Å; V166-A168 VanDerWaalsContact C-N 3.32Å; V166-A168 PolarHBondContact O-N 2.98Å; V166-E169 PolarHBondContact O-N 3.35Å; V166-A170 WeakPolarHBondContact O-CB 3.19Å; V166-A170 PolarHBondContact O-N 3.23Å
167L98.4Very high95.8Very high3 Ų332.1 Ų32.12%0.01617%0.165CC..Hα-helixtrans-62.2-40.2177.5-68.1178000111.5K163 K164 A170 Y171 L180 L215 L218 V222 F224K163-L167 WeakPolarHBondContact O-CG 3.25Å; K163-L167 PolarHBondContact O-N 3.4Å; K164-L167 PolarHBondContact O-N 3.13Å; L167-A170 PolarHBondContact O-N 2.92Å; L167-Y171 WeakPolarHBondContact O-CB 3.14Å; L167-Y171 PolarHBondContact O-N 2.98Å; L167-L180 HydrophobicContact CD2-CD2 3.55Å; L167-L215 HydrophobicContact CD1-CD1 4.26Å; L167-L218 HydrophobicContact CD1-CB 3.84Å; L167-V222 HydrophobicContact CB-CG2 4.01Å; L167-F224 HydrophobicContact CB-CE2 4.27Å; L167-F224 WeakPolarHBondContact O-CE2 3.39Å
168A98.5Very high96.2Very high24 Ų2432 Ų3220%0.19817%0.165CC..Hα-helixtrans-64.1-44.817800000112.8K164 Q165 V166 Y171 N172 V222K164-A168 WeakPolarHBondContact O-CB 3.48Å; K164-A168 PolarHBondContact O-N 2.87Å; Q165-A168 PolarHBondContact O-N 2.89Å; V166-A168 VanDerWaalsContact C-N 3.32Å; V166-A168 PolarHBondContact O-N 2.98Å; A168-Y171 PolarHBondContact O-N 3.44Å; A168-N172 WeakPolarHBondContact O-CB 3.25Å; A168-N172 VanDerWaalsContact O-CG 3.24Å; A168-N172 PolarHBondContact O-N 2.98Å; A168-N172 PolarHBondContact O-ND2 3.26Å; A168-V222 HydrophobicContact CB-CG1 4.44Å; A168-V222 HydrophobicContact CB-CG2 4.3Å
169E98.5Very high96.7Very high19 Ų1932 Ų329%0.08917%0.165CC..Hα-helixtrans-66-40.6175.6-75.3-61.8104.200111.7E136 L138 S139 Q165 V166 Y171 N172 A173E136-E169 VanDerWaalsContact O-CG 3.3Å; E136-E169 WeakPolarHBondContact O-CG 3.43Å; L138-E169 HydrophobicContact CB-CB 4.1Å; L138-E169 HydrophobicContact CB-CG 4.49Å; L138-E169 HydrophobicContact CD1-CB 3.82Å; L138-E169 HydrophobicContact CG-CB 3.72Å; L138-E169 HydrophobicContact CG-CG 4.44Å; L138-E169 PolarHBondContact N-OE2 3.14Å; S139-E169 WeakPolarHBondContact CB-OE2 3.41Å; S139-E169 PolarHBondContact N-OE2 3.04Å; S139-E169 PolarHBondContact OG-OE2 2.86Å; Q165-E169 PolarHBondContact O-N 2.82Å; V166-E169 PolarHBondContact O-N 3.35Å; E169-Y171 VanDerWaalsContact C-N 3.34Å; E169-Y171 PolarHBondContact O-N 2.98Å; E169-N172 PolarHBondContact O-N 2.89Å; E169-A173 WeakPolarHBondContact O-CB 3.21Å; E169-A173 PolarHBondContact O-N 2.85Å
170A98.6Very high97.2Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-58.9-46.4174.400000111.3I151 V166 L167 N172 A173 L174 L180 F224I151-A170 HydrophobicContact CD1-CB 3.82Å; I151-A170 VanDerWaalsContact CD1-O 3.25Å; I151-A170 WeakPolarHBondContact CD1-O 3.42Å; V166-A170 WeakPolarHBondContact O-CB 3.19Å; V166-A170 PolarHBondContact O-N 3.23Å; L167-A170 PolarHBondContact O-N 2.92Å; A170-N172 VanDerWaalsContact C-N 3.32Å; A170-N172 PolarHBondContact O-N 2.8Å; A170-A173 PolarHBondContact O-N 2.89Å; A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 2.74Å; A170-L180 HydrophobicContact CB-CD2 4.29Å; A170-F224 HydrophobicContact CB-CZ 4.41Å
171Y98.7Very high97.5Very high52 Ų5231.9 Ų31.920%0.20416%0.163CC..Hα-helixtrans-59.8-40.9175.7-174.1-89.4000112.6L167 A168 E169 V222 G223 F224 K260L167-Y171 WeakPolarHBondContact O-CB 3.14Å; L167-Y171 PolarHBondContact O-N 2.98Å; A168-Y171 PolarHBondContact O-N 3.44Å; E169-Y171 VanDerWaalsContact C-N 3.34Å; E169-Y171 PolarHBondContact O-N 2.98Å; Y171-V222 HydrophobicContact CD2-CG1 4.26Å; Y171-V222 HydrophobicContact CG-CG1 3.93Å; Y171-G223 VanDerWaalsContact CE2-C 3.41Å; Y171-G223 WeakPolarHBondContact CE2-O 3.38Å; Y171-F224 AromaticContact CD2-CD1 3.82Å; Y171-F224 HydrophobicContact CD2-CD1 3.82Å; Y171-F224 HydrophobicContact CD2-CD2 4.03Å; Y171-F224 AromaticContact CD2-CE1 3.84Å; Y171-F224 HydrophobicContact CD2-CE1 3.84Å; Y171-F224 HydrophobicContact CD2-CE2 4.05Å; Y171-F224 AromaticContact CD2-CG 3.92Å; Y171-F224 HydrophobicContact CD2-CG 3.92Å; Y171-F224 AromaticContact CD2-CZ 3.96Å; Y171-F224 HydrophobicContact CD2-CZ 3.96Å; Y171-F224 HydrophobicContact CE2-CD1 4.46Å; Y171-F224 HydrophobicContact CG-CE2 4.38Å; Y171-F224 HydrophobicContact CG-CZ 4.32Å; Y171-K260 HydrophobicContact CD1-CD 4.41Å; Y171-K260 HydrophobicContact CD2-CB 4.3Å; Y171-K260 HydrophobicContact CD2-CD 4.26Å; Y171-K260 HydrophobicContact CD2-CG 4.25Å; Y171-K260 HydrophobicContact CE1-CD 4.18Å; Y171-K260 HydrophobicContact CE1-CG 4.49Å; Y171-K260 HydrophobicContact CE2-CB 3.99Å; Y171-K260 HydrophobicContact CE2-CD 4.02Å; Y171-K260 HydrophobicContact CE2-CG 3.66Å; Y171-K260 HydrophobicContact CG-CD 4.44Å; Y171-K260 VanDerWaalsContact O-CD 3.32Å; Y171-K260 WeakPolarHBondContact O-CD 3.32Å; Y171-K260 PolarHBondContact O-NZ 2.99Å
172N98.3Very high97.9Very high54 Ų5430.4 Ų30.429%0.28915%0.153SC..Hα-helixtrans-68-37.3178.3-73-31.5000112.5K145 N146 A168 E169 A170K145-N172 CarbonylContact C-O 3.51Å; K145-N172 VanDerWaalsContact CA-O 3.27Å; K145-N172 WeakPolarHBondContact CA-O 3.42Å; K145-N172 WeakPolarHBondContact CB-O 3.36Å; N146-N172 PolarHBondContact N-O 2.81Å; A168-N172 WeakPolarHBondContact O-CB 3.25Å; A168-N172 VanDerWaalsContact O-CG 3.24Å; A168-N172 PolarHBondContact O-N 2.98Å; A168-N172 PolarHBondContact O-ND2 3.26Å; E169-N172 PolarHBondContact O-N 2.89Å; A170-N172 VanDerWaalsContact C-N 3.32Å; A170-N172 PolarHBondContact O-N 2.8Å
173A98.6Very high97.8Very high4 Ų427.7 Ų27.73%0.03314%0.139CC..Hα-helixtrans-75.7-30.4-179.200000112.9L138 N146 S147 F148 I151 E169 A170L138-A173 HydrophobicContact CD1-CB 4.14Å; N146-A173 CarbonylContact C-O 3.58Å; N146-A173 WeakPolarHBondContact CA-O 3.36Å; N146-A173 PolarHBondContact N-O 2.79Å; S147-A173 PolarHBondContact N-O 2.99Å; F148-A173 HydrophobicContact CD2-CB 4.05Å; F148-A173 PolarHBondContact N-O 3.31Å; I151-A173 HydrophobicContact CD1-CB 4Å; E169-A173 WeakPolarHBondContact O-CB 3.21Å; E169-A173 PolarHBondContact O-N 2.85Å; A170-A173 PolarHBondContact O-N 2.89Å
174L98.9Very high97.6Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-66.8140.4176.4-78.3169.4000112.7N146 F148 I151 A170 E179 L180 F224 K260N146-L174 WeakPolarHBondContact CA-O 3.33Å; N146-L174 PolarHBondContact OD1-O 2.93Å; F148-L174 WeakPolarHBondContact O-CA 3.28Å; I151-L174 HydrophobicContact CB-CD2 4.4Å; I151-L174 HydrophobicContact CD1-CD1 4.36Å; I151-L174 HydrophobicContact CD1-CD2 4.06Å; I151-L174 HydrophobicContact CD1-CG 3.68Å; I151-L174 HydrophobicContact CG1-CD2 3.65Å; I151-L174 HydrophobicContact CG1-CG 3.86Å; A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 2.74Å; L174-E179 WeakPolarHBondContact CD2-O 3.36Å; L174-L180 HydrophobicContact CD1-CB 4.22Å; L174-F224 HydrophobicContact CD1-CE1 3.69Å; L174-F224 HydrophobicContact CD1-CZ 4.17Å; L174-K260 HydrophobicContact CB-CB 4.43Å; L174-K260 HydrophobicContact CB-CD 4.06Å; L174-K260 PolarHBondContact O-NZ 2.87Å
175K98.7Very high97.4Very high60 Ų6022.1 Ų22.126%0.26112%0.115SC..EExtended strand (participates in β ladder)trans-63.9161.5163.6-67172.2-167.8170.60110.6N146 S147 F148 D149 G177 G178N146-K175 VanDerWaalsContact O-CG 3.25Å; N146-K175 WeakPolarHBondContact O-CG 3.25Å; S147-K175 WeakPolarHBondContact O-CE 3.39Å; F148-K175 PolarHBondContact O-N 2.97Å; D149-K175 VanDerWaalsContact OD1-CD 3.26Å; D149-K175 WeakPolarHBondContact OD1-CD 3.39Å; D149-K175 WeakPolarHBondContact OD1-CE 3.3Å; D149-K175 IonicContact OD1-NZ 3.84Å; D149-K175 PolarHBondContact OD1-NZ 3.4Å; D149-K175 IonicContact OD2-NZ 3.93Å; D149-K175 PolarHBondContact OD2-NZ 2.76Å; K175-G177 PolarHBondContact O-N 2.87Å; K175-G178 WeakPolarHBondContact O-CA 3.38Å; K175-G178 PolarHBondContact O-N 2.93Å
176D98.3Very high97.3Very high132 Ų13218.7 Ų18.771%0.70610%0.099SC*.EExtended strand (participates in β ladder)trans-60.5134.1163.1-65.5-22.5000109G178 K260D176-G178 VanDerWaalsContact C-N 3.25Å; D176-K260 VanDerWaalsContact OD1-CE 3.22Å; D176-K260 WeakPolarHBondContact OD1-CE 3.2Å
177G98.1Very high97.2Very high8 Ų818.6 Ų18.68%0.08210%0.099CC..EExtended strand (participates in β ladder)trans84.1-8.3-16900000115K175 K260 H310 S311K175-G177 PolarHBondContact O-N 2.87Å; G177-K260 WeakPolarHBondContact CA-O 3.31Å; G177-K260 PolarHBondContact N-O 3.18Å; G177-H310 WeakPolarHBondContact CA-O 3.35Å; G177-S311 WeakPolarHBondContact O-CA 3.36Å; G177-S311 VanDerWaalsContact O-CB 3.24Å; G177-S311 WeakPolarHBondContact O-CB 3.47Å
178G98.6Very high97.1Very high3 Ų320.7 Ų20.73%0.03111%0.113CC..EExtended strand (participates in β ladder)trans-71.6159.8-176.700000113.7D149 K175 D176 F259 K260D149-G178 WeakPolarHBondContact O-CA 3.39Å; K175-G178 WeakPolarHBondContact O-CA 3.38Å; K175-G178 PolarHBondContact O-N 2.93Å; D176-G178 VanDerWaalsContact C-N 3.25Å; G178-F259 WeakPolarHBondContact O-CA 3.5Å; G178-K260 PolarHBondContact O-N 3.34Å
179E98.8Very high97Very high0 Ų020.3 Ų20.30%011%0.112CC..EExtended strand (participates in β ladder)trans-124.5131.4-172.7-177.2-176.2-148.100112.4D149 I150 I151 L174 Y181 R257 L258 F259 R312D149-E179 PolarHBondContact O-N 3.22Å; I150-E179 CarbonylContact C-O 3.51Å; I150-E179 VanDerWaalsContact CA-O 3.31Å; I150-E179 WeakPolarHBondContact CA-O 3.19Å; I151-E179 PolarHBondContact N-O 2.81Å; L174-E179 WeakPolarHBondContact CD2-O 3.36Å; E179-Y181 WeakPolarHBondContact OE1-CD2 3.3Å; E179-R257 HydrophobicContact CG-CB 4.38Å; E179-R257 WeakPolarHBondContact OE1-CB 3.47Å; E179-R257 IonicContact OE1-CZ 3.55Å; E179-R257 IonicContact OE1-NE 3.74Å; E179-R257 PolarHBondContact OE1-NE 3.43Å; E179-R257 IonicContact OE1-NH2 3.51Å; E179-R257 PolarHBondContact OE1-NH2 3.05Å; E179-R257 IonicContact OE2-NH2 2.98Å; E179-L258 CarbonylContact C-O 3.57Å; E179-L258 WeakPolarHBondContact CA-O 3.22Å; E179-F259 HydrophobicContact CB-CD1 3.89Å; E179-F259 HydrophobicContact CB-CE1 3.69Å; E179-F259 HydrophobicContact CB-CZ 4.3Å; E179-F259 HydrophobicContact CG-CD1 4.15Å; E179-F259 HydrophobicContact CG-CE1 3.72Å; E179-F259 HydrophobicContact CG-CE2 4.3Å; E179-F259 HydrophobicContact CG-CZ 3.8Å; E179-F259 WeakPolarHBondContact OE1-CZ 3.37Å; E179-R312 IonicContact OE2-CZ 3.43Å; E179-R312 IonicContact OE2-NH1 3.91Å; E179-R312 PolarHBondContact OE2-NH1 2.92Å; E179-R312 IonicContact OE2-NH2 3.21Å; E179-R312 PolarHBondContact OE2-NH2 2.79Å
180L98.7Very high96.8Very high2 Ų226.8 Ų26.81%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-93110.6158.2173.962.8000108.4I151 L167 A170 L174 F182 F224 R257 L258I151-L180 HydrophobicContact CB-CD1 3.89Å; I151-L180 HydrophobicContact CG2-CD1 3.68Å; I151-L180 CarbonylContact O-C 3.59Å; I151-L180 WeakPolarHBondContact O-CA 3.29Å; L167-L180 HydrophobicContact CD2-CD2 3.55Å; A170-L180 HydrophobicContact CB-CD2 4.29Å; L174-L180 HydrophobicContact CD1-CB 4.22Å; L180-F182 HydrophobicContact CD1-CB 4.41Å; L180-F182 HydrophobicContact CD1-CD1 4.29Å; L180-F182 HydrophobicContact CD2-CD1 4.09Å; L180-F182 HydrophobicContact CD2-CE1 4.11Å; L180-F182 HydrophobicContact CG-CD1 3.77Å; L180-F182 HydrophobicContact CG-CE1 4.24Å; L180-F182 HydrophobicContact CG-CG 4.48Å; L180-F224 HydrophobicContact CB-CE1 4.12Å; L180-F224 HydrophobicContact CB-CZ 4.2Å; L180-F224 HydrophobicContact CD2-CE2 4.45Å; L180-F224 HydrophobicContact CD2-CZ 4.13Å; L180-R257 WeakPolarHBondContact O-CA 3.41Å; L180-L258 HydrophobicContact CB-CB 4.35Å; L180-L258 PolarHBondContact N-O 2.84Å; L180-L258 PolarHBondContact O-N 3.38Å
181Y98.1Very high96.7Very high16 Ų1627.3 Ų27.36%0.06314%0.138CC..EExtended strand (participates in β ladder)trans-116106.9179.7-172.2-81.7000109.1V63 P65 I151 I152 E179 V230 T255 Y256 R257V63-Y181 HydrophobicContact CG1-CD1 3.41Å; V63-Y181 VanDerWaalsContact CG1-CD1 3.41Å; V63-Y181 HydrophobicContact CG1-CE1 3.75Å; V63-Y181 WeakPolarHBondContact CG1-O 3.49Å; P65-Y181 HydrophobicContact CB-CD1 4.04Å; P65-Y181 HydrophobicContact CB-CD2 3.97Å; P65-Y181 HydrophobicContact CB-CE1 4.47Å; P65-Y181 HydrophobicContact CB-CE2 4.38Å; P65-Y181 HydrophobicContact CB-CG 3.79Å; P65-Y181 HydrophobicContact CG-CD1 4.18Å; P65-Y181 HydrophobicContact CG-CG 4.16Å; I151-Y181 PolarHBondContact O-N 2.95Å; I152-Y181 VanDerWaalsContact CA-O 3.26Å; I152-Y181 WeakPolarHBondContact CA-O 3.43Å; E179-Y181 WeakPolarHBondContact OE1-CD2 3.3Å; Y181-V230 HydrophobicContact CE2-CG2 4.09Å; Y181-T255 HydrophobicContact CD1-CG2 4.19Å; Y181-T255 HydrophobicContact CE1-CG2 3.5Å; Y181-T255 HydrophobicContact CE2-CG2 4.26Å; Y181-Y256 WeakPolarHBondContact CA-O 3.37Å; Y181-R257 HydrophobicContact CD2-CB 3.77Å; Y181-R257 HydrophobicContact CE2-CB 4.35Å
182F95.1Very high96.5Very high2 Ų227.8 Ų27.81%0.00915%0.147CC..EExtended strand (participates in β ladder)trans-143.9149.9-170.275.6-68.3000113.1S153 V157 L180 D184 Y186 L215 T255 Y256 L258S153-F182 VanDerWaalsContact O-CA 3.25Å; S153-F182 WeakPolarHBondContact O-CA 3.26Å; S153-F182 VanDerWaalsContact O-CB 3.3Å; S153-F182 WeakPolarHBondContact O-CB 3.49Å; V157-F182 HydrophobicContact CG2-CD2 4.15Å; V157-F182 HydrophobicContact CG2-CE2 4.36Å; L180-F182 HydrophobicContact CD1-CB 4.41Å; L180-F182 HydrophobicContact CD1-CD1 4.29Å; L180-F182 HydrophobicContact CD2-CD1 4.09Å; L180-F182 HydrophobicContact CD2-CE1 4.11Å; L180-F182 HydrophobicContact CG-CD1 3.77Å; L180-F182 HydrophobicContact CG-CE1 4.24Å; L180-F182 HydrophobicContact CG-CG 4.48Å; F182-D184 HydrophobicContact CD2-CB 4.32Å; F182-D184 HydrophobicContact CE2-CB 4.33Å; F182-Y186 WeakPolarHBondContact CE2-OH 3.45Å; F182-Y186 VanDerWaalsContact CZ-OH 3.27Å; F182-Y186 WeakPolarHBondContact CZ-OH 3.05Å; F182-L215 HydrophobicContact CZ-CD1 3.91Å; F182-L215 HydrophobicContact CZ-CD2 4.31Å; F182-T255 CarbonylContact O-C 3.55Å; F182-T255 WeakPolarHBondContact O-CA 3.25Å; F182-Y256 PolarHBondContact N-O 3.28Å; F182-Y256 PolarHBondContact O-N 3.41Å; F182-L258 HydrophobicContact CE1-CD1 3.81Å
183S92.3Very high96.2Very high9 Ų930.7 Ų30.76%0.06316%0.158CC..EExtended strand (participates in β ladder)trans-111.2134.3171.2-174.80000109.5S153 C155 S253 A254S153-S183 PolarHBondContact O-N 2.89Å; C155-S183 PolarHBondContact N-O 3.15Å; S183-S253 PolarHBondContact OG-OG 3.37Å; S183-A254 WeakPolarHBondContact CA-O 3.17Å
184D92.4Very high96Very high1 Ų137 Ų371%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-151.1172.3172.7-141.9-30.5000111.4V157 N158 F182 Y186 S253 A254V157-D184 WeakPolarHBondContact CA-OD2 3.25Å; V157-D184 WeakPolarHBondContact CB-OD2 3.26Å; V157-D184 PolarHBondContact N-OD2 2.72Å; V157-D184 VanDerWaalsContact N-OD2 3.17Å; N158-D184 VanDerWaalsContact CG-CG 3.46Å; N158-D184 VanDerWaalsContact CG-OD1 3.28Å; N158-D184 PolarHBondContact N-OD2 3.48Å; N158-D184 PolarHBondContact ND2-OD1 3.46Å; F182-D184 HydrophobicContact CD2-CB 4.32Å; F182-D184 HydrophobicContact CE2-CB 4.33Å; D184-Y186 HydrophobicContact CB-CE2 4.23Å; D184-Y186 VanDerWaalsContact O-CD2 3.31Å; D184-Y186 WeakPolarHBondContact O-CD2 3.38Å; D184-Y186 VanDerWaalsContact O-CE2 3.29Å; D184-Y186 WeakPolarHBondContact O-CE2 3.42Å; D184-S253 WeakPolarHBondContact O-CA 3.45Å; D184-A254 PolarHBondContact N-O 3.14Å; D184-A254 VanDerWaalsContact N-O 3.13Å; D184-A254 PolarHBondContact O-N 3.29Å
185V92.1Very high95.7Very high1 Ų137 Ų371%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-85.3134.9176.1-176.60000110.9N158 L206 A209 F251 V252N158-V185 PolarHBondContact ND2-N 3.48Å; N158-V185 PolarHBondContact ND2-O 3.23Å; V185-L206 HydrophobicContact CG1-CD2 3.94Å; V185-A209 HydrophobicContact CB-CB 4.47Å; V185-A209 HydrophobicContact CG1-CB 4.19Å; V185-F251 HydrophobicContact CG1-CB 3.99Å; V185-F251 HydrophobicContact CG1-CD1 3.83Å; V185-F251 HydrophobicContact CG1-CG 4.35Å; V185-V252 CarbonylContact C-O 3.59Å; V185-V252 WeakPolarHBondContact CA-O 3.32Å
186Y94.9Very high95.3Very high1 Ų137.8 Ų37.80%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-125144.1175.7-59.6-88.6000110.8F182 D184 L210 W212 L215 F251 V252 A254 Y256F182-Y186 WeakPolarHBondContact CE2-OH 3.45Å; F182-Y186 VanDerWaalsContact CZ-OH 3.27Å; F182-Y186 WeakPolarHBondContact CZ-OH 3.05Å; D184-Y186 HydrophobicContact CB-CE2 4.23Å; D184-Y186 VanDerWaalsContact O-CD2 3.31Å; D184-Y186 WeakPolarHBondContact O-CD2 3.38Å; D184-Y186 VanDerWaalsContact O-CE2 3.29Å; D184-Y186 WeakPolarHBondContact O-CE2 3.42Å; Y186-L210 VanDerWaalsContact CA-O 3.31Å; Y186-L210 WeakPolarHBondContact CA-O 3.32Å; Y186-L210 HydrophobicContact CD1-CB 4.1Å; Y186-L210 HydrophobicContact CE1-CB 4.34Å; Y186-W212 HydrophobicContact CD1-CB 4.24Å; Y186-W212 HydrophobicContact CG-CB 4.27Å; Y186-L215 HydrophobicContact CE1-CB 4.17Å; Y186-L215 HydrophobicContact CE1-CD2 3.8Å; Y186-L215 HydrophobicContact CE1-CG 4.43Å; Y186-L215 WeakPolarHBondContact OH-CD2 3.42Å; Y186-F251 CarbonylContact O-C 3.57Å; Y186-F251 VanDerWaalsContact O-CA 3.3Å; Y186-F251 WeakPolarHBondContact O-CA 3.33Å; Y186-V252 PolarHBondContact N-O 2.91Å; Y186-V252 PolarHBondContact O-N 3.38Å; Y186-A254 HydrophobicContact CD2-CB 3.77Å; Y186-A254 HydrophobicContact CE2-CB 3.93Å; Y186-Y256 HydrophobicContact CD2-CE2 4.15Å; Y186-Y256 HydrophobicContact CE1-CE2 4.47Å; Y186-Y256 AromaticContact CE2-CD2 3.76Å; Y186-Y256 HydrophobicContact CE2-CD2 3.76Å; Y186-Y256 AromaticContact CE2-CE2 3.66Å; Y186-Y256 HydrophobicContact CE2-CE2 3.66Å; Y186-Y256 AromaticContact CZ-CD2 3.78Å; Y186-Y256 AromaticContact CZ-CE2 3.84Å
187S96.4Very high94.9Very high0 Ų036.1 Ų36.10%018%0.182CC..EExtended strand (participates in β ladder)trans-97.6156.917957.20000111.7G189 L210 W211 W212 K250S187-G189 WeakPolarHBondContact CB-O 3.31Å; S187-G189 PolarHBondContact O-N 3.47Å; S187-G189 PolarHBondContact OG-O 3.47Å; S187-L210 PolarHBondContact N-O 2.85Å; S187-L210 PolarHBondContact OG-O 3.28Å; S187-W211 WeakPolarHBondContact OG-CA 3.31Å; S187-W211 PolarHBondContact OG-N 2.99Å; S187-W212 PolarHBondContact O-N 2.95Å; S187-K250 CarbonylContact C-O 3.52Å; S187-K250 WeakPolarHBondContact CA-O 3.39Å
188S96Very high94.4Very high47 Ų4738.6 Ų38.633%0.32919%0.191SC..SBendtrans-70.5-12.9177.256.20000113.6W211 K250 F341S188-W211 PolarHBondContact O-NE1 3.37Å; S188-K250 PolarHBondContact N-O 3.36Å; S188-K250 PolarHBondContact OG-N 3.38Å; S188-F341 VanDerWaalsContact N-CZ 3.33Å
189G96.4Very high93.8Very high16 Ų1644.3 Ų44.317%0.16522%0.215CC..SBendtrans-168.1175.2179.800000111.8S187 L191 W211S187-G189 WeakPolarHBondContact CB-O 3.31Å; S187-G189 PolarHBondContact O-N 3.47Å; S187-G189 PolarHBondContact OG-O 3.47Å; G189-L191 PolarHBondContact O-N 2.81Å; G189-W211 VanDerWaalsContact CA-CD1 3.5Å
190R96Very high93.2Very high155 Ų15546.6 Ų46.659%0.58523%0.229SC*.PPolyproline II helixtrans-66.2120.6178.2-68.6-179.7178.9149.22.7110.7W211 D214 F249R190-W211 HydrophobicContact CG-CB 4.14Å; R190-W211 HydrophobicContact CG-CD2 4.42Å; R190-W211 HydrophobicContact CG-CE3 3.88Å; R190-D214 IonicContact CZ-OD1 2.77Å; R190-D214 IonicContact CZ-OD2 2.81Å; R190-D214 IonicContact NE-OD1 2.69Å; R190-D214 PolarHBondContact NE-OD1 3.29Å; R190-D214 IonicContact NE-OD2 2.68Å; R190-D214 PolarHBondContact NE-OD2 3.14Å; R190-D214 IonicContact NH2-OD1 3.9Å; R190-D214 PolarHBondContact NH2-OD1 3Å; R190-D214 IonicContact NH2-OD2 3.15Å; R190-F249 WeakPolarHBondContact O-CE1 3.32Å; R190-F249 WeakPolarHBondContact O-CZ 3.48Å
191L95.2Very high92.6Very high10 Ų1046.5 Ų46.55%0.05223%0.228CC..PPolyproline II helixtrans-64.8150.7-178.5-57.2177.4000112G189 I195 K196 L206 A209 F249 F251G189-L191 PolarHBondContact O-N 2.81Å; L191-I195 HydrophobicContact CB-CB 4.35Å; L191-I195 HydrophobicContact CB-CG2 4.12Å; L191-I195 HydrophobicContact CD1-CG2 3.9Å; L191-I195 HydrophobicContact CD2-CD1 4.33Å; L191-I195 HydrophobicContact CD2-CG2 4.27Å; L191-I195 HydrophobicContact CG-CG2 4.32Å; L191-K196 HydrophobicContact CB-CG 4.29Å; L191-K196 VanDerWaalsContact O-CE 3.24Å; L191-K196 WeakPolarHBondContact O-CE 3.49Å; L191-L206 WeakPolarHBondContact CD1-O 3.31Å; L191-A209 HydrophobicContact CD1-CB 4.24Å; L191-A209 WeakPolarHBondContact CD1-O 3.26Å; L191-F249 HydrophobicContact CD2-CB 4.31Å; L191-F249 HydrophobicContact CD2-CD1 3.73Å; L191-F249 HydrophobicContact CD2-CD2 4.18Å; L191-F249 HydrophobicContact CD2-CE1 4.04Å; L191-F249 HydrophobicContact CD2-CE2 4.48Å; L191-F249 HydrophobicContact CD2-CG 3.81Å; L191-F249 HydrophobicContact CD2-CZ 4.42Å; L191-F251 HydrophobicContact CD1-CE1 4.46Å; L191-F251 HydrophobicContact CD2-CE1 4.07Å; L191-F251 HydrophobicContact CD2-CZ 3.89Å
192T94.8Very high92Very high63 Ų6347.3 Ų47.339%0.38723%0.231SC..PPolyproline II helixtrans-72.3158.9174.360.80000111.4E194 I195 K196 F249T192-E194 PolarHBondContact O-N 3.13Å; T192-I195 PolarHBondContact O-N 3.32Å; T192-I195 WeakPolarHBondContact OG1-CD1 3.42Å; T192-I195 WeakPolarHBondContact OG1-CG1 3.21Å; T192-I195 PolarHBondContact OG1-N 3.38Å; T192-K196 WeakPolarHBondContact O-CG 3.48Å; T192-K196 PolarHBondContact O-N 3.48Å; T192-F249 HydrophobicContact CG2-CE2 4.15Å
193E92.8Very high91.2Very high115 Ų11547.4 Ų47.454%0.53723%0.233SC..Hα-helixtrans-63.3-28.6174.7-65.7-54.7122.300112.3K196 N197E193-K196 PolarHBondContact O-N 2.9Å; E193-K196 WeakPolarHBondContact OE1-CD 3.46Å; E193-K196 IonicContact OE1-NZ 2.71Å; E193-K196 PolarHBondContact OE1-NZ 3.15Å; E193-N197 VanDerWaalsContact O-CB 3.31Å; E193-N197 WeakPolarHBondContact O-CB 3.43Å; E193-N197 VanDerWaalsContact O-CG 3.3Å; E193-N197 PolarHBondContact O-N 3.4Å; E193-N197 PolarHBondContact O-ND2 2.9Å
194E93.2Very high90.6Very high136 Ų13647.4 Ų47.464%0.63623%0.232SC*.Hα-helixtrans-60-49.3172.7-177.7174.3-167.100111.5T192 N197 H198 V245T192-E194 PolarHBondContact O-N 3.13Å; E194-N197 PolarHBondContact O-N 3.02Å; E194-H198 PolarHBondContact O-N 3.33Å; E194-V245 HydrophobicContact CG-CG1 4.32Å
195I92.8Very high90.2Very high1 Ų147.6 Ų47.61%0.00523%0.233CC..Hα-helixtrans-64-45177.8-68.7167.1000111L191 T192 N197 H198 L201 V245 L246 F249L191-I195 HydrophobicContact CB-CB 4.35Å; L191-I195 HydrophobicContact CB-CG2 4.12Å; L191-I195 HydrophobicContact CD1-CG2 3.9Å; L191-I195 HydrophobicContact CD2-CD1 4.33Å; L191-I195 HydrophobicContact CD2-CG2 4.27Å; L191-I195 HydrophobicContact CG-CG2 4.32Å; T192-I195 PolarHBondContact O-N 3.32Å; T192-I195 WeakPolarHBondContact OG1-CD1 3.42Å; T192-I195 WeakPolarHBondContact OG1-CG1 3.21Å; T192-I195 PolarHBondContact OG1-N 3.38Å; I195-N197 VanDerWaalsContact C-N 3.32Å; I195-N197 PolarHBondContact O-N 3Å; I195-H198 WeakPolarHBondContact O-CB 3.33Å; I195-H198 PolarHBondContact O-N 3.44Å; I195-L201 HydrophobicContact CG2-CD1 4.06Å; I195-V245 HydrophobicContact CG1-CG1 4.13Å; I195-V245 WeakPolarHBondContact CG1-O 3.36Å; I195-L246 HydrophobicContact CD1-CD2 4.19Å; I195-L246 HydrophobicContact CG1-CD2 4.3Å; I195-L246 HydrophobicContact CG2-CD2 4.08Å; I195-F249 HydrophobicContact CD1-CD2 3.43Å; I195-F249 VanDerWaalsContact CD1-CD2 3.43Å; I195-F249 HydrophobicContact CD1-CE2 3.7Å; I195-F249 HydrophobicContact CD1-CG 4.38Å
196K90.3Very high90.1Very high76 Ų7647.6 Ų47.633%0.3323%0.233SC..Hα-helixtrans-63.8-35.6-179-68.2176.8-166164.30113.1L191 T192 E193 H198L191-K196 HydrophobicContact CB-CG 4.29Å; L191-K196 VanDerWaalsContact O-CE 3.24Å; L191-K196 WeakPolarHBondContact O-CE 3.49Å; T192-K196 WeakPolarHBondContact O-CG 3.48Å; T192-K196 PolarHBondContact O-N 3.48Å; E193-K196 PolarHBondContact O-N 2.9Å; E193-K196 WeakPolarHBondContact OE1-CD 3.46Å; E193-K196 IonicContact OE1-NZ 2.71Å; E193-K196 PolarHBondContact OE1-NZ 3.15Å; K196-H198 VanDerWaalsContact C-N 3.32Å
197N89.7Confident89.8Confident97 Ų9747.6 Ų47.652%0.51923%0.233SC..Hα-helixtrans-85.2-4.3180-68.6-53000113.1E193 E194 I195 K199E193-N197 VanDerWaalsContact O-CB 3.31Å; E193-N197 WeakPolarHBondContact O-CB 3.43Å; E193-N197 VanDerWaalsContact O-CG 3.3Å; E193-N197 PolarHBondContact O-N 3.4Å; E193-N197 PolarHBondContact O-ND2 2.9Å; E194-N197 PolarHBondContact O-N 3.02Å; I195-N197 VanDerWaalsContact C-N 3.32Å; I195-N197 PolarHBondContact O-N 3Å; N197-K199 PolarHBondContact O-N 2.92Å
198H88.9Confident89.6Confident59 Ų5947.9 Ų47.927%0.27324%0.237SC..  trans-79.4103.9179.9-167.2-61.7000111.4E194 I195 K196 V200 L201 W202E194-H198 PolarHBondContact O-N 3.33Å; I195-H198 WeakPolarHBondContact O-CB 3.33Å; I195-H198 PolarHBondContact O-N 3.44Å; K196-H198 VanDerWaalsContact C-N 3.32Å; H198-V200 VanDerWaalsContact C-N 3.3Å; H198-V200 PolarHBondContact ND1-N 3.07Å; H198-V200 PolarHBondContact O-N 3.19Å; H198-V200 VanDerWaalsContact O-N 3.12Å; H198-L201 HydrophobicContact CB-CB 4.14Å; H198-L201 HydrophobicContact CB-CD1 3.89Å; H198-L201 HydrophobicContact CB-CG 4.15Å; H198-L201 PolarHBondContact ND1-N 3.41Å; H198-L201 PolarHBondContact O-N 3.22Å; H198-W202 PolarHBondContact O-N 3.39Å
199K85.8Confident89.5Confident123 Ų12346 Ų4654%0.53522%0.224SC..Hα-helixtrans-52.6-39.5-173.2-63-164.8176.4-135.60115.2D11 N197 G203D11-K199 VanDerWaalsContact CG-NZ 3.25Å; D11-K199 IonicContact OD1-NZ 2.76Å; D11-K199 PolarHBondContact OD1-NZ 3.41Å; D11-K199 WeakPolarHBondContact OD2-CE 3.47Å; D11-K199 IonicContact OD2-NZ 2.69Å; D11-K199 PolarHBondContact OD2-NZ 3.48Å; N197-K199 PolarHBondContact O-N 2.92Å; K199-G203 PolarHBondContact O-N 3.32Å
200V84.9Confident89.4Confident48 Ų4846.4 Ų46.429%0.29122%0.222SC..Hα-helixtrans-68-47178.1-177.20000111.3K27 H198 W202 G203 E204 L242K27-V200 HydrophobicContact CD-CG1 4.29Å; H198-V200 VanDerWaalsContact C-N 3.3Å; H198-V200 PolarHBondContact ND1-N 3.07Å; H198-V200 PolarHBondContact O-N 3.19Å; H198-V200 VanDerWaalsContact O-N 3.12Å; V200-W202 VanDerWaalsContact C-N 3.26Å; V200-W202 PolarHBondContact O-N 2.91Å; V200-G203 PolarHBondContact O-N 3.04Å; V200-E204 HydrophobicContact CG1-CG 4.34Å; V200-E204 VanDerWaalsContact O-CG 3.28Å; V200-E204 WeakPolarHBondContact O-CG 3.43Å; V200-E204 PolarHBondContact O-N 2.95Å; V200-L242 HydrophobicContact CG1-CD1 4.38Å; V200-L242 HydrophobicContact CG1-CD2 4.35Å
201L86.3Confident89.4Confident0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-61-38.9177.2-67.6176.9000110.7I195 H198 E204 C205 L206 G207 L242 V245 L246I195-L201 HydrophobicContact CG2-CD1 4.06Å; H198-L201 HydrophobicContact CB-CB 4.14Å; H198-L201 HydrophobicContact CB-CD1 3.89Å; H198-L201 HydrophobicContact CB-CG 4.15Å; H198-L201 PolarHBondContact ND1-N 3.41Å; H198-L201 PolarHBondContact O-N 3.22Å; L201-E204 CarbonylContact O-C 3.6Å; L201-E204 PolarHBondContact O-N 3.08Å; L201-C205 PolarHBondContact O-N 3.33Å; L201-L206 HydrophobicContact CB-CB 4.37Å; L201-L206 HydrophobicContact CD2-CB 4.24Å; L201-L206 HydrophobicContact CD2-CD1 3.94Å; L201-L206 WeakPolarHBondContact O-CA 3.47Å; L201-L206 PolarHBondContact O-N 2.89Å; L201-G207 VanDerWaalsContact C-N 3.28Å; L201-G207 PolarHBondContact O-N 3.2Å; L201-L242 HydrophobicContact CD2-CB 4.13Å; L201-L242 HydrophobicContact CD2-CD1 4.16Å; L201-L242 HydrophobicContact CD2-CD2 3.86Å; L201-L242 HydrophobicContact CD2-CG 4.27Å; L201-L242 HydrophobicContact CG-CD2 4.13Å; L201-V245 HydrophobicContact CD1-CB 4.36Å; L201-V245 HydrophobicContact CD1-CG1 3.79Å; L201-L246 HydrophobicContact CD1-CD2 3.81Å; L201-L246 HydrophobicContact CD1-CG 4.22Å; L201-L246 HydrophobicContact CD2-CD1 4.15Å; L201-L246 HydrophobicContact CD2-CD2 4.09Å; L201-L246 HydrophobicContact CD2-CG 4.15Å
202W85.6Confident89.4Confident34 Ų3442.1 Ų42.113%0.12921%0.206CC..Hα-helixtrans-62.1-48.8174.6-168.1-80.7000112.3V8 L159 H198 V200 E204 C205V8-W202 HydrophobicContact CG1-CH2 4.4Å; V8-W202 HydrophobicContact CG1-CZ2 3.46Å; V8-W202 VanDerWaalsContact CG1-CZ2 3.46Å; L159-W202 WeakPolarHBondContact CD2-O 3.26Å; H198-W202 PolarHBondContact O-N 3.39Å; V200-W202 VanDerWaalsContact C-N 3.26Å; V200-W202 PolarHBondContact O-N 2.91Å; W202-E204 PolarHBondContact O-N 3.47Å; W202-C205 PolarHBondContact O-N 2.89Å
203G79.3Confident89.5Confident4 Ų443.8 Ų43.84%0.04121%0.207CC..Hα-helixtrans-61.1-30.4178.300000113.6Y15 Y16 K199 V200 C205Y15-G203 WeakPolarHBondContact CE1-O 3.27Å; Y16-G203 PolarHBondContact OH-O 3.31Å; K199-G203 PolarHBondContact O-N 3.32Å; V200-G203 PolarHBondContact O-N 3.04Å; G203-C205 VanDerWaalsContact C-N 3.26Å; G203-C205 PolarHBondContact O-N 3.44Å
204E79.9Confident89.6Confident8 Ų839.6 Ų39.64%0.03719%0.189CC..THydrogen-bonded Turntrans-86.814.1175.3-62.1-77142.800113Y15 K27 T28 V200 L201 W202 L206Y15-E204 PolarHBondContact OH-OE1 3.41Å; K27-E204 PolarHBondContact N-OE1 2.89Å; K27-E204 PolarHBondContact N-OE2 3.35Å; T28-E204 WeakPolarHBondContact CB-OE2 3.49Å; T28-E204 HydrophobicContact CG2-CB 4.2Å; T28-E204 HydrophobicContact CG2-CG 3.99Å; T28-E204 PolarHBondContact N-OE2 3.45Å; T28-E204 PolarHBondContact OG1-OE2 3.04Å; V200-E204 HydrophobicContact CG1-CG 4.34Å; V200-E204 VanDerWaalsContact O-CG 3.28Å; V200-E204 WeakPolarHBondContact O-CG 3.43Å; V200-E204 PolarHBondContact O-N 2.95Å; L201-E204 CarbonylContact O-C 3.6Å; L201-E204 PolarHBondContact O-N 3.08Å; W202-E204 PolarHBondContact O-N 3.47Å; E204-L206 HydrophobicContact CB-CG 4.43Å; E204-L206 PolarHBondContact O-N 2.85Å
205C83.9Confident89.8Confident6 Ų633.2 Ų33.24%0.04116%0.159CC..THydrogen-bonded Turntrans62.36.6-179.2-54.60000115.8C155 L201 W202 G203C155-C205 PolarHBondContact O-SG 3.04Å; L201-C205 PolarHBondContact O-N 3.33Å; W202-C205 PolarHBondContact O-N 2.89Å; G203-C205 VanDerWaalsContact C-N 3.26Å; G203-C205 PolarHBondContact O-N 3.44Å
206L88.2Confident89.8Confident0 Ų034.8 Ų34.80%017%0.167CC..SBendtrans-84.2-43.9179-60-178.7000112.3T28 A30 V185 L191 L201 E204 G208 A209 V235 V237 L246 F251T28-L206 HydrophobicContact CG2-CD1 4.15Å; A30-L206 HydrophobicContact CB-CD2 4.31Å; V185-L206 HydrophobicContact CG1-CD2 3.94Å; L191-L206 WeakPolarHBondContact CD1-O 3.31Å; L201-L206 HydrophobicContact CB-CB 4.37Å; L201-L206 HydrophobicContact CD2-CB 4.24Å; L201-L206 HydrophobicContact CD2-CD1 3.94Å; L201-L206 WeakPolarHBondContact O-CA 3.47Å; L201-L206 PolarHBondContact O-N 2.89Å; E204-L206 HydrophobicContact CB-CG 4.43Å; E204-L206 PolarHBondContact O-N 2.85Å; L206-G208 PolarHBondContact O-N 3.39Å; L206-A209 VanDerWaalsContact O-CB 3.24Å; L206-A209 WeakPolarHBondContact O-CB 3.46Å; L206-A209 PolarHBondContact O-N 3.41Å; L206-A209 VanDerWaalsContact O-N 3.08Å; L206-V235 HydrophobicContact CD2-CG1 4.17Å; L206-V237 HydrophobicContact CD1-CG2 3.7Å; L206-L246 HydrophobicContact CD1-CD1 4.28Å; L206-F251 HydrophobicContact CB-CE1 4.34Å; L206-F251 HydrophobicContact CD2-CB 4.38Å; L206-F251 HydrophobicContact CD2-CD1 3.91Å; L206-F251 HydrophobicContact CD2-CE1 4.32Å; L206-F251 HydrophobicContact CD2-CG 4.01Å
207G90.3Very high90.1Very high1 Ų135.6 Ų35.61%0.0117%0.172CC..THydrogen-bonded Turntrans-67.4-28-176.400000112.9L201L201-G207 VanDerWaalsContact C-N 3.28Å; L201-G207 PolarHBondContact O-N 3.2Å
208G91.3Very high90.4Very high7 Ų732.3 Ų32.37%0.07215%0.154CC..THydrogen-bonded Turntrans-91.7-0.1174.400000114.2N158 K163 L206 L210N158-G208 WeakPolarHBondContact O-CA 3.46Å; N158-G208 PolarHBondContact OD1-O 3.32Å; K163-G208 WeakPolarHBondContact CE-O 3.35Å; K163-G208 PolarHBondContact NZ-O 2.65Å; L206-G208 PolarHBondContact O-N 3.39Å; G208-L210 PolarHBondContact O-N 3.23Å
209A93.4Very high90.8Very high8 Ų829.5 Ų29.57%0.06614%0.141CC..PPolyproline II helixtrans-63.7129-171.800000112.5V185 L191 L206 F251V185-A209 HydrophobicContact CB-CB 4.47Å; V185-A209 HydrophobicContact CG1-CB 4.19Å; L191-A209 HydrophobicContact CD1-CB 4.24Å; L191-A209 WeakPolarHBondContact CD1-O 3.26Å; L206-A209 VanDerWaalsContact O-CB 3.24Å; L206-A209 WeakPolarHBondContact O-CB 3.46Å; L206-A209 PolarHBondContact O-N 3.41Å; L206-A209 VanDerWaalsContact O-N 3.08Å; A209-F251 HydrophobicContact CB-CD1 4.17Å; A209-F251 HydrophobicContact CB-CE1 4Å
210L94.4Very high91.3Very high23 Ų2330.3 Ų30.312%0.1215%0.147CC..EExtended strand (participates in β ladder)trans-67.9142.7172.5-78173.4000111.2N158 K163 Y186 S187 G208 W212 L218N158-L210 PolarHBondContact OD1-N 2.68Å; K163-L210 HydrophobicContact CB-CD1 4.49Å; K163-L210 HydrophobicContact CD-CD1 3.8Å; K163-L210 HydrophobicContact CD-CD2 3.44Å; K163-L210 VanDerWaalsContact CD-CD2 3.44Å; K163-L210 HydrophobicContact CD-CG 3.45Å; K163-L210 VanDerWaalsContact CD-CG 3.45Å; Y186-L210 VanDerWaalsContact CA-O 3.31Å; Y186-L210 WeakPolarHBondContact CA-O 3.32Å; Y186-L210 HydrophobicContact CD1-CB 4.1Å; Y186-L210 HydrophobicContact CE1-CB 4.34Å; S187-L210 PolarHBondContact N-O 2.85Å; S187-L210 PolarHBondContact OG-O 3.28Å; G208-L210 PolarHBondContact O-N 3.23Å; L210-W212 PolarHBondContact O-N 2.87Å; L210-L218 HydrophobicContact CD1-CD1 4.26Å; L210-L218 HydrophobicContact CD2-CD1 4.26Å
211W96.3Very high91.8Very high60 Ų6032.4 Ų32.423%0.22715%0.154CC..EExtended strand (participates in β ladder)trans-62.3127.9156.9177.232.6000108.2S187 S188 G189 R190 K213 D214S187-W211 WeakPolarHBondContact OG-CA 3.31Å; S187-W211 PolarHBondContact OG-N 2.99Å; S188-W211 PolarHBondContact O-NE1 3.37Å; G189-W211 VanDerWaalsContact CA-CD1 3.5Å; R190-W211 HydrophobicContact CG-CB 4.14Å; R190-W211 HydrophobicContact CG-CD2 4.42Å; R190-W211 HydrophobicContact CG-CE3 3.88Å; W211-K213 HydrophobicContact CD2-CB 3.9Å; W211-K213 HydrophobicContact CD2-CG 4.41Å; W211-K213 HydrophobicContact CE3-CB 4.13Å; W211-K213 HydrophobicContact CH2-CB 4.01Å; W211-K213 HydrophobicContact CH2-CD 3.91Å; W211-K213 HydrophobicContact CH2-CG 4.32Å; W211-K213 HydrophobicContact CZ2-CB 3.78Å; W211-K213 HydrophobicContact CZ2-CD 3.41Å; W211-K213 VanDerWaalsContact CZ2-CD 3.41Å; W211-K213 HydrophobicContact CZ2-CG 3.69Å; W211-K213 HydrophobicContact CZ3-CB 4.16Å; W211-K213 PolarHBondContact O-N 2.96Å; W211-D214 HydrophobicContact CB-CB 4.46Å; W211-D214 WeakPolarHBondContact O-CB 3.25Å; W211-D214 PolarHBondContact O-N 3Å
212W95.4Very high92.4Very high16 Ų1633.8 Ų33.86%0.06116%0.162CC..Hα-helixtrans-56.3-29.6-173.370.5-94.1000114.1Y186 S187 L210 L215 L216 T337 D339 P340 F341Y186-W212 HydrophobicContact CD1-CB 4.24Å; Y186-W212 HydrophobicContact CG-CB 4.27Å; S187-W212 PolarHBondContact O-N 2.95Å; L210-W212 PolarHBondContact O-N 2.87Å; W212-L215 WeakPolarHBondContact O-CB 3.28Å; W212-L215 PolarHBondContact O-N 3.43Å; W212-L216 HydrophobicContact CE3-CD1 4.33Å; W212-L216 HydrophobicContact CZ3-CD1 3.95Å; W212-T337 HydrophobicContact CZ3-CG2 4.19Å; W212-D339 HydrophobicContact CH2-CB 4.21Å; W212-D339 HydrophobicContact CZ2-CB 4.01Å; W212-D339 WeakPolarHBondContact CZ2-OD2 3.46Å; W212-P340 HydrophobicContact CB-CG 3.85Å; W212-P340 HydrophobicContact CD2-CG 4.15Å; W212-P340 HydrophobicContact CG-CG 3.85Å; W212-F341 AromaticContact CD1-CE2 3.76Å
213K95.9Very high92.9Very high98 Ų9832.4 Ų32.443%0.42616%0.158SC..Hα-helixtrans-73.1-29.6175.7-60.1-163.7-169.2175.10113.3W211 L215 L216 Q217W211-K213 HydrophobicContact CD2-CB 3.9Å; W211-K213 HydrophobicContact CD2-CG 4.41Å; W211-K213 HydrophobicContact CE3-CB 4.13Å; W211-K213 HydrophobicContact CH2-CB 4.01Å; W211-K213 HydrophobicContact CH2-CD 3.91Å; W211-K213 HydrophobicContact CH2-CG 4.32Å; W211-K213 HydrophobicContact CZ2-CB 3.78Å; W211-K213 HydrophobicContact CZ2-CD 3.41Å; W211-K213 VanDerWaalsContact CZ2-CD 3.41Å; W211-K213 HydrophobicContact CZ2-CG 3.69Å; W211-K213 HydrophobicContact CZ3-CB 4.16Å; W211-K213 PolarHBondContact O-N 2.96Å; K213-L215 PolarHBondContact O-N 3.32Å; K213-L216 WeakPolarHBondContact O-CB 3.19Å; K213-L216 PolarHBondContact O-N 2.97Å; K213-L216 VanDerWaalsContact O-N 3.16Å; K213-Q217 PolarHBondContact O-N 3.21Å
214D96.1Very high93.8Very high26 Ų2632.6 Ų32.614%0.13916%0.158CC..Hα-helixtrans-65.9-27.9176-71.8-23.4000110.5R190 W211 L216 Q217 L218R190-D214 IonicContact CZ-OD1 2.77Å; R190-D214 IonicContact CZ-OD2 2.81Å; R190-D214 IonicContact NE-OD1 2.69Å; R190-D214 PolarHBondContact NE-OD1 3.29Å; R190-D214 IonicContact NE-OD2 2.68Å; R190-D214 PolarHBondContact NE-OD2 3.14Å; R190-D214 IonicContact NH2-OD1 3.9Å; R190-D214 PolarHBondContact NH2-OD1 3Å; R190-D214 IonicContact NH2-OD2 3.15Å; W211-D214 HydrophobicContact CB-CB 4.46Å; W211-D214 WeakPolarHBondContact O-CB 3.25Å; W211-D214 PolarHBondContact O-N 3Å; D214-L216 VanDerWaalsContact C-N 3.35Å; D214-L216 PolarHBondContact O-N 3.31Å; D214-Q217 PolarHBondContact O-N 3.45Å; D214-L218 WeakPolarHBondContact O-CB 3.27Å; D214-L218 VanDerWaalsContact O-CG 3.24Å; D214-L218 WeakPolarHBondContact O-CG 3.39Å; D214-L218 PolarHBondContact O-N 3Å
215L96.3Very high94.6Very high2 Ų232.6 Ų32.61%0.0116%0.159CC..Hα-helixtrans-60.1-43.7171.7177.567000112L167 F182 Y186 W212 K213 Q217 L218 A219 P227 Y256L167-L215 HydrophobicContact CD1-CD1 4.26Å; F182-L215 HydrophobicContact CZ-CD1 3.91Å; F182-L215 HydrophobicContact CZ-CD2 4.31Å; Y186-L215 HydrophobicContact CE1-CB 4.17Å; Y186-L215 HydrophobicContact CE1-CD2 3.8Å; Y186-L215 HydrophobicContact CE1-CG 4.43Å; Y186-L215 WeakPolarHBondContact OH-CD2 3.42Å; W212-L215 WeakPolarHBondContact O-CB 3.28Å; W212-L215 PolarHBondContact O-N 3.43Å; K213-L215 PolarHBondContact O-N 3.32Å; L215-Q217 VanDerWaalsContact C-N 3.31Å; L215-Q217 PolarHBondContact O-N 3.18Å; L215-L218 PolarHBondContact O-N 2.89Å; L215-A219 VanDerWaalsContact O-CB 3.27Å; L215-A219 WeakPolarHBondContact O-CB 3.17Å; L215-A219 PolarHBondContact O-N 3.17Å; L215-P227 HydrophobicContact CD2-CB 4.22Å; L215-P227 HydrophobicContact CD2-CG 4.44Å; L215-P227 HydrophobicContact CG-CG 4.2Å; L215-Y256 HydrophobicContact CD2-CD1 4.19Å; L215-Y256 HydrophobicContact CD2-CD2 3.72Å; L215-Y256 HydrophobicContact CD2-CE1 4.38Å; L215-Y256 HydrophobicContact CD2-CE2 3.92Å; L215-Y256 HydrophobicContact CD2-CG 3.86Å
216L94.5Very high95Very high34 Ų3435.6 Ų35.618%0.17817%0.172CC..Hα-helixtrans-60.3-45.1-179.9-53.6174.1000110.6W212 K213 D214 E220 P227 T337W212-L216 HydrophobicContact CE3-CD1 4.33Å; W212-L216 HydrophobicContact CZ3-CD1 3.95Å; K213-L216 WeakPolarHBondContact O-CB 3.19Å; K213-L216 PolarHBondContact O-N 2.97Å; K213-L216 VanDerWaalsContact O-N 3.16Å; D214-L216 VanDerWaalsContact C-N 3.35Å; D214-L216 PolarHBondContact O-N 3.31Å; L216-E220 PolarHBondContact O-N 2.99Å; L216-E220 VanDerWaalsContact O-N 3.14Å; L216-P227 HydrophobicContact CD2-CB 4.02Å; L216-P227 HydrophobicContact CD2-CG 3.88Å; L216-T337 HydrophobicContact CD1-CG2 3.72Å; L216-T337 HydrophobicContact CD2-CG2 3.84Å; L216-T337 HydrophobicContact CG-CG2 4.43Å
217Q95.6Very high95.4Very high93 Ų9335.9 Ų35.944%0.43517%0.174SC..Hα-helixtrans-64.2-48.5177.6-177.7-179.9-1000111.3K213 D214 L215 A219 E220 E221K213-Q217 PolarHBondContact O-N 3.21Å; D214-Q217 PolarHBondContact O-N 3.45Å; L215-Q217 VanDerWaalsContact C-N 3.31Å; L215-Q217 PolarHBondContact O-N 3.18Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 3.07Å; Q217-E220 PolarHBondContact O-N 2.85Å; Q217-E221 HydrophobicContact CG-CG 4.41Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.28Å; Q217-E221 PolarHBondContact NE2-OE1 3.26Å; Q217-E221 WeakPolarHBondContact O-CB 3.43Å; Q217-E221 WeakPolarHBondContact O-CG 3.27Å; Q217-E221 PolarHBondContact O-N 3.24Å
218L97.2Very high95.7Very high29 Ų2936.3 Ų36.315%0.15218%0.176CC..Hα-helixtrans-62.5-41.2-179.5-71.8174.1000112.2K164 L167 L210 D214 L215 E221 V222K164-L218 HydrophobicContact CB-CD2 3.89Å; K164-L218 HydrophobicContact CD-CD2 4.08Å; K164-L218 HydrophobicContact CG-CD2 4.05Å; L167-L218 HydrophobicContact CD1-CB 3.84Å; L210-L218 HydrophobicContact CD1-CD1 4.26Å; L210-L218 HydrophobicContact CD2-CD1 4.26Å; D214-L218 WeakPolarHBondContact O-CB 3.27Å; D214-L218 VanDerWaalsContact O-CG 3.24Å; D214-L218 WeakPolarHBondContact O-CG 3.39Å; D214-L218 PolarHBondContact O-N 3Å; L215-L218 PolarHBondContact O-N 2.89Å; L218-E221 PolarHBondContact O-N 2.92Å; L218-V222 WeakPolarHBondContact O-CB 3.26Å; L218-V222 VanDerWaalsContact O-CG2 3.32Å; L218-V222 WeakPolarHBondContact O-CG2 3.44Å; L218-V222 PolarHBondContact O-N 3.39Å
219A96.6Very high95.9Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-60.5-45.4176.600000111.5L215 Q217 V222 G223 F224 P227 L258L215-A219 VanDerWaalsContact O-CB 3.27Å; L215-A219 WeakPolarHBondContact O-CB 3.17Å; L215-A219 PolarHBondContact O-N 3.17Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 3.07Å; A219-V222 PolarHBondContact O-N 2.88Å; A219-G223 PolarHBondContact O-N 3.18Å; A219-F224 HydrophobicContact CB-CB 4.18Å; A219-F224 PolarHBondContact O-N 3.03Å; A219-P227 HydrophobicContact CB-CG 3.52Å; A219-L258 HydrophobicContact CB-CD2 3.73Å
220E95.3Very high96Very high140 Ų14036.3 Ų36.365%0.65417%0.173SC*.Hα-helixtrans-62.3-47176.8-179176.7-167.300112.1L216 Q217 V222 G223L216-E220 PolarHBondContact O-N 2.99Å; L216-E220 VanDerWaalsContact O-N 3.14Å; Q217-E220 PolarHBondContact O-N 2.85Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 2.74Å; E220-G223 PolarHBondContact O-N 3.16Å
221E97Very high95.8Very high92 Ų9237 Ų3743%0.4318%0.178SC..Hα-helixtrans-60.4-39.3179-76180-167.400112.4K164 Q217 L218K164-E221 WeakPolarHBondContact CE-OE2 3.47Å; K164-E221 IonicContact NZ-OE2 3.65Å; K164-E221 PolarHBondContact NZ-OE2 3.08Å; Q217-E221 HydrophobicContact CG-CG 4.41Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.28Å; Q217-E221 PolarHBondContact NE2-OE1 3.26Å; Q217-E221 WeakPolarHBondContact O-CB 3.43Å; Q217-E221 WeakPolarHBondContact O-CG 3.27Å; Q217-E221 PolarHBondContact O-N 3.24Å; L218-E221 PolarHBondContact O-N 2.92Å
222V97.9Very high95.6Very high28 Ų2834.1 Ų34.117%0.1717%0.167CC..Hα-helixtrans-74-38.1177.8167.50000111.5K164 L167 A168 Y171 L218 A219 E220 F224K164-V222 HydrophobicContact CG-CG2 4.35Å; L167-V222 HydrophobicContact CB-CG2 4.01Å; A168-V222 HydrophobicContact CB-CG1 4.44Å; A168-V222 HydrophobicContact CB-CG2 4.3Å; Y171-V222 HydrophobicContact CD2-CG1 4.26Å; Y171-V222 HydrophobicContact CG-CG1 3.93Å; L218-V222 WeakPolarHBondContact O-CB 3.26Å; L218-V222 VanDerWaalsContact O-CG2 3.32Å; L218-V222 WeakPolarHBondContact O-CG2 3.44Å; L218-V222 PolarHBondContact O-N 3.39Å; A219-V222 PolarHBondContact O-N 2.88Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 2.74Å; V222-F224 HydrophobicContact CB-CD2 4.29Å; V222-F224 HydrophobicContact CG1-CD2 3.83Å; V222-F224 HydrophobicContact CG1-CE2 3.85Å
223G97.1Very high95.3Very high5 Ų535.2 Ų35.25%0.05218%0.176CC..THydrogen-bonded Turntrans123.73.2177.100000115.9Y171 A219 E220 K263Y171-G223 VanDerWaalsContact CE2-C 3.41Å; Y171-G223 WeakPolarHBondContact CE2-O 3.38Å; A219-G223 PolarHBondContact O-N 3.18Å; E220-G223 PolarHBondContact O-N 3.16Å; G223-K263 WeakPolarHBondContact O-CE 3.37Å
224F97.8Very high95Very high8 Ų834.6 Ų34.64%0.03518%0.18CC..PPolyproline II helixtrans-63.9162.8174-75.3-74000112.2L167 A170 Y171 L174 L180 A219 V222 L258L167-F224 HydrophobicContact CB-CE2 4.27Å; L167-F224 WeakPolarHBondContact O-CE2 3.39Å; A170-F224 HydrophobicContact CB-CZ 4.41Å; Y171-F224 AromaticContact CD2-CD1 3.82Å; Y171-F224 HydrophobicContact CD2-CD1 3.82Å; Y171-F224 HydrophobicContact CD2-CD2 4.03Å; Y171-F224 AromaticContact CD2-CE1 3.84Å; Y171-F224 HydrophobicContact CD2-CE1 3.84Å; Y171-F224 HydrophobicContact CD2-CE2 4.05Å; Y171-F224 AromaticContact CD2-CG 3.92Å; Y171-F224 HydrophobicContact CD2-CG 3.92Å; Y171-F224 AromaticContact CD2-CZ 3.96Å; Y171-F224 HydrophobicContact CD2-CZ 3.96Å; Y171-F224 HydrophobicContact CE2-CD1 4.46Å; Y171-F224 HydrophobicContact CG-CE2 4.38Å; Y171-F224 HydrophobicContact CG-CZ 4.32Å; L174-F224 HydrophobicContact CD1-CE1 3.69Å; L174-F224 HydrophobicContact CD1-CZ 4.17Å; L180-F224 HydrophobicContact CB-CE1 4.12Å; L180-F224 HydrophobicContact CB-CZ 4.2Å; L180-F224 HydrophobicContact CD2-CE2 4.45Å; L180-F224 HydrophobicContact CD2-CZ 4.13Å; A219-F224 HydrophobicContact CB-CB 4.18Å; A219-F224 PolarHBondContact O-N 3.03Å; V222-F224 HydrophobicContact CB-CD2 4.29Å; V222-F224 HydrophobicContact CG1-CD2 3.83Å; V222-F224 HydrophobicContact CG1-CE2 3.85Å; F224-L258 HydrophobicContact CB-CB 4.14Å; F224-L258 HydrophobicContact CB-CD2 4.17Å; F224-L258 HydrophobicContact CB-CG 4.44Å; F224-L258 HydrophobicContact CD1-CB 3.75Å; F224-L258 HydrophobicContact CD2-CD2 4.07Å; F224-L258 HydrophobicContact CE1-CB 4.28Å; F224-L258 HydrophobicContact CG-CB 3.97Å; F224-L258 HydrophobicContact CG-CD2 4.05Å
225S95.5Very high94.6Very high9 Ų933.7 Ų33.76%0.06318%0.176CC..PPolyproline II helixtrans-56.8166.9160.570.90000111.1P227 F259S225-P227 WeakPolarHBondContact O-CD 3.5Å; S225-F259 PolarHBondContact N-O 2.96Å; S225-F259 PolarHBondContact OG-N 3.12Å
226Q93.6Very high94Very high68 Ų6835.9 Ų35.932%0.31819%0.194SC..PPolyproline II helixtrans-54.1130.4167.2-168.3-18045.900109.3R228 E303 T337Q226-R228 WeakPolarHBondContact O-CG 3.44Å; Q226-R228 PolarHBondContact O-N 2.78Å; Q226-E303 WeakPolarHBondContact CB-OE1 3.33Å; Q226-E303 WeakPolarHBondContact CB-OE2 3.49Å; Q226-E303 PolarHBondContact N-OE1 2.85Å; Q226-T337 PolarHBondContact NE2-OG1 3.34Å
227P96.5Very high93.4Very high7 Ų735 Ų355%0.04519%0.19CC..PPolyproline II helixtrans-57.6126.3175-28.637.1000111.3L215 L216 A219 S225 Y256 L258L215-P227 HydrophobicContact CD2-CB 4.22Å; L215-P227 HydrophobicContact CD2-CG 4.44Å; L215-P227 HydrophobicContact CG-CG 4.2Å; L216-P227 HydrophobicContact CD2-CB 4.02Å; L216-P227 HydrophobicContact CD2-CG 3.88Å; A219-P227 HydrophobicContact CB-CG 3.52Å; S225-P227 WeakPolarHBondContact O-CD 3.5Å; P227-Y256 HydrophobicContact CB-CD1 3.73Å; P227-Y256 HydrophobicContact CB-CE1 4.2Å; P227-Y256 HydrophobicContact CB-CG 4.49Å; P227-L258 HydrophobicContact CB-CD1 3.66Å; P227-L258 HydrophobicContact CB-CG 4.02Å; P227-L258 HydrophobicContact CG-CD1 4.08Å; P227-L258 HydrophobicContact CG-CD2 4.12Å; P227-L258 HydrophobicContact CG-CG 3.94Å
228R95.9Very high92.7Very high9 Ų936.8 Ų36.83%0.03420%0.202CC..EExtended strand (participates in β ladder)trans-101.6120.3178-43.2-16687.283.8-0.7109.7Q226 Y256 R257 D287 D301 E303Q226-R228 WeakPolarHBondContact O-CG 3.44Å; Q226-R228 PolarHBondContact O-N 2.78Å; R228-Y256 WeakPolarHBondContact O-CA 3.17Å; R228-R257 HydrophobicContact CB-CG 3.82Å; R228-R257 PolarHBondContact N-O 3.05Å; R228-R257 PolarHBondContact O-N 2.83Å; R228-D287 HydrophobicContact CB-CB 4.01Å; R228-D287 WeakPolarHBondContact CD-OD2 3.41Å; R228-D287 IonicContact CZ-OD2 2.77Å; R228-D287 IonicContact NE-OD2 3.31Å; R228-D287 PolarHBondContact NE-OD2 2.95Å; R228-D287 IonicContact NH2-OD2 3.48Å; R228-D301 IonicContact NH2-OD2 3.74Å; R228-E303 IonicContact NH1-OE2 3.19Å; R228-E303 PolarHBondContact NH1-OE2 2.97Å
229L96.3Very high92.1Very high7 Ų737.8 Ų37.84%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-77.6124.5-179.2178.162.3000110.1T231 A232 A254 Y256 D287 C288 M338 P340 L343L229-T231 WeakPolarHBondContact CD1-O 3.41Å; L229-A232 HydrophobicContact CD1-CB 4.41Å; L229-A254 HydrophobicContact CD1-CB 3.79Å; L229-Y256 HydrophobicContact CB-CD1 4.13Å; L229-Y256 HydrophobicContact CB-CE1 3.65Å; L229-Y256 HydrophobicContact CD1-CD1 4.39Å; L229-Y256 HydrophobicContact CD1-CD2 4.4Å; L229-Y256 HydrophobicContact CD1-CE1 3.93Å; L229-Y256 HydrophobicContact CD1-CE2 3.93Å; L229-Y256 HydrophobicContact CG-CE1 4.33Å; L229-D287 WeakPolarHBondContact O-CB 3.31Å; L229-C288 WeakPolarHBondContact O-CB 3.43Å; L229-C288 PolarHBondContact O-N 2.96Å; L229-C288 PolarHBondContact O-SG 3.41Å; L229-M338 HydrophobicContact CD2-CB 4.14Å; L229-M338 HydrophobicContact CD2-CG 3.9Å; L229-P340 HydrophobicContact CD1-CB 4.23Å; L229-P340 HydrophobicContact CD2-CB 3.91Å; L229-L343 HydrophobicContact CD1-CD2 4.33Å; L229-L343 HydrophobicContact CD2-CB 3.96Å; L229-L343 HydrophobicContact CD2-CD2 3.48Å; L229-L343 VanDerWaalsContact CD2-CD2 3.48Å; L229-L343 HydrophobicContact CD2-CG 4.36Å; L229-L343 HydrophobicContact CG-CD2 3.6Å
230V94.1Very high91.6Very high8 Ų844.9 Ų44.95%0.04824%0.239CC..EExtended strand (participates in β ladder)trans-98.6-55.8-177.4-172.30000110.9Y181 T255 R257Y181-V230 HydrophobicContact CE2-CG2 4.09Å; V230-T255 HydrophobicContact CB-CG2 4.22Å; V230-T255 WeakPolarHBondContact CB-O 3.34Å; V230-T255 HydrophobicContact CG2-CG2 4.42Å; V230-T255 PolarHBondContact N-O 2.95Å; V230-R257 HydrophobicContact CG2-CB 4.35Å; V230-R257 HydrophobicContact CG2-CG 3.79Å
231T91.4Very high91.2Very high37 Ų3745.4 Ų45.423%0.22724%0.241CC..EExtended strand (participates in β ladder)trans-141.2156.6177.362.50000110.1L229 A254 T255L229-T231 WeakPolarHBondContact CD1-O 3.41Å; T231-A254 VanDerWaalsContact O-CA 3.31Å; T231-A254 WeakPolarHBondContact O-CA 3.12Å; T231-T255 PolarHBondContact O-N 3.44Å; T231-T255 PolarHBondContact OG1-OG1 3.18Å
232A91.5Very high90.8Very high0 Ų041.3 Ų41.30%022%0.222CC..EExtended strand (participates in β ladder)trans-146.7141.1172.700000110.2L229 S253 A254 P340 L343 A344L229-A232 HydrophobicContact CD1-CB 4.41Å; A232-S253 CarbonylContact C-O 3.5Å; A232-S253 VanDerWaalsContact CA-O 3.28Å; A232-S253 WeakPolarHBondContact CA-O 3.4Å; A232-A254 HydrophobicContact CB-CB 4.22Å; A232-P340 HydrophobicContact CB-CB 4.09Å; A232-P340 WeakPolarHBondContact CB-O 3.43Å; A232-L343 HydrophobicContact CB-CB 4.18Å; A232-L343 HydrophobicContact CB-CD2 4.11Å; A232-L343 HydrophobicContact CB-CG 4.26Å; A232-A344 HydrophobicContact CB-CB 4.02Å; A232-A344 WeakPolarHBondContact O-CA 3.3Å
233T89.2Confident90.3Very high40 Ų4044.3 Ų44.325%0.24524%0.235CC..EExtended strand (participates in β ladder)trans-136.9139.5175.1-430000110.2V32 V235 V252 S253V32-T233 HydrophobicContact CB-CG2 4.44Å; V32-T233 HydrophobicContact CG1-CG2 3.49Å; V32-T233 VanDerWaalsContact CG1-CG2 3.49Å; T233-V235 PolarHBondContact O-N 2.68Å; T233-V252 CarbonylContact O-C 3.56Å; T233-V252 VanDerWaalsContact O-CA 3.29Å; T233-V252 WeakPolarHBondContact O-CA 3.46Å; T233-S253 PolarHBondContact N-O 2.85Å; T233-S253 PolarHBondContact O-N 3.26Å
234V90.1Very high90Very high84 Ų8449.9 Ų49.951%0.50926%0.263SS..EExtended strand (participates in β ladder)trans-65133177.9179.80000109.7A344V234-A344 HydrophobicContact CG2-CB 3.86Å
235V86.8Confident89.7Confident8 Ų851 Ų515%0.04827%0.271CS..EExtended strand (participates in β ladder)trans-93.3116172.3165.20000108.4A30 V32 L206 T233 F251A30-V235 VanDerWaalsContact CA-CG1 3.5Å; A30-V235 HydrophobicContact CB-CG1 3.91Å; V32-V235 HydrophobicContact CG2-CG2 3.96Å; L206-V235 HydrophobicContact CD2-CG1 4.17Å; T233-V235 PolarHBondContact O-N 2.68Å; V235-F251 HydrophobicContact CB-CB 3.88Å; V235-F251 HydrophobicContact CG1-CB 4.13Å; V235-F251 PolarHBondContact N-O 3.24Å
236A84.3Confident89.5Confident47 Ų4751 Ų5139%0.38827%0.27SS..  trans-87.5134.7173.800000110.4G29G29-A236 WeakPolarHBondContact CA-O 3.27Å; G29-A236 PolarHBondContact N-O 3.23Å
237V81.9Confident89.4Confident17 Ų1750.1 Ų50.110%0.10328%0.279CS..  trans-112.3104.4171.9-1780000107T28 L206 L242 Q243 L246T28-V237 HydrophobicContact CG2-CG1 4.36Å; L206-V237 HydrophobicContact CD1-CG2 3.7Å; V237-L242 HydrophobicContact CG1-CB 3.91Å; V237-Q243 HydrophobicContact CG1-CG 4.43Å; V237-Q243 WeakPolarHBondContact O-CG 3.27Å; V237-Q243 PolarHBondContact O-NE2 3.13Å; V237-L246 HydrophobicContact CB-CD1 4.16Å; V237-L246 HydrophobicContact CG1-CD1 3.91Å; V237-L246 HydrophobicContact CG2-CD1 3.83Å
238D80.7Confident89.3Confident129 Ų12957.4 Ų57.469%0.6932%0.318SS*.  trans-88.7-13.7-174.7-60.5-38.9000113.2K240D238-K240 PolarHBondContact O-N 3.16Å
239N84.9Confident89.2Confident51 Ų5159.5 Ų59.527%0.27333%0.327SS..  trans-76.5115.6178.7-177-54.4000110.4E241 L242 Q243N239-E241 PolarHBondContact O-N 2.99Å; N239-E241 WeakPolarHBondContact OD1-CB 3.49Å; N239-E241 PolarHBondContact OD1-N 2.84Å; N239-L242 HydrophobicContact CB-CB 4.11Å; N239-L242 HydrophobicContact CB-CD1 3.93Å; N239-L242 HydrophobicContact CB-CG 3.96Å; N239-L242 PolarHBondContact O-N 3.24Å; N239-L242 VanDerWaalsContact O-N 3.16Å; N239-L242 PolarHBondContact OD1-N 3.07Å; N239-L242 VanDerWaalsContact OD1-N 3.08Å; N239-Q243 WeakPolarHBondContact O-CG 3.16Å; N239-Q243 PolarHBondContact O-N 3.2Å
240K86.5Confident89.1Confident149 Ų14965.9 Ų65.965%0.64836%0.355SS*.Hα-helixtrans-61.5-39.6-177-168.9175.2-179.3-179.30113.9D238 L242 Q243 D244D238-K240 PolarHBondContact O-N 3.16Å; K240-L242 VanDerWaalsContact C-N 3.27Å; K240-L242 PolarHBondContact O-N 3.39Å; K240-Q243 WeakPolarHBondContact O-CB 3.49Å; K240-Q243 PolarHBondContact O-N 2.82Å; K240-D244 PolarHBondContact O-N 3.45Å
241E86.9Confident89.1Confident150 Ų15065.8 Ų65.870%0.70135%0.354SS*.Hα-helixtrans-63.6-38.2177.5-60.3176.1174.200110.8N239 V245N239-E241 PolarHBondContact O-N 2.99Å; N239-E241 WeakPolarHBondContact OD1-CB 3.49Å; N239-E241 PolarHBondContact OD1-N 2.84Å; E241-V245 WeakPolarHBondContact O-CG2 3.24Å; E241-V245 PolarHBondContact O-N 2.93Å
242L87.2Confident89.2Confident7 Ų764 Ų644%0.03734%0.343CS..Hα-helixtrans-71.5-37.8175.1-61.2-176.1000111.7T28 V200 L201 V237 N239 K240 D244 V245 L246T28-L242 HydrophobicContact CG2-CD1 3.77Å; V200-L242 HydrophobicContact CG1-CD1 4.38Å; V200-L242 HydrophobicContact CG1-CD2 4.35Å; L201-L242 HydrophobicContact CD2-CB 4.13Å; L201-L242 HydrophobicContact CD2-CD1 4.16Å; L201-L242 HydrophobicContact CD2-CD2 3.86Å; L201-L242 HydrophobicContact CD2-CG 4.27Å; L201-L242 HydrophobicContact CG-CD2 4.13Å; V237-L242 HydrophobicContact CG1-CB 3.91Å; N239-L242 HydrophobicContact CB-CB 4.11Å; N239-L242 HydrophobicContact CB-CD1 3.93Å; N239-L242 HydrophobicContact CB-CG 3.96Å; N239-L242 PolarHBondContact O-N 3.24Å; N239-L242 VanDerWaalsContact O-N 3.16Å; N239-L242 PolarHBondContact OD1-N 3.07Å; N239-L242 VanDerWaalsContact OD1-N 3.08Å; K240-L242 VanDerWaalsContact C-N 3.27Å; K240-L242 PolarHBondContact O-N 3.39Å; L242-D244 VanDerWaalsContact C-N 3.3Å; L242-D244 PolarHBondContact O-N 3.28Å; L242-V245 PolarHBondContact O-N 3.25Å; L242-L246 WeakPolarHBondContact O-CB 3.34Å; L242-L246 WeakPolarHBondContact O-CG 3.41Å; L242-L246 PolarHBondContact O-N 2.84Å
243Q88.6Confident89.2Confident91 Ų9165 Ų6543%0.42535%0.35SS..Hα-helixtrans-59.1-41.7174.5-72.8176.9-16.200111.8V237 N239 K240 V245 L246 G247V237-Q243 HydrophobicContact CG1-CG 4.43Å; V237-Q243 WeakPolarHBondContact O-CG 3.27Å; V237-Q243 PolarHBondContact O-NE2 3.13Å; N239-Q243 WeakPolarHBondContact O-CG 3.16Å; N239-Q243 PolarHBondContact O-N 3.2Å; K240-Q243 WeakPolarHBondContact O-CB 3.49Å; K240-Q243 PolarHBondContact O-N 2.82Å; Q243-V245 VanDerWaalsContact C-N 3.3Å; Q243-V245 PolarHBondContact O-N 3.06Å; Q243-L246 PolarHBondContact O-N 3.3Å; Q243-G247 PolarHBondContact O-N 3.31Å
244D90.4Very high89.4Confident122 Ų12263.1 Ų63.165%0.65234%0.338SS*.Hα-helixtrans-61.8-39179.2-69-22.5000111.6K240 L242K240-D244 PolarHBondContact O-N 3.45Å; L242-D244 VanDerWaalsContact C-N 3.3Å; L242-D244 PolarHBondContact O-N 3.28Å
245V91.3Very high89.6Confident32 Ų3259.8 Ų59.819%0.19432%0.318CS..Hα-helixtrans-72.1-37.1175.5179.20000111.8E194 I195 L201 E241 L242 Q243E194-V245 HydrophobicContact CG-CG1 4.32Å; I195-V245 HydrophobicContact CG1-CG1 4.13Å; I195-V245 WeakPolarHBondContact CG1-O 3.36Å; L201-V245 HydrophobicContact CD1-CB 4.36Å; L201-V245 HydrophobicContact CD1-CG1 3.79Å; E241-V245 WeakPolarHBondContact O-CG2 3.24Å; E241-V245 PolarHBondContact O-N 2.93Å; L242-V245 PolarHBondContact O-N 3.25Å; Q243-V245 VanDerWaalsContact C-N 3.3Å; Q243-V245 PolarHBondContact O-N 3.06Å
246L91.9Very high90.1Very high7 Ų759.4 Ų59.44%0.03732%0.316CS..Hα-helixtrans-75.2-23.9-178.7-70.8174.2000113.2I195 L201 L206 V237 L242 Q243 D248 F249 F251I195-L246 HydrophobicContact CD1-CD2 4.19Å; I195-L246 HydrophobicContact CG1-CD2 4.3Å; I195-L246 HydrophobicContact CG2-CD2 4.08Å; L201-L246 HydrophobicContact CD1-CD2 3.81Å; L201-L246 HydrophobicContact CD1-CG 4.22Å; L201-L246 HydrophobicContact CD2-CD1 4.15Å; L201-L246 HydrophobicContact CD2-CD2 4.09Å; L201-L246 HydrophobicContact CD2-CG 4.15Å; L206-L246 HydrophobicContact CD1-CD1 4.28Å; V237-L246 HydrophobicContact CB-CD1 4.16Å; V237-L246 HydrophobicContact CG1-CD1 3.91Å; V237-L246 HydrophobicContact CG2-CD1 3.83Å; L242-L246 WeakPolarHBondContact O-CB 3.34Å; L242-L246 WeakPolarHBondContact O-CG 3.41Å; L242-L246 PolarHBondContact O-N 2.84Å; Q243-L246 PolarHBondContact O-N 3.3Å; L246-D248 PolarHBondContact O-N 3.36Å; L246-F249 WeakPolarHBondContact O-CB 3.42Å; L246-F249 VanDerWaalsContact O-CD2 3.26Å; L246-F249 WeakPolarHBondContact O-CD2 3.28Å; L246-F249 PolarHBondContact O-N 2.77Å; L246-F249 VanDerWaalsContact O-N 3.15Å; L246-F251 HydrophobicContact CD1-CE2 3.96Å; L246-F251 HydrophobicContact CD2-CE2 3.63Å; L246-F251 HydrophobicContact CD2-CZ 3.58Å; L246-F251 HydrophobicContact CG-CE2 4.24Å
247G91.6Very high90.7Very high51 Ų5157.2 Ų57.253%0.52630%0.297SS..THydrogen-bonded Turntrans53.7-128.4-178.100000112.3Q243 F249Q243-G247 PolarHBondContact O-N 3.31Å; G247-F249 VanDerWaalsContact C-N 3.32Å; G247-F249 PolarHBondContact O-N 2.88Å
248D93Very high91.4Very high160 Ų16056.4 Ų56.486%0.85629%0.292SS*.THydrogen-bonded Turntrans-85.42.1-177.6-65.8-38.2000114.3L246 K250L246-D248 PolarHBondContact O-N 3.36Å; D248-K250 PolarHBondContact O-N 3.16Å
249F95.2Very high92.3Very high53 Ų5350.2 Ų50.223%0.23226%0.259CS..  trans-66127.7178.5-75.6-73.8000110.7R190 L191 T192 I195 L246 G247 F251R190-F249 WeakPolarHBondContact O-CE1 3.32Å; R190-F249 WeakPolarHBondContact O-CZ 3.48Å; L191-F249 HydrophobicContact CD2-CB 4.31Å; L191-F249 HydrophobicContact CD2-CD1 3.73Å; L191-F249 HydrophobicContact CD2-CD2 4.18Å; L191-F249 HydrophobicContact CD2-CE1 4.04Å; L191-F249 HydrophobicContact CD2-CE2 4.48Å; L191-F249 HydrophobicContact CD2-CG 3.81Å; L191-F249 HydrophobicContact CD2-CZ 4.42Å; T192-F249 HydrophobicContact CG2-CE2 4.15Å; I195-F249 HydrophobicContact CD1-CD2 3.43Å; I195-F249 VanDerWaalsContact CD1-CD2 3.43Å; I195-F249 HydrophobicContact CD1-CE2 3.7Å; I195-F249 HydrophobicContact CD1-CG 4.38Å; L246-F249 WeakPolarHBondContact O-CB 3.42Å; L246-F249 VanDerWaalsContact O-CD2 3.26Å; L246-F249 WeakPolarHBondContact O-CD2 3.28Å; L246-F249 PolarHBondContact O-N 2.77Å; L246-F249 VanDerWaalsContact O-N 3.15Å; G247-F249 VanDerWaalsContact C-N 3.32Å; G247-F249 PolarHBondContact O-N 2.88Å; F249-F251 HydrophobicContact CB-CE2 3.86Å; F249-F251 HydrophobicContact CB-CZ 4.04Å
250K94.4Very high92.9Very high141 Ų14148.4 Ų48.461%0.61325%0.249SC*.  trans-103.4150.8173.7-58.8-179.9-176.5177.90109.4S187 S188 D248 F341S187-K250 CarbonylContact C-O 3.52Å; S187-K250 WeakPolarHBondContact CA-O 3.39Å; S188-K250 PolarHBondContact N-O 3.36Å; S188-K250 PolarHBondContact OG-N 3.38Å; D248-K250 PolarHBondContact O-N 3.16Å; K250-F341 HydrophobicContact CB-CD1 4.17Å; K250-F341 HydrophobicContact CB-CE1 3.56Å; K250-F341 HydrophobicContact CB-CZ 4.39Å; K250-F341 WeakPolarHBondContact O-CZ 3.45Å
251F93.6Very high93.4Very high6 Ų642 Ų423%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-127.4144.3-178.6-62.3-91.3000111.5V185 Y186 L191 L206 A209 V235 L246 F249V185-F251 HydrophobicContact CG1-CB 3.99Å; V185-F251 HydrophobicContact CG1-CD1 3.83Å; V185-F251 HydrophobicContact CG1-CG 4.35Å; Y186-F251 CarbonylContact O-C 3.57Å; Y186-F251 VanDerWaalsContact O-CA 3.3Å; Y186-F251 WeakPolarHBondContact O-CA 3.33Å; L191-F251 HydrophobicContact CD1-CE1 4.46Å; L191-F251 HydrophobicContact CD2-CE1 4.07Å; L191-F251 HydrophobicContact CD2-CZ 3.89Å; L206-F251 HydrophobicContact CB-CE1 4.34Å; L206-F251 HydrophobicContact CD2-CB 4.38Å; L206-F251 HydrophobicContact CD2-CD1 3.91Å; L206-F251 HydrophobicContact CD2-CE1 4.32Å; L206-F251 HydrophobicContact CD2-CG 4.01Å; A209-F251 HydrophobicContact CB-CD1 4.17Å; A209-F251 HydrophobicContact CB-CE1 4Å; V235-F251 HydrophobicContact CB-CB 3.88Å; V235-F251 HydrophobicContact CG1-CB 4.13Å; V235-F251 PolarHBondContact N-O 3.24Å; L246-F251 HydrophobicContact CD1-CE2 3.96Å; L246-F251 HydrophobicContact CD2-CE2 3.63Å; L246-F251 HydrophobicContact CD2-CZ 3.58Å; L246-F251 HydrophobicContact CG-CE2 4.24Å; F249-F251 HydrophobicContact CB-CE2 3.86Å; F249-F251 HydrophobicContact CB-CZ 4.04Å
252V92.6Very high93.6Very high0 Ų038.3 Ų38.30%021%0.212CC..EExtended strand (participates in β ladder)trans-133.3137.7172.9-740000109.3V185 Y186 T233 P340 F341 A344V185-V252 CarbonylContact C-O 3.59Å; V185-V252 WeakPolarHBondContact CA-O 3.32Å; Y186-V252 PolarHBondContact N-O 2.91Å; Y186-V252 PolarHBondContact O-N 3.38Å; T233-V252 CarbonylContact O-C 3.56Å; T233-V252 VanDerWaalsContact O-CA 3.29Å; T233-V252 WeakPolarHBondContact O-CA 3.46Å; V252-P340 HydrophobicContact CG2-CB 3.92Å; V252-P340 HydrophobicContact CG2-CG 4.02Å; V252-F341 HydrophobicContact CB-CE1 4.27Å; V252-F341 HydrophobicContact CB-CZ 4.39Å; V252-F341 HydrophobicContact CG1-CD1 3.45Å; V252-F341 VanDerWaalsContact CG1-CD1 3.45Å; V252-F341 HydrophobicContact CG1-CD2 4.49Å; V252-F341 HydrophobicContact CG1-CE1 3.55Å; V252-F341 HydrophobicContact CG1-CG 3.95Å; V252-F341 HydrophobicContact CG1-CZ 4.11Å; V252-F341 HydrophobicContact CG2-CD1 4.37Å; V252-F341 HydrophobicContact CG2-CD2 4.13Å; V252-F341 HydrophobicContact CG2-CE1 4.01Å; V252-F341 HydrophobicContact CG2-CE2 3.73Å; V252-F341 HydrophobicContact CG2-CG 4.41Å; V252-F341 HydrophobicContact CG2-CZ 3.66Å; V252-A344 HydrophobicContact CG1-CB 4.09Å
253S91.6Very high93.4Very high20 Ų2045.2 Ų45.214%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-84.3121.9163.1-179.10000107.1S183 D184 A232 T233S183-S253 PolarHBondContact OG-OG 3.37Å; D184-S253 WeakPolarHBondContact O-CA 3.45Å; A232-S253 CarbonylContact C-O 3.5Å; A232-S253 VanDerWaalsContact CA-O 3.28Å; A232-S253 WeakPolarHBondContact CA-O 3.4Å; T233-S253 PolarHBondContact N-O 2.85Å; T233-S253 PolarHBondContact O-N 3.26Å
254A92.9Very high92.6Very high0 Ų043.8 Ų43.80%025%0.251CS..EExtended strand (participates in β ladder)trans-131.7138.9-178.400000111.6S183 D184 Y186 L229 T231 A232 Y256 P340S183-A254 WeakPolarHBondContact CA-O 3.17Å; D184-A254 PolarHBondContact N-O 3.14Å; D184-A254 VanDerWaalsContact N-O 3.13Å; D184-A254 PolarHBondContact O-N 3.29Å; Y186-A254 HydrophobicContact CD2-CB 3.77Å; Y186-A254 HydrophobicContact CE2-CB 3.93Å; L229-A254 HydrophobicContact CD1-CB 3.79Å; T231-A254 VanDerWaalsContact O-CA 3.31Å; T231-A254 WeakPolarHBondContact O-CA 3.12Å; A232-A254 HydrophobicContact CB-CB 4.22Å; A254-Y256 HydrophobicContact CB-CD2 4.2Å; A254-Y256 HydrophobicContact CB-CE2 3.73Å; A254-P340 HydrophobicContact CB-CB 4.12Å
255T94.8Very high91.5Very high14 Ų1448.5 Ų48.59%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-97.5124173.2-56.80000109.3Y181 F182 V230 T231Y181-T255 HydrophobicContact CD1-CG2 4.19Å; Y181-T255 HydrophobicContact CE1-CG2 3.5Å; Y181-T255 HydrophobicContact CE2-CG2 4.26Å; F182-T255 CarbonylContact O-C 3.55Å; F182-T255 WeakPolarHBondContact O-CA 3.25Å; V230-T255 HydrophobicContact CB-CG2 4.22Å; V230-T255 WeakPolarHBondContact CB-O 3.34Å; V230-T255 HydrophobicContact CG2-CG2 4.42Å; V230-T255 PolarHBondContact N-O 2.95Å; T231-T255 PolarHBondContact O-N 3.44Å; T231-T255 PolarHBondContact OG1-OG1 3.18Å
256Y96.6Very high90.5Very high1 Ų149.7 Ų49.70%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-116.8150.7175.6-76.7-86.2000111.4Y181 F182 Y186 L215 P227 R228 L229 A254Y181-Y256 WeakPolarHBondContact CA-O 3.37Å; F182-Y256 PolarHBondContact N-O 3.28Å; F182-Y256 PolarHBondContact O-N 3.41Å; Y186-Y256 HydrophobicContact CD2-CE2 4.15Å; Y186-Y256 HydrophobicContact CE1-CE2 4.47Å; Y186-Y256 AromaticContact CE2-CD2 3.76Å; Y186-Y256 HydrophobicContact CE2-CD2 3.76Å; Y186-Y256 AromaticContact CE2-CE2 3.66Å; Y186-Y256 HydrophobicContact CE2-CE2 3.66Å; Y186-Y256 AromaticContact CZ-CD2 3.78Å; Y186-Y256 AromaticContact CZ-CE2 3.84Å; L215-Y256 HydrophobicContact CD2-CD1 4.19Å; L215-Y256 HydrophobicContact CD2-CD2 3.72Å; L215-Y256 HydrophobicContact CD2-CE1 4.38Å; L215-Y256 HydrophobicContact CD2-CE2 3.92Å; L215-Y256 HydrophobicContact CD2-CG 3.86Å; P227-Y256 HydrophobicContact CB-CD1 3.73Å; P227-Y256 HydrophobicContact CB-CE1 4.2Å; P227-Y256 HydrophobicContact CB-CG 4.49Å; R228-Y256 WeakPolarHBondContact O-CA 3.17Å; L229-Y256 HydrophobicContact CB-CD1 4.13Å; L229-Y256 HydrophobicContact CB-CE1 3.65Å; L229-Y256 HydrophobicContact CD1-CD1 4.39Å; L229-Y256 HydrophobicContact CD1-CD2 4.4Å; L229-Y256 HydrophobicContact CD1-CE1 3.93Å; L229-Y256 HydrophobicContact CD1-CE2 3.93Å; L229-Y256 HydrophobicContact CG-CE1 4.33Å; A254-Y256 HydrophobicContact CB-CD2 4.2Å; A254-Y256 HydrophobicContact CB-CE2 3.73Å
257R97.4Very high90.1Very high0 Ų057.4 Ų57.40%031%0.307CS..EExtended strand (participates in β ladder)trans-121.5125.816858.3-167.8-21.5158.412.6111.2E66 E179 L180 Y181 R228 V230 F259 F286E66-R257 IonicContact OE2-CZ 3.54Å; E66-R257 IonicContact OE2-NH1 2.7Å; E66-R257 PolarHBondContact OE2-NH1 3.43Å; E66-R257 IonicContact OE2-NH2 3.54Å; E66-R257 PolarHBondContact OE2-NH2 2.98Å; E179-R257 HydrophobicContact CG-CB 4.38Å; E179-R257 WeakPolarHBondContact OE1-CB 3.47Å; E179-R257 IonicContact OE1-CZ 3.55Å; E179-R257 IonicContact OE1-NE 3.74Å; E179-R257 PolarHBondContact OE1-NE 3.43Å; E179-R257 IonicContact OE1-NH2 3.51Å; E179-R257 PolarHBondContact OE1-NH2 3.05Å; E179-R257 IonicContact OE2-NH2 2.98Å; L180-R257 WeakPolarHBondContact O-CA 3.41Å; Y181-R257 HydrophobicContact CD2-CB 3.77Å; Y181-R257 HydrophobicContact CE2-CB 4.35Å; R228-R257 HydrophobicContact CB-CG 3.82Å; R228-R257 PolarHBondContact N-O 3.05Å; R228-R257 PolarHBondContact O-N 2.83Å; V230-R257 HydrophobicContact CG2-CB 4.35Å; V230-R257 HydrophobicContact CG2-CG 3.79Å; R257-F259 HydrophobicContact CB-CE2 4.03Å; R257-F259 HydrophobicContact CG-CE2 3.93Å; R257-F286 WeakPolarHBondContact CD-O 3.5Å; R257-F286 PolarHBondContact NH1-O 3.41Å
258L98.1Very high89.9Confident0 Ų058.4 Ų58.40%030%0.303CS..EExtended strand (participates in β ladder)trans-123.9130.1-178.1-76.464.8000108.2E179 L180 F182 A219 F224 P227E179-L258 CarbonylContact C-O 3.57Å; E179-L258 WeakPolarHBondContact CA-O 3.22Å; L180-L258 HydrophobicContact CB-CB 4.35Å; L180-L258 PolarHBondContact N-O 2.84Å; L180-L258 PolarHBondContact O-N 3.38Å; F182-L258 HydrophobicContact CE1-CD1 3.81Å; A219-L258 HydrophobicContact CB-CD2 3.73Å; F224-L258 HydrophobicContact CB-CB 4.14Å; F224-L258 HydrophobicContact CB-CD2 4.17Å; F224-L258 HydrophobicContact CB-CG 4.44Å; F224-L258 HydrophobicContact CD1-CB 3.75Å; F224-L258 HydrophobicContact CD2-CD2 4.07Å; F224-L258 HydrophobicContact CE1-CB 4.28Å; F224-L258 HydrophobicContact CG-CB 3.97Å; F224-L258 HydrophobicContact CG-CD2 4.05Å; P227-L258 HydrophobicContact CB-CD1 3.66Å; P227-L258 HydrophobicContact CB-CG 4.02Å; P227-L258 HydrophobicContact CG-CD1 4.08Å; P227-L258 HydrophobicContact CG-CD2 4.12Å; P227-L258 HydrophobicContact CG-CG 3.94Å
259F98.4Very high89.7Confident0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-112.6143.8-175.3-68.2-95.1000111.9G178 E179 S225 R257 V261 F286 I307 F313G178-F259 WeakPolarHBondContact O-CA 3.5Å; E179-F259 HydrophobicContact CB-CD1 3.89Å; E179-F259 HydrophobicContact CB-CE1 3.69Å; E179-F259 HydrophobicContact CB-CZ 4.3Å; E179-F259 HydrophobicContact CG-CD1 4.15Å; E179-F259 HydrophobicContact CG-CE1 3.72Å; E179-F259 HydrophobicContact CG-CE2 4.3Å; E179-F259 HydrophobicContact CG-CZ 3.8Å; E179-F259 WeakPolarHBondContact OE1-CZ 3.37Å; S225-F259 PolarHBondContact N-O 2.96Å; S225-F259 PolarHBondContact OG-N 3.12Å; R257-F259 HydrophobicContact CB-CE2 4.03Å; R257-F259 HydrophobicContact CG-CE2 3.93Å; F259-V261 HydrophobicContact CB-CG1 3.97Å; F259-V261 HydrophobicContact CB-CG2 4.27Å; F259-V261 PolarHBondContact O-N 3.08Å; F259-F286 HydrophobicContact CE2-CE2 4.15Å; F259-F286 AromaticContact CE2-CZ 3.83Å; F259-F286 HydrophobicContact CE2-CZ 3.83Å; F259-F286 AromaticContact CZ-CE2 3.87Å; F259-F286 HydrophobicContact CZ-CE2 3.87Å; F259-F286 AromaticContact CZ-CZ 3.99Å; F259-F286 HydrophobicContact CZ-CZ 3.99Å; F259-I307 HydrophobicContact CB-CD1 4.43Å; F259-I307 HydrophobicContact CB-CG1 4.09Å; F259-I307 HydrophobicContact CB-CG2 4.34Å; F259-I307 HydrophobicContact CD1-CG2 3.61Å; F259-I307 HydrophobicContact CD2-CD1 3.81Å; F259-I307 HydrophobicContact CD2-CG1 4.12Å; F259-I307 HydrophobicContact CD2-CG2 3.63Å; F259-I307 HydrophobicContact CE1-CG2 3.67Å; F259-I307 HydrophobicContact CE2-CD1 4.43Å; F259-I307 HydrophobicContact CE2-CG2 3.7Å; F259-I307 HydrophobicContact CG-CB 4.49Å; F259-I307 HydrophobicContact CG-CD1 4.31Å; F259-I307 HydrophobicContact CG-CG1 4.12Å; F259-I307 HydrophobicContact CG-CG2 3.58Å; F259-I307 HydrophobicContact CZ-CG2 3.72Å; F259-F313 HydrophobicContact CE1-CD2 4.43Å; F259-F313 HydrophobicContact CE1-CE2 4.02Å; F259-F313 AromaticContact CZ-CE2 3.96Å; F259-F313 HydrophobicContact CZ-CE2 3.96Å
260K98.3Very high89.7Confident12 Ų1252.1 Ų52.15%0.05227%0.271CS..  trans-90.490.1167.9177.2169.3172.8-178.10108.9N146 Y171 L174 D176 G177 G178N146-K260 PolarHBondContact OD1-NZ 3.34Å; Y171-K260 HydrophobicContact CD1-CD 4.41Å; Y171-K260 HydrophobicContact CD2-CB 4.3Å; Y171-K260 HydrophobicContact CD2-CD 4.26Å; Y171-K260 HydrophobicContact CD2-CG 4.25Å; Y171-K260 HydrophobicContact CE1-CD 4.18Å; Y171-K260 HydrophobicContact CE1-CG 4.49Å; Y171-K260 HydrophobicContact CE2-CB 3.99Å; Y171-K260 HydrophobicContact CE2-CD 4.02Å; Y171-K260 HydrophobicContact CE2-CG 3.66Å; Y171-K260 HydrophobicContact CG-CD 4.44Å; Y171-K260 VanDerWaalsContact O-CD 3.32Å; Y171-K260 WeakPolarHBondContact O-CD 3.32Å; Y171-K260 PolarHBondContact O-NZ 2.99Å; L174-K260 HydrophobicContact CB-CB 4.43Å; L174-K260 HydrophobicContact CB-CD 4.06Å; L174-K260 PolarHBondContact O-NZ 2.87Å; D176-K260 VanDerWaalsContact OD1-CE 3.22Å; D176-K260 WeakPolarHBondContact OD1-CE 3.2Å; G177-K260 WeakPolarHBondContact CA-O 3.31Å; G177-K260 PolarHBondContact N-O 3.18Å; G178-K260 PolarHBondContact O-N 3.34Å
261V96Very high89.7Confident16 Ų1645.4 Ų45.410%0.09724%0.241CC..  trans-129.5158-176.2-710000111.3F259 K263 I307 H310F259-V261 HydrophobicContact CB-CG1 3.97Å; F259-V261 HydrophobicContact CB-CG2 4.27Å; F259-V261 PolarHBondContact O-N 3.08Å; V261-K263 PolarHBondContact O-N 3.36Å; V261-I307 HydrophobicContact CG1-CG1 4.41Å; V261-I307 HydrophobicContact CG2-CG1 4.04Å; V261-H310 HydrophobicContact CG1-CB 4.21Å
262P91.7Very high89.9Confident72 Ų7246.4 Ų46.447%0.46825%0.247SC..  trans-54.7131.3179-26.135000112.3G264P262-G264 PolarHBondContact O-N 3.4Å
263K83.6Confident90.2Very high151 Ų15146.5 Ų46.566%0.65725%0.247SC*.  trans-74.8121.9173-65.3-167.6175.7-168.20109.3G223 V261G223-K263 WeakPolarHBondContact O-CE 3.37Å; V261-K263 PolarHBondContact O-N 3.36Å
264G71.8Confident90.4Very high62 Ų6248.7 Ų48.764%0.63926%0.257SS*.SBendtrans17816117900000113.4P262 T266P262-G264 PolarHBondContact O-N 3.4Å; G264-T266 PolarHBondContact O-N 3.21Å; G264-T266 VanDerWaalsContact O-N 3.12Å
265K66.8Low90.5Very high220 Ų22049.3 Ų49.396%0.95726%0.264SS*.  trans-80.988.6172.6-71.7-174.4-179.9178.90109.4
266T70.9Confident90.5Very high58 Ų5851 Ų5136%0.35628%0.284SS..PPolyproline II helixtrans-74.3143.1164.6-54.10000108.5G264 G302 A305G264-T266 PolarHBondContact O-N 3.21Å; G264-T266 VanDerWaalsContact O-N 3.12Å; T266-G302 WeakPolarHBondContact CB-O 3.39Å; T266-G302 WeakPolarHBondContact CG2-O 3.32Å; T266-G302 VanDerWaalsContact O-CA 3.25Å; T266-G302 WeakPolarHBondContact O-CA 3.49Å; T266-A305 HydrophobicContact CG2-CB 3.93Å
267K82.5Confident90.4Very high169 Ų16951.1 Ų51.174%0.73529%0.285SS*.PPolyproline II helixtrans-79.4155.5175.9-66-179.3-178.7176.90109.4C269K267-C269 PolarHBondContact O-N 2.92Å
268T87.1Confident90.1Very high72 Ų7254.5 Ų54.544%0.44231%0.306SS..PPolyproline II helixtrans-51.2138165.152.30000110.1V300T268-V300 VanDerWaalsContact CA-O 3.25Å; T268-V300 WeakPolarHBondContact CA-O 3.46Å; T268-V300 WeakPolarHBondContact CB-O 3.32Å
269C89.2Confident89.8Confident19 Ų1956.6 Ų56.613%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-133.2165.3174.2750000111.1K267 V271 V300 A305K267-C269 PolarHBondContact O-N 2.92Å; C269-V271 VanDerWaalsContact SG-CG1 3.57Å; C269-V300 PolarHBondContact N-O 2.87Å; C269-V300 WeakPolarHBondContact O-CG2 3.44Å; C269-V300 PolarHBondContact O-N 3.4Å; C269-V300 WeakPolarHBondContact SG-CG2 3.33Å; C269-A305 HydrophobicContact CB-CB 4.46Å; C269-A305 WeakPolarHBondContact SG-CB 3.23Å
270Q94.6Very high89.5Confident61 Ų6157.2 Ų57.229%0.28533%0.332SS..EExtended strand (participates in β ladder)trans-97.9133.4168.3-78.2175.4-21.200108.3V297 V298 Q320Q270-V297 HydrophobicContact CB-CG1 3.91Å; Q270-V297 HydrophobicContact CG-CG1 3.94Å; Q270-V298 WeakPolarHBondContact CA-O 2.87Å; Q270-Q320 HydrophobicContact CB-CB 4.14Å; Q270-Q320 PolarHBondContact O-N 2.86Å
271V96.1Very high89.4Confident0 Ų061.1 Ų61.10%035%0.35CS..EExtended strand (participates in β ladder)trans-124.8150.7178-58.70000110.1C269 F292 V298 V300 L308 F317 T318 F319C269-V271 VanDerWaalsContact SG-CG1 3.57Å; V271-F292 HydrophobicContact CG2-CD1 4.15Å; V271-F292 HydrophobicContact CG2-CE1 3.59Å; V271-F292 HydrophobicContact CG2-CZ 4.41Å; V271-V298 HydrophobicContact CG2-CB 4.45Å; V271-V298 PolarHBondContact N-O 2.85Å; V271-V298 PolarHBondContact O-N 3.45Å; V271-V300 HydrophobicContact CG1-CG2 3.9Å; V271-V300 HydrophobicContact CG2-CG1 3.77Å; V271-V300 HydrophobicContact CG2-CG2 4.28Å; V271-L308 HydrophobicContact CG1-CD1 4.35Å; V271-L308 HydrophobicContact CG2-CD1 4.19Å; V271-F317 HydrophobicContact CB-CD1 3.96Å; V271-F317 HydrophobicContact CG2-CD1 3.97Å; V271-F317 HydrophobicContact CG2-CE1 4.14Å; V271-T318 CarbonylContact C-O 3.45Å; V271-T318 VanDerWaalsContact CA-O 3.3Å; V271-T318 WeakPolarHBondContact CA-O 3.39Å; V271-F319 HydrophobicContact CG1-CD1 3.71Å; V271-F319 HydrophobicContact CG1-CE1 3.88Å
272I97.4Very high89.4Confident28 Ų2866.7 Ų66.714%0.14438%0.38CS..EExtended strand (participates in β ladder)trans-121.7126.8170.7-60.6166.7000107V297 F317 T318I272-V297 HydrophobicContact CD1-CG2 4Å; I272-V297 HydrophobicContact CG1-CG2 3.84Å; I272-F317 CarbonylContact O-C 3.58Å; I272-F317 VanDerWaalsContact O-CA 3.31Å; I272-F317 WeakPolarHBondContact O-CA 3.49Å; I272-T318 PolarHBondContact N-O 3Å; I272-T318 PolarHBondContact O-N 3Å
273Y98.1Very high89.5Confident1 Ų167.4 Ų67.40%0.00438%0.379CS..EExtended strand (participates in β ladder)trans-80.3129172175.2-122.3000110G275 I277 A280 F284 F292 T294 N295 D316 F317Y273-G275 VanDerWaalsContact CZ-CA 3.45Å; Y273-I277 HydrophobicContact CE2-CD1 3.69Å; Y273-I277 HydrophobicContact CE2-CG1 3.9Å; Y273-I277 VanDerWaalsContact OH-CB 3.25Å; Y273-I277 WeakPolarHBondContact OH-CB 3.38Å; Y273-I277 PolarHBondContact OH-N 2.98Å; Y273-A280 VanDerWaalsContact CE1-O 3.31Å; Y273-A280 WeakPolarHBondContact CE1-O 3.4Å; Y273-A280 PolarHBondContact OH-O 3.04Å; Y273-F284 HydrophobicContact CD1-CB 4.17Å; Y273-F284 HydrophobicContact CE1-CB 3.78Å; Y273-F284 HydrophobicContact CE2-CB 4.15Å; Y273-F284 HydrophobicContact CE2-CD1 4.48Å; Y273-F292 HydrophobicContact CD1-CB 4.37Å; Y273-F292 HydrophobicContact CG-CB 4.1Å; Y273-T294 WeakPolarHBondContact CD1-OG1 3.48Å; Y273-T294 WeakPolarHBondContact CE1-OG1 3.45Å; Y273-T294 WeakPolarHBondContact O-CA 3.33Å; Y273-N295 PolarHBondContact O-N 3.19Å; Y273-D316 HydrophobicContact CD2-CB 4.33Å; Y273-D316 WeakPolarHBondContact CD2-O 3.42Å; Y273-D316 HydrophobicContact CE2-CB 4.02Å; Y273-F317 HydrophobicContact CD2-CD2 4.33Å; Y273-F317 HydrophobicContact CD2-CE1 4.18Å; Y273-F317 AromaticContact CD2-CE2 3.84Å; Y273-F317 HydrophobicContact CD2-CE2 3.84Å; Y273-F317 AromaticContact CD2-CZ 3.79Å; Y273-F317 HydrophobicContact CD2-CZ 3.79Å; Y273-F317 HydrophobicContact CE2-CE2 4.48Å; Y273-F317 HydrophobicContact CG-CE1 4.38Å; Y273-F317 HydrophobicContact CG-CZ 4.29Å
274N96.8Very high90.1Very high66 Ų6660.2 Ų60.235%0.35335%0.348SS..  trans-91.3-5.3-171.8-59.7-30.2000113.4D316 T318N274-D316 WeakPolarHBondContact CB-O 3.35Å; N274-D316 PolarHBondContact N-O 2.95Å; N274-D316 PolarHBondContact ND2-O 3.42Å; N274-T318 PolarHBondContact ND2-OG1 3.1Å; N274-T318 PolarHBondContact OD1-OG1 3.45Å
275G95.2Very high91.2Very high14 Ų1460.4 Ų60.414%0.14433%0.332CS..SBendtrans7818.8178.900000114.9Y273 I277 E281Y273-G275 VanDerWaalsContact CZ-CA 3.45Å; G275-I277 VanDerWaalsContact C-N 3.34Å; G275-I277 PolarHBondContact O-N 3Å; G275-E281 VanDerWaalsContact CA-O 3.26Å; G275-E281 WeakPolarHBondContact CA-O 3.45Å
276G93.9Very high92.6Very high49 Ų4950 Ų5051%0.50529%0.286SS..  trans-83.3-2.4-174.900000115.5D316G276-D316 WeakPolarHBondContact CA-OD1 3.37Å
277I95.2Very high93.8Very high3 Ų347.2 Ų47.22%0.01527%0.27CS..SBendtrans-90.4116.8-177-57171.6000109.6E66 Y273 G275 G279 A280 E281 F284 F313 D316E66-I277 HydrophobicContact CB-CG2 3.79Å; Y273-I277 HydrophobicContact CE2-CD1 3.69Å; Y273-I277 HydrophobicContact CE2-CG1 3.9Å; Y273-I277 VanDerWaalsContact OH-CB 3.25Å; Y273-I277 WeakPolarHBondContact OH-CB 3.38Å; Y273-I277 PolarHBondContact OH-N 2.98Å; G275-I277 VanDerWaalsContact C-N 3.34Å; G275-I277 PolarHBondContact O-N 3Å; I277-G279 PolarHBondContact O-N 3.08Å; I277-A280 HydrophobicContact CB-CB 4.18Å; I277-A280 HydrophobicContact CG2-CB 4.06Å; I277-A280 CarbonylContact O-C 3.52Å; I277-A280 WeakPolarHBondContact O-CA 3.21Å; I277-A280 PolarHBondContact O-N 3.32Å; I277-E281 PolarHBondContact O-N 3.37Å; I277-F284 HydrophobicContact CD1-CD1 3.8Å; I277-F284 HydrophobicContact CD1-CD2 4.01Å; I277-F284 HydrophobicContact CD1-CE1 3.91Å; I277-F284 HydrophobicContact CD1-CE2 4.13Å; I277-F284 HydrophobicContact CD1-CG 3.85Å; I277-F284 HydrophobicContact CD1-CZ 4.06Å; I277-F313 HydrophobicContact CD1-CD1 3.84Å; I277-F313 HydrophobicContact CD1-CE1 4.04Å; I277-D316 HydrophobicContact CD1-CB 4.39Å; I277-D316 HydrophobicContact CG1-CB 4.11Å; I277-D316 VanDerWaalsContact CG1-OD2 3.3Å; I277-D316 WeakPolarHBondContact CG1-OD2 3.35Å
278T91.4Very high94.3Very high72 Ų7240.7 Ų40.744%0.44225%0.245SC..THydrogen-bonded Turntrans-53.1123.9176.7-61.90000112.1E69 A280 E281E69-T278 PolarHBondContact OE1-OG1 3.47Å; T278-A280 VanDerWaalsContact C-N 3.3Å; T278-E281 WeakPolarHBondContact CA-OE1 3.21Å
279G90.3Very high94.6Very high43 Ų4341.3 Ų41.344%0.44324%0.243SC..THydrogen-bonded Turntrans80.81.6-177.500000115.3I277 E281I277-G279 PolarHBondContact O-N 3.08Å; G279-E281 WeakPolarHBondContact CA-OE2 3.5Å; G279-E281 VanDerWaalsContact N-CD 3.27Å; G279-E281 PolarHBondContact N-OE1 3.4Å; G279-E281 PolarHBondContact N-OE2 3.07Å
280A93.3Very high94.9Very high13 Ų1341.3 Ų41.311%0.10724%0.24CC..  trans-133.525.8177.200000112.1Y273 I277 T278 D282 I283 F284Y273-A280 VanDerWaalsContact CE1-O 3.31Å; Y273-A280 WeakPolarHBondContact CE1-O 3.4Å; Y273-A280 PolarHBondContact OH-O 3.04Å; I277-A280 HydrophobicContact CB-CB 4.18Å; I277-A280 HydrophobicContact CG2-CB 4.06Å; I277-A280 CarbonylContact O-C 3.52Å; I277-A280 WeakPolarHBondContact O-CA 3.21Å; I277-A280 PolarHBondContact O-N 3.32Å; T278-A280 VanDerWaalsContact C-N 3.3Å; A280-D282 PolarHBondContact O-N 2.9Å; A280-D282 VanDerWaalsContact O-N 3.14Å; A280-I283 CarbonylContact O-C 3.58Å; A280-I283 PolarHBondContact O-N 3.43Å; A280-F284 HydrophobicContact CB-CB 4.35Å; A280-F284 HydrophobicContact CB-CD2 4.38Å
281E95.3Very high95Very high94 Ų9441.8 Ų41.844%0.43925%0.247SC..SBendtrans-60.5-29.5-169.2-62.382.7175.400113.7G275 I277 T278 G279 T294G275-E281 VanDerWaalsContact CA-O 3.26Å; G275-E281 WeakPolarHBondContact CA-O 3.45Å; I277-E281 PolarHBondContact O-N 3.37Å; T278-E281 WeakPolarHBondContact CA-OE1 3.21Å; G279-E281 WeakPolarHBondContact CA-OE2 3.5Å; G279-E281 VanDerWaalsContact N-CD 3.27Å; G279-E281 PolarHBondContact N-OE1 3.4Å; G279-E281 PolarHBondContact N-OE2 3.07Å; E281-T294 PolarHBondContact O-OG1 3.04Å
282D95.6Very high95Very high133 Ų13341.8 Ų41.871%0.71125%0.247SC*.SBendtrans-95.6-39.4179-67.2-41.3000112.9A280 K293 T294A280-D282 PolarHBondContact O-N 2.9Å; A280-D282 VanDerWaalsContact O-N 3.14Å; D282-K293 WeakPolarHBondContact O-CA 3.4Å; D282-T294 PolarHBondContact O-N 2.72Å; D282-T294 PolarHBondContact O-OG1 3.25Å
283I95.6Very high95Very high87 Ų8745 Ų4545%0.44626%0.26SS..EExtended strand (participates in β ladder)trans-145.6124-173-58.8-172.6000109.3A280 T291 F292 K293A280-I283 CarbonylContact O-C 3.58Å; A280-I283 PolarHBondContact O-N 3.43Å; I283-T291 HydrophobicContact CG2-CG2 3.43Å; I283-T291 VanDerWaalsContact CG2-CG2 3.43Å; I283-F292 CarbonylContact C-O 3.54Å; I283-F292 WeakPolarHBondContact CA-O 3.44Å; I283-K293 HydrophobicContact CD1-CD 4.42Å; I283-K293 HydrophobicContact CD1-CG 4.27Å; I283-K293 HydrophobicContact CG1-CG 4.07Å
284F95.9Very high95Very high1 Ų146.6 Ų46.60%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-111.6112.1172.6175.8-134.3000111E66 Y273 I277 A280 F286 T291 F292 F313 F317E66-F284 HydrophobicContact CB-CD2 4.49Å; E66-F284 HydrophobicContact CB-CE2 3.87Å; E66-F284 HydrophobicContact CG-CD2 4.19Å; E66-F284 HydrophobicContact CG-CE2 3.71Å; Y273-F284 HydrophobicContact CD1-CB 4.17Å; Y273-F284 HydrophobicContact CE1-CB 3.78Å; Y273-F284 HydrophobicContact CE2-CB 4.15Å; Y273-F284 HydrophobicContact CE2-CD1 4.48Å; I277-F284 HydrophobicContact CD1-CD1 3.8Å; I277-F284 HydrophobicContact CD1-CD2 4.01Å; I277-F284 HydrophobicContact CD1-CE1 3.91Å; I277-F284 HydrophobicContact CD1-CE2 4.13Å; I277-F284 HydrophobicContact CD1-CG 3.85Å; I277-F284 HydrophobicContact CD1-CZ 4.06Å; A280-F284 HydrophobicContact CB-CB 4.35Å; A280-F284 HydrophobicContact CB-CD2 4.38Å; F284-F286 HydrophobicContact CD1-CB 4.42Å; F284-F286 HydrophobicContact CE1-CB 3.94Å; F284-F286 AromaticContact CE1-CD2 3.79Å; F284-F286 HydrophobicContact CE1-CD2 3.79Å; F284-F286 HydrophobicContact CE1-CG 4.32Å; F284-F286 HydrophobicContact CZ-CB 4.17Å; F284-F286 AromaticContact CZ-CD2 3.76Å; F284-F286 HydrophobicContact CZ-CD2 3.76Å; F284-F286 HydrophobicContact CZ-CG 4.47Å; F284-F286 PolarHBondContact O-N 2.9Å; F284-T291 WeakPolarHBondContact O-CA 3.42Å; F284-F292 HydrophobicContact CD1-CD2 4.08Å; F284-F292 PolarHBondContact N-O 2.96Å; F284-F292 PolarHBondContact O-N 2.95Å; F284-F313 HydrophobicContact CE1-CD1 4.11Å; F284-F313 HydrophobicContact CE1-CE1 4.08Å; F284-F313 HydrophobicContact CE2-CE1 4.29Å; F284-F313 HydrophobicContact CZ-CD1 4.03Å; F284-F313 AromaticContact CZ-CE1 3.52Å; F284-F313 HydrophobicContact CZ-CE1 3.52Å; F284-F313 AromaticContact CZ-CZ 3.82Å; F284-F313 HydrophobicContact CZ-CZ 3.82Å; F284-F317 HydrophobicContact CD1-CE2 4.11Å; F284-F317 AromaticContact CD1-CZ 3.9Å; F284-F317 HydrophobicContact CD1-CZ 3.9Å; F284-F317 HydrophobicContact CE1-CE2 4.17Å; F284-F317 HydrophobicContact CE1-CZ 4.22Å
285Q94.8Very high94.8Very high65 Ų6549.5 Ų49.530%0.30429%0.286SS..EExtended strand (participates in β ladder)trans-86.498.9172.3-175178-13.200109.4
286F96.1Very high94.9Very high1 Ų153.4 Ų53.40%0.00430%0.3CS..  trans-75.5-46.8-177.6178.6-111.8000112.2R257 F259 F284 Y290 F292 I307 L308 F313R257-F286 WeakPolarHBondContact CD-O 3.5Å; R257-F286 PolarHBondContact NH1-O 3.41Å; F259-F286 HydrophobicContact CE2-CE2 4.15Å; F259-F286 AromaticContact CE2-CZ 3.83Å; F259-F286 HydrophobicContact CE2-CZ 3.83Å; F259-F286 AromaticContact CZ-CE2 3.87Å; F259-F286 HydrophobicContact CZ-CE2 3.87Å; F259-F286 AromaticContact CZ-CZ 3.99Å; F259-F286 HydrophobicContact CZ-CZ 3.99Å; F284-F286 HydrophobicContact CD1-CB 4.42Å; F284-F286 HydrophobicContact CE1-CB 3.94Å; F284-F286 AromaticContact CE1-CD2 3.79Å; F284-F286 HydrophobicContact CE1-CD2 3.79Å; F284-F286 HydrophobicContact CE1-CG 4.32Å; F284-F286 HydrophobicContact CZ-CB 4.17Å; F284-F286 AromaticContact CZ-CD2 3.76Å; F284-F286 HydrophobicContact CZ-CD2 3.76Å; F284-F286 HydrophobicContact CZ-CG 4.47Å; F284-F286 PolarHBondContact O-N 2.9Å; F286-Y290 PolarHBondContact N-O 3.21Å; F286-F292 HydrophobicContact CB-CD2 4.08Å; F286-F292 HydrophobicContact CB-CE2 3.65Å; F286-F292 HydrophobicContact CG-CE2 4.24Å; F286-I307 HydrophobicContact CE2-CG2 4.39Å; F286-I307 HydrophobicContact CZ-CG2 3.81Å; F286-L308 HydrophobicContact CE2-CD2 4.45Å; F286-F313 HydrophobicContact CD2-CE2 4.44Å; F286-F313 HydrophobicContact CE2-CD2 4.17Å; F286-F313 AromaticContact CE2-CE2 3.95Å; F286-F313 HydrophobicContact CE2-CE2 3.95Å
287D95.3Very high95Very high1 Ų154.7 Ų54.71%0.00530%0.298CS..SBendtrans-152.5-170.8174.462.934000109.7R228 L229 H289 Y290R228-D287 HydrophobicContact CB-CB 4.01Å; R228-D287 WeakPolarHBondContact CD-OD2 3.41Å; R228-D287 IonicContact CZ-OD2 2.77Å; R228-D287 IonicContact NE-OD2 3.31Å; R228-D287 PolarHBondContact NE-OD2 2.95Å; R228-D287 IonicContact NH2-OD2 3.48Å; L229-D287 WeakPolarHBondContact O-CB 3.31Å; D287-H289 PolarHBondContact O-N 3.46Å; D287-H289 VanDerWaalsContact OD1-CA 3.32Å; D287-H289 WeakPolarHBondContact OD1-CA 3.17Å; D287-H289 WeakPolarHBondContact OD1-CB 3.24Å; D287-H289 PolarHBondContact OD1-N 3.38Å; D287-Y290 PolarHBondContact N-O 3.19Å; D287-Y290 PolarHBondContact OD1-N 2.9Å
288C93.3Very high95Very high31 Ų3156 Ų5621%0.20931%0.306CS..SBendtrans-70-11.4178.865.90000114.6L229 L343L229-C288 WeakPolarHBondContact O-CB 3.43Å; L229-C288 PolarHBondContact O-N 2.96Å; L229-C288 PolarHBondContact O-SG 3.41Å; C288-L343 HydrophobicContact CB-CD1 3.98Å; C288-L343 HydrophobicContact CB-CD2 3.74Å
289H93Very high95.2Very high86 Ų8657.7 Ų57.740%0.39831%0.309SS..SBendtrans-102.1-37.2178-61.4-80.6000112.5D287 D336D287-H289 PolarHBondContact O-N 3.46Å; D287-H289 VanDerWaalsContact OD1-CA 3.32Å; D287-H289 WeakPolarHBondContact OD1-CA 3.17Å; D287-H289 WeakPolarHBondContact OD1-CB 3.24Å; D287-H289 PolarHBondContact OD1-N 3.38Å; H289-D336 PolarHBondContact CE1-O 3.07Å
290Y95.4Very high95.3Very high18 Ų1855.7 Ų55.77%0.07129%0.288CS..  trans-112.6117.2-173.6-65.5-68.3000111.9F286 D287 F292 V300 D301 A304F286-Y290 PolarHBondContact N-O 3.21Å; D287-Y290 PolarHBondContact N-O 3.19Å; D287-Y290 PolarHBondContact OD1-N 2.9Å; Y290-F292 HydrophobicContact CD1-CZ 4.24Å; Y290-F292 HydrophobicContact CG-CZ 4.15Å; Y290-V300 HydrophobicContact CD1-CG1 4.05Å; Y290-V300 HydrophobicContact CE1-CB 4.21Å; Y290-V300 HydrophobicContact CE1-CG1 3.83Å; Y290-D301 VanDerWaalsContact OH-CG 3.29Å; Y290-D301 PolarHBondContact OH-N 3.24Å; Y290-D301 PolarHBondContact OH-OD2 2.98Å; Y290-A304 HydrophobicContact CD2-CB 4.31Å; Y290-A304 HydrophobicContact CE2-CB 3.77Å
291T96.4Very high95.2Very high71 Ų7156 Ų5644%0.43629%0.288SS..EExtended strand (participates in β ladder)trans-122.8122.5166.2-59.80000107.6I283 F284I283-T291 HydrophobicContact CG2-CG2 3.43Å; I283-T291 VanDerWaalsContact CG2-CG2 3.43Å; F284-T291 WeakPolarHBondContact O-CA 3.42Å
292F97.3Very high95Very high1 Ų152 Ų520%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-105123.7-178-57.3-81000109.4V271 Y273 I283 F284 F286 Y290 V298 V300 L308 F317V271-F292 HydrophobicContact CG2-CD1 4.15Å; V271-F292 HydrophobicContact CG2-CE1 3.59Å; V271-F292 HydrophobicContact CG2-CZ 4.41Å; Y273-F292 HydrophobicContact CD1-CB 4.37Å; Y273-F292 HydrophobicContact CG-CB 4.1Å; I283-F292 CarbonylContact C-O 3.54Å; I283-F292 WeakPolarHBondContact CA-O 3.44Å; F284-F292 HydrophobicContact CD1-CD2 4.08Å; F284-F292 PolarHBondContact N-O 2.96Å; F284-F292 PolarHBondContact O-N 2.95Å; F286-F292 HydrophobicContact CB-CD2 4.08Å; F286-F292 HydrophobicContact CB-CE2 3.65Å; F286-F292 HydrophobicContact CG-CE2 4.24Å; Y290-F292 HydrophobicContact CD1-CZ 4.24Å; Y290-F292 HydrophobicContact CG-CZ 4.15Å; F292-V298 HydrophobicContact CD1-CB 3.83Å; F292-V298 HydrophobicContact CD1-CG1 4.02Å; F292-V298 HydrophobicContact CD1-CG2 3.85Å; F292-V298 HydrophobicContact CE1-CB 3.89Å; F292-V298 HydrophobicContact CE1-CG1 3.74Å; F292-V298 HydrophobicContact CE1-CG2 4.4Å; F292-V300 HydrophobicContact CE1-CG1 3.72Å; F292-V300 HydrophobicContact CZ-CG1 3.82Å; F292-L308 HydrophobicContact CZ-CD1 3.98Å; F292-F317 HydrophobicContact CB-CE1 4.25Å; F292-F317 HydrophobicContact CB-CZ 4.37Å; F292-F317 AromaticContact CD1-CE1 3.74Å; F292-F317 HydrophobicContact CD1-CE1 3.74Å; F292-F317 HydrophobicContact CD1-CZ 4.35Å; F292-F317 AromaticContact CD2-CE1 3.92Å; F292-F317 HydrophobicContact CD2-CE1 3.92Å; F292-F317 AromaticContact CD2-CZ 3.67Å; F292-F317 HydrophobicContact CD2-CZ 3.67Å; F292-F317 AromaticContact CE1-CE1 4Å; F292-F317 HydrophobicContact CE1-CE1 4Å; F292-F317 HydrophobicContact CE2-CE1 4.15Å; F292-F317 AromaticContact CE2-CZ 3.96Å; F292-F317 HydrophobicContact CE2-CZ 3.96Å; F292-F317 AromaticContact CG-CE1 3.7Å; F292-F317 HydrophobicContact CG-CE1 3.7Å; F292-F317 AromaticContact CG-CZ 3.88Å; F292-F317 HydrophobicContact CG-CZ 3.88Å; F292-F317 HydrophobicContact CZ-CE1 4.19Å; F292-F317 HydrophobicContact CZ-CZ 4.43Å
293K97.4Very high94.8Very high95 Ų9548.5 Ų48.541%0.41325%0.252SS..EExtended strand (participates in β ladder)trans-95.2145.1168.4-57.3-168.7-168.3155.80109.4D282 I283 N295 E296D282-K293 WeakPolarHBondContact O-CA 3.4Å; I283-K293 HydrophobicContact CD1-CD 4.42Å; I283-K293 HydrophobicContact CD1-CG 4.27Å; I283-K293 HydrophobicContact CG1-CG 4.07Å; K293-N295 PolarHBondContact O-N 2.81Å; K293-E296 HydrophobicContact CB-CB 4.29Å; K293-E296 HydrophobicContact CB-CG 3.98Å; K293-E296 IonicContact NZ-OE1 2.72Å; K293-E296 PolarHBondContact O-N 2.95Å; K293-E296 VanDerWaalsContact O-N 3.14Å
294T96.9Very high94.7Very high35 Ų3544.4 Ų44.422%0.21523%0.231CC..BIsolated β-bridgetrans-61.1134.1-176.3-58.30000111Y273 E281 D282 E296Y273-T294 WeakPolarHBondContact CD1-OG1 3.48Å; Y273-T294 WeakPolarHBondContact CE1-OG1 3.45Å; Y273-T294 WeakPolarHBondContact O-CA 3.33Å; E281-T294 PolarHBondContact O-OG1 3.04Å; D282-T294 PolarHBondContact O-N 2.72Å; D282-T294 PolarHBondContact O-OG1 3.25Å; T294-E296 PolarHBondContact O-N 3.09Å
295N94.3Very high94.6Very high127 Ų12744.4 Ų44.468%0.67923%0.231SC*.THydrogen-bonded Turntrans657.7-176.7-53-51.1000116.2Y273 K293Y273-N295 PolarHBondContact O-N 3.19Å; K293-N295 PolarHBondContact O-N 2.81Å
296E96.1Very high94.6Very high95 Ų9541.6 Ų41.644%0.44422%0.219SC..  trans-91.4139172.7-68.1-171179.500111.5K293 T294K293-E296 HydrophobicContact CB-CB 4.29Å; K293-E296 HydrophobicContact CB-CG 3.98Å; K293-E296 IonicContact NZ-OE1 2.72Å; K293-E296 PolarHBondContact O-N 2.95Å; K293-E296 VanDerWaalsContact O-N 3.14Å; T294-E296 PolarHBondContact O-N 3.09Å
297V96.1Very high94.6Very high77 Ų7741.6 Ų41.647%0.46722%0.218SC..EExtended strand (participates in β ladder)trans-80.6119.9174.9179.70000109.3Q270 I272Q270-V297 HydrophobicContact CB-CG1 3.91Å; Q270-V297 HydrophobicContact CG-CG1 3.94Å; I272-V297 HydrophobicContact CD1-CG2 4Å; I272-V297 HydrophobicContact CG1-CG2 3.84Å
298V95.4Very high94.7Very high30 Ų3041.5 Ų41.518%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-119.2130.6177.9-178.30000109.6Q270 V271 F292 V300Q270-V298 WeakPolarHBondContact CA-O 2.87Å; V271-V298 HydrophobicContact CG2-CB 4.45Å; V271-V298 PolarHBondContact N-O 2.85Å; V271-V298 PolarHBondContact O-N 3.45Å; F292-V298 HydrophobicContact CD1-CB 3.83Å; F292-V298 HydrophobicContact CD1-CG1 4.02Å; F292-V298 HydrophobicContact CD1-CG2 3.85Å; F292-V298 HydrophobicContact CE1-CB 3.89Å; F292-V298 HydrophobicContact CE1-CG1 3.74Å; F292-V298 HydrophobicContact CE1-CG2 4.4Å; V298-V300 HydrophobicContact CG1-CG1 4.34Å
299Q95.3Very high94.7Very high108 Ų10843 Ų4351%0.50523%0.227SC..EExtended strand (participates in β ladder)trans-82.7126.2171.1-177173.3-4.900109.7
300V93.6Very high94.9Very high1 Ų143.3 Ų43.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-116.5150.7178.3-63.30000111.2T268 C269 V271 Y290 F292 V298 A304 A305T268-V300 VanDerWaalsContact CA-O 3.25Å; T268-V300 WeakPolarHBondContact CA-O 3.46Å; T268-V300 WeakPolarHBondContact CB-O 3.32Å; C269-V300 PolarHBondContact N-O 2.87Å; C269-V300 WeakPolarHBondContact O-CG2 3.44Å; C269-V300 PolarHBondContact O-N 3.4Å; C269-V300 WeakPolarHBondContact SG-CG2 3.33Å; V271-V300 HydrophobicContact CG1-CG2 3.9Å; V271-V300 HydrophobicContact CG2-CG1 3.77Å; V271-V300 HydrophobicContact CG2-CG2 4.28Å; Y290-V300 HydrophobicContact CD1-CG1 4.05Å; Y290-V300 HydrophobicContact CE1-CB 4.21Å; Y290-V300 HydrophobicContact CE1-CG1 3.83Å; F292-V300 HydrophobicContact CE1-CG1 3.72Å; F292-V300 HydrophobicContact CZ-CG1 3.82Å; V298-V300 HydrophobicContact CG1-CG1 4.34Å; V300-A304 HydrophobicContact CB-CB 4Å; V300-A305 HydrophobicContact CG2-CB 3.99Å
301D91.4Very high95Very high18 Ų1842.9 Ų42.910%0.09623%0.228CC..  trans-66.1168.9170.268.959000112R228 Y290 E303 A304 A305R228-D301 IonicContact NH2-OD2 3.74Å; Y290-D301 VanDerWaalsContact OH-CG 3.29Å; Y290-D301 PolarHBondContact OH-N 3.24Å; Y290-D301 PolarHBondContact OH-OD2 2.98Å; D301-E303 VanDerWaalsContact C-N 3.31Å; D301-E303 PolarHBondContact O-N 3.43Å; D301-E303 WeakPolarHBondContact OD1-CA 3.09Å; D301-E303 WeakPolarHBondContact OD1-CB 3.43Å; D301-E303 PolarHBondContact OD1-N 3.34Å; D301-A304 PolarHBondContact OD1-N 3.01Å; D301-A305 VanDerWaalsContact O-CB 3.31Å; D301-A305 WeakPolarHBondContact O-CB 3.18Å; D301-A305 PolarHBondContact O-N 3.43Å
302G90.4Very high95Very high12 Ų1241.9 Ų41.912%0.12422%0.216CC..Hα-helixtrans-62.5-35.8-177.700000113.9T266 C306T266-G302 WeakPolarHBondContact CB-O 3.39Å; T266-G302 WeakPolarHBondContact CG2-O 3.32Å; T266-G302 VanDerWaalsContact O-CA 3.25Å; T266-G302 WeakPolarHBondContact O-CA 3.49Å; G302-C306 WeakPolarHBondContact O-CB 3.4Å; G302-C306 PolarHBondContact O-N 3.01Å
303E91.1Very high95Very high58 Ų5841.8 Ų41.827%0.27122%0.215SC..Hα-helixtrans-72.9-45.8-178.3-171.8-180-139.800110.8Q226 R228 D301 A305 C306 I307Q226-E303 WeakPolarHBondContact CB-OE1 3.33Å; Q226-E303 WeakPolarHBondContact CB-OE2 3.49Å; Q226-E303 PolarHBondContact N-OE1 2.85Å; R228-E303 IonicContact NH1-OE2 3.19Å; R228-E303 PolarHBondContact NH1-OE2 2.97Å; D301-E303 VanDerWaalsContact C-N 3.31Å; D301-E303 PolarHBondContact O-N 3.43Å; D301-E303 WeakPolarHBondContact OD1-CA 3.09Å; D301-E303 WeakPolarHBondContact OD1-CB 3.43Å; D301-E303 PolarHBondContact OD1-N 3.34Å; E303-A305 VanDerWaalsContact C-N 3.3Å; E303-A305 PolarHBondContact O-N 2.66Å; E303-C306 WeakPolarHBondContact O-CB 3.34Å; E303-C306 PolarHBondContact O-N 3.02Å; E303-C306 VanDerWaalsContact O-N 3.11Å; E303-I307 HydrophobicContact CG-CD1 4.15Å; E303-I307 WeakPolarHBondContact O-CG1 3.31Å; E303-I307 PolarHBondContact O-N 3.18Å
304A93.5Very high95Very high1 Ų138.9 Ų38.91%0.00821%0.209CC..Hα-helixtrans-58-43.8172.400000111.1Y290 V300 D301 C306 I307 L308Y290-A304 HydrophobicContact CD2-CB 4.31Å; Y290-A304 HydrophobicContact CE2-CB 3.77Å; V300-A304 HydrophobicContact CB-CB 4Å; D301-A304 PolarHBondContact OD1-N 3.01Å; A304-C306 PolarHBondContact O-N 3.3Å; A304-I307 PolarHBondContact O-N 2.83Å; A304-L308 WeakPolarHBondContact O-CB 3.27Å; A304-L308 VanDerWaalsContact O-CG 3.29Å; A304-L308 WeakPolarHBondContact O-CG 3.37Å; A304-L308 PolarHBondContact O-N 3.46Å
305A93.9Very high94.8Very high1 Ų145.8 Ų45.81%0.00824%0.239CC..Hα-helixtrans-57.2-47172.600000112.1T266 C269 V300 D301 E303 I307 L308 T309T266-A305 HydrophobicContact CG2-CB 3.93Å; C269-A305 HydrophobicContact CB-CB 4.46Å; C269-A305 WeakPolarHBondContact SG-CB 3.23Å; V300-A305 HydrophobicContact CG2-CB 3.99Å; D301-A305 VanDerWaalsContact O-CB 3.31Å; D301-A305 WeakPolarHBondContact O-CB 3.18Å; D301-A305 PolarHBondContact O-N 3.43Å; E303-A305 VanDerWaalsContact C-N 3.3Å; E303-A305 PolarHBondContact O-N 2.66Å; A305-I307 VanDerWaalsContact C-N 3.33Å; A305-I307 PolarHBondContact O-N 3.22Å; A305-L308 PolarHBondContact O-N 3.48Å; A305-T309 WeakPolarHBondContact O-CB 3.2Å; A305-T309 PolarHBondContact O-N 3.06Å; A305-T309 PolarHBondContact O-OG1 2.99Å
306C94.8Very high95Very high7 Ų740.6 Ų40.65%0.04721%0.211CC..Hα-helixtrans-58.4-46.1177.8-167.30000111.4G302 E303 A304 T309 H310G302-C306 WeakPolarHBondContact O-CB 3.4Å; G302-C306 PolarHBondContact O-N 3.01Å; E303-C306 WeakPolarHBondContact O-CB 3.34Å; E303-C306 PolarHBondContact O-N 3.02Å; E303-C306 VanDerWaalsContact O-N 3.11Å; A304-C306 PolarHBondContact O-N 3.3Å; C306-T309 PolarHBondContact O-N 3.32Å; C306-H310 WeakPolarHBondContact O-CB 3.4Å; C306-H310 PolarHBondContact O-N 3.37Å; C306-H310 PolarHBondContact O-ND1 3.05Å
307I96.3Very high95Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-63.5-50.7179.6-67164.2000110.8F259 V261 F286 E303 A304 A305 T309 H310 S311F259-I307 HydrophobicContact CB-CD1 4.43Å; F259-I307 HydrophobicContact CB-CG1 4.09Å; F259-I307 HydrophobicContact CB-CG2 4.34Å; F259-I307 HydrophobicContact CD1-CG2 3.61Å; F259-I307 HydrophobicContact CD2-CD1 3.81Å; F259-I307 HydrophobicContact CD2-CG1 4.12Å; F259-I307 HydrophobicContact CD2-CG2 3.63Å; F259-I307 HydrophobicContact CE1-CG2 3.67Å; F259-I307 HydrophobicContact CE2-CD1 4.43Å; F259-I307 HydrophobicContact CE2-CG2 3.7Å; F259-I307 HydrophobicContact CG-CB 4.49Å; F259-I307 HydrophobicContact CG-CD1 4.31Å; F259-I307 HydrophobicContact CG-CG1 4.12Å; F259-I307 HydrophobicContact CG-CG2 3.58Å; F259-I307 HydrophobicContact CZ-CG2 3.72Å; V261-I307 HydrophobicContact CG1-CG1 4.41Å; V261-I307 HydrophobicContact CG2-CG1 4.04Å; F286-I307 HydrophobicContact CE2-CG2 4.39Å; F286-I307 HydrophobicContact CZ-CG2 3.81Å; E303-I307 HydrophobicContact CG-CD1 4.15Å; E303-I307 WeakPolarHBondContact O-CG1 3.31Å; E303-I307 PolarHBondContact O-N 3.18Å; A304-I307 PolarHBondContact O-N 2.83Å; A305-I307 VanDerWaalsContact C-N 3.33Å; A305-I307 PolarHBondContact O-N 3.22Å; I307-T309 VanDerWaalsContact C-N 3.28Å; I307-T309 PolarHBondContact O-N 2.78Å; I307-H310 PolarHBondContact O-N 3.25Å; I307-S311 WeakPolarHBondContact O-CB 3.42Å; I307-S311 PolarHBondContact O-N 2.77Å; I307-S311 PolarHBondContact O-OG 2.69Å
308L96.2Very high95Very high0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-60.7-38.5-180-66.6175.6000111.4V271 F286 F292 A304 A305 F313 A314 F317 F319V271-L308 HydrophobicContact CG1-CD1 4.35Å; V271-L308 HydrophobicContact CG2-CD1 4.19Å; F286-L308 HydrophobicContact CE2-CD2 4.45Å; F292-L308 HydrophobicContact CZ-CD1 3.98Å; A304-L308 WeakPolarHBondContact O-CB 3.27Å; A304-L308 VanDerWaalsContact O-CG 3.29Å; A304-L308 WeakPolarHBondContact O-CG 3.37Å; A304-L308 PolarHBondContact O-N 3.46Å; A305-L308 PolarHBondContact O-N 3.48Å; L308-F313 HydrophobicContact CD2-CB 4.14Å; L308-A314 WeakPolarHBondContact O-CA 3.43Å; L308-A314 WeakPolarHBondContact O-CB 3.38Å; L308-A314 PolarHBondContact O-N 3.28Å; L308-F317 HydrophobicContact CD1-CD1 4.23Å; L308-F317 HydrophobicContact CD1-CE1 4.12Å; L308-F317 HydrophobicContact CD1-CZ 4.36Å; L308-F317 HydrophobicContact CD2-CD2 4.01Å; L308-F317 HydrophobicContact CD2-CE1 4.45Å; L308-F317 HydrophobicContact CD2-CE2 3.68Å; L308-F317 HydrophobicContact CD2-CZ 3.9Å; L308-F319 HydrophobicContact CB-CE1 3.93Å; L308-F319 HydrophobicContact CB-CZ 3.91Å
309T95Very high94.9Very high63 Ų6337.8 Ų37.839%0.38719%0.194SC..Hα-helixtrans-71.4-34.3179.1-59.90000113.9A305 C306 I307 A314 F319A305-T309 WeakPolarHBondContact O-CB 3.2Å; A305-T309 PolarHBondContact O-N 3.06Å; A305-T309 PolarHBondContact O-OG1 2.99Å; C306-T309 PolarHBondContact O-N 3.32Å; I307-T309 VanDerWaalsContact C-N 3.28Å; I307-T309 PolarHBondContact O-N 2.78Å; T309-A314 WeakPolarHBondContact O-CB 3.39Å; T309-F319 WeakPolarHBondContact OG1-CE1 3.49Å; T309-F319 WeakPolarHBondContact OG1-CZ 3.47Å
310H95.9Very high94.5Very high92 Ų9235.8 Ų35.843%0.42619%0.185SC..Hα-helixtrans-107.9-4.7-169.1-61.788.6000114.3G177 V261 C306 I307G177-H310 WeakPolarHBondContact CA-O 3.35Å; V261-H310 HydrophobicContact CG1-CB 4.21Å; C306-H310 WeakPolarHBondContact O-CB 3.4Å; C306-H310 PolarHBondContact O-N 3.37Å; C306-H310 PolarHBondContact O-ND1 3.05Å; I307-H310 PolarHBondContact O-N 3.25Å
311S97.5Very high93.3Very high9 Ų940.9 Ų40.96%0.06322%0.218CC..SBendtrans-100.9178.4177.368.30000111.5G177 I307 F313 A314G177-S311 WeakPolarHBondContact O-CA 3.36Å; G177-S311 VanDerWaalsContact O-CB 3.24Å; G177-S311 WeakPolarHBondContact O-CB 3.47Å; I307-S311 WeakPolarHBondContact O-CB 3.42Å; I307-S311 PolarHBondContact O-N 2.77Å; I307-S311 PolarHBondContact O-OG 2.69Å; S311-F313 PolarHBondContact O-N 3.23Å; S311-F313 WeakPolarHBondContact OG-CD2 3.44Å; S311-A314 WeakPolarHBondContact O-CB 3.4Å; S311-A314 PolarHBondContact O-N 2.81Å
312R96.9Very high91.7Very high49 Ų4945 Ų4519%0.18525%0.246CC..G310 helixtrans-56.4-20175.971-173.9-173.6-77.8-1.2114.5E66 S67 E179 A314E66-R312 PolarHBondContact O-NE 2.77Å; E66-R312 PolarHBondContact O-NH2 3.19Å; S67-R312 WeakPolarHBondContact O-CD 3.48Å; S67-R312 PolarHBondContact O-NE 3.27Å; E179-R312 IonicContact OE2-CZ 3.43Å; E179-R312 IonicContact OE2-NH1 3.91Å; E179-R312 PolarHBondContact OE2-NH1 2.92Å; E179-R312 IonicContact OE2-NH2 3.21Å; E179-R312 PolarHBondContact OE2-NH2 2.79Å; R312-A314 PolarHBondContact O-N 2.84Å
313F97.7Very high89.8Confident0 Ų048 Ų480%028%0.277CS..G310 helixtrans-71.9-10.9177.5-60.3-62.8000113.3F259 I277 F284 F286 L308 S311 E315 D316 F317F259-F313 HydrophobicContact CE1-CD2 4.43Å; F259-F313 HydrophobicContact CE1-CE2 4.02Å; F259-F313 AromaticContact CZ-CE2 3.96Å; F259-F313 HydrophobicContact CZ-CE2 3.96Å; I277-F313 HydrophobicContact CD1-CD1 3.84Å; I277-F313 HydrophobicContact CD1-CE1 4.04Å; F284-F313 HydrophobicContact CE1-CD1 4.11Å; F284-F313 HydrophobicContact CE1-CE1 4.08Å; F284-F313 HydrophobicContact CE2-CE1 4.29Å; F284-F313 HydrophobicContact CZ-CD1 4.03Å; F284-F313 AromaticContact CZ-CE1 3.52Å; F284-F313 HydrophobicContact CZ-CE1 3.52Å; F284-F313 AromaticContact CZ-CZ 3.82Å; F284-F313 HydrophobicContact CZ-CZ 3.82Å; F286-F313 HydrophobicContact CD2-CE2 4.44Å; F286-F313 HydrophobicContact CE2-CD2 4.17Å; F286-F313 AromaticContact CE2-CE2 3.95Å; F286-F313 HydrophobicContact CE2-CE2 3.95Å; L308-F313 HydrophobicContact CD2-CB 4.14Å; S311-F313 PolarHBondContact O-N 3.23Å; S311-F313 WeakPolarHBondContact OG-CD2 3.44Å; F313-E315 PolarHBondContact O-N 3.43Å; F313-E315 VanDerWaalsContact O-N 3.14Å; F313-D316 WeakPolarHBondContact O-CB 3.24Å; F313-D316 PolarHBondContact O-N 3.04Å; F313-F317 HydrophobicContact CB-CD2 4.27Å; F313-F317 HydrophobicContact CB-CE2 4.27Å; F313-F317 WeakPolarHBondContact O-CD2 3.48Å
314A96.1Very high87.4Confident33 Ų3348.3 Ų48.327%0.27330%0.296SS..G310 helixtrans-56.5-35.3-172.800000113.8L308 T309 S311 R312 D316 F317L308-A314 WeakPolarHBondContact O-CA 3.43Å; L308-A314 WeakPolarHBondContact O-CB 3.38Å; L308-A314 PolarHBondContact O-N 3.28Å; T309-A314 WeakPolarHBondContact O-CB 3.39Å; S311-A314 WeakPolarHBondContact O-CB 3.4Å; S311-A314 PolarHBondContact O-N 2.81Å; R312-A314 PolarHBondContact O-N 2.84Å; A314-D316 VanDerWaalsContact C-N 3.28Å; A314-D316 PolarHBondContact O-N 2.49Å; A314-F317 PolarHBondContact O-N 2.9Å
315E94.6Very high85.1Confident180 Ų18054.4 Ų54.484%0.84134%0.338SS*.G310 helixtrans-73.4-21.9-179.7-60-171.2168.700112.5F313 F317F313-E315 PolarHBondContact O-N 3.43Å; F313-E315 VanDerWaalsContact O-N 3.14Å; E315-F317 VanDerWaalsContact C-N 3.35Å
316D96.6Very high82.4Confident18 Ų1860.1 Ų60.110%0.09638%0.376CS..G310 helixtrans-88-2.4179.9-64.4-59.8000113.7Y273 N274 G276 I277 F313 A314Y273-D316 HydrophobicContact CD2-CB 4.33Å; Y273-D316 WeakPolarHBondContact CD2-O 3.42Å; Y273-D316 HydrophobicContact CE2-CB 4.02Å; N274-D316 WeakPolarHBondContact CB-O 3.35Å; N274-D316 PolarHBondContact N-O 2.95Å; N274-D316 PolarHBondContact ND2-O 3.42Å; G276-D316 WeakPolarHBondContact CA-OD1 3.37Å; I277-D316 HydrophobicContact CD1-CB 4.39Å; I277-D316 HydrophobicContact CG1-CB 4.11Å; I277-D316 VanDerWaalsContact CG1-OD2 3.3Å; I277-D316 WeakPolarHBondContact CG1-OD2 3.35Å; F313-D316 WeakPolarHBondContact O-CB 3.24Å; F313-D316 PolarHBondContact O-N 3.04Å; A314-D316 VanDerWaalsContact C-N 3.28Å; A314-D316 PolarHBondContact O-N 2.49Å
317F97.1Very high79.5Confident9 Ų967.8 Ų67.84%0.03941%0.412CS..EExtended strand (participates in β ladder)trans-127.1135.3-176.4-76.7-93.4000112.9V271 I272 Y273 F284 F292 L308 F313 A314 E315 F319V271-F317 HydrophobicContact CB-CD1 3.96Å; V271-F317 HydrophobicContact CG2-CD1 3.97Å; V271-F317 HydrophobicContact CG2-CE1 4.14Å; I272-F317 CarbonylContact O-C 3.58Å; I272-F317 VanDerWaalsContact O-CA 3.31Å; I272-F317 WeakPolarHBondContact O-CA 3.49Å; Y273-F317 HydrophobicContact CD2-CD2 4.33Å; Y273-F317 HydrophobicContact CD2-CE1 4.18Å; Y273-F317 AromaticContact CD2-CE2 3.84Å; Y273-F317 HydrophobicContact CD2-CE2 3.84Å; Y273-F317 AromaticContact CD2-CZ 3.79Å; Y273-F317 HydrophobicContact CD2-CZ 3.79Å; Y273-F317 HydrophobicContact CE2-CE2 4.48Å; Y273-F317 HydrophobicContact CG-CE1 4.38Å; Y273-F317 HydrophobicContact CG-CZ 4.29Å; F284-F317 HydrophobicContact CD1-CE2 4.11Å; F284-F317 AromaticContact CD1-CZ 3.9Å; F284-F317 HydrophobicContact CD1-CZ 3.9Å; F284-F317 HydrophobicContact CE1-CE2 4.17Å; F284-F317 HydrophobicContact CE1-CZ 4.22Å; F292-F317 HydrophobicContact CB-CE1 4.25Å; F292-F317 HydrophobicContact CB-CZ 4.37Å; F292-F317 AromaticContact CD1-CE1 3.74Å; F292-F317 HydrophobicContact CD1-CE1 3.74Å; F292-F317 HydrophobicContact CD1-CZ 4.35Å; F292-F317 AromaticContact CD2-CE1 3.92Å; F292-F317 HydrophobicContact CD2-CE1 3.92Å; F292-F317 AromaticContact CD2-CZ 3.67Å; F292-F317 HydrophobicContact CD2-CZ 3.67Å; F292-F317 AromaticContact CE1-CE1 4Å; F292-F317 HydrophobicContact CE1-CE1 4Å; F292-F317 HydrophobicContact CE2-CE1 4.15Å; F292-F317 AromaticContact CE2-CZ 3.96Å; F292-F317 HydrophobicContact CE2-CZ 3.96Å; F292-F317 AromaticContact CG-CE1 3.7Å; F292-F317 HydrophobicContact CG-CE1 3.7Å; F292-F317 AromaticContact CG-CZ 3.88Å; F292-F317 HydrophobicContact CG-CZ 3.88Å; F292-F317 HydrophobicContact CZ-CE1 4.19Å; F292-F317 HydrophobicContact CZ-CZ 4.43Å; L308-F317 HydrophobicContact CD1-CD1 4.23Å; L308-F317 HydrophobicContact CD1-CE1 4.12Å; L308-F317 HydrophobicContact CD1-CZ 4.36Å; L308-F317 HydrophobicContact CD2-CD2 4.01Å; L308-F317 HydrophobicContact CD2-CE1 4.45Å; L308-F317 HydrophobicContact CD2-CE2 3.68Å; L308-F317 HydrophobicContact CD2-CZ 3.9Å; F313-F317 HydrophobicContact CB-CD2 4.27Å; F313-F317 HydrophobicContact CB-CE2 4.27Å; F313-F317 WeakPolarHBondContact O-CD2 3.48Å; A314-F317 PolarHBondContact O-N 2.9Å; E315-F317 VanDerWaalsContact C-N 3.35Å; F317-F319 HydrophobicContact CB-CE2 3.95Å; F317-F319 HydrophobicContact CB-CZ 3.94Å; F317-F319 WeakPolarHBondContact O-CE2 3.31Å
318T96.3Very high76.9Confident64 Ų6474.4 Ų74.439%0.39345%0.454SS..EExtended strand (participates in β ladder)trans-95125.5168-57.60000109.8V271 I272 N274V271-T318 CarbonylContact C-O 3.45Å; V271-T318 VanDerWaalsContact CA-O 3.3Å; V271-T318 WeakPolarHBondContact CA-O 3.39Å; I272-T318 PolarHBondContact N-O 3Å; I272-T318 PolarHBondContact O-N 3Å; N274-T318 PolarHBondContact ND2-OG1 3.1Å; N274-T318 PolarHBondContact OD1-OG1 3.45Å
319F93.3Very high73.9Confident71 Ų7179.7 Ų79.731%0.31149%0.49SS..EExtended strand (participates in β ladder)trans-100.5124.5-178.9-59-95.4000111.1V271 L308 T309 F317V271-F319 HydrophobicContact CG1-CD1 3.71Å; V271-F319 HydrophobicContact CG1-CE1 3.88Å; L308-F319 HydrophobicContact CB-CE1 3.93Å; L308-F319 HydrophobicContact CB-CZ 3.91Å; T309-F319 WeakPolarHBondContact OG1-CE1 3.49Å; T309-F319 WeakPolarHBondContact OG1-CZ 3.47Å; F317-F319 HydrophobicContact CB-CE2 3.95Å; F317-F319 HydrophobicContact CB-CZ 3.94Å; F317-F319 WeakPolarHBondContact O-CE2 3.31Å
320Q86.5Confident71Confident66 Ų6682.5 Ų82.531%0.30851%0.511SS..EExtended strand (participates in β ladder)trans-99.7138.9177.6-65.3-177.8-29.600111.3Q270Q270-Q320 HydrophobicContact CB-CB 4.14Å; Q270-Q320 PolarHBondContact O-N 2.86Å
321P67.8Low68.2Low107 Ų10782.3 Ų82.370%0.69553%0.526SS*.PPolyproline II helixtrans-63147.8173.526-31.7000110.3G323P321-G323 PolarHBondContact O-N 2.93Å
322P57.7Low65.2Low105 Ų10591.5 Ų91.568%0.68256%0.564SS**SBendtrans-68.697.1177.225.5-30.9000110.1
323G51.1Low62.5Low76 Ų7692.5 Ų92.578%0.78458%0.577SS**  trans163.194.817200000117P321P321-G323 PolarHBondContact O-N 2.93Å
324G41.4Very low59.9Low64 Ų64101.6 Ų101.666%0.6662%0.617SS**  trans-170.5123.9159.300000108.4C326G324-C326 PolarHBondContact O-N 3.5Å; G324-C326 VanDerWaalsContact O-N 3.17Å
325S45.1Very low57.8Low129 Ų129101.6 Ų101.690%0.90262%0.617SS**  trans-54.9115.6-170.751.40000113.3
326C36.1Very low56.4Low120 Ų12099.4 Ų99.481%0.81161%0.611SS**  trans-127.1137.9158.1-92.90000108.4G324G324-C326 PolarHBondContact O-N 3.5Å; G324-C326 VanDerWaalsContact O-N 3.17Å
327E35Very low55.7Low169 Ų169100.7 Ų100.779%0.7962%0.62SS**  trans-50.2150.4178.3-66.7178.8152.900112.2C329E327-C329 PolarHBondContact O-N 3.49Å
328P40.5Very low55.4Low138 Ų138101.6 Ų101.690%0.89662%0.624SS**  trans-75.676.4-17832.1-33.1000110.4
329C33.6Very low55.3Low112 Ų112100.5 Ų100.576%0.75762%0.616SS**  trans-91.5106.2163.7-90.60000109.9E327E327-C329 PolarHBondContact O-N 3.49Å
330C35.2Very low55.3Low121 Ų12197.1 Ų97.182%0.81860%0.601SS**SBendtrans77.2105.5151.7-61.10000118.7
331A36.3Very low55.7Low89 Ų8995.4 Ų95.474%0.73659%0.593SS**  trans54.1113.3151.400000117.8P333A331-P333 WeakPolarHBondContact O-CD 3.48Å; A331-P333 VanDerWaalsContact O-N 3.09Å
332K35.4Very low56.9Low202 Ų20294.3 Ų94.388%0.87858%0.581SS**  trans-53.2114.5158.2-66.5177.6-179.8177.20108K334K332-K334 PolarHBondContact O-N 3.25Å
333P40.2Very low58.5Low69 Ų6990 Ų9045%0.44855%0.552SS.*  trans-74.4101.3171.8-1.619.1000105.8A331 A335A331-P333 WeakPolarHBondContact O-CD 3.48Å; A331-P333 VanDerWaalsContact O-N 3.09Å; P333-A335 PolarHBondContact O-N 3.03Å
334K42.4Very low60.3Low191 Ų19186.7 Ų86.783%0.8352%0.517SS*.  trans-70.2119.4146.4-77.7-177.7175.8-178.20103.9K332 D336K332-K334 PolarHBondContact O-N 3.25Å; K334-D336 PolarHBondContact O-N 3.4Å
335A51.3Low62.5Low34 Ų3487 Ų8728%0.28151%0.51SS..  trans-65.183.7166.300000107P333P333-A335 PolarHBondContact O-N 3.03Å
336D66.4Low64.5Low134 Ų13487.6 Ų87.672%0.71749%0.492SS*.  trans-73126.1171-146.17.6000105.9H289 K334 M338H289-D336 PolarHBondContact CE1-O 3.07Å; K334-D336 PolarHBondContact O-N 3.4Å; D336-M338 PolarHBondContact O-N 3.06Å
337T81.7Confident66.3Low45 Ų4584.9 Ų84.928%0.27647%0.469SS..  trans-61114.8-174.8-50.90000109.6W212 L216 Q226 D339W212-T337 HydrophobicContact CZ3-CG2 4.19Å; L216-T337 HydrophobicContact CD1-CG2 3.72Å; L216-T337 HydrophobicContact CD2-CG2 3.84Å; L216-T337 HydrophobicContact CG-CG2 4.43Å; Q226-T337 PolarHBondContact NE2-OG1 3.34Å; T337-D339 PolarHBondContact O-N 3.42Å
338M90.3Very high67.5Low28 Ų2879.5 Ų79.514%0.13846%0.459CS..  trans-63.9125.2178.9-175.4105.8-62.600110.4L229 D336 L343L229-M338 HydrophobicContact CD2-CB 4.14Å; L229-M338 HydrophobicContact CD2-CG 3.9Å; D336-M338 PolarHBondContact O-N 3.06Å; M338-L343 HydrophobicContact CG-CB 4.07Å; M338-L343 HydrophobicContact SD-CB 4.48Å; M338-L343 HydrophobicContact SD-CD1 4.47Å
339D94.1Very high67.8Low41 Ų4178 Ų7822%0.21945%0.448CS..  trans-68.4124.8170.1-172-42.9000109.2W212 T337 F341 D342 L343W212-D339 HydrophobicContact CH2-CB 4.21Å; W212-D339 HydrophobicContact CZ2-CB 4.01Å; W212-D339 WeakPolarHBondContact CZ2-OD2 3.46Å; T337-D339 PolarHBondContact O-N 3.42Å; D339-F341 PolarHBondContact O-N 3.22Å; D339-F341 VanDerWaalsContact OD1-CB 3.28Å; D339-F341 WeakPolarHBondContact OD1-CB 3.44Å; D339-F341 WeakPolarHBondContact OD1-CD2 3.38Å; D339-F341 PolarHBondContact OD1-N 3.28Å; D339-D342 HydrophobicContact CB-CB 4.12Å; D339-D342 WeakPolarHBondContact O-CB 3.42Å; D339-D342 PolarHBondContact O-N 2.72Å; D339-D342 VanDerWaalsContact O-N 3.14Å; D339-L343 PolarHBondContact O-N 3.26Å
340P93.9Very high68.2Low0 Ų083.2 Ų83.20%045%0.451CS..Hα-helixtrans-64.6-25.7-179.427.5-35.3000113.6W212 L229 A232 V252 A254 A344W212-P340 HydrophobicContact CB-CG 3.85Å; W212-P340 HydrophobicContact CD2-CG 4.15Å; W212-P340 HydrophobicContact CG-CG 3.85Å; L229-P340 HydrophobicContact CD1-CB 4.23Å; L229-P340 HydrophobicContact CD2-CB 3.91Å; A232-P340 HydrophobicContact CB-CB 4.09Å; A232-P340 WeakPolarHBondContact CB-O 3.43Å; V252-P340 HydrophobicContact CG2-CB 3.92Å; V252-P340 HydrophobicContact CG2-CG 4.02Å; A254-P340 HydrophobicContact CB-CB 4.12Å; P340-A344 VanDerWaalsContact O-CB 3.3Å; P340-A344 WeakPolarHBondContact O-CB 3.37Å; P340-A344 PolarHBondContact O-N 2.96Å
341F94.4Very high68.1Low30 Ų3081 Ų8113%0.13245%0.449CS..Hα-helixtrans-70.1-37.5173.6-65.8-90.7000111.7S188 W212 K250 V252 D339 S345S188-F341 VanDerWaalsContact N-CZ 3.33Å; W212-F341 AromaticContact CD1-CE2 3.76Å; K250-F341 HydrophobicContact CB-CD1 4.17Å; K250-F341 HydrophobicContact CB-CE1 3.56Å; K250-F341 HydrophobicContact CB-CZ 4.39Å; K250-F341 WeakPolarHBondContact O-CZ 3.45Å; V252-F341 HydrophobicContact CB-CE1 4.27Å; V252-F341 HydrophobicContact CB-CZ 4.39Å; V252-F341 HydrophobicContact CG1-CD1 3.45Å; V252-F341 VanDerWaalsContact CG1-CD1 3.45Å; V252-F341 HydrophobicContact CG1-CD2 4.49Å; V252-F341 HydrophobicContact CG1-CE1 3.55Å; V252-F341 HydrophobicContact CG1-CG 3.95Å; V252-F341 HydrophobicContact CG1-CZ 4.11Å; V252-F341 HydrophobicContact CG2-CD1 4.37Å; V252-F341 HydrophobicContact CG2-CD2 4.13Å; V252-F341 HydrophobicContact CG2-CE1 4.01Å; V252-F341 HydrophobicContact CG2-CE2 3.73Å; V252-F341 HydrophobicContact CG2-CG 4.41Å; V252-F341 HydrophobicContact CG2-CZ 3.66Å; D339-F341 PolarHBondContact O-N 3.22Å; D339-F341 VanDerWaalsContact OD1-CB 3.28Å; D339-F341 WeakPolarHBondContact OD1-CB 3.44Å; D339-F341 WeakPolarHBondContact OD1-CD2 3.38Å; D339-F341 PolarHBondContact OD1-N 3.28Å; F341-S345 WeakPolarHBondContact O-CB 3.34Å; F341-S345 PolarHBondContact O-N 3.3Å; F341-S345 VanDerWaalsContact O-N 3.09Å; F341-S345 PolarHBondContact O-OG 3.3Å
342D93.5Very high67.8Low84 Ų8479.8 Ų79.845%0.44945%0.445SS..Hα-helixtrans-67.7-43.3174.3-74.3-14.9000110.9D339 S345 R346D339-D342 HydrophobicContact CB-CB 4.12Å; D339-D342 WeakPolarHBondContact O-CB 3.42Å; D339-D342 PolarHBondContact O-N 2.72Å; D339-D342 VanDerWaalsContact O-N 3.14Å; D342-S345 PolarHBondContact O-N 2.78Å; D342-R346 WeakPolarHBondContact O-CG 3.37Å; D342-R346 PolarHBondContact O-N 3.12Å
343L90.9Very high67.5Low15 Ų1575.5 Ų75.58%0.07944%0.439CS..Hα-helixtrans-61.9-46.8176.6-177.662.5000111.4L229 A232 C288 M338 D339 S345 R346 L347L229-L343 HydrophobicContact CD1-CD2 4.33Å; L229-L343 HydrophobicContact CD2-CB 3.96Å; L229-L343 HydrophobicContact CD2-CD2 3.48Å; L229-L343 VanDerWaalsContact CD2-CD2 3.48Å; L229-L343 HydrophobicContact CD2-CG 4.36Å; L229-L343 HydrophobicContact CG-CD2 3.6Å; A232-L343 HydrophobicContact CB-CB 4.18Å; A232-L343 HydrophobicContact CB-CD2 4.11Å; A232-L343 HydrophobicContact CB-CG 4.26Å; C288-L343 HydrophobicContact CB-CD1 3.98Å; C288-L343 HydrophobicContact CB-CD2 3.74Å; M338-L343 HydrophobicContact CG-CB 4.07Å; M338-L343 HydrophobicContact SD-CB 4.48Å; M338-L343 HydrophobicContact SD-CD1 4.47Å; D339-L343 PolarHBondContact O-N 3.26Å; L343-S345 VanDerWaalsContact C-N 3.26Å; L343-S345 PolarHBondContact O-N 2.84Å; L343-R346 WeakPolarHBondContact O-CB 3.14Å; L343-R346 PolarHBondContact O-N 3.23Å; L343-R346 VanDerWaalsContact O-N 3.11Å; L343-L347 HydrophobicContact CD1-CD1 4.24Å; L343-L347 HydrophobicContact CD1-CG 4.26Å; L343-L347 HydrophobicContact CG-CD1 4.01Å; L343-L347 HydrophobicContact CG-CG 4.42Å; L343-L347 WeakPolarHBondContact O-CG 3.2Å; L343-L347 PolarHBondContact O-N 3.09Å
344A88.1Confident67Low5 Ų578.4 Ų78.44%0.04146%0.459CS..Hα-helixtrans-58.5-39.8178.100000111.7A232 V234 V252 P340 L347 G348A232-A344 HydrophobicContact CB-CB 4.02Å; A232-A344 WeakPolarHBondContact O-CA 3.3Å; V234-A344 HydrophobicContact CG2-CB 3.86Å; V252-A344 HydrophobicContact CG1-CB 4.09Å; P340-A344 VanDerWaalsContact O-CB 3.3Å; P340-A344 WeakPolarHBondContact O-CB 3.37Å; P340-A344 PolarHBondContact O-N 2.96Å; A344-L347 PolarHBondContact O-N 3.07Å; A344-G348 PolarHBondContact O-N 3.5Å
345S88.3Confident66.4Low72 Ų7274.2 Ų74.250%0.50345%0.454SS..Hα-helixtrans-64.9-39.4176.2-58.60000112.6F341 D342 L343 T349F341-S345 WeakPolarHBondContact O-CB 3.34Å; F341-S345 PolarHBondContact O-N 3.3Å; F341-S345 VanDerWaalsContact O-N 3.09Å; F341-S345 PolarHBondContact O-OG 3.3Å; D342-S345 PolarHBondContact O-N 2.78Å; L343-S345 VanDerWaalsContact C-N 3.26Å; L343-S345 PolarHBondContact O-N 2.84Å; S345-T349 PolarHBondContact O-N 3.45Å; S345-T349 PolarHBondContact O-OG1 3.26Å
346R86Confident65.3Low140 Ų14079.1 Ų79.153%0.52848%0.481SS..Hα-helixtrans-68.5-36176.4-69171.6-171.4-1683.6112.8D342 L343 T349D342-R346 WeakPolarHBondContact O-CG 3.37Å; D342-R346 PolarHBondContact O-N 3.12Å; L343-R346 WeakPolarHBondContact O-CB 3.14Å; L343-R346 PolarHBondContact O-N 3.23Å; L343-R346 VanDerWaalsContact O-N 3.11Å; R346-T349 WeakPolarHBondContact CA-OG1 3.4Å; R346-T349 PolarHBondContact O-OG1 3.49Å
347L75.8Confident63.5Low63 Ų6382.4 Ų82.433%0.3349%0.489SS..Hα-helixtrans-75.5-40.9178.5-68.1175.7000111.5L343 A344 T349 R350L343-L347 HydrophobicContact CD1-CD1 4.24Å; L343-L347 HydrophobicContact CD1-CG 4.26Å; L343-L347 HydrophobicContact CG-CD1 4.01Å; L343-L347 HydrophobicContact CG-CG 4.42Å; L343-L347 WeakPolarHBondContact O-CG 3.2Å; L343-L347 PolarHBondContact O-N 3.09Å; A344-L347 PolarHBondContact O-N 3.07Å; L347-T349 VanDerWaalsContact C-N 3.3Å; L347-T349 PolarHBondContact O-N 3.12Å; L347-R350 PolarHBondContact O-N 3.34Å
348G59.1Low61Low57 Ų5785 Ų8559%0.58851%0.509SS*.Hα-helixtrans-62.5-33.7176.100000113.8A344 G351A344-G348 PolarHBondContact O-N 3.5Å; G348-G351 PolarHBondContact O-N 3.37Å
349T47.1Very low58.2Low106 Ų10688.5 Ų88.565%0.6554%0.542SS*.Hα-helixtrans-72.9-27.3177.237.70000113.6S345 R346 L347S345-T349 PolarHBondContact O-N 3.45Å; S345-T349 PolarHBondContact O-OG1 3.26Å; R346-T349 WeakPolarHBondContact CA-OG1 3.4Å; R346-T349 PolarHBondContact O-OG1 3.49Å; L347-T349 VanDerWaalsContact C-N 3.3Å; L347-T349 PolarHBondContact O-N 3.12Å
350R42.3Very low55.3Low222 Ų22293.9 Ų93.984%0.83857%0.571SS**Hα-helixtrans-74-23.2175.5-75.4-174176.6-159.50.6113.6L347L347-R350 PolarHBondContact O-N 3.34Å
351G33.7Very low52.4Low75 Ų7599.7 Ų99.777%0.77361%0.61SS**THydrogen-bonded Turntrans-82.6-6.617700000115.3G348G348-G351 PolarHBondContact O-N 3.37Å
352G28.4Very low49.5Very low62 Ų62104.5 Ų104.564%0.63965%0.646SS**SBendtrans-106.315.3-167.100000116.9
353C28.7Very low47Very low112 Ų112113.9 Ų113.976%0.75768%0.683SS**  trans-125.464.8-174-126.50000113.4
354C30.8Very low44.8Very low130 Ų130118.9 Ų118.988%0.87871%0.713SS**  trans-13563.6154-89.40000108.7T356C354-T356 PolarHBondContact O-N 3.48Å
355S29.2Very low42.5Very low103 Ų103124.8 Ų124.872%0.7275%0.749SS**  trans-77.8107.4157.848.60000107.7K357S355-K357 PolarHBondContact O-N 3.13Å
356T29.1Very low40Very low137 Ų137127.8 Ų127.884%0.8476%0.762SS**  trans-54.3104.5165.937.30000108.6C354 S358C354-T356 PolarHBondContact O-N 3.48Å; T356-S358 PolarHBondContact O-N 3.13Å; T356-S358 VanDerWaalsContact O-N 3.07Å
357K28Very low37.3Very low203 Ų203127.1 Ų127.188%0.88378%0.776SS**  trans-62.4110.4161.2-77.4-174.3176.4-179.20107.1S355 A359S355-K357 PolarHBondContact O-N 3.13Å; K357-A359 PolarHBondContact O-N 3.45Å
358S29.6Very low34.9Very low101 Ų101131.1 Ų131.171%0.70680%0.804SS**  trans-54.6116.7161.746.20000108.2T356 D360T356-S358 PolarHBondContact O-N 3.13Å; T356-S358 VanDerWaalsContact O-N 3.07Å; S358-D360 PolarHBondContact O-N 3.32Å; S358-D360 VanDerWaalsContact O-N 3.15Å
359A31.7Very low33.3Very low100 Ų100136 Ų13683%0.82682%0.818SS**  trans-69.8103.5166.600000107.6K357K357-A359 PolarHBondContact O-N 3.45Å
360D32.1Very low32.3Very low154 Ų154138.1 Ų138.182%0.82483%0.83SS**PPolyproline II helixtrans-68131.5166.5-91.2-35000109.7S358S358-D360 PolarHBondContact O-N 3.32Å; S358-D360 VanDerWaalsContact O-N 3.15Å
361C33.1Very low31.5Very low123 Ų123131.7 Ų131.783%0.83183%0.83SS**PPolyproline II helixtrans-60.5132.9178.1-77.80000112
362C34.5Very low31.3Very low131 Ų131136.4 Ų136.489%0.88583%0.834SS**PPolyproline II helixtrans-66.8130.3154.6-67.20000109.8
363K41Very low31.6Very low281 Ų281143.2 Ų143.2100%1.22285%0.852SS**  trans-116.30150.3-93.3-170.4177.3179.70108.3

Retrieved 363 of 363 residues in 619.5 ms (Link to these results)

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